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authorChristoph Helma <helma@in-silico.ch>2020-10-13 11:25:51 +0200
committerChristoph Helma <helma@in-silico.ch>2020-10-13 11:25:51 +0200
commit59509099257225b068a13626d3a42eac2f4244ab (patch)
treefd1ad3fbbaa96d5926e1bc2ef8a15146f7660b56 /models/mutagenicity
parent791398c12af4f8290095425dac87e3c852905ab6 (diff)
mutagenicity downloads moved, PaDEL metadata
Diffstat (limited to 'models/mutagenicity')
-rw-r--r--models/mutagenicity/download/Mutagenicity_N6512.csv (renamed from models/mutagenicity/parts/hansen-original.csv)0
-rw-r--r--models/mutagenicity/download/efsa.csv695
-rw-r--r--models/mutagenicity/download/efsa.tsv18425
-rwxr-xr-xmodels/mutagenicity/download/efsa_classification.rb1
-rw-r--r--models/mutagenicity/download/hansen.csv (renamed from models/mutagenicity/parts/hansen.csv)0
-rwxr-xr-x[-rw-r--r--]models/mutagenicity/download/hansen_convert.rb0
-rw-r--r--models/mutagenicity/metadata.json1
-rw-r--r--models/mutagenicity/parts/cas_4337.sdf306261
-rw-r--r--models/mutagenicity/parts/cas_4337.zipbin1793634 -> 0 bytes
-rw-r--r--models/mutagenicity/parts/efsa.csv1
-rw-r--r--models/mutagenicity/parts/efsa.tsv0
-rw-r--r--models/mutagenicity/parts/efsa.xlsbin11981312 -> 0 bytes
-rw-r--r--models/mutagenicity/parts/toxicity_data.xlsxbin67506 -> 0 bytes
13 files changed, 19122 insertions, 306262 deletions
diff --git a/models/mutagenicity/parts/hansen-original.csv b/models/mutagenicity/download/Mutagenicity_N6512.csv
index 85f86a5..85f86a5 100644
--- a/models/mutagenicity/parts/hansen-original.csv
+++ b/models/mutagenicity/download/Mutagenicity_N6512.csv
diff --git a/models/mutagenicity/download/efsa.csv b/models/mutagenicity/download/efsa.csv
new file mode 100644
index 0000000..e3aa67a
--- /dev/null
+++ b/models/mutagenicity/download/efsa.csv
@@ -0,0 +1,695 @@
+ID,SMILES,Mutagenicity
+1214-39-7,c1ccc(cc1)CNc1ncnc2c1[nH]cn2,non-mutagenic
+148-24-3,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,mutagenic
+148-24-3,Oc1cccc2c1nccc2,mutagenic
+71751-41-2,CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+101007-06-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,non-mutagenic
+150114-71-9,Clc1cc(N)c(c(n1)C(=O)O)Cl,non-mutagenic
+120162-55-2,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+120162-55-2,COc1cc(OC)nc(n1)N,non-mutagenic
+120162-55-2,Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,non-mutagenic
+94-75-7,Clc1ccc(c(c1)Cl)O,non-mutagenic
+94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,non-mutagenic
+83055-99-6,O=C1NS(=O)(=O)Cc2c1cccc2,non-mutagenic
+83055-99-6,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,non-mutagenic
+83055-99-6,COC(=O)c1ccccc1CS(=O)(=O)N,non-mutagenic
+25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,non-mutagenic
+177406-68-7,CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,mutagenic
+55179-31-2,OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,non-mutagenic
+581809-46-3,Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,non-mutagenic
+28772-56-7,Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,non-mutagenic
+116255-48-2,BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,non-mutagenic
+41483-43-6,CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,non-mutagenic
+41483-43-6,CCCCc1c(=O)nc([nH]c1C)NCC,non-mutagenic
+69327-76-0,CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,non-mutagenic
+95465-99-9,CCOP(=O)(SC(CC)C)SC(CC)C,non-mutagenic
+133-06-2,ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,mutagenic
+571-58-4,Cc1ccc(c2c1cccc2)C,non-mutagenic
+3100-04-7,CC1=CC1,non-mutagenic
+97-53-0,C=CCc1ccc(c(c1)OC)O,non-mutagenic
+86-86-2,NC(=O)Cc1cccc2c1cccc2,non-mutagenic
+86-87-3,OC(=O)Cc1cccc2c1cccc2,non-mutagenic
+86-87-3,[O-]C(=O)Cc1cccc2c1cccc2.[Na+],non-mutagenic
+94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+71751-41-2,COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,non-mutagenic
+71751-41-2,CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+57960-19-7,CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,non-mutagenic
+57960-19-7,CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,non-mutagenic
+135158-54-2,CSC(=O)c1cccc2c1snn2,non-mutagenic
+135158-54-2,OC(=O)c1cccc2c1snn2,mutagenic
+135158-54-2,OC(=O)c1ccc(c2c1snn2)O,non-mutagenic
+135158-54-2,Oc1cc2nnsc2c(c1)C(=O)O,non-mutagenic
+74070-46-5,Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,non-mutagenic
+101007-06-1,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,non-mutagenic
+101007-06-1,OC(=O)/C=C\C1C(C1(C)C)C(=O)O,non-mutagenic
+7784-26-1,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],non-mutagenic
+20859-73-8,[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],non-mutagenic
+12057-74-8,P,non-mutagenic
+20859-73-8,[Al]#P,non-mutagenic
+120923-37-7,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+120923-37-7,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+120923-37-7,Oc1cc(=O)[nH]c(n1)N,non-mutagenic
+16118-49-3,CCNC(=O)C(OC(=O)Nc1ccccc1)C,non-mutagenic
+348635-87-0,Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,non-mutagenic
+348635-87-0,Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,non-mutagenic
+131860-33-8,CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,non-mutagenic
+131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,non-mutagenic
+50-81-7,OCC(C1OC(=O)C(=C1O)O)O,non-mutagenic
+11141-17-6,C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,non-mutagenic
+1861-40-1,CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,non-mutagenic
+120162-55-2,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+82560-54-1,CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,non-mutagenic
+83055-99-6,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,non-mutagenic
+25057-89-0,CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],non-mutagenic
+25057-89-0,CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,non-mutagenic
+65731-84-2,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,mutagenic
+42576-02-3,COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,non-mutagenic
+71626-11-4,COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+98243-83-5,COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+71626-11-4,CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)O,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)C(O)C,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)C(=O)C,mutagenic
+177406-68-7,CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,non-mutagenic
+105512-06-9,C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,non-mutagenic
+81777-89-1,O=C1N(OCC1(C)C)Cc1ccccc1Cl,non-mutagenic
+81777-89-1,O=C1NOCC1(C)C,non-mutagenic
+51338-27-3,COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+64902-72-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,non-mutagenic
+64902-72-3,Clc1ccccc1S(=O)(=O)N,non-mutagenic
+64902-72-3,O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,non-mutagenic
+1702-17-6,Clc1ccc(c(n1)C(=O)O)Cl,non-mutagenic
+122008-85-9,CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,non-mutagenic
+35367-38-5,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,non-mutagenic
+16118-49-3,CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,non-mutagenic
+5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,non-mutagenic
+5234-68-4,O=S1CCOC(=C1C(=O)N)C,non-mutagenic
+15165-67-0,OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+83164-33-4,Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+83164-33-4,OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+66215-27-8,Nc1nc(NC2CC2)nc(n1)N,non-mutagenic
+99-30-9,[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,mutagenic
+7173-51-5,CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],non-mutagenic
+333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,non-mutagenic
+74115-24-5,Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,non-mutagenic
+57966-95-7,CCNC(=O)NC(=O)/C(=N/OC)/C#N,non-mutagenic
+85-00-7,c1cc[n+]2c(-c3cccc[n+]3CC2)c1,non-mutagenic
+85-00-7,O=C1NCC[n+]2c1cccc2,non-mutagenic
+31717-87-0,CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,non-mutagenic
+2439-10-3,CC(=O)O.CCCCCCCCCCCCNC(=N)N,non-mutagenic
+106325-08-0,Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,non-mutagenic
+1918-00-9,COc1c(Cl)ccc(c1C(=O)O)Cl,non-mutagenic
+1918-00-9,COc1c(Cl)cc(c(c1C(=O)O)Cl)O,non-mutagenic
+66230-04-4,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+66230-04-4,N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,non-mutagenic
+66230-04-4,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+2593-15-9,CCOc1snc(n1)C(Cl)(Cl)Cl,non-mutagenic
+2593-15-9,CCOc1nc(ns1)C(=O)O,non-mutagenic
+180409-60-3,O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,non-mutagenic
+180409-60-3,N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,NC(=N)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,NC(=O)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,non-mutagenic
+180409-60-3,O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,non-mutagenic
+180409-60-3,OC(=O)C1CC1,non-mutagenic
+180409-60-3,OCC1CC1,non-mutagenic
+94361-06-5,CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,non-mutagenic
+94361-06-5,OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,non-mutagenic
+94361-06-5,OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,non-mutagenic
+121552-61-2,Cc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+121552-61-2,Cc1cc(nc(n1)N)C1CC1,non-mutagenic
+121552-61-2,Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,non-mutagenic
+121552-61-2,OCc1nc(N)nc(c1)C1CC1,non-mutagenic
+121552-61-2,Cc1cc(nc(n1)O)C1CC1,non-mutagenic
+121552-61-2,OCc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+110488-70-5,COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CCl,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)C(=O)O,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+50563-36-5,[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,non-mutagenic
+50563-36-5,COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+50563-36-5,OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,non-mutagenic
+87130-20-9,CCOc1cc(ccc1OCC)NC(=O)OC(C)C,non-mutagenic
+80844-07-1,CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+80844-07-1,CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+149961-52-4,CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,non-mutagenic
+149961-52-4,CO/N=C(\c1ccccc1CO)/C(=O)NC,non-mutagenic
+13708-85-5,[O-]P(=O)=O.[Na+].[Na+],non-mutagenic
+82657-04-3,O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,non-mutagenic
+82560-54-1,CNC(=O)Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+82560-54-1,Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+1563-66-2,CNC(=O)Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+122-39-4,c1ccc(cc1)Nc1ccccc1,non-mutagenic
+125401-92-5,COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],non-mutagenic
+125401-92-5,COc1cc(OC)[nH]c(=O)n1,non-mutagenic
+125401-92-5,COc1cc(=O)[nH]c(=O)[nH]1,non-mutagenic
+125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,non-mutagenic
+125401-92-5,COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],non-mutagenic
+125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,non-mutagenic
+125401-92-5,COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,mutagenic
+99129-21-2,CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,non-mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,non-mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,mutagenic
+99129-21-2,CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,non-mutagenic
+97780-06-8,CCOc1nc(NC(=O)N)nc(n1)NC,non-mutagenic
+97780-06-8,CCOc1nc(NC)nc(n1)N,non-mutagenic
+97780-06-8,CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+97780-06-8,CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+97780-06-8,COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,non-mutagenic
+97780-06-8,CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+97780-06-8,OC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+97780-06-8,CCOc1nc(N)nc(n1)N,non-mutagenic
+13194-48-4,CCCSP(=O)(SCCC)OCC,non-mutagenic
+3347-22-6,N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,non-mutagenic
+1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,non-mutagenic
+1861-32-1,OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+736994-63-1,N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,non-mutagenic
+736994-63-1,CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,non-mutagenic
+736994-63-1,Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,non-mutagenic
+736994-63-1,CNC(=O)C1=NN=C([CH]1)Br,non-mutagenic
+736994-63-1,N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+106-24-1,OCC=C(CCC=C(C)C)C,non-mutagenic
+500008-45-7,CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+55285-14-8,CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,non-mutagenic
+1698-60-8,Nc1cnn(c(=O)c1Cl)c1ccccc1,mutagenic
+1698-60-8,Nc1cn[nH]c(=O)c1Cl,non-mutagenic
+1698-60-8,Cn1ncc(c(c1=O)Cl)N,non-mutagenic
+143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,non-mutagenic
+143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+143807-66-3,O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+143807-66-3,Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+999-81-5,ClCC[N+](C)(C)C.[Cl-],non-mutagenic
+400882-07-7,COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,non-mutagenic
+400882-07-7,OC(=O)c1ccccc1C(F)(F)F,non-mutagenic
+400882-07-7,NC(=O)c1ccccc1C(F)(F)F,mutagenic
+128639-02-1,CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+128639-02-1,Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,non-mutagenic
+128639-02-1,OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,non-mutagenic
+128639-02-1,OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,FC(n1c(C)n[nH]c1=O)F,non-mutagenic
+128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,non-mutagenic
+128639-02-1,COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,non-mutagenic
+330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,non-mutagenic
+330-54-1,CN(C(=O)Nc1ccc(cc1)Cl)C,non-mutagenic
+330-54-1,Clc1cccc(c1)NC(=O)N(C)C,non-mutagenic
+330-54-1,CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,non-mutagenic
+101205-02-1,OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,non-mutagenic
+101205-02-1,OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,non-mutagenic
+26225-79-6,CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,non-mutagenic
+26225-79-6,OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,non-mutagenic
+2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,non-mutagenic
+2921-88-2,Clc1[nH]c(=O)c(cc1Cl)Cl,non-mutagenic
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,mutagenic
+10605-21-7,Nc1cc2nc3ccccc3nc2cc1N,mutagenic
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cc(cc2)O,non-mutagenic
+120928-09-8,CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,non-mutagenic
+120928-09-8,CC(c1ccc(cc1)C(C)(C)C)O,non-mutagenic
+120928-09-8,O=c1nc[nH]c2c1cccc2,non-mutagenic
+63-25-2,CNC(=O)Oc1cccc2c1cccc2,non-mutagenic
+134098-61-6,Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,non-mutagenic
+533-74-4,CN1CN(C)CSC1=S,non-mutagenic
+533-74-4,CN=C=S,non-mutagenic
+79241-46-6,CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,non-mutagenic
+79241-46-6,O=c1ccc(c[nH]1)C(F)(F)F,mutagenic
+61-82-5,Nc1ncn[nH]1,mutagenic
+131341-86-1,N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,OC(=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,NC(=O)C(c1cccc2c1OC(O2)(F)F)O,non-mutagenic
+131341-86-1,N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,non-mutagenic
+90-43-7,Oc1ccccc1c1ccccc1,mutagenic
+77-06-5,OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,non-mutagenic
+7440-50-8,ClOCl.[Cu+2],mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],mutagenic
+7440-50-8,[Cu].[Cu].O,non-mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,non-mutagenic
+7440-50-8,[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],non-mutagenic
+7440-50-8,Cl[Cu]Cl,non-mutagenic
+101463-69-8,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+101463-69-8,NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+101463-69-8,Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,mutagenic
+2164-17-2,O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+2164-17-2,CNC(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+62-73-7,COP(=O)(OC=C(Cl)Cl)OC,mutagenic
+62-73-7,[O-]P(=O)(OC)O,non-mutagenic
+119446-68-3,CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,non-mutagenic
+119446-68-3,c1ncn[nH]1,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,non-mutagenic
+60-51-5,CNC(=O)CSP(=S)(OC)OC,mutagenic
+60-51-5,CNC(=O)CSP(=O)(OC)OC,mutagenic
+83121-18-0,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+83121-18-0,Fc1c(N)cc(c(c1Cl)F)Cl,non-mutagenic
+83121-18-0,NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+77182-82-2,[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],non-mutagenic
+77182-82-2,CC(=O)NC(C(=O)O)CCP(=O)(O)C,non-mutagenic
+77182-82-2,OC(=O)CCP(=O)(O)C,non-mutagenic
+77182-82-2,OC(=O)CP(=O)(O)C,non-mutagenic
+100784-20-1,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,non-mutagenic
+100784-20-1,OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,non-mutagenic
+100784-20-1,COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,non-mutagenic
+112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,non-mutagenic
+112281-77-3,OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+112281-77-3,OC(=O)Cn1cncn1,non-mutagenic
+112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,non-mutagenic
+239110-15-7,Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,mutagenic
+239110-15-7,NC(=O)c1c(Cl)cccc1Cl,non-mutagenic
+239110-15-7,OC(=O)c1ncc(cc1Cl)C(F)(F)F,non-mutagenic
+239110-15-7,NC(=O)c1c(Cl)ccc(c1Cl)O,non-mutagenic
+239110-15-7,CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,non-mutagenic
+239110-15-7,OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+239110-15-7,Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+335104-84-2,O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+335104-84-2,OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+335104-84-2,O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,non-mutagenic
+335104-84-2,OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,non-mutagenic
+335104-84-2,O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,non-mutagenic
+907204-31-3,Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,non-mutagenic
+907204-31-3,Cn1nc(c(c1)C(=O)O)C(F)F,non-mutagenic
+907204-31-3,FC(C1=C(C=N[N]1)C(=O)O)F,non-mutagenic
+907204-31-3,OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,non-mutagenic
+79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,non-mutagenic
+79277-27-3,COc1nc(C)nc(n1)N,non-mutagenic
+79277-27-3,OC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+79277-27-3,NC(=O)Nc1nc(C)nc(n1)C(=O)C,non-mutagenic
+79277-27-3,O=C1NS(=O)(=O)c2c1scc2,non-mutagenic
+79277-27-3,Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+79277-27-3,COC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+153719-23-4,[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,non-mutagenic
+153719-23-4,[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,non-mutagenic
+153719-23-4,CN1COCN(C1=N)Cc1cnc(s1)Cl,non-mutagenic
+10605-21-7,Nc1nc2c([nH]1)cccc2,non-mutagenic
+133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,mutagenic
+145701-23-1,COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,non-mutagenic
+145701-23-1,Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,non-mutagenic
+145701-23-1,OC(=O)c1n[nH]c(n1)S(=O)(=O)N,non-mutagenic
+145701-23-1,NS(=O)(=O)c1ncn[nH]1,non-mutagenic
+82560-54-1,Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+116255-48-2,Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,non-mutagenic
+131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,non-mutagenic
+98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+98243-83-5,COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,non-mutagenic
+98243-83-5,OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+69327-76-0,CC(N1C(=O)SCN(C1=O)c1ccccc1)C,non-mutagenic
+69327-76-0,CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+69327-76-0,CC(NC(=O)Nc1ccccc1)C,non-mutagenic
+69327-76-0,CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,non-mutagenic
+99129-21-2,CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+99129-21-2,CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+736994-63-1,Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,non-mutagenic
+122008-85-9,C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,non-mutagenic
+35554-44-0,C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,non-mutagenic
+81335-37-7,CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,non-mutagenic
+138261-41-3,[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+125225-28-7,CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,non-mutagenic
+,CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,non-mutagenic
+82558-50-7,CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,non-mutagenic
+,Cc1ccc(cc1)C(N)C,non-mutagenic
+138261-41-3,[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,non-mutagenic
+138261-41-3,[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,non-mutagenic
+138261-41-3,[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,non-mutagenic
+138261-41-3,O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+82558-50-7,CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,non-mutagenic
+82558-50-7,COc1cccc(c1C(=O)N)OC,non-mutagenic
+2164-08-1,O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,non-mutagenic
+7720-78-7,[O-]S(=O)(=O)[O-].[Fe+2],non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,non-mutagenic
+881685-58-1,CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,non-mutagenic
+881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,non-mutagenic
+881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-mutagenic
+133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,non-mutagenic
+108-62-3,CC1OC(C)OC(OC(O1)C)C,non-mutagenic
+3060-89-7,CON(C(=O)Nc1ccc(cc1)Br)C,non-mutagenic
+137641-05-5,Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,non-mutagenic
+34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(C)C,mutagenic
+1918-02-1,OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,non-mutagenic
+95737-68-1,CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,non-mutagenic
+52888-80-9,CCCN(C(=O)SCc1ccccc1)CCC,non-mutagenic
+688046-61-9,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,non-mutagenic
+688046-61-9,[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,non-mutagenic
+96489-71-3,O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,non-mutagenic
+96489-71-3,OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,non-mutagenic
+131-72-6,CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,non-mutagenic
+24307-26-4,C[N+]1(C)CCCCC1.[Cl-],non-mutagenic
+24307-26-4,OC1CC[N+](CC1)(C)C.[Cl-],non-mutagenic
+23135-22-0,CNC(=O)O/N=C(/C(=O)N(C)C)\SC,non-mutagenic
+23135-22-0,CN(C(=O)C#N)C,non-mutagenic
+129630-19-9,CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,non-mutagenic
+16752-77-5,CNC(=O)ON=C(SC)C,non-mutagenic
+220899-03-6,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,non-mutagenic
+127277-53-6,CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],non-mutagenic
+189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,non-mutagenic
+189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cccc2,non-mutagenic
+53112-28-0,Cc1cc(C)nc(n1)Nc1ccccc1,non-mutagenic
+53112-28-0,Cc1cc(C)nc(n1)N,non-mutagenic
+19666-30-9,CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,mutagenic
+2032-65-7,CNC(=O)Oc1cc(C)c(c(c1)C)SC,non-mutagenic
+8003-34-7,C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,non-mutagenic
+41394-05-2,Cc1nnc(c(=O)n1N)c1ccccc1,non-mutagenic
+41394-05-2,Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,non-mutagenic
+374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,non-mutagenic
+374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,non-mutagenic
+103055-07-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,non-mutagenic
+103055-07-8,FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,non-mutagenic
+139528-85-1,COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,non-mutagenic
+139968-49-3,OC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)C(=O)O,non-mutagenic
+422556-08-9,COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+422556-08-9,COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+422556-08-9,COc1nccc(c1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+422556-08-9,COc1nccc(c1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,non-mutagenic
+178928-70-6,Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,non-mutagenic
+178928-70-6,CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,non-mutagenic
+178928-70-6,OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,non-mutagenic
+219714-96-2,COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,non-mutagenic
+219714-96-2,COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,non-mutagenic
+219714-96-2,FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,non-mutagenic
+219714-96-2,FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,non-mutagenic
+55512-33-9,CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+55512-33-9,Clc1nnc(c(c1)O)c1ccccc1,non-mutagenic
+55512-33-9,COc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+94125-34-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+94125-34-5,NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+94125-34-5,FC(CCc1ccccc1S(=O)(=O)N)(F)F,non-mutagenic
+179101-81-6,ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,non-mutagenic
+179101-81-6,O=c1[nH]cc(cc1O)C(F)(F)F,mutagenic
+19044-88-3,CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,non-mutagenic
+91465-08-6,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+91465-08-6,Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+91465-08-6,Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+91465-08-6,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+91465-08-6,N#CC(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+91465-08-6,OCc1cccc(c1)Oc1ccccc1,non-mutagenic
+91465-08-6,OC(=O)C(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+123312-89-0,CC1=NNC(=O)N(C1)N=Cc1cccnc1,non-mutagenic
+123312-89-0,CC1=NNC(=O)N(C1)N,non-mutagenic
+123312-89-0,O=Cc1cccnc1,non-mutagenic
+111479-05-1,O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,non-mutagenic
+25606-41-1,CCCOC(=O)NCCC[NH+](C)C.[Cl-],non-mutagenic
+21087-64-9,CSc1nnc(c(=O)n1N)C(C)(C)C,non-mutagenic
+21087-64-9,O=c1[nH]c(=O)[nH]nc1C(C)(C)C,non-mutagenic
+55219-65-3,NC(C(=O)O)Cc1ncn[nH]1,non-mutagenic
+67747-09-5,CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+67747-09-5,CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+67747-09-5,CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+23103-98-2,CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,non-mutagenic
+23103-98-2,CNc1nc(C)c(c(n1)O)C,non-mutagenic
+23103-98-2,CN(c1nc(C)c(c(n1)O)C)C,non-mutagenic
+29232-93-7,CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,mutagenic
+141112-29-0,O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,non-mutagenic
+141112-29-0,N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,non-mutagenic
+141112-29-0,OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+243973-20-8,CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,non-mutagenic
+243973-20-8,CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+243973-20-8,CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,non-mutagenic
+243973-20-8,CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+66063-05-6,Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,non-mutagenic
+66063-05-6,Clc1ccc(cc1)CNC1CCCC1,non-mutagenic
+2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,non-mutagenic
+2310-17-0,Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,mutagenic
+494793-67-8,CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,non-mutagenic
+494793-67-8,CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,non-mutagenic
+494793-67-8,O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,non-mutagenic
+42874-03-3,CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,mutagenic
+76738-62-0,OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,non-mutagenic
+76738-62-0,OC(C(=O)O)Cn1cncn1,non-mutagenic
+213464-77-8,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,non-mutagenic
+213464-77-8,O=C(c1ccccc1NS(=O)(=O)O)N(C)C,non-mutagenic
+213464-77-8,COc1nc(NC(=O)N)nc(c1)OC,non-mutagenic
+213464-77-8,COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,non-mutagenic
+732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,mutagenic
+,[O-]P([O-])[O-].[K+].[K+].[K+],non-mutagenic
+39148-24-8,[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],non-mutagenic
+39148-24-8,OP(O)O,non-mutagenic
+301-12-2,CCS(=O)CCSP(=O)(OC)OC,mutagenic
+88671-89-0,CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,non-mutagenic
+88671-89-0,N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,non-mutagenic
+67129-08-2,ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,non-mutagenic
+67129-08-2,[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,non-mutagenic
+67129-08-2,CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,non-mutagenic
+67129-08-2,O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+66246-88-6,CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+125116-23-6,OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,non-mutagenic
+104206-82-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,mutagenic
+104206-82-8,O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,non-mutagenic
+104206-82-8,OC(=O)c1ccc(cc1N)S(=O)(=O)C,non-mutagenic
+137-42-8,[S-]C(=S)NC.[Na+],mutagenic
+137-42-8,CN=C=O,non-mutagenic
+15299-99-7,CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,non-mutagenic
+15299-99-7,OC(=O)C(Oc1cccc2c1cccc2)C,non-mutagenic
+,CC1=CC[C@@H](CC1)C(=C)C,non-mutagenic
+15299-99-7,O=C1C=C(O)c2c(C1=O)cccc2,non-mutagenic
+34123-59-6,CNC(=O)Nc1ccc(cc1)C(C)C,non-mutagenic
+74223-64-6,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+74223-64-6,COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,non-mutagenic
+74223-64-6,COC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+111991-09-4,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+111991-09-4,CN(C(=O)c1cccnc1S(=O)(=O)N)C,non-mutagenic
+111991-09-4,NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+111991-09-4,O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,non-mutagenic
+111991-09-4,CNC(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+111991-09-4,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,non-mutagenic
+70630-17-0,COCC(=O)Nc1c(C)cccc1C,non-mutagenic
+5915-41-3,CCNc1nc(Cl)nc(n1)NC(C)(C)C,non-mutagenic
+5915-41-3,Nc1nc(nc(n1)O)NC(C)(C)C,non-mutagenic
+5915-41-3,CCNc1nc(O)nc(n1)NC(C)(C)C,non-mutagenic
+5915-41-3,Nc1nc(N)nc(n1)Cl,non-mutagenic
+5915-41-3,Nc1nc(nc(n1)Cl)NC(C)(C)C,non-mutagenic
+5915-41-3,Oc1nc2NC(C(n2c(=O)n1)O)(C)C,non-mutagenic
+5915-41-3,CC(Nc1nc(O)nc(n1)O)(C)C,non-mutagenic
+5915-41-3,Cn1c(O)nc(nc1=O)NC(C)(C)C,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,non-mutagenic
+121-75-5,COP(=S)(SC(C(=O)O)CC(=O)O)OC,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,non-mutagenic
+70630-17-0,Cc1cccc(c1N)C,non-mutagenic
+3060-89-7,CNC(=O)Nc1ccc(cc1)Br,non-mutagenic
+3060-89-7,NC(=O)Nc1ccc(cc1)Br,non-mutagenic
+3060-89-7,CONC(=O)Nc1ccc(cc1)Br,non-mutagenic
+15299-99-7,Oc1cccc2c1cccc2,non-mutagenic
+213464-77-8,COc1cc(O)nc(n1)NC(=O)N,non-mutagenic
+34123-59-6,OCC(c1ccc(cc1)NC(=O)N(C)C)C,non-mutagenic
+34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,non-mutagenic
+34123-59-6,CC(c1ccc(cc1)NC(=O)N)C,non-mutagenic
+34123-59-6,CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,non-mutagenic
+16672-87-0,ClCCP(=O)(O)O,non-mutagenic
+16672-87-0,OCCP(=O)(O)O,non-mutagenic
+21293-29-8,OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,non-mutagenic
+7681-52-9,[O-]Cl.[Na+],mutagenic
+2699-79-8,FS(=O)(=O)F,non-mutagenic
+99105-77-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,mutagenic
+99105-77-8,OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,non-mutagenic
+141776-32-1,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,non-mutagenic
+141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,non-mutagenic
+141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,non-mutagenic
+107534-96-3,Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)N)C,non-mutagenic
+148-79-8,c1scc(n1)c1nc2c([nH]1)cccc2,non-mutagenic
+89-83-8,Cc1ccc(c(c1)O)C(C)C,non-mutagenic
+57018-04-9,COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,non-mutagenic
+210631-68-8,Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,mutagenic
+210631-68-8,OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,non-mutagenic
+72459-58-6,Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,non-mutagenic
+101200-48-0,COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,non-mutagenic
+52-68-6,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-mutagenic
+55335-06-3,OC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+55335-06-3,CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+99387-89-0,CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,non-mutagenic
+95266-40-3,CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,non-mutagenic
+95266-40-3,OC(=O)C(CC(=O)O)CC(=O)O,non-mutagenic
+95266-40-3,O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,non-mutagenic
+95266-40-3,O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,non-mutagenic
+131983-72-7,OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,non-mutagenic
+131983-72-7,O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,non-mutagenic
+131983-72-7,OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,non-mutagenic
+283159-90-0,COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+283159-90-0,OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+1582-09-8,CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,non-mutagenic
+130561-48-7,COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+130561-48-7,OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+82097-50-5,ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,non-mutagenic
+82097-50-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,non-mutagenic
+87820-88-0,CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,non-mutagenic
+122931-48-0,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,non-mutagenic
+122931-48-0,CCS(=O)(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+122931-48-0,COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,non-mutagenic
+935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,non-mutagenic
+935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,non-mutagenic
+935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,non-mutagenic
+935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,non-mutagenic
+2797-51-5,NC1=C(Cl)C(=O)c2c(C1=O)cccc2,non-mutagenic
+2303-17-5,CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,mutagenic
+2303-17-5,ClC(=C(Cl)Cl)CS(=O)(=O)O,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,non-mutagenic
+317815-83-1,COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)N)C,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,non-mutagenic
+64628-44-0,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,non-mutagenic
+64628-44-0,FC(Oc1ccc(cc1)N)(F)F,non-mutagenic
+131807-57-3,O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,non-mutagenic
+100646-51-3,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,non-mutagenic
+119738-06-6,Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,non-mutagenic
+173159-57-4,O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,non-mutagenic
+102851-06-9,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+102851-06-9,Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+102851-06-9,CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,non-mutagenic
+102851-06-9,N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,non-mutagenic
+67233-85-6,COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],non-mutagenic
+824-39-5,[O-][N+](=O)c1ccccc1[O-].[Na+],non-mutagenic
+824-78-2,[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],non-mutagenic
+148477-71-8,CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,non-mutagenic
+731-27-1,OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,non-mutagenic
+731-27-1,Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,non-mutagenic
+731-27-1,OCc1ccc(cc1)NS(=O)(=O)N(C)C,non-mutagenic
+731-27-1,OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,non-mutagenic
+731-27-1,Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,non-mutagenic
+283594-90-1,O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,non-mutagenic
+118134-30-8,CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,non-mutagenic
+118134-30-8,CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],non-mutagenic
+126833-17-8,O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,non-mutagenic
+203313-25-1,CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,non-mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+161326-34-7,CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+161326-34-7,O=C1NC(=O)N[C@@]1(C)c1ccccc1,non-mutagenic
+161326-34-7,O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+161326-34-7,CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,non-mutagenic
+72490-01-8,CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,non-mutagenic
+22224-92-6,CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,non-mutagenic
+13356-08-6,CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,non-mutagenic
+122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,mutagenic
+67564-91-4,CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,non-mutagenic
+272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+272451-65-7,O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,non-mutagenic
+272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+158062-67-0,N#CCNC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,OC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,NC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)O,non-mutagenic
+158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)N,non-mutagenic
+158062-67-0,Oc1ncc(c(c1)C(F)(F)F)C(=O)O,non-mutagenic
+361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,non-mutagenic
+361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,non-mutagenic
+67306-00-7,CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,non-mutagenic
+67306-00-7,CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,non-mutagenic
+136426-54-5,Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,non-mutagenic
+136426-54-5,Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,non-mutagenic
+103361-09-7,C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,non-mutagenic
+90717-03-6,Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,non-mutagenic
+90717-03-6,OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,non-mutagenic
+90717-03-6,OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,mutagenic
+946578-00-3,N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+946578-00-3,NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+946578-00-3,CC(c1ccc(nc1)C(F)(F)F)O,non-mutagenic
+946578-00-3,CCc1ccc(nc1)C(F)(F)F,non-mutagenic
+946578-00-3,CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+946578-00-3,CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+61213-25-0,ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,non-mutagenic
+23422-53-9,CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,non-mutagenic
+3878-19-1,c1coc(c1)c1nc2c([nH]1)cccc2,non-mutagenic
+71283-80-2,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+71283-80-2,CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+81406-37-3,CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,non-mutagenic
+10045-86-0,[O-]P(=O)([O-])[O-].[Fe+3],non-mutagenic
+874967-67-6,Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,non-mutagenic
+66332-96-5,CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,non-mutagenic
+658066-35-4,Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,non-mutagenic
+78587-05-0,C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+114369-43-6,N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,non-mutagenic
+114369-43-6,Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+114369-43-6,Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+144740-54-5,COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],non-mutagenic
+144740-54-5,COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+144740-54-5,COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+144740-54-5,OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+144740-54-5,COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,non-mutagenic
+112410-23-8,O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,non-mutagenic
+112410-23-8,O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,non-mutagenic
+112410-23-8,OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,non-mutagenic
+79538-32-2,O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+10004-44-1,Cc1cc(=O)[nH]o1,non-mutagenic
+55219-65-3,OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,non-mutagenic
+76674-21-0,Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,non-mutagenic
+473798-59-3,C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,non-mutagenic
+473798-59-3,Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,non-mutagenic
+95977-29-0,OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+95977-29-0,COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+95977-29-0,O=c1[nH]cc(cc1Cl)C(F)(F)F,non-mutagenic
+95977-29-0,Cn1cc(cc(c1=O)Cl)C(F)(F)F,non-mutagenic
+126535-15-7,COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,non-mutagenic
+126535-15-7,Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,non-mutagenic
+126535-15-7,CNc1nc(OCC(F)(F)F)nc(n1)N,non-mutagenic
+126535-15-7,FC(COc1nc(N)nc(n1)N)(F)F,non-mutagenic
+126535-15-7,O=C1NS(=O)(=O)c2c1cccc2C,non-mutagenic
+1071-83-6,OC(=O)CNCP(=O)(O)O,non-mutagenic
+1071-83-6,NCP(=O)(O)O,non-mutagenic
+96525-23-4,CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,non-mutagenic
+96525-23-4,OC(=O)C(F)(F)F,non-mutagenic
+59669-26-0,CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,non-mutagenic
diff --git a/models/mutagenicity/download/efsa.tsv b/models/mutagenicity/download/efsa.tsv
new file mode 100644
index 0000000..2a2c848
--- /dev/null
+++ b/models/mutagenicity/download/efsa.tsv
@@ -0,0 +1,18425 @@
+"SUB_NAME" "SUB_ECSUBINVENTENTRYREF" "SUB_CASNUMBER" "SUB_TYPE" "QUALIFIER" "COM_NAME" "COM_ECSUBINVENTENTRYREF" "COM_CASNUMBER" "IUPACNAME" "COMPARAMNAME" "MOLECULARFORMULA" "SMILESNOTATION" "INCHI" "COM_TYPE" "COM_STRUCTURESHOWN" "SMILESNOTATIONSOURCE" "INCHI_NOTATIONSOURCE" "GENOTOX_ENDPOINT" "TESTTYPE" "METHOD_TYPE" "GUIDELINE_QUALIFIER" "GENOTOXGUIDELINEFULLTXT" "DEVIATION" "ACCEPTABILITY" "SPECIES" "STRAIN" "NUMBER_INDIVIDUALS" "SEX" "ROUTE" "EXP_PERIOD" "EXPPERIODUNIT" "CONTROL" "MET_INDICATOR" "RESULTS" "MOUSELYMPHTEST" "INVIVOTISSUEEXP" "DARAuthor" "DARTitle" "DARYear" "OpinionType" "OpinionAuthor" "OpinionTitle" "PUBLICATIONDATE" "OpinionPubYear" "DOI"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D6" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D6" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "no information" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "no information" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "ethyl 1-naphthylacetate" "" "2122-70-5" "ethyl 2-naphthalen-1-ylacetate" "Not in list" "C14H14O2" "CCOC(=O)CC1=CC=CC2=CC=CC=C21" "InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "6-Benzyladenine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is a metabolite of the substance" "bis(8-hydroxyquinolinium) sulphate" "" "" "quinolin-8-ol" "Not in list" "C18H16N2O6S" "C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.OS(=O)(=O)O" "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "no data" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "intraperitoneal" "72" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "12" "Male" "intraperitoneal" "17" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "12" "Male" "intraperitoneal" "36" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "68" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "44" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "7" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is part of a mixture or forumlation" "Avermectin B1a" "265-610-3" "65195-55-3" "(2aZ,4Z,5'S,6S,6'R,7S,8Z,11R,13S,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Abamectin (Avermectin B1a)" "C48H72O14" "CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C" "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12-,27-15-,32-14-/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The Netherlands" "Acequinocyl (Revised addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The Netherlands" "Acequinocyl (Revised addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-dodecyl-3-hydroxy-1,4-naphthoquinone" "" "" "2-dodecyl-3-hydroxy-1,4-naphthoquinone" "Not in list" "C22H30O3" "O=C2c1ccccc1C(=O)C(/O)=C2/CCCCCCCCCCCC" "InChI=1/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-19-20(23)17-14-12-13-15-18(17)21(24)22(19)25/h12-15,25H,2-11,16H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "20" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "20" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "20" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "20" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "20" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "2" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Balb/c" "24" "Male/Female" "inhalation: unspecified" "13" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "10" "Male" "inhalation: aerosol" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "inhalation: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "11" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "11" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "11" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Zinc phosphide (Addendum 1)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "without" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "with" "Negative" "" "" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Aminopyralid" "604-721-7" "150114-71-9" "single chemical entity" "Component is identical to the substance" "Aminopyralid" "604-721-7" "150114-71-9" "4-amino-3,6-dichloropyridine-2-carboxylic acid" "Aminopyralid" "C6H4Cl2N2O2" "Clc1c(nc(Cl)cc1N)C(=O)O" "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "24" "D" "yes, historical" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Aminopyralid (Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aminopyralid." "41528" "2013" "doi:10.2903/j.efsa.2013.3352"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "3" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "3" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Female" "oral: gavage" "4" "D" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Female" "oral: gavage" "3" "D" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Female" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "4" "Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "4" "Female" "oral: gavage" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "oral: gavage" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "4" "Female" "oral: gavage" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "4" "Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "N-[[(4-hydroxy-6-methoxypyrimidin-2-yl)amino]carbonyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "N-[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C12H14N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(O)cc(OC)n3" "InChI=1S/C12H14N10O5S/c1-21-10(6(5-13-21)9-17-20-22(2)18-9)28(25,26)19-12(24)16-11-14-7(23)4-8(15-11)27-3/h4-5H,1-3H3,(H3,14,15,16,19,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "" "" "1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Not in list" "C6H9N7O2S" "Cn1nc(nn1)c2cnn(C)c2S(N)(=O)=O" "InChI=1/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "4" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "3" "No data" "oral: gavage" "21" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male/Female" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "5" "Male" "oral: feed" "3" "D" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "2" "week" "yes" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male/Female" "oral: feed" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "4-chlorophenol" "203-402-6" "106-48-9" "4-chlorophenol" "Not in list" "C6H5ClO" "C1=CC(=CC=C1O)Cl" "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is part of a mixture or forumlation" "Butyrac 200" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is part of a mixture or forumlation" "Butyrac 200" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is part of a mixture or forumlation" "Butyrac 200" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is part of a mixture or forumlation" "Butyrac 200" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is part of a mixture or forumlation" "Butyrac 200" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluic acid" "" "" "2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoic acid" "Not in list" "C15H16N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC" "InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(sulfamoylmethyl)benzoate" "419-010-5" "112941-26-1" "methyl 2-(sulfamoylmethyl)benzoate" "Not in list" "C9H11NO4S" "COC(=O)C1=CC=CC=C1CS(=O)(=O)N" "InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(sulfamoylmethyl)benzoate" "419-010-5" "112941-26-1" "methyl 2-(sulfamoylmethyl)benzoate" "Not in list" "C9H11NO4S" "COC(=O)C1=CC=CC=C1CS(=O)(=O)N" "InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(sulfamoylmethyl)benzoate" "419-010-5" "112941-26-1" "methyl 2-(sulfamoylmethyl)benzoate" "Not in list" "C9H11NO4S" "COC(=O)C1=CC=CC=C1CS(=O)(=O)N" "InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(sulfamoylmethyl)benzoate" "419-010-5" "112941-26-1" "methyl 2-(sulfamoylmethyl)benzoate" "Not in list" "C9H11NO4S" "COC(=O)C1=CC=CC=C1CS(=O)(=O)N" "InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(sulfamoylmethyl)benzoate" "419-010-5" "112941-26-1" "methyl 2-(sulfamoylmethyl)benzoate" "Not in list" "C9H11NO4S" "COC(=O)C1=CC=CC=C1CS(=O)(=O)N" "InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is a metabolite of the substance" "1H-2, 3-benzothiazin-4(3H)-one 2,2-dioxide" "244-577-9" "21784-53-2" "2,2-dioxo-1H-2$l^{6},3-benzothiazin-4-one" "Not in list" "C8H7NO3S" "C1C2=CC=CC=C2C(=O)NS1(=O)=O" "InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "intraperitoneal" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "20" "Male" "oral: feed" "13" "week" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "8" "Male" "intraperitoneal" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "8" "Male/Female" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "8" "Male/Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Balb/c" "5" "Male" "oral: gavage" "28" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "According to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "200" "Male" "oral: feed" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Sordaria brevicollis (as organism)" "Not reported" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bixafen" "" "581809-46-3" "single chemical entity" "Component is identical to the substance" "Bixafen" "" "581809-46-3" "N-(3',4'-dichloro-5-fluorobiphenyl-2-yl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Bixafen" "C18H12Cl2F3N3O" "FC(F)c3nn(C)cc3C(=O)Nc2ccc(F)cc2c1ccc(Cl)c(Cl)c1" "InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Bixafen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bixafen" "41218" "2012" "doi:10.2903/j.efsa.2012.2917"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromadiolone" "249-205-9" "28772-56-7" "single chemical entity" "Component is identical to the substance" "Bromadiolone" "249-205-9" "28772-56-7" "3-[3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-
+hydroxychromen-2-one" "Bromadiolone" "C30H23BrO4" "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O" "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Bromadiolone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromadiolone" "40464" "2010" "doi:10.2903/j.efsa.2010.1783"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "no information" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "12" "Male/Female" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is identical to the substance" "Bromuconazole" "" "116255-48-2" "2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol" "Bromuconazole (sum of diasteroisomers)" "C13H12BrCl2N3O" "BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1" "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "12" "Male/Female" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is a metabolite of the substance" "Ethirimol" "245-949-3" "" "5-butyl-2-(ethylamino)-6-methyl-1H-pyrimidin-4-one" "Not in list" "C11H19N3O" "CCCCC1=C(NC(=NC1=O)NCC)C" "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "12" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is identical to the substance" "Buprofezin" "" "69327-76-0" "2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one" "Buprofezin" "C16H23N3OS" "O=C1N(C(C)C)C(SCN1C2=CC=CC=C2)=NC(C)(C)C" "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Buprofezin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "3T3" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "3T3" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Cadusafos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Cadusafos" "" "95465-99-9" "single chemical entity" "Component is identical to the substance" "Cadusafos" "" "95465-99-9" "2-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane" "Cadusafos" "C10H23O2PS2" "CCC(C)SP(=O)(OCC)SC(C)CC" "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cadusafos (Addendum 3)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cadusafos" "39953" "2009" "doi:10.2903/j.efsa.2009.262r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1536" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1536" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "gene mutation" "mouse spot test" "in vivo" "According to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "" "Female" "oral: feed" "4" "D" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "6" "Male" "oral: gavage" "5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "5" "No data" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "54" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: gavage" "4" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "5" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male" "oral: feed" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "" "No data" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: gavage" "4" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male" "oral: feed" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "5" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "" "No data" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "15" "Male" "oral: unspecified" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "15" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "15" "Male" "oral: gavage" "" "" "yes" "not applicable" "Ambiguous" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "15" "Male" "intraperitoneal" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "15" "Male" "oral: gavage" "" "" "yes" "not applicable" "Ambiguous" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"Captan" "205-087-0" "133-06-2" "single chemical entity" "Component is identical to the substance" "Captan" "205-087-0" "133-06-2" "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" "Captan" "C9H8Cl3NO2S" "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" "InChI=1/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Captan" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance captan" "40108" "2009" "doi:10.2903/j.efsa.2009.296r"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "small colonies" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "large colonies" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"1-Methylcyclopropene" "" "3100-04-7" "single chemical entity" "Component is identical to the substance" "1-Methylcyclopropene" "" "3100-04-7" "1-methylcyclopropene" "1-methylcyclopropene" "C4H6" "CC1=CC1" "InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "1-Methylcyclopropene" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance 1-methylcyclopropene" "38484" "2005" "doi:10.2903/j.efsa.2005.30r"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "7" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is part of a group assessment" "Geranyl acetate" "203-341-5" "105-87-3" "[(2E)-3,7-dimethylocta-2,6-dienyl] acetate" "Not in list" "C12H20O2" "CC(=CCCC(=CCOC(=O)C)C)C" "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "6" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "single chemical entity" "Component is identical to the substance" "2-(1-Naphthyl)acetamide" "201-704-2" "86-86-2" "2-naphthalen-1-ylacetamide" "Not in list" "C12H11NO" "NC(=O)Cc1cccc2ccccc12" "InChI=1/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphthaleneacetamide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2-(1-naphthyl)acetamide (notified as 1-naphthylacetamide)" "40597" "2011" "doi:10.2903/j.efsa.2011.2020"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is a metabolite of the substance" "sodium 1-naphthylacetate" "" "61-31-4" "sodium;2-naphthalen-1-ylacetate" "Not in list" "C12H9NaO2" "C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[Na+]" "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"1-Naphthylacetic acid" "201-705-8" "86-87-3" "single chemical entity" "Component is identical to the substance" "1-Naphthylacetic acid" "201-705-8" "86-87-3" "1-2-naphthalen-1-ylacetic acid" "1-naphthylacetic acid" "C12H10O2" "OC(=O)Cc1cccc2ccccc12" "InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Naphtaleneacetic acid" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1-naphthylacetic acid" "40597" "2011" "doi:10.2903/j.efsa.2011.2019"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "intraperitoneal" "23" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"8-Hydroxyquinoline" "205-711-1" "148-24-3" "single chemical entity" "Component is identical to the substance" "8-Hydroxyquinoline" "205-711-1" "148-24-3" "Quinolin-8-ol" "Not in list" "C9H7NO" "C1=CC2=C(C(=C1)O)N=CC=C2" "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "intraperitoneal" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "8-Hydroxyquinoline (Variant: 8-Hydroxyquinoline neutral sulphate)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 8-hydroxyquinoline" "40571" "2011" "doi:10.2903/j.efsa.2011.1964"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "mixture or formulation" "Component is identical to the substance" "Abamectin" "" "71751-41-2" "(9Z,13Z,15Z)-6'-(butan-2-yl)-19,21b-dihydroxy-5',10,12,20-tetramethyl-1-oxo-3,4,5',6',8,11,12,18,18a,19,21a,21b-dodecahydro-1H,7H,16H-spiro[3,7-methanopyrano[3,4,5-pq][2,6]benzodioxacyclooctadecine-5,2'-pyran]-11-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-3-O-methylhexopyranoside" "Abamectin (sum of Avermectin B1a, AvermectinB1b and delta-8,9 isomer of Avermectin B1a)" "C49H74O14" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COCC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" "InChI=1S/C49H74O14/c1-11-26(2)45-29(5)17-18-48(63-45)23-35-20-34(62-48)16-15-28(4)44(60-41-22-39(55-10)46(32(8)58-41)61-40-21-38(54-9)43(51)31(7)57-40)27(3)13-12-14-33-24-56-25-37-42(50)30(6)19-36(47(52)59-35)49(33,37)53/h12-15,17-19,26-27,29,31-32,34-46,50-51,53H,11,16,20-25H2,1-10H3/b13-12-,28-15-,33-14-" "organic" "representative compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Abamectin" "" "71751-41-2" "single chemical entity" "Component is a metabolite of the substance" "[8,9-Z]-isomer of avermectin B1a" "" "" "{(2aZ,4Z,5'S,6R,6'R,7Z,10R,12S,14S,16aR,19R,19aR,19bS)-6'-[(2S)-butan-2-yl]-19,19b-dihydroxy-5',6,7,18-tetramethyl-16-oxo-5',6,6',9,10,13,14,16,16a,19,19a,19b-dodecahydro-2H-spiro[10,14-methanofuro[4,3,2-op][2,6]benzodioxacycloheptadecine-12,2'-pyran]-6-yl}methyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-3-O-methyl-a-L-arabino-hexopyranoside" "Avermectin B1a, delta-8,9 isomer" "C47H70O14" "CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)OC[C@]5(C)C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]3C[C@H](O[C@]4(C3)C=C[C@H](C)[C@H](O4)[C@@H](C)CC)CC=C5C)[C@]67O" "InChI=1S/C48H72O14/c1-11-26(2)42-27(3)16-18-47(62-42)23-34-20-33(61-47)15-14-29(5)46(8,17-12-13-32-24-55-44-40(49)28(4)19-35(45(51)59-34)48(32,44)52)25-56-38-22-37(54-10)43(31(7)58-38)60-39-21-36(53-9)41(50)30(6)57-39/h12-14,16-19,26-27,30-31,33-44,49-50,52H,11,15,20-25H2,1-10H3/b17-12-,29-14-,32-13-/t26-,27-,30-,31-,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43-,44+,46-,47+,48+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Abamectin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance abamectin. Please note the current definition for the ISO name is exactly an 80% to 20% mixture of avermectins B1a and B1b. However the material discussed in thi" "39658" "2008" "doi:10.2903/j.efsa.2008.147r"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is identical to the substance" "Acequinocyl" "" "57960-19-7" "3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate" "Acequinocyl" "C24H32O4" "CC(=O)OC2=C(CCCCCCCCCCCC)C(=O)c1ccccc1C2=O" "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acequinocyl" "" "57960-19-7" "single chemical entity" "Component is a metabolite of the substance" "2-(2-oxotetradecanoyl)benzoic acid" "" "" "2-(2-oxododecanoyl)benzoic acid" "Not in list" "C19H26O4" "O=C(O)c1ccccc1C(=O)C(=O)CCCCCCCCCC" "InChI=1/C19H26O4/c1-2-3-4-5-6-7-8-9-14-17(20)18(21)15-12-10-11-13-16(15)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Acequinocyl (Revised version of September 2007)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acequinocyl." "41396" "2013" "doi:10.2903/j.efsa.2013.3212"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "6-Benzyladenine (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "6-Benzyladenine (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "6-Benzyladenine (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"6-Benzyladenine" "214-927-5" "1214-39-7" "single chemical entity" "Component is identical to the substance" "6-Benzyladenine" "214-927-5" "1214-39-7" "N-benzyl-7H-purin-6-amine" "6-Benzyladenine" "C12H11N5" "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "6-Benzyladenine (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 6-benzyladenine" "40473" "2010" "doi:10.2903/j.efsa.2010.1716"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is identical to the substance" "Acibenzolar-S-methyl" "" "135158-54-2" "Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester" "Acybenzolar-S-methyl" "C8H6N2OS2" "CSC(=O)C1=C2C(=CC=C1)N=NS2" "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France - CoRMS: Spain" "Acibenzolar-S-Methyl (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,3-benzothiadiazole-7-carboxylic acid" "" "35272-27-6" "1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O2S" "C1=CC(=C2C(=C1)N=NS2)C(=O)O" "InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "4-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1ccc(O)c2nnsc12" "InChI=1/C7H4N2O3S/c10-4-2-1-3(7(11)12)6-5(4)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Acibenzolar-S-methyl" "" "135158-54-2" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "" "" "5-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid" "Not in list" "C7H4N2O3S" "O=C(O)c1cc(O)cc2nnsc12" "InChI=1/C7H4N2O3S/c10-3-1-4(7(11)12)6-5(2-3)8-9-13-6/h1-2,10H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acibenzolar-s-methyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acibenzolar-S-methyl" "41863" "2014" "doi:10.2903/j.efsa.2014.3691"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"Aclonifen" "277-704-1" "74070-46-5" "single chemical entity" "Component is identical to the substance" "Aclonifen" "277-704-1" "74070-46-5" "2-chloro-6-nitro-3-phenoxyaniline" "Aclonifen" "C12H9ClN2O3" "Clc2c(N)c(ccc2Oc1ccccc1)[N+]([O-])=O" "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aclonifen" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Aclonifen" "39742" "2008" "doi:10.2903/j.efsa.2008.149r"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "5" "Male/Female" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "5" "Male/Female" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is identical to the substance" "Acrinathrin" "" "101007-06-1" "[(S)-cyano-(3-phenoxyphenyl)methyl](1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Acrinathrin" "C26H21F6NO5" "CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C" "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "" "" "(2Z)-3-(3-{[cyano(3-phenoxyphenyl)methoxy]carbonyl}-2,2-dimethylcyclopropyl)prop-2-enoic acid" "Acrinathrin" "C23H21NO5" "OC(=O)/C=C\C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C" "InChI=1/C23H21NO5/c1-23(2)18(11-12-20(25)26)21(23)22(27)29-19(14-24)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-13,18-19,21H,1-2H3,(H,25,26)/b12-11-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Acrinathrin" "" "101007-06-1" "single chemical entity" "Component is a metabolite of the substance" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "3-[(Z)-2-carboxyethenyl]-2,2-dimethylcyclopropanecarboxylic acid" "Acrinathrin" "C9H12O4" "OC(=O)/C=C\C1C(C(=O)O)C1(C)C" "InChI=1/C9H12O4/c1-9(2)5(3-4-6(10)11)7(9)8(12)13/h3-5,7H,1-2H3,(H,10,11)(H,12,13)/b4-3-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Acrinathrin (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance acrinathrin." "41627" "2013" "doi:10.2903/j.efsa.2013.3469"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is identical to the substance" "Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "Aluminum;azanium;disulfate;dodecahydrate" "Aluminium ammonium sulphate dodecahydrate" "AlH28NO20S2" "[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3]" "InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is identical to the substance" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Magnesium phosphide" "235-023-7" "12057-74-8" "Trimagnesium;phosphorus(3-)" "Not in list" "Mg3P2" "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" "InChI=1S/3Mg.2P/q3*+2;2*-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is identical to the substance" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium phosphide" "244-088-0" "20859-73-8" "phosphinidyne aluminum" "Not in list" "AlP" "[Al]#P" "InChI=1/Al.P/rAlP/c1-2" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Phosphine" "232-260-8" "7803-51-2" "single chemical entity" "Component is identical to the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Phosphane" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance phosphane" "40970" "2012" "doi:10.2903/j.efsa.2012.2595"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Magnesium phosphide" "235-023-7" "12057-74-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Magnesium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance magnesium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.190r"
+"Zinc phosphide" "215-244-5" "1314-84-7" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Zinc phosphide" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance zinc phosphide" "40378" "2010" "doi:10.2903/j.efsa.2010.1671"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Calcium phosphide" "215-142-0" "1305-99-3" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Calcium phosphide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance calcium phosphide" "39743" "2008" "doi:10.2903/j.efsa.2008.183r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Aluminium phosphide" "244-088-0" "20859-73-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphine" "232-260-8" "7803-51-2" "phosphine" "Not in list" "H3P" "P" "InChI=1S/H3P/h1H3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Aluminium phosphide (Final Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance aluminium phosphide" "39828" "2009" "doi:10.2903/j.efsa.2009.182r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is identical to the substance" "Amidosulfuron" "" "120923-37-7" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea" "Amidosulfuron" "C9H15N5O7S2" "O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "" "" "3-(4-hydroxy-6-methoxypyrimidin-2-yl)-1-(N-methyl-N-methylsulfonylaminosulfonyl)-urea" "Not in list" "C8H13N5O7S2" "O=C(Nc1nc(O)cc(OC)n1)NS(=O)(=O)N(C)S(C)(=O)=O" "InChI=1/C8H13N5O7S2/c1-13(21(3,16)17)22(18,19)12-8(15)11-7-9-5(14)4-6(10-7)20-2/h4H,1-3H3,(H3,9,10,11,12,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dihydroxypyrimidine" "200-256-5" "56-09-7" "2-amino-4-hydroxy-1H-pyrimidin-6-one" "Not in list" "C4H5N3O2" "C1=C(N=C(NC1=O)N)O" "InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Amidosulfuron" "" "120923-37-7" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Amidosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance amidosulfuron" "39761" "2008" "doi:10.2903/j.efsa.2008.116r"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "8" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "0.25" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "1" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "1.5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Female" "oral: gavage" "0.5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "6" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is identical to the substance" "Carbetamide" "240-286-6" "16118-49-3" "1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" "Carbetamide" "C12H16N2O3" "O=C(NCC)C(OC(NC1=CC=CC=C1)=O)C" "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "6" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is identical to the substance" "Amisulbrom" "" "348635-87-0" "3-(3-bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide" "Amisulbrom" "C13H13BrFN5O4S2" "CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br" "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Amisulbrom" "" "348635-87-0" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "" "" "3-bromo-6-fluoro-2-methyl-1-(1H-1,2,4-triazol-3-ylsulfonyl)-1H-indole" "Not in list" "C11H8BrFN4O2S" "O=S(=O)(n2c1cc(F)ccc1c(Br)c2C)c3ncnn3" "InChI=1/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Amisulbrom" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amisulbrom" "41736" "2014" "doi:10.2903/j.efsa.2014.3237"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is identical to the substance" "Azoxystrobin" "" "131860-33-8" "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate" "Azoxystrobin" "C22H17N3O5" "N#CC1=CC=CC=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2" "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "(2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid" "" "" "(2Z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-4-oxopent-2-enoic acid" "Not in list" "C22H15N3O5" "CC(=O)\C=C(/C(=O)O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C22H15N3O5/c1-14(26)10-17(22(27)28)16-7-3-5-9-19(16)30-21-11-20(24-13-25-21)29-18-8-4-2-6-15(18)12-23/h2-11,13H,1H3,(H,27,28)/b17-10-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Azoxystrobin" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Ambiguous" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Ambiguous" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"L-ascorbic acid" "200-066-2" "50-81-7" "single chemical entity" "Component is identical to the substance" "L-ascorbic acid" "200-066-2" "50-81-7" "(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one" "L-ascorbic acid" "C6H8O6" "C(C(C1C(=C(C(=O)O1)O)O)O)O" "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "L-ascorbic acid" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance L-ascorbic acid" "41389" "2013" "doi: 10.2903/j.efsa.2013.3197"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Trifolio-M GmbH source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: microorganisms or derived from microorganisms" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Sipcam S.p.A source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Azadirachtin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Azadirachtin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Azadirachtin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Azadirachtin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Azadirachtin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Azadirachtin A" "" "11141-17-6" "complex product: derived from botanical sources" "Component is the active ingredient of the mixture or formulation" "Azadirachtin extract (Mitsui AgriScience International S.A/B.V source)" "" "" "methyl 10,10a-bis(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}decahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5-carboxylate" "Not in list" "C35H44O16" "C24(C(C3C1(C=COC1OC2C3)O)(C)O4)C6(C8C5(C(CC(C7(C5C(C6O)OC7)OC(=O)C)OC(=O)C)OC(/C(=C/C)C)=O)COC8(C(=O)OC)O)C" "InChI=1S/C35H44O16/c1-8-15(2)25(39)48-19-12-20(47-16(3)36)33(50-17(4)37)14-45-22-23(33)31(19)13-46-34(42,27(40)43-7)26(31)29(5,24(22)38)35-21-11-18(30(35,6)51-35)32(41)9-10-44-28(32)49-21/h8-10,18-24,26,28,38,41-42H,11-14H2,1-7H3/b15-8+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Azadirachtin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azadirachtin" "40619" "2011" "doi:10.2903/j.efsa.2011.1858"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "IN-E6758" "" "" "phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate" "Not in list" "C13H13N3O4" "O=C(Oc1ccccc1)Nc2nc(cc(OC)n2)OC" "InChI=1/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "IN-E6758" "" "" "phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate" "Not in list" "C13H13N3O4" "O=C(Oc1ccccc1)Nc2nc(cc(OC)n2)OC" "InChI=1/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is a metabolite of the substance" "IN-E6758" "" "" "phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate" "Not in list" "C13H13N3O4" "O=C(Oc1ccccc1)Nc2nc(cc(OC)n2)OC" "InChI=1/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Azimsulfuron" "601-676-5" "120162-55-2" "single chemical entity" "Component is identical to the substance" "Azimsulfuron" "601-676-5" "120162-55-2" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide" "Azimsulfuron" "C13H16N10O5S" "Cn1nc(nn1)c2cnn(C)c2S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3" "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Slovenia" "Azimsulfuron (Corrigendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azimsulfuron" "40263" "2010" "doi:10.2903/j.efsa.2010.1554"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfluralin" "217-465-2" "1861-40-1" "single chemical entity" "Component is identical to the substance" "Benfluralin" "217-465-2" "1861-40-1" "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" "Benfluralin" "C13H16F3N3O4" "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfluralin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benfluralin" "39657" "2008" "doi:10.2903/j.efsa.2008.127r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, historical" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, historical" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bensulfuron-methyl" "401-340-6" "83055-99-6" "single chemical entity" "Component is identical to the substance" "Bensulfuron-methyl" "401-340-6" "83055-99-6" "Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate" "Bensulfuron-Methyl" "C16H18N4O7S" "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Bensulfuron Methyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bensulfuron" "39828" "2009" "doi:10.2903/j.efsa.2009.178r"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "oral: gavage" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Ambiguous" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is part of a group assessment" "bentazone sodium" "256-735-4" "50723-80-3" "sodium;2,2-dioxo-3-propan-2-yl-2$l^{6},1,3-benzothiadiazin-1-id-4-one" "Not in list" "C10H11N2NaO3S" "CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+]" "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male/Female" "oral: feed" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is a metabolite of the substance" "8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" "611-967-9" "60374-43-8" "8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O4S" "CC(C)N1C(=O)C2=C(C(=CC=C2)O)NS1(=O)=O" "InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Bentazone" "246-585-8" "25057-89-0" "single chemical entity" "Component is identical to the substance" "Bentazone" "246-585-8" "25057-89-0" "2,2-dioxo-3-propan-2-yl-1H-2$l^{6},1,3-benzothiadiazin-4-one" "Not in list" "C10H12N2O3S" "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Bentazone (RAR)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Bentazone" "42114" "2015" "doi: 10.2903/j.efsa.2015.4077"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Beta-Cypermethrin" "265-898-0" "65731-84-2" "single chemical entity" "Component is identical to the substance" "Beta-Cypermethrin" "265-898-0" "65731-84-2" "A reaction mixture comprising two enantiomeric pairs in ratio ca. 2:3 of (R)-alpha-cyano-3-phenoxybenzyl (1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate with (R)-alpha-cyano-3-phenoxybenzyl (1S)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and (S)-alpha-cyano-3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" "Beta-cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Beta-Cypermethrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance beta-cypermethrin" "41810" "2014" "doi:10.2903/j.efsa.2014.3717"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Bifenox" "255-894-7" "42576-02-3" "single chemical entity" "Component is identical to the substance" "Bifenox" "255-894-7" "42576-02-3" "methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate" "Bifenox" "C14H9Cl2NO5" "[O-][N+](C(C=C2)=C(C=C2OC1=CC=C(Cl)C=C1Cl)C(OC)=O)=O" "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Bifenox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance bifenox" "39492" "2008" "doi:10.2903/j.efsa.2008.119r"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl" "2000" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is identical to the substance" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-DL-alaninate" "" "" "3-[(2,6-dimethylphenyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid" "Not in list" "C15H19NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1S/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl" "275-728-7" "71626-11-4" "single chemical entity" "Component is a metabolite of the substance" "N-(malonyl)-N-(2,6-xylyl)-DL-alanine" "" "" "N-(carboxyacetyl)-N-(2,6-dimethylphenyl)alanine" "Not in list" "C14H17NO5" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: Portugal" "Benalaxyl (Addendum 8)" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluoro-2-hydroxybenzothiazole" "" "" "6-fluoro-1,3-benzothiazol-2-ol" "Not in list" "C7H4FNOS" "Fc1ccc2nc(O)sc2c1" "InChI=1/C7H4FNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6-Fluorobenzothiazol-2-yl methyl ketone" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone" "Not in list" "C9H6FNOS" "CC(=O)c1nc2ccc(F)cc2s1" "InChI=1/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "1-(6-Fluorobenzothiazol-2-yl)ethanol" "" "" "1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol" "Not in list" "C9H8FNOS" "CC(O)c1nc2ccc(F)cc2s1" "InChI=1/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "" "" "Isopropyl (1S)-1-[(1R or S)-1-(6-fluoro-5-hydroxybenzothiazol-2-yl)ethylcarbamoyl]-2-methylpropylcarbamate" "Not in list" "C18H24FN3O4S" "CC(C)C(NC(=O)OC(C)C)C(=O)NC(C)c1nc2cc(O)c(F)cc2s1" "InChI=1/C18H24FN3O4S/c1-8(2)15(22-18(25)26-9(3)4)16(24)20-10(5)17-21-12-7-13(23)11(19)6-14(12)27-17/h6-10,15,23H,1-5H3,(H,20,24)(H,22,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "48" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "48" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "48" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is identical to the substance" "Clomazone" "" "81777-89-1" "2-(2-chlorobenzyl)-4,4-dimethylisoxazolidin-3-one" "Clomazone" "C12H14ClNO2" "O=C1N(CC(C=CC=C2)=C2Cl)OCC(C)1C" "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Clomazone" "" "81777-89-1" "single chemical entity" "Component is a metabolite of the substance" "Isoxazolidine" "" "81778-07-6" "4,4-dimethyl-1,2-oxazolidin-3-one" "Not in list" "C5H9NO2" "CC1(CONC1=O)C" "InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Clomazone" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clomazone" "39311" "2007" "doi:10.2903/j.efsa.2007.109r"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Diclofop-methyl" "257-141-8" "51338-27-3" "single chemical entity" "Component is identical to the substance" "Diclofop-methyl" "257-141-8" "51338-27-3" "Methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" "Diclofop-Methyl" "C16H14Cl2O4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Diclofop-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diclofop (considered variant diclofop-methyl)" "40458" "2010" "doi:10.2903/j.efsa.2010.1718"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is identical to the substance" "Chlorsulfuron" "265-268-5" "64902-72-3" "2-chloro-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide" "Chlorsulfuron" "C12H12ClN5O4S" "Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2" "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: feed" "10" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "2-chlorobenzenesulfonamide" "230-156-7" "6961-82-6" "2-chlorobenzenesulfonamide" "Not in list" "C6H6ClNO2S" "C1=CC=C(C(=C1)S(=O)(=O)N)Cl" "InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Chlorsulfuron" "265-268-5" "64902-72-3" "single chemical entity" "Component is a metabolite of the substance" "N-[(Ncarbamoylcarbamimidoyl)carbamoyl]-2-chlorobenzenesulfonamide" "" "" "N'-(N-{[(2-chlorophenyl)sulfonyl]carbamoyl}carbamimidoyl)carbamimidic acid" "Not in list" "C9H10ClN5O4S" "O=S(=O)(NC(=O)NC(=N)/N=C(\N)O)c1ccccc1Cl" "InChI=1/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorsulfuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlorsulfuron" "39878" "2009" "doi:10.2903/j.efsa.2009.201r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Clopyralid" "216-935-4" "1702-17-6" "single chemical entity" "Component is identical to the substance" "Clopyralid" "216-935-4" "1702-17-6" "3,6-dichloropyridine-2-carboxylic acid" "Clopyralid" "C6H3Cl2NO2" "C1=CC(=NC(=C1Cl)C(=O)O)Cl" "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Clopyralid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Clopyralid" "38740" "2006" "doi: 10.2903/j.efsa.2006.50r"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is identical to the substance" "Cyhalofop-butyl" "601-817-0" "122008-85-9" "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C20H20FNO4" "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Cyhalofop-butyl" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "3T3" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "3T3" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Diflubenzuron" "252-529-3" "35367-38-5" "single chemical entity" "Component is identical to the substance" "Diflubenzuron" "252-529-3" "35367-38-5" "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" "Diflubenzuron" "C14H9ClF2N2O2" "Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2" "InChI=1/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: unspecified" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Diflubenzuron (Addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance diflubenzuron" "41159" "2012" "doi:10.2903/j.efsa.2012.2870"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carbetamide" "240-286-6" "16118-49-3" "single chemical entity" "Component is a metabolite of the substance" "(RS) 2-phenylcarbamoyl-propionic acid" "" "" "{2-[(phenylcarbamoyl)oxy]propanoyl}carbamic acid" "Not in list" "C11H12N2O5" "O=C(O)NC(=O)C(C)OC(=O)Nc1ccccc1" "InChI=1/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Carbetamide (Revised DAR of December 2005)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbetamide" "40526" "2010" "doi:10.2903/j.efsa.2010.1913"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is a metabolite of the substance" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "" "" "2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide" "Carboxin metabolite (P/V-54)" "C6H9NO3S" "CC=1OCCS(=O)C=1C(N)=O" "InChI=1/C6H9NO3S/c1-4-5(6(7)8)11(9)3-2-10-4/h2-3H2,1H3,(H2,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Carboxin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Carboxin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Carboxin" "226-031-1" "5234-68-4" "single chemical entity" "Component is identical to the substance" "Carboxin" "226-031-1" "5234-68-4" "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" "Carboxin" "C12H13NO2S" "CC1=C(SCCO1)C(=O)Nc2ccccc2" "InChI=1/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Carboxin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carboxin" "40469" "2010" "doi:10.2903/j.efsa.2010.1857"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "24" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "24" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "24" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Dichlorprop-P" "" "15165-67-0" "single chemical entity" "Component is identical to the substance" "Dichlorprop-P" "" "15165-67-0" "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" "Dichlorprop-p" "C9H8Cl2O3" "Clc1cc(Cl)ccc1O[C@H](C)C(=O)O" "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Dichlorprop-p" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dichlorprop-P" "41226" "2012" "doi:10.2903/j.efsa.2012.2950"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "6" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is a metabolite of the substance" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "609-284-6" "36701-89-0" "2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid" "Not in list" "C13H8F3NO3" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)F" "InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: The United Kingdom" "Diflufenican" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "3" "Male/Female" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Cyromazine" "" "66215-27-8" "single chemical entity" "Component is identical to the substance" "Cyromazine" "" "66215-27-8" "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine" "Cyromazine" "C6H10N6" "Nc2nc(N)nc(NC1CC1)n2" "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "71" "Female" "intraperitoneal" "8" "week" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "" "RMS: Greece" "Cyromazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyromazine" "39742" "2008" "doi:10.2903/j.efsa.2008.168r"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Dicloran" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Dicloran" "202-746-4" "99-30-9" "single chemical entity" "Component is identical to the substance" "Dicloran" "202-746-4" "99-30-9" "2,6-dichloro-4-nitroaniline" "Dicloran" "C6H4Cl2N2O2" "Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]" "InChI=1/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "Dicloran (Addendum II)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicloran" "40393" "2010" "doi:10.2903/j.efsa.2010.1698"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "single chemical entity" "Component is identical to the substance" "Didecyldimethylammonium chloride" "230-525-2" "7173-51-5" "N-decyl-N,N-dimethyldecan-1-aminium chloride" "Didecyldimethylammonium chloride (mixture of alkyl-quaternary ammonium salts with alkyl chain lengths of C8, C10 and C12)" "C22H48N.Cl" "[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC" "InChI=1/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Didecyldimethylammonium Chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance didecyldimethylammonium chloride" "39906" "2009" "doi: 10.2903/j.efsa.2009.214r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Diazinon" "206-373-8" "333-41-5" "single chemical entity" "Component is identical to the substance" "Diazinon" "206-373-8" "333-41-5" "O,O-diethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) thiophosphate" "Diazinon" "C12H21N2O3PS" "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" "InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Diazinon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diazinon" "38938" "2006" "doi:10.2903/j.efsa.2006.85r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male" "oral: feed" "10" "week" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clodinafop-propargyl" "" "105512-06-9" "single chemical entity" "Component is identical to the substance" "Clodinafop-propargyl" "" "105512-06-9" "prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate" "Clodinafop-Propargyl" "C17H13ClFNO4" "O=C(OCC#C)[C@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C" "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clodinafop-propargyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clodinafop" "38595" "2005" "doi:10.2903/j.efsa.2005.34ar"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "5" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "5" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "5" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Cymoxanil" "261-043-0" "57966-95-7" "single chemical entity" "Component is identical to the substance" "Cymoxanil" "261-043-0" "57966-95-7" "(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" "Cymoxanil" "C7H10N4O3" "CCNC(=O)NC(=O)/C(=N/OC)/C#N" "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "5" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cymoxanil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cymoxanil" "39738" "2008" "doi:10.2903/j.efsa.2008.167r"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: unspecified" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: unspecified" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "105" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "" "" "1-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium" "Not in list" "C8H9N2O" "O=C1NCC[n+]2ccccc12" "InChI=1/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodemorph acetate" "250-778-2" "31717-87-0" "single chemical entity" "Component is identical to the substance" "Dodemorph acetate" "250-778-2" "31717-87-0" "Acetic acid;4-cyclododecyl-2,6-dimethylmorpholine" "Not in list" "C20H39NO3" "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Dodemorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dodemorph (considered variant dodemorph acetate)" "39738" "2008" "doi:10.2903/j.efsa.2008.170r"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Epoxiconazole" "" "106325-08-0" "single chemical entity" "Component is identical to the substance" "Epoxiconazole" "" "106325-08-0" "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" "Epoxiconazole" "C17H13ClFN3O" "ClC3=C(C=CC=C3)C1OC(C4=CC=C(F)C=C4)1CN2N=CN=C2" "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Epoxiconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance epoxiconazole" "39657" "2008" "doi:10.2903/j.efsa.2008.138r"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is a metabolite of the substance" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "" "7600-50-2" "2,5-dichloro-3-hydroxy-6-methoxybenzoic acid" "Not in list" "C8H6Cl2O4" "COC1=C(C=C(C(=C1C(=O)O)Cl)O)Cl" "InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is identical to the substance" "Esfenvalerate" "" "66230-04-4" "(alphaS)-alpha-cyano-3-phenoxybenzyl(2S)-2-(4-chlorophenyl)-3-methylbutyrate" "Esfenvalerate" "C25H22ClNO3" "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(2RS,3RS)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "66753-10-4" "3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C24H22ClNO" "CC(C)C(C1=CC=C(C=C1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C24H22ClNO/c1-17(2)24(18-11-13-20(25)14-12-18)23(16-26)19-7-6-10-22(15-19)27-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Esfenvalerate" "" "66230-04-4" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "" "" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (2RS)-2-(4-chlorophenyl)-3-methylbutanoate" "Not in list" "C25H24ClNO4" "Clc1ccc(cc1)C(C(C)C)C(=O)OC(c3cccc(Oc2ccccc2)c3)C(N)=O" "InChI=1/C25H24ClNO4/c1-16(2)22(17-11-13-19(26)14-12-17)25(29)31-23(24(27)28)18-7-6-10-21(15-18)30-20-8-4-3-5-9-20/h3-16,22-23H,1-2H3,(H2,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Esfenvalerate" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance esfenvalerate" "41946" "2014" "doi:10.2903/j.efsa.2014.3873"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM571" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM611" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP6" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D6" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D6" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "36" "Male/Female" "Not reported" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "36" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "36" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "42" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "42" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "42" "Male/Female" "Not reported" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "Not reported" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "Not reported" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "Not reported" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "Not reported" "39" "h" "yes" "not applicable" "Positive" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is identical to the substance" "Etridiazole" "219-991-8" "2593-15-9" "5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole" "Etridiazole" "C5H5Cl3N2OS" "ClC(Cl)(Cl)C1=NSC(OCC)=N1" "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "Not reported" "48" "h" "yes" "not applicable" "Positive" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "30" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Etridiazole" "219-991-8" "2593-15-9" "single chemical entity" "Component is a metabolite of the substance" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "" "67472-43-9" "5-Ethoxy-1,2,4-thiadiazole-3-carboxylic acid" "Not in list" "C5H6N2O3S" "CCOC1=NC(=NS1)C(=O)O" "InChI=1S/C5H6N2O3S/c1-2-10-5-6-3(4(8)9)7-11-5/h2H2,1H3,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "30" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Etridiazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance etridiazole" "40455" "2010" "doi:10.2903/j.efsa.2010.1823"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is identical to the substance" "Cyflufenamid" "" "180409-60-3" "N-[(cyclopropylmethoxyamino)-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide" "Cyflufenamid: sum of cyflufenamid (Z-isomer) and its E-isomer" "C20H17F5N2O2" "C1CC1CONC(=NC(=O)CC2=CC=CC=C2)C3=C(C=CC(=C3F)F)C(F)(F)F" "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "N'-(cyclopropylmethoxy)-2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C12H11F5N2O" "N/C(=N\OCC1CC1)c2c(ccc(F)c2F)C(F)(F)F" "InChI=1/C12H11F5N2O/c13-8-4-3-7(12(15,16)17)9(10(8)14)11(18)19-20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide" "Not in list" "C8H5F5N2" "Fc1c(C(=N)N)c(ccc1F)C(F)(F)F" "InChI=1/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "2,3-difluoro-6-(trifluoromethyl)benzamide" "" "" "2,3-difluoro-6-(trifluoromethyl)benzamide" "Not in list" "C8H4F5NO" "Fc1c(C(N)=O)c(ccc1F)C(F)(F)F" "InChI=1/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "" "" "3-({(Z)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}amino)-3-oxopropanoic acid" "Not in list" "C15H13F5N2O4" "FC(F)(F)c2ccc(F)c(F)c2C(\NC(=O)CC(=O)O)=N\OCC1CC1" "InChI=1/C15H13F5N2O4/c16-9-4-3-8(15(18,19)20)12(13(9)17)14(21-10(23)5-11(24)25)22-26-6-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,24,25)(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "" "" "N-{(E)-[(cyclopropylmethoxy)imino][2,3-difluoro-6-(trifluoromethyl)phenyl]methyl}-2-phenylacetamide" "Not in list" "C20H17F5N2O2" "FC(F)(F)c3ccc(F)c(F)c3C(/NC(=O)Cc1ccccc1)=N\OCC2CC2" "InChI=1/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropanecarboxylic acid" "217-162-5" "1759-53" "cyclopropanecarboxylic acid" "Not in list" "C4H6O2" "C1CC1C(=O)O" "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyflufenamid" "" "180409-60-3" "single chemical entity" "Component is a metabolite of the substance" "cyclopropylmethanol" "219-735-5" "2516-33-8" "cyclopropylmethanol" "Not in list" "C4H8O" "C1CC1CO" "InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Cyflufenamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance cyflufenamid" "39962" "2009" "doi:10.2903/j.efsa.2009.258r"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "20" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)-2-hexanoic acid" "" "" "(2E)-5-(4-chlorophenyl)-5-hydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hex-2-enoic acid" "Not in list" "C15H16ClN3O3" "OC(Cn1cncn1)(C(C)/C=C/C(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H16ClN3O3/c1-11(2-7-14(20)21)15(22,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h2-7,9-11,22H,8H2,1H3,(H,20,21)/b7-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is identical to the substance" "Cyproconazole" "" "94361-06-5" "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Cyproconazole" "C15H18ClN3O" "ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1" "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Cyproconazole (Addendum to the Draft Report and Proposed Decision)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is identical to the substance" "Cyprodinil" "" "121552-61-2" "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" "Cyprodinil" "C14H15N3" "CC1=NC(NC3=CC=CC=C3)=NC(C2CC2)=C1" "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-cyclopropyl-6-methyl-pyrimidine-2-ylamine" "" "92238-61-4" "4-cyclopropyl-6-methylpyrimidin-2-amine" "Not in list" "C8H11N3" "CC1=NC(=NC(=C1)C2CC2)N" "InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "3-(4-Cyclopropyl-6-methyl-pyrimidin-2-yl-amino)-phenol" "" "" "3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol" "Not in list" "" "Oc3cc(Nc1nc(C)cc(n1)C2CC2)ccc3" "InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-Amino-6-cyclopropyl-pyrimidin-4-yl)-methanol" "" "" "(2-amino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C8H11N3O" "Nc1nc(cc(CO)n1)C2CC2" "InChI=1/C8H11N3O/c9-8-10-6(4-12)3-7(11-8)5-1-2-5/h3,5,12H,1-2,4H2,(H2,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "4-Cyclopropyl-6-methyl-pyrimidin-2-ol" "" "" "4-cyclopropyl-6-methylpyrimidin-2-ol" "Not in list" "C8H10N2O" "Cc1cc(nc(O)n1)C2CC2" "InChI=1/C8H10N2O/c1-5-4-7(6-2-3-6)10-8(11)9-5/h4,6H,2-3H2,1H3,(H,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Cyprodinil" "" "121552-61-2" "single chemical entity" "Component is a metabolite of the substance" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "" "" "(2-anilino-6-cyclopropylpyrimidin-4-yl)methanol" "Not in list" "C14H15N3O" "C1CC1C2=CC(=NC(=N2)NC3=CC=CC=C3)CO" "InChI=1S/C14H15N3O/c18-9-12-8-13(10-6-7-10)17-14(16-12)15-11-4-2-1-3-5-11/h1-5,8,10,18H,6-7,9H2,(H,15,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Cypronidil" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyprodinil" "38747" "2006" "doi:10.2903/j.efsa.2006.51r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethomorph" "404-200-2" "110488-70-5" "single chemical entity" "Component is identical to the substance" "Dimethomorph" "404-200-2" "110488-70-5" "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" "Dimethomorph (sum of isomers)" "C21H22ClNO4" "COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC" "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" "organic" "representative isomer" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Germany" "Dimethomorph" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethomorph" "38919" "2006" "doi:10.2903/j.efsa.2006.82r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)oxalamic acid" "" "" "[(2,6-dimethylphenyl)(2-methoxyethyl)amino](oxo)acetic acid" "Not in list" "C13H17NO4" "O=C(O)C(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-methoxyethyl) carbamoyl]methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H18NNaO5S" "O=S(=O)(O[Na])CC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1/C13H19NO5S.Na/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18;/h4-6H,7-9H2,1-3H3,(H,16,17,18);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "(2,6-dimethylphenylcarbamoyl)-methanesulfonic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)amino]-2-oxoethanesulfonate" "Not in list" "C10H12NNaO4S" "O=C(Nc1c(C)cccc1C)CS(=O)(=O)O[Na]" "InChI=1/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "[(2,6-dimethylphenyl)-(2-sulfoacetyl)amino]acetic acid sodium salt" "" "" "sodium 2-[(2,6-dimethylphenyl)(2-methoxy-2-oxoethyl)amino]-2-oxoethanesulfonate" "Not in list" "C13H16NnaO6S" "O=S(=O)(O[Na])CC(=O)N(CC(=O)OC)c1c(C)cccc1C" "InChI=1/C13H17NO6S.Na/c1-9-5-4-6-10(2)13(9)14(7-12(16)20-3)11(15)8-21(17,18)19;/h4-6H,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "3-{2-[(2,6-dimethyl-phenyl)-(2-hydroxyacetyl)amino]ethylsulfanyl}-2-hydroxypropionic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(hydroxyacetyl)amino]ethyl}sulfanyl)-2-hydroxypropanoic acid" "Not in list" "C15H21NO5S" "O=C(O)C(O)CSCCN(C(=O)CO)c1c(C)cccc1C" "InChI=1/C15H21NO5S/c1-10-4-3-5-11(2)14(10)16(13(19)8-17)6-7-22-9-12(18)15(20)21/h3-5,12,17-18H,6-9H2,1-2H3,(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is a metabolite of the substance" "2-[(2-hydroxyacetyl)-(2-methoxyethyl)amino]-3-methylbenzoic acid" "" "" "2-[(hydroxyacetyl)(2-methoxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C13H17NO5" "OCC(=O)N(CCOC)c1c(C)cccc1C(=O)O" "InChI=1/C13H17NO5/c1-9-4-3-5-10(13(17)18)12(9)14(6-7-19-2)11(16)8-15/h3-5,15H,6-8H2,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Dimethachlor" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Dimethachlor" "256-625-6" "50563-36-5" "single chemical entity" "Component is identical to the substance" "Dimethachlor" "256-625-6" "50563-36-5" "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" "Dimethachlor" "C13H18ClNO2" "ClCC(=O)N(CCOC)c1c(C)cccc1C" "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Dimethachlor (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimethachlor" "39751" "2008" "doi:10.2903/j.efsa.2008.169r"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Diethofencarb" "403-870-3" "87130-20-9" "single chemical entity" "Component is identical to the substance" "Diethofencarb" "403-870-3" "87130-20-9" "isopropyl (3,4-diethoxyphenyl)carbamate" "Diethofencarb" "C14H21NO4" "O=C(OC(C)C)NC1=CC=C(OCC)C(OCC)=C1" "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Diethofencarb (Revised additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diethofencarb" "40441" "2010" "doi:10.2903/j.efsa.2010.1721"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is identical to the substance" "Etofenprox" "407-980-2" "80844-07-1" "1-Ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene" "Etofenprox" "C25H28O3" "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Etofenprox" "407-980-2" "80844-07-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-ethoxyphenyl)-2-methylpropyl 3-phenoxybenzoate" "" "117252-00-3" "[2-(4-ethoxyphenyl)-2-methylpropyl] 3-phenoxybenzoate" "Not in list" "C25H26O4" "CCOC1=CC=C(C=C1)C©©COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3" "InChI=1S/C25H26O4/c1-4-27-21-15-13-20(14-16-21)25(2,3)18-28-24(26)19-9-8-12-23(17-19)29-22-10-6-5-7-11-22/h5-17H,4,18H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Etofenprox" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance etofenprox" "39904" "2009" "doi:10.2903/j.efsa.2009.213r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is identical to the substance" "Dimoxystrobin" "" "149961-52-4" "(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide" "Dimoxystrobin" "C19H22N2O3" "CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC" "InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Dimoxystrobin" "" "149961-52-4" "single chemical entity" "Component is a metabolite of the substance" "((E)-2-(2-hydroxymethylphenyl)-2-methoxyimino-N-methyl-acetamide)" "" "" "(2E)-2-[2-(hydroxymethyl)phenyl]-2-(methoxyimino)-N-methylacetamide" "Not in list" "C11H14N2O3" "OCc1ccccc1/C(=N\OC)C(=O)NC" "InChI=1S/C11H14N2O3/c1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14/h3-6,14H,7H2,1-2H3,(H,12,15)/b13-10+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimoxystrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dimoxystrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.46r"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Disodium phosphonate" "237-249-1" "13708-85-5" "single chemical entity" "Component is identical to the substance" "Disodium phosphonate" "237-249-1" "13708-85-5" "Disodium phosphonate" "Not in list" "H3O3P.2Na" "[O-]P(=O)=O.[Na+].[Na+]" "InChI=1S/2Na.HO3P/c;;1-4(2)3/h;;(H,1,2,3)/q2*+1;/p-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Disodium phosphonate (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance disodium phosphonate." "41425" "2013" "doi:10.2903/j.efsa.2013.3213"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is identical to the substance" "Bitertanol" "259-513-5" "55179-31-2" "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Bitertanol" "C20H23N3O2" "CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3" "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Bifenthrin" "617-373-6" "82657-04-3" "single chemical entity" "Component is identical to the substance" "Bifenthrin" "617-373-6" "82657-04-3" "(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Bifenthrin" "C23H22ClF3O2" "O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Bifenthrin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bifenthrin" "40682" "2011" "doi:10.2903/j.efsa.2011.2159"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "large colonies" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "small colonies" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "large colonies" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "large colonies" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "large colonies" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "small colonies" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "large colonies" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "large colonies" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "small colonies" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol" "216-350-4" "1563-38-8" "2,2-dimethyl-3H-1-benzofuran-7-ol" "Not in list" "C10H12O2" "CC1(CC2=C(O1)C(=CC=C2)O)C" "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "" "16655-82-6" "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" "Not in list" "C12H15NO4" "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Diphenylamine" "204-539-4" "122-39-4" "single chemical entity" "Component is identical to the substance" "Diphenylamine" "204-539-4" "122-39-4" "N-phenylaniline" "Diphenylamine" "C12H11N" "N(c1ccccc1)c2ccccc2" "InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: unspecified" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Diphenylamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diphenylamine" "40933" "2012" "doi:10.2903/j.efsa.2012.2486"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin benzoate" "" "155569-91-8" "-" "Not in list" "C56H81NO15" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]" "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin benzoate" "" "155569-91-8" "-" "Not in list" "C56H81NO15" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]" "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin Hydrochloride" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin benzoate" "" "155569-91-8" "-" "Not in list" "C56H81NO15" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]" "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin benzoate" "" "155569-91-8" "-" "Not in list" "C56H81NO15" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]" "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Emamectin" "605-015-1" "119791-41-2" "single chemical entity" "Component is part of a group assessment" "Emamectin benzoate" "" "155569-91-8" "-" "Not in list" "C56H81NO15" "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)[NH2+]C)OC)OC)C)C.C1=CC=C(C=C1)C(=O)[O-]" "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Emamectin" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance emamectin" "41234" "2012" "doi:10.2903/j.efsa.2012.2955"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is identical to the substance" "Bispyribac-sodium" "" "125401-92-5" "Sodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C19H17N4NaO8" "COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]" "InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxy-4,6-dimethoxypyrimidine" "" "13223-26-2" "4,6-dimethoxy-1H-pyrimidin-2-one" "Not in list" "C6H8N2O3" "COC1=CC(=NC(=O)N1)OC" "InChI=1S/C6H8N2O3/c1-10-4-3-5(11-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2,4-dihydroxy-6-methoxypyrimidine" "" "29458-38-6" "6-methoxy-1H-pyrimidine-2,4-dione" "Not in list" "C5H6N2O3" "COC1=CC(=O)NC(=O)N1" "InChI=1S/C5H6N2O3/c1-10-4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxy-5-hydroxypyrimidin-2-yl)oxy-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid" "Not in list" "C19H18N4O9" "COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(OC)c(O)c(OC)n2)c3C(=O)O" "InChI=1/C19H18N4O9/c1-27-11-8-12(28-2)21-18(20-11)31-9-6-5-7-10(13(9)17(25)26)32-19-22-15(29-3)14(24)16(23-19)30-4/h5-8,24H,1-4H3,(H,25,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-hydroxy-6-(4-hydroxy-6-methoxypyrimidin-2-yl)oxybenzoate" "" "" "sodium 2-hydroxy-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C12H5N2NaO6" "[Na+].[O-]C(=O)c2c(Oc1nc(O)cc(OC)n1)cccc2O" "InChI=1/C12H10N2O6.Na/c1-19-9-5-8(16)13-12(14-9)20-7-4-2-3-6(15)10(7)11(17)18;/h2-5,15H,1H3,(H,17,18)(H,13,14,16);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-hydroxybenzoic acid" "" "" "2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-hydroxybenzoic acid" "Not in list" "C13H12N2O3" "O=C(O)c2c(Oc1nc(cc(OC)n1)OC)cccc2O" "InChI=1/C13H12N2O6/c1-19-9-6-10(20-2)15-13(14-9)21-8-5-3-4-7(16)11(8)12(17)18/h3-6,16H,1-2H3,(H,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Bispyribac-sodium" "" "125401-92-5" "single chemical entity" "Component is a metabolite of the substance" "benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(4-hydroxy-6-methoxy-2-pyrimidinyl)oxy],sodium salt" "" "" "sodium 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[(4-hydroxy-6-methoxypyrimidin-2-yl)oxy]benzoate" "Not in list" "C18H15N4NaO8" "[Na+].Oc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O" "InChI=1/C18H16N4O8.Na/c1-26-12-7-11(23)19-17(20-12)29-9-5-4-6-10(15(9)16(24)25)30-18-21-13(27-2)8-14(22-18)28-3;/h4-8H,1-3H3,(H,24,25)(H,19,20,23);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Bispyribac-Sodium" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bispyribac (unless otherwise stated all data evaluated refer to the variant bispyribac-sodium)" "40476" "2010" "doi:10.2903/j.efsa.2010.1692"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is a metabolite of the substance" "6,6’-difluoro-2,2’-dibenzothiazole" "" "" "6,6'-difluoro-2,2'-bibenzo[d]thiazole" "Not in list" "C14H6F2N2S2" "Fc1ccc2nc(sc2c1)c3nc4ccc(F)cc4s3" "InChI=1S/C14H6F2N2S2/c15-7-1-3-9-11(5-7)19-13(17-9)14-18-10-4-2-8(16)6-12(10)20-14/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "3" "Male" "Not reported" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is identical to the substance" "Clethodim" "" "99129-21-2" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim" "C17H26ClNO3S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O" "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "3" "Male" "Not reported" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxy-2-(1-iminopropan-1-yl)cyclohex-2-en-1-one" "" "" "5-[2-(ethylsulfonyl)propyl]-3-hydroxy-2-propanimidoylcyclohex-2-en-1-one" "Clethodim-Imin-Sulfon" "C14H23NO4S" "CCC(=N)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1/C14H23NO4S/c1-4-11(15)14-12(16)7-10(8-13(14)17)6-9(3)20(18,19)5-2/h9-10,15-16H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3,5-dihydroxycyclohex-2-en-1-one" "Clethodim, 5-Hydroxy-Sulfon" "C17H26ClNO6S" "OC1(CC(C)S(=O)(=O)CC)CC(O)=C(C(=O)C1)C(\CC)=N\OC\C=C\Cl" "InChI=1S/C17H26ClNO6S/c1-4-13(19-25-8-6-7-18)16-14(20)10-17(22,11-15(16)21)9-12(3)26(23,24)5-2/h6-7,12,20,22H,4-5,8-11H2,1-3H3/b7-6+,19-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "Not reported" "" "" "no data" "not applicable" "Inconclusive" "" "no evidence" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-{(EZ)-1-[(E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylsulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "" "" "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethanesulfonyl)propyl]-3-hydroxycyclohex-2-en-1-one" "Clethodim-Sulfon" "C17H26ClNO5S" "CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)S(=O)(=O)CC)CC1=O" "InChI=1S/C17H26ClNO5S/c1-4-14(19-24-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)25(22,23)5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "2-ethyl-6-[(2RS)-2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "" "" "2-ethyl-6-[2-(ethylsulfonyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one" "Not in list" "C14H21NO4S" "CCS(=O)(=O)C(C)CC2Cc1oc(nc1C(=O)C2)CC" "InChI=1/C14H21NO4S/c1-4-13-15-14-11(16)7-10(8-12(14)19-13)6-9(3)20(17,18)5-2/h9-10H,4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is identical to the substance" "Ethametsulfuron methyl" "" "97780-06-8" "methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate" "Ethametsulfuron-Methyl" "C15H18N6O6S" "CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "" "" "1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea" "Not in list" "C7H12N6O2" "CCOc1nc(nc(NC(N)=O)n1)NC" "InChI=1/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-N-methyl-1,3,5-triazine-2,4-diamine" "403-580-7" "62096-63-3" "6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine" "Not in list" "C6H11N5O" "CCOC1=NC(=NC(=N1)NC)N" "InChI=1S/C6H11N5O/c1-3-12-6-10-4(7)9-5(8-2)11-6/h3H2,1-2H3,(H3,7,8,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl] benzoic acid" "" "" "2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid" "Not in list" "C14H16N6O6S" "CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2)NC" "InChI=1/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "" "" "methyl 2-({[4-hydroxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate" "Not in list" "C13H14N6O6S" "CNc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C13H14N6O6S/c1-14-10-15-11(17-12(21)16-10)18-13(22)19-26(23,24)8-6-4-3-5-7(8)9(20)25-2/h3-6H,1-2H3,(H4,14,15,16,17,18,19,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl} benzoic acid" "" "" "2-{[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid" "Not in list" "C13H14N6O6S" "CCOc2nc(N)nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)O)n2" "InChI=1/C13H14N6O6S/c1-2-25-13-16-10(14)15-11(18-13)17-12(22)19-26(23,24)8-6-4-3-5-7(8)9(20)21/h3-6H,2H2,1H3,(H,20,21)(H4,14,15,16,17,18,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoylbenzoic acid" "211-174-4" "632-24-6" "2-sulfamoylbenzoic acid" "Not in list" "C7H7NO4S" "C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N" "InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl] sulfamoyl}benzoate" "" "" "methyl 2-{[(4-amino-6-hydroxy-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" "Not in list" "C12H12N6O6S" "Nc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(O)n2" "InChI=1/C12H12N6O6S/c1-24-8(19)6-4-2-3-5-7(6)25(22,23)18-12(21)17-10-14-9(13)15-11(20)16-10/h2-5H,1H3,(H5,13,14,15,16,17,18,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 2)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 4)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 4)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 4)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethametsulfuron methyl" "" "97780-06-8" "single chemical entity" "Component is a metabolite of the substance" "6-ethoxy-1,3,5-triazine-2,4-diamine" "" "2827-44-3" "6-ethoxy-1,3,5-triazine-2,4-diamine" "Not in list" "C5H9N5O" "CCOC1=NC(=NC(=N1)N)N" "InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Ethametsulfuron methyl (Addendum 4)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ethametsulfuron (evaluated variant ethametsulfuron-methyl)" "41841" "2014" "doi:10.2903/j.efsa.2014.3787"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "30" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "yes" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "72" "h" "yes" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Ethoprophos" "236-152-1" "13194-48-4" "single chemical entity" "Component is identical to the substance" "Ethoprophos" "236-152-1" "13194-48-4" "O-ethyl S,S-dipropyl dithiophosphate" "Ethoprophos" "C8H19O2PS2" "O=P(SCCC)(OCC)SCCC" "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "24" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Ethoprophos" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethoprophos" "38835" "2006" "doi:10.2903/j.efsa.2006.66r"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Female" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Female" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "3" "Female" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Dithianon" "222-098-6" "3347-22-6" "single chemical entity" "Component is identical to the substance" "Dithianon" "222-098-6" "3347-22-6" "5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile" "Dithianon" "C14H4N2O2S2" "O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13" "InChI=1/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "3" "Female" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Dithianon (Additional Report to DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dithianon" "40507" "2010" "doi:10.2903/j.efsa.2010.1904"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1978" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1978" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is identical to the substance" "Chlorthal-dimethyl" "217-464-7" "1861-32-1" "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate" "Chlorthal-dimethyl" "C10H6Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male" "oral: gavage" "" "" "yes" "not applicable" "Positive" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "7" "Male/Female" "Not reported" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "7" "Male/Female" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "2,3,5,6-tetrachloroterephthalic acid" "" "2136-79-0" "2,3,5,6-tetrachloroterephthalic acid" "Not in list" "C8H2Cl4O4" "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "7" "Male/Female" "Not reported" "48" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Greece" "Chlorthal-dimethyl" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Chlorthal-dimethyl" "217-464-7" "1861-32-1" "single chemical entity" "Component is a metabolite of the substance" "4-carbomethoxy-2,3,5,6-tetrachlorobenzoic acid" "" "887-54-7" "2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid" "Not in list" "C9H4Cl4O4" "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl" "InChI=1S/C9H4Cl4O4/c1-17-9(16)3-6(12)4(10)2(8(14)15)5(11)7(3)13/h1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Chlorthal-dimethyl (Addendum 1 to annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the focussed peer review of the pesticide risk assessment of the active substance chlorthal-dimethyl" "40081" "2009" "doi:10.2903/j.efsa.2009.202r"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is identical to the substance" "Benalaxyl-M" "" "98243-83-5" "methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-D-alaninate" "Benalaxyl-M" "C20H23NO3" "C[C@@H](N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is part of a group assessment" "Benalaxyl" "275-728-7" "71626-11-4" "Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate" "Benalaxyl" "C20H23NO3" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is identical to the substance" "Cyantraniliprole" "" "736994-63-1" "3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Not in list" "C19H14BrClN6O2" "CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N" "InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "" "" "4-({[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-5-(methylcarbamoyl)benzoic acid" "Not in list" "C19H15BrClN5O4" "O=C(O)c3cc(C)c(NC(=O)c2cc(Br)nn2c1ncccc1Cl)c(c3)C(=O)NC" "InChI=1/C19H15BrClN5O4/c1-9-6-10(19(29)30)7-11(17(27)22-2)15(9)24-18(28)13-8-14(20)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)(H,29,30)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-1,4-dihydroquinazoline-6-carboxylic acid" "Not in list" "C18H11BrClN5O3" "O=C(O)c1cc2C(=O)N=C(Nc2c(C)c1)c4cc(Br)nn4c3ncccc3Cl" "InChI=1/C18H11BrClN5O3/c1-8-5-9(18(27)28)6-10-14(8)22-15(23-17(10)26)12-7-13(19)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,27,28)(H,22,23,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "" "" "6-chloro-4-methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-2-carbonitrile" "Not in list" "C14H8ClN3O" "Cc3cc(C#N)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C14H8ClN3O/c1-8-5-9(7-16)6-10-12(8)17-13-11(15)3-2-4-18(13)14(10)19/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-piperidyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(piperidin-1-yl)propan-1-one" "Not in list" "C15H21NO3" "Oc1ccc(cc1OC)C(=O)CCN2CCCCC2" "InChI=1/C15H21NO3/c1-19-15-11-12(5-6-14(15)18)13(17)7-10-16-8-3-2-4-9-16/h5-6,11,18H,2-4,7-10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is a metabolite of the substance" "3-pyrrolidinyl-1-(3’-methoxy-4’-hydroxyphenyl)-1-propanone" "" "" "1-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-one" "Not in list" "C14H19NO3" "O=C(CCN1CCCC1)c2ccc(O)c(OC)c2" "InChI=1S/C14H19NO3/c1-18-14-10-11(4-5-13(14)17)12(16)6-9-15-7-2-3-8-15/h4-5,10,17H,2-3,6-9H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1964" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1531" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ddy mouse" "6" "Male" "Not reported" "18" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ddy mouse" "6" "Male" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "" "Male" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "" "Male" "oral: gavage" "" "" "no data" "not applicable" "Positive" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "8" "Male" "intraperitoneal" "30" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "8" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "8" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "30" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "2" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "2" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "30" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "4" "Male" "oral: feed" "58" "D" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "4" "Male" "oral: feed" "58" "D" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "10" "D" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "10" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "" "" "No data" "oral: capsule" "22" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "" "" "No data" "oral: capsule" "22" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "" "" "No data" "oral: capsule" "8" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "" "" "No data" "oral: capsule" "8" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Eugenol" "202-589-1" "97-53-0" "single chemical entity" "Component is identical to the substance" "Eugenol" "202-589-1" "97-53-0" "2-Methoxy-4-prop-2-enylphenol" "Not in list" "C10H12O2" "COC1=C(C=CC(=C1)CC=C)O" "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Eugenol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance eugenol" "41218" "2012" "doi:10.2903/j.efsa.2012.2914"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is identical to the substance" "Chlorantraniliprole" "" "500008-45-7" "3-Bromo-4'-chloro-1-(3 chloro-2-pyridyl)-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide" "Chlorantraniliprole (DPX E-2Y45)" "C18H14BrCl2N5O2" "CC1=C(C(=CC(=C1)Cl)C(=O)NC)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br" "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1Hpyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C18H12BrCl2N5O" "Cc4cc(Cl)cc3c4N=C(c2cc(Br)nn2c1ncccc1Cl)N(C)C3=O" "InChI=1/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "" "" "2-(3-bromo-1H-pyrazol-5-yl)-6-chloro-3,8-dimethylquinazolin-4(3H)-one" "Not in list" "C13H10BrClN4O" "Brc1cc(nn1)C2=Nc3c(C)cc(Cl)cc3C(=O)N2C" "InChI=1/C13H10BrClN4O/c1-6-3-7(15)4-8-11(6)16-12(19(2)13(8)20)9-5-10(14)18-17-9/h3-5H,1-2H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "" "" "2,6-dichloro-4-methyl-11H-pyrido[2,1-b]quinazolin-11-one" "Not in list" "C13H8Cl2N2O" "Cc3cc(Cl)cc2c3N=C1C(Cl)=CC=CN1C2=O" "InChI=1/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Chlorantraniliprole" "" "500008-45-7" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "" "" "3-bromo-N-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C5H6BrN3O" "O=C(NC)c1cc(Br)nn1" "InChI=1/C5H6BrN3O/c1-7-5(10)3-2-4(6)9-8-3/h2H,1H3,(H,7,10)(H,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Chlorantraniliprole" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorantraniliprole." "41431" "2013" "doi:10.2903/j.efsa.2013.3143"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1978" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1978" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: unspecified" "96" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "48" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "mixture or formulation" "Component is the active ingredient of the mixture or formulation" "Carbosulfan formulation (Marshal 25CS)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male/Female" "intraperitoneal" "12" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "mixture or formulation" "Component is the active ingredient of the mixture or formulation" "Carbosulfan formulation (Marshal 25CS)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "mixture or formulation" "Component is the active ingredient of the mixture or formulation" "Carbosulfan formulation (Marshal 25CS)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male/Female" "intraperitoneal" "6" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "4" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "SwissWebster" "5" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "22" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "22" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is a metabolite of the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbofuran" "216-353-0" "1563-66-2" "single chemical entity" "Component is identical to the substance" "Carbofuran" "216-353-0" "1563-66-2" "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" "Carbofuran" "C12H15NO3" "CNC(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbofuran (Annex B)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Carbofuran" "40004" "2009" "doi:10.2903/j.efsa.2009.310r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Chloridazon (Final Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Chloridazon (Final Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon (Final Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is identical to the substance" "Chloridazon" "216-920-2" "1698-60-8" "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" "Chloridazon" "C10H8ClN3O" "NC1=C(Cl)C(=O)N(N=C1)c2ccccc2" "InChI=1/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Chloridazon (Final Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-3(2H)-pyridazinone" "" "6339-19-1" "4-amino-5-chloro-1H-pyridazin-6-one" "Not in list" "C4H4ClN3O" "C1=NNC(=O)C(=C1N)Cl" "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: unspecified" "20" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chloridazon" "216-920-2" "1698-60-8" "single chemical entity" "Component is a metabolite of the substance" "5-amino-4-chloro-2-methyl-3(2H)-pyridazinone" "605-639-4" "17254-80-7" "5-amino-4-chloro-2-methylpyridazin-3-one" "Not in list" "C5H6ClN3O" "CN1C(=O)C(=C(C=N1)N)Cl" "InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: unspecified" "44" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Chloridazon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chloridazon" "39307" "2007" "doi:10.2903/j.efsa.2007.108r"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is identical to the substance" "Chromafenozide" "" "143807-66-3" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide" "Chromafenozide" "C24H30N2O3" "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C" "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N‟-tert-butyl-N‟-(5-methyl-6-chromancarbonyl)-5-methyl-6-chroman-carbohydrazide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "" "" "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-hydroxy-5-methylchromane-6-carbohydrazide" "Not in list" "C24H30N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "" "" "N'-tert-butyl-N'-[(3,5-dimethylphenyl)carbonyl]-5-methyl-2-oxo-3,4-dihydro-2H-chromene-6-carbohydrazide" "Not in list" "C24H28N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c3ccc2OC(=O)CCc2c3C)C(C)(C)C" "InChI=1/C24H28N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)19-7-9-20-18(16(19)3)8-10-21(27)30-20/h7,9,11-13H,8,10H2,1-6H3,(H,25,28)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chromafenozide" "" "143807-66-3" "single chemical entity" "Component is a metabolite of the substance" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "" "" "3-({1-tert-butyl-2-[(4-hydroxy-5-methyl-3,4-dihydro-2H-chromen-6-yl)carbonyl]hydrazinyl}carbonyl)-5-methylbenzoic acid" "Not in list" "C24H28N2O6" "O=C(O)c1cc(C)cc(c1)C(=O)N(NC(=O)c3ccc2OCCC(O)c2c3C)C(C)(C)C" "InChI=1/C24H28N2O6/c1-13-10-15(12-16(11-13)23(30)31)22(29)26(24(3,4)5)25-21(28)17-6-7-19-20(14(17)2)18(27)8-9-32-19/h6-7,10-12,18,27H,8-9H2,1-5H3,(H,25,28)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Chromafenozide" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chromafenozide." "41621" "2013" "doi:10.2903/j.efsa.2013.3461"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Klebsiella pneumoniae (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Citrobacter (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "40" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Chlormequat chloride" "213-666-4" "999-81-5" "single chemical entity" "Component is identical to the substance" "Chlormequat chloride" "213-666-4" "999-81-5" "2-Chloroethyl(trimethyl)azanium;chloride" "Chlormequat" "C5H13Cl2N" "C[N+](C)(C)CCCl.[Cl-]" "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Chlormequat-chloride" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance chlormequat (considered variant chlormequat chloride)" "39869" "2009" "doi:10.2903/j.efsa.2009.179r"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is identical to the substance" "Cyflumetofen" "" "400882-07-7" "2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate" "Cyflumetofen" "C24H24F3NO4" "CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC" "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "Alpha,alpha,alpha-trifluoro-o-toluic acid" "207-093-9" "433-97-6" "2-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "C1=CC=C(C(=C1)C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Cyflumetofen" "" "400882-07-7" "single chemical entity" "Component is a metabolite of the substance" "2-(Trifluoromethyl) benzamide" "206-637-2" "360-64-5" "2-(trifluoromethyl)benzamide" "Not in list" "C8H6F3NO" "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Cyflumetofen (OK-5101)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyflumetofen" "40931" "2012" "doi:10.2903/j.efsa.2012.2504"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "5" "Male" "intraperitoneal" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is identical to the substance" "Carfentrazone-ethyl" "603-291-8" "128639-02-1" "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate" "Carfentrazone-ethyl" "C15H14Cl2F3N3O3" "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propionic acid" "603-289-7" "128621-72-7" "2-chloro-3-{2-chloro-5-[4-
+(difluoromethyl)-3-methyl-5-oxo-
+1,2,4-triazol-1-yl]-4-
+fluorophenyl}propanoic acid" "Not in list" "C13H10Cl2F3N3O3" "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F" "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "" "2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3O3" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C11H7ClF3N3O3/c1-4-16-18(11(21)17(4)10(14)15)8-2-5(9(19)20)6(12)3-7(8)13/h2-3,10H,1H3,(H,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C13H11ClF3N3O3" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h4-5,12H,2-3H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}-2-sulfopropanoic acid" "Not in list" "C13H11ClF3N3O6S" "O=C(O)C(Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F)S(=O)(=O)O" "InChI=1/C13H11ClF3N3O6S/c1-5-18-20(13(23)19(5)12(16)17)9-2-6(7(14)4-8(9)15)3-10(11(21)22)27(24,25)26/h2,4,10,12H,3H2,1H3,(H,21,22)(H,24,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "" "380885-65-4" "2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-4-fluorobenzoic acid" "Not in list" "C11H7ClF3N3O4" "C1=C(C(=CC(=C1N2C(=O)N(C(=N2)CO)C(F)F)F)Cl)C(=O)O" "InChI=1S/C11H7ClF3N3O4/c12-5-2-6(13)7(1-4(5)9(20)21)18-11(22)17(10(14)15)8(3-19)16-18/h1-2,10,19H,3H2,(H,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "97986-18-0" "2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one" "Not in list" "C11H9ClF3N3O2" "CC1=NN(C(=O)N1C(F)F)C2=CC(=C(C=C2F)Cl)OC" "InChI=1S/C11H9ClF3N3O2/c1-5-16-18(11(19)17(5)10(14)15)8-4-9(20-2)6(12)3-7(8)13/h3-4,10H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "1-(5-Carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "" "" "1-(5-carboxy-4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C11H5ClF3N3O5" "O=C(O)c1cc(c(F)cc1Cl)N2N=C(N(C2=O)C(F)F)C(=O)O" "InChI=1/C11H5ClF3N3O5/c12-4-2-5(13)6(1-3(4)8(19)20)18-11(23)17(10(14)15)7(16-18)9(21)22/h1-2,10H,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "Carfentrazone ethyl lysimeter percolate" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "20" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "20" "Male/Female" "Not reported" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "20" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "12" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "12" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "12" "Male/Female" "intraperitoneal" "30" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "6" "Female" "oral: feed" "7" "D" "yes" "not applicable" "Ambiguous" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "54" "Male" "Not reported" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is identical to the substance" "Diuron" "206-354-4" "330-54-1" "3-(3,4-dichlorophenyl)-1,1-dimethylurea" "Diuron" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "54" "Male" "Not reported" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "Monuron" "205-766-1" "150-68-5" "3-(4-chlorophenyl)-1,1-dimethylurea" "Monuron" "C9H11ClN2O" "CN(C)C(=O)NC1=CC=C(C=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-chlorophenyl)-1,1-dimethyl urea" "" "587-34-8" "3-(3-chlorophenyl)-1,1-dimethylurea" "Not in list" "C9H11ClN2O" "CN(C)C(=O)NC1=CC(=CC=C1)Cl" "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Diuron" "206-354-4" "330-54-1" "single chemical entity" "Component is a metabolite of the substance" "(3,5-dichlorophenyl)-1,1-dimethyl urea" "" "10290-38-7" "3-(3,5-dichlorophenyl)-1,1-dimethylurea" "Not in list" "C9H10Cl2N2O" "CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl" "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Diuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Diuron" "38380" "2005" "doi:10.2903/j.efsa.2005.25r"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is identical to the substance" "Cycloxydim" "" "101205-02-1" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Cycloxydim" "C17H27NO3S" "CCC/C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2" "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethoxyimino)butyl]-3,5-dihydroxy-5-(3-thianyl)-2-cycloexene-1-one S-oxide" "" "" "3-{4-[(1E)-N-ethoxybutanimidoyl]-1,3-dihydroxy-5-oxocyclohex-3-en-1-yl}-14-thian-1-one" "Not in list" "C17H27NO5S" "O=S1CCCC(C1)C2(O)CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO5S/c1-3-6-13(18-23-4-2)16-14(19)9-17(21,10-15(16)20)12-7-5-8-24(22)11-12/h12,19,21H,3-11H2,1-2H3/b18-13+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "2-[1-(ethylimino)butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one S-oxide" "" "" "2-[(1E)-N-ethoxybutanimidoyl]-3-hydroxy-5-(1-oxidotetrahydro-2H-thiopyran-3-yl)cyclohex-2-en-1-one" "Not in list" "C17H27NO4S" "O=S1CCCC(C1)C2CC(=O)C(C(\CCC)=N\OCC)=C(O)C2" "InChI=1/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM881" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM881" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoic acid" "" "" "2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoic acid" "Not in list" "C11H14O6S" "CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C(=O)O" "InChI=1/C11H14O6S/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16/h4-6,12H,1-3H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoate" "" "" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoate" "Not in list" "C11H13NaO6S" "[Na+].CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C([O-])=O" "InChI=1/C11H14O6S.Na/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16;/h4-6,12H,1-3H3,(H,13,14);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoate" "" "" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoate" "Not in list" "C11H13NaO6S" "[Na+].CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C([O-])=O" "InChI=1/C11H14O6S.Na/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16;/h4-6,12H,1-3H3,(H,13,14);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoate" "" "" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoate" "Not in list" "C11H13NaO6S" "[Na+].CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C([O-])=O" "InChI=1/C11H14O6S.Na/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16;/h4-6,12H,1-3H3,(H,13,14);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is a metabolite of the substance" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)methyl]phenyl}-2-methylpropanoate" "" "" "sodium 2-{2-hydroxy-5-[(methylsulfonyl)oxy]phenyl}-2-methylpropanoate" "Not in list" "C11H13NaO6S" "[Na+].CC(C)(c1cc(ccc1O)OS(C)(=O)=O)C([O-])=O" "InChI=1/C11H14O6S.Na/c1-11(2,10(13)14)8-6-7(4-5-9(8)12)17-18(3,15)16;/h4-6,12H,1-3H3,(H,13,14);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "no" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "no" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "no" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "Not reported" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is identical to the substance" "Chlorpyrifos" "220-864-4" "2921-88-2" "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" "Chlorpyrifos" "C9H11Cl3NO3PS" "S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC" "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "Not reported" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Chlorpyrifos" "220-864-4" "2921-88-2" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Chlorpyrifos" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance chlorpyrifos" "40574" "2011" "doi:10.2903/j.efsa.2011.1961"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA1978" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM571" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM611" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Inconclusive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY5027" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY4015" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY5027" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY4015" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "5-hydroxy-benzimidazol-2-yl" "" "22769-68-2" "methyl N-(6-hydroxy-1H-benzimidazol-2-yl)carbamate" "Not in list" "C9H9N3O3" "COC(=O)NC1=NC2=C(N1)C=C(C=C2)O" "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male/Female" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "Female" "Not reported" "" "" "yes" "not applicable" "Inconclusive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: unspecified" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "4" "No data" "oral: unspecified" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "4" "No data" "oral: unspecified" "30" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "" "" "no data" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "" "" "no data" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "22" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: gavage" "22" "D" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "3" "Male" "oral: gavage" "25" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "2-(4-tert-butylphenyl)ethanol" "" "34386-42-0" "1-(4-tert-butylphenyl)ethanol" "Not in list" "C12H18O" "CC(C1=CC=C(C=C1)C(C)(C)C)O" "InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Greece" "Fenazaquin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is a metabolite of the substance" "quinazolin-4-ol" "207-735-8" "491-36-1" "1H-quinazolin-4-one" "Not in list" "C8H6N2O" "C1=CC=C2C(=C1)C(=O)N=CN2" "InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fenazaquin (Addendum to DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Fenazaquin" "" "120928-09-8" "single chemical entity" "Component is identical to the substance" "Fenazaquin" "" "120928-09-8" "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline" "Fenazaquin" "C20H22N2O" "CC(C)(C)C3=CC=C(C=C3)CCOC1=NC=NC2=C1C=CC=C2" "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Greece" "Fenazaquin (Additional report to volume 3)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenazaquin" "41368" "2013" "doi:10.2903/j.efsa.2013.3166"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is part of a group assessment" "Geranyl acetate" "203-341-5" "105-87-3" "[(2E)-3,7-dimethylocta-2,6-dienyl] acetate" "Not in list" "C12H20O2" "CC(=CCCC(=CCOC(=O)C)C)C" "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Geraniol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Carbaryl" "200-555-0" "63-25-2" "single chemical entity" "Component is identical to the substance" "Carbaryl" "200-555-0" "63-25-2" "1-naphthyl methylcarbamate" "Carbaryl" "C12H11NO2" "CNC(=O)Oc1cccc2ccccc12" "InChI=1/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Carbaryl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance carbaryl" "38881" "2006" "doi:10.2903/j.efsa.2006.80r"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Fenpyroximate" "" "134098-61-6" "single chemical entity" "Component is identical to the substance" "Fenpyroximate" "" "134098-61-6" "Tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate" "Fenpyroximate" "C24H27N3O4" "CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Fenpyroximate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyroximate" "41621" "2013" "doi:10.2903/j.efsa.2013.3493"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "no information" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "8" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "8" "No data" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "8" "No data" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "3" "Male" "oral: unspecified" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "intraperitoneal" "4" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "intraperitoneal" "6" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "intraperitoneal" "4" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male" "oral: gavage" "66" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "200" "Male" "oral: feed" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "small colonies" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "inhalation: unspecified" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "inhalation: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "inhalation: unspecified" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "inhalation: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "inhalation: unspecified" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "other" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "inhalation: unspecified" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male/Female" "intraperitoneal" "6" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male/Female" "intraperitoneal" "6" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "4" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "Rat (as animal)" "Wistar" "24" "Male" "inhalation: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "inhalation: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 pKM 101 E. coli" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 pKM 101 E. coli" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is identical to the substance" "Fluazifop-P-butyl" "" "79241-46-6" "Butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Fluazifop-P-butyl" "C19H20F3NO4" "CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "direct evidence-cytotoxicity" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Fluazifop-P" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fluazifop-P (Addendum to the Additional Report of Volume 3 B6 – B7)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Fluazifop-P-butyl" "" "79241-46-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fluazifop-P (Addendum to the Additional Report of Volume 3 B6 – B7)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluazifop-P (evaluated variant fluazifop-P-butyl)" "41221" "2012" "doi:10.2903/j.efsa.2012.2945"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "LT2 S. typhimurium" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Aspergillus nidulans (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Ambiguous" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Ambiguous" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Ambiguous" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Ambiguous" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "XV 185-14C S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "XV 185-14C S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CHY832 E. coli" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CHY832 E. coli" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Aspergillus nidulans (as organism)" "Strain P Aspergillus nidulans" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Aspergillus nidulans (as organism)" "Strain P Aspergillus nidulans" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Aspergillus nidulans (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T2 S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T2 S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "58-161 E.coli" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY4015" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "GY5027" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T2 S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T2 S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain T1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "3T3" "" "" "Not reported" "" "" "no data" "without" "Ambiguous" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Female" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "" "Male" "oral: feed" "49" "D" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Hungary" "Amitrole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Amitrole" "200-521-5" "61-82-5" "single chemical entity" "Component is identical to the substance" "Amitrole" "200-521-5" "61-82-5" "1-H-1,2,4-triazol-3-amine" "Amitrole" "C2H4N4" "C1=NNC(=N1)N" "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Amitrole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance amitrole" "41821" "2014" "doi:10.2903/j.efsa.2014.3742"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Tif:RAIf(SPF) Rat" "4" "Male" "oral: gavage" "3" "D" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Tif:RAIf(SPF) Rat" "5" "Male" "oral: gavage" "3" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Tif:RAIf(SPF) Rat" "4" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Tif:RAIf(SPF) Rat" "4" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is identical to the substance" "Fludioxonil" "" "131341-86-1" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile" "Fludioxonil" "C12H6F2N2O2" "FC3(F)OC(C(O3)=CC=C2)=C2C1=CNC=C1C#N" "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "30" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "(2,2-difluoro-benzo[1,3]dioxol-4-carbocyclic acid" "" "" "2,2-difluoro-1,3-benzodioxole-4-carboxylic acid" "Not in list" "C8H4F2O4" "O=C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile" "Not in list" "C12H4F2N2O4" "N#CC=3C(=O)NC(=O)C=3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H4F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2-hydroxy-acetamide" "" "" "2-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetamide" "Not in list" "C9H7F2NO4" "NC(=O)C(O)c1cccc2OC(F)(F)Oc12" "InChI=1/C9H7F2NO4/c10-9(11)15-5-3-1-2-4(7(5)16-9)6(13)8(12)14/h1-3,6,13H,(H2,12,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "4-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-2,5-dioxo-pyrrolidine-3-carbonitrile" "" "" "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,5-dioxopyrrolidine-3-carbonitrile" "Not in list" "C12H6F2N2O4" "O=C3NC(=O)C(C#N)C3c1cccc2OC(F)(F)Oc12" "InChI=1/C12H6F2N2O4/c13-12(14)19-7-3-1-2-5(9(7)20-12)8-6(4-15)10(17)16-11(8)18/h1-3,6,8H,(H,16,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "no information" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"Fludioxonil" "" "131341-86-1" "single chemical entity" "Component is a metabolite of the substance" "3-carbamoyl-2-cyano-3-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-oxirane-2-carbocyclic acid" "" "" "3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid" "Not in list" "C12H6F2N2O6" "O=C(O)C3(C#N)OC3(c1cccc2OC(F)(F)Oc12)C(N)=O" "InChI=1/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Fludioxonil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fludioxonil" "39311" "2007" "doi:10.2903/j.efsa.2007.110r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3076" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "C3052" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Human (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Human (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "other" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "no data" "Positive" "no information" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is part of a group assessment" "2-Phenylphenol sodium salt" "205-055-6" "132-27-4" "2-Phenylphenol sodium salt" "Not in list" "C12H9NaO" "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM571" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP100" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "leukemia cells (HL-60)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is part of a group assessment" "2-Phenylphenol sodium salt" "205-055-6" "132-27-4" "2-Phenylphenol sodium salt" "Not in list" "C12H9NaO" "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "6" "No data" "oral: feed" "13" "week" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "Thymus cell" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "No data" "oral: feed" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "8" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "8" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "No data" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male/Female" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male/Female" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "2" "Male/Female" "other" "10" "min" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is part of a group assessment" "2-Phenylphenol sodium salt" "205-055-6" "132-27-4" "2-Phenylphenol sodium salt" "Not in list" "C12H9NaO" "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is part of a group assessment" "2-Phenylphenol sodium salt" "205-055-6" "132-27-4" "2-Phenylphenol sodium salt" "Not in list" "C12H9NaO" "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is part of a group assessment" "2-Phenylphenol sodium salt" "205-055-6" "132-27-4" "2-Phenylphenol sodium salt" "Not in list" "C12H9NaO" "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "4" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "C3H" "15" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is identical to the substance" "2-Phenylphenol" "201-993-5" "90-43-7" "2-Phenylphenol" "2-phenylphenol" "C12H10O" "C1=CC=C(C=C1)C2=CC=CC=C2O" "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Sodium aluminium sulphate" "233-277-3" "10102-71-3" "aluminum;sodium;disulfate" "Aluminium ammonium sulphate" "AlNaO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3]" "InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Sodium aluminium sulphate" "233-277-3" "10102-71-3" "aluminum;sodium;disulfate" "Aluminium ammonium sulphate" "AlNaO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3]" "InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Sodium aluminium sulphate" "233-277-3" "10102-71-3" "aluminum;sodium;disulfate" "Aluminium ammonium sulphate" "AlNaO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3]" "InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Sodium aluminium sulphate" "233-277-3" "10102-71-3" "aluminum;sodium;disulfate" "Aluminium ammonium sulphate" "AlNaO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3]" "InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "" "10" "Male/Female" "Not reported" "" "" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "10" "Male/Female" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "10" "Male/Female" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "2" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "6" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium potassium sulphate" "233-141-3" "10043-67-1" "aluminum;potassium;disulfate" "Aluminium potassium sulphate" "AlKO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]" "InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is identical to the substance" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium potassium sulphate" "233-141-3" "10043-67-1" "aluminum;potassium;disulfate" "Aluminium potassium sulphate" "AlKO8S2" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]" "InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminum" "231-072-3" "7429-90-5" "Aluminum" "Aluminum (Al)" "Al" "[Al]" "InChI=1S/Al" "metal" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "astrocytes cell" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminum" "231-072-3" "7429-90-5" "Aluminum" "Aluminum (Al)" "Al" "[Al]" "InChI=1S/Al" "metal" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium sulphate" "233-135-0" "10043-01-3" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminum" "231-072-3" "7429-90-5" "Aluminum" "Aluminum (Al)" "Al" "[Al]" "InChI=1S/Al" "metal" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "astrocytes cell" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Aluminium sulphate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium sulfate" "40487" "2010" "doi:10.2903/j.efsa.2010.1889"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Gibberellins" "201-001-0" "77-06-5" "complex product: derived from botanical sources" "Component is identical to the substance" "Gibberellins" "201-001-0" "77-06-5" "2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid" "Not in list" "C19H22O6" "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10?,11-,12+,13+,16?,17-,18-,19+/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Gibberellins - GA4/GA7" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance gibberellins (GA4, GA7)1 (approved as giberelline)" "40918" "2012" "doi:10.2903/j.efsa.2012.2502"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper oxychloride" "" "" "copper;chloro hypochlorite" "Not in list" "Cl2CuO+2" "O(Cl)Cl.[Cu+2]" "InChI=1S/Cl2O.Cu/c1-3-2;/q;+2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Bordeaux mixture" "" "1333-22-8" "tetracopper;hexahydroxide;sulfate" "Not in list" "Cu4H6O10S" "[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper (I) oxide" "215-270-7" "1317-39-1" "Copper;hydrate" "Not in list" "Cu2H2O" "O.[Cu].[Cu]" "InChI=1S/2Cu.H2O/h;;1H2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper (I) oxide" "215-270-7" "1317-39-1" "Copper;hydrate" "Not in list" "Cu2H2O" "O.[Cu].[Cu]" "InChI=1S/2Cu.H2O/h;;1H2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper (I) oxide" "215-270-7" "1317-39-1" "Copper;hydrate" "Not in list" "Cu2H2O" "O.[Cu].[Cu]" "InChI=1S/2Cu.H2O/h;;1H2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper (I) oxide" "215-270-7" "1317-39-1" "Copper;hydrate" "Not in list" "Cu2H2O" "O.[Cu].[Cu]" "InChI=1S/2Cu.H2O/h;;1H2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Oxine copper" "233-841-9" "10380-28-6" "copper;quinolin-8-olate" "Not in list" "C18H12CuN2O2" "C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]" "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper chloride" "231-210-2" "7447-39-4" "dichlorocopper" "Not in list" "Cl2Cu" "Cl[Cu]Cl" "InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper nitrate" "221-838-5" "3251-23-8" "copper;dinitrate" "Not in list" "CuN2O6" "[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]" "InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper nitrate" "221-838-5" "3251-23-8" "copper;dinitrate" "Not in list" "CuN2O6" "[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]" "InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "6" "h" "no data" "not applicable" "Positive" "" "no evidence" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "subcutaneous" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "intraperitoneal" "6" "h" "yes" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "intraperitoneal" "12" "h" "yes" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Copper II sulphate pentahydrate" "616-477-9" "7758-99-8" "copper;sulfate;pentahydrate" "Not in list" "CuSO4.5H2O" "O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2]" "InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CBA" "6" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Copper" "231-159-6" "7440-50-8" "single chemical entity" "Component is part of a group assessment" "Tribasic copper sulfate" "215-582-3" "1333-22-8" "Tricopper;dihydroxide;disulfate" "Tribasic copper sulfate" "Cu3H2O10S2" "[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2]" "InChI=1S/3Cu.2H2O4S.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H2,1,2,3,4);2*1H2/q3*+2;;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CBA" "6" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Copper" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Copper (I), copper (II) variants namely copper hydroxide, copper oxychloride, tribasic copper sulfate, copper (I) oxide, Bordeaux mixture." "39743" "2008" "doi:10.2903/j.efsa.2008.187r"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "24" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "24" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is identical to the substance" "Flufenoxuron" "417-680-3" "101463-69-8" "N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide" "Flufenoxuron" "C21H11ClF6N2O3" "O=C(NC(NC2=C(F)C=C(OC3=C(Cl)C=C(C(F)(F)F)C=C3)C=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "N-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl urea" "" "" "1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}urea" "Not in list" "C14H9ClF4N2O2" "Clc2cc(ccc2Oc1ccc(NC(N)=O)c(F)c1)C(F)(F)F" "InChI=1/C14H9ClF4N2O2/c15-9-5-7(14(17,18)19)1-4-12(9)23-8-2-3-11(10(16)6-8)21-13(20)22/h1-6H,(H3,20,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Flufenoxuron" "417-680-3" "101463-69-8" "single chemical entity" "Component is a metabolite of the substance" "4-[2-Chloro-4-(trifluoromethyl)phenoxy-2-fluorobenzenamine" "" "" "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline" "Not in list" "C13H8ClF4NO" "Clc2cc(ccc2Oc1ccc(N)c(F)c1)C(F)(F)F" "InChI=1/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flufenoxuron" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flufenoxuron" "40616" "2011" "doi:10.2903/j.efsa.2011.2088"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is identical to the substance" "Fluometuron" "218-500-4" "2164-17-2" "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron" "C10H11F3N2O" "CN(C)C(=O)Nc1cccc(c1)C(F)(F)F" "InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Positive" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Fluometuron" "218-500-4" "2164-17-2" "single chemical entity" "Component is a metabolite of the substance" "Desmethyl-fluometuron" "" "3032-40-4" "1-methyl-3-[3-(trifluoromethyl)phenyl]urea" "Fluometuron metabolite (CGA 41686)" "C9H9F3N2O" "CNC(=O)NC1=CC=CC(=C1)C(F)(F)F" "InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Fluometuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluometuron" "40556" "2011" "doi:10.2903/j.efsa.2011.1958"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain JD1 S. cerevisiae" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "6" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is part of a group assessment" "Alpha-Cypermethrin" "614-054-3" "67375-30-8" "[(R)-cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "12" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "6" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "6" "Male/Female" "oral: unspecified" "8" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "" "Male/Female" "oral: gavage" "16" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "5" "No data" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "6" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "5" "No data" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "dermal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "dermal" "14" "D" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Cypermethrin" "257-842-9" "52315-07-8" "[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" "Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "According to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Cypermethrin" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is part of a group assessment" "Desmethyl dichlorvos" "" "" "methyl hydrogen phosphate" "Not in list" "CH4O4P" "[O-]P(=O)(O)OC" "InChI=1/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "no information" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Rat (as animal)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "24" "Male/Female" "inhalation: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "inhalation: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "inhalation: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "24" "Male/Female" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "24" "Male/Female" "inhalation: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "20" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "72" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "1" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "dermal" "12" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "3" "Male" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "3" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CF-1" "2" "No data" "oral: unspecified" "5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "NMRI" "9" "No data" "subcutaneous" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "4" "Male" "intraperitoneal" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "2" "Male" "intraperitoneal" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "4" "Male" "intraperitoneal" "14" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male" "dermal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male" "dermal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "20" "Male" "inhalation: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Not applicable" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraveneous" "96" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Not applicable" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraveneous" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Not applicable" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraveneous" "72" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Not applicable" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraveneous" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "Yes" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "" "Male" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Female" "oral: unspecified" "" "" "yes" "not applicable" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "genome mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "200" "Male/Female" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CF-1" "4" "No data" "inhalation: unspecified" "5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Female" "inhalation: unspecified" "8" "week" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Female" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "" "Male" "inhalation: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "24" "Male/Female" "inhalation: unspecified" "2" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "4" "Female" "oral: unspecified" "8" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "8" "Male" "oral: unspecified" "24" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "8" "Male" "inhalation: unspecified" "2" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "12" "Male" "inhalation: unspecified" "2" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "8" "Male" "inhalation: unspecified" "2" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "8" "Male" "oral: unspecified" "24" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "12" "Male" "inhalation: unspecified" "2" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "8" "Male" "inhalation: unspecified" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "12" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "9" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "36" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "40" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "92" "Male" "intraperitoneal" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "40" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "8" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "8" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "20" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "3" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "intraperitoneal" "17" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "8" "Male" "intraperitoneal" "17" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male" "oral: unspecified" "20" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Syrian" "6" "Female" "intraperitoneal" "24" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Dichlorvos" "200-547-7" "62-73-7" "single chemical entity" "Component is identical to the substance" "Dichlorvos" "200-547-7" "62-73-7" "2,2-dichlorovinyl dimethyl phosphate" "Dichlorvos" "C4H7Cl2O4P" "COP(=O)(OC)OC=C(Cl)Cl" "InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "" "20" "Male" "intraperitoneal" "" "" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Italy" "Dichlorvos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance dichlorvos" "38887" "2006" "doi:10.2903/j.efsa.2006.77r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is identical to the substance" "Difenoconazole" "601-613-1" "119446-68-3" "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" "Difenoconazole" "C19H17Cl2N3O3" "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-benzoic acid" "" "" "2-chloro-4-(4-chlorophenoxy)benzoic acid" "Difenoconazole-benzoic acid" "C13H8Cl2O3" "OC(=O)c1ccc(cc1Cl)Oc2ccc(Cl)cc2" "InChI=1S/C13H8Cl2O3/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-ketone" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanone" "Not in list" "C16H11Cl2N3O2" "O=C(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H11Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Difenoconazole-alcohol" "" "" "1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(1H-1,2,4-triazol-1-yl)ethanol" "Not in list" "C16H13Cl2N3O2" "OC(Cn1cncn1)c3ccc(Oc2ccc(Cl)cc2)cc3Cl" "InChI=1S/C16H13Cl2N3O2/c17-11-1-3-12(4-2-11)23-13-5-6-14(15(18)7-13)16(22)8-21-10-19-9-20-21/h1-7,9-10,16,22H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "6" "No data" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "no evidence" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "O-desmethyldimethoate" "" "" "S-methyl S-[2-(methylamino)-2-oxoethyl] hydrogen phosphorodithioate" "Not in list" "C4H10NO3PS2" "O=P(O)(SC)SCC(=O)NC" "InChI=1/C4H10NO3PS2/c1-5-4(6)3-11-9(7,8)10-2/h3H2,1-2H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CFLP" "10" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CFLP" "10" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CFLP" "10" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "O-desmethyldimethoate" "" "" "S-methyl S-[2-(methylamino)-2-oxoethyl] hydrogen phosphorodithioate" "Not in list" "C4H10NO3PS2" "O=P(O)(SC)SCC(=O)NC" "InChI=1/C4H10NO3PS2/c1-5-4(6)3-11-9(7,8)10-2/h3H2,1-2H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CFLP" "10" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: gavage" "" "" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "48" "h" "no" "not applicable" "Inconclusive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "72" "h" "no" "not applicable" "Inconclusive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "24" "h" "no" "not applicable" "Inconclusive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Syrian" "4" "Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "4" "h" "no" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: gavage" "12" "h" "no" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is identical to the substance" "Dimethoate" "200-480-3" "60-51-5" "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" "Dimethoate" "C5H12NO3PS2" "CNC(=O)CSP(=S)(OC)OC" "InChI=1/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "25" "Male" "oral: drinking water" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Female" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Dimethoate" "200-480-3" "60-51-5" "single chemical entity" "Component is a metabolite of the substance" "Omethoate" "214-197-8" "1113-02-6" "2-Dimethoxyphosphorylsulfanyl-N-methylacetamide" "Omethoate" "C5H12NO4PS" "CNC(=O)CSP(=O)(OC)OC" "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Dimethoate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance dimethoate" "41465" "2013" "doi:10.2903/j.efsa.2013.3233"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is identical to the substance" "Teflubenzuron" "" "83121-18-0" "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" "Teflubenzuron" "C14H6Cl2F4N2O2" "O=C(NC(NC2=C(F)C(Cl)=C(F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluoroaniline" "617-438-9" "83121-15-7" "3,5-dichloro-2,4-difluoroaniline" "Not in list" "C6H3Cl2F2N" "C1=C(C(=C(C(=C1Cl)F)Cl)F)N" "InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Teflubenzuron" "" "83121-18-0" "single chemical entity" "Component is a metabolite of the substance" "3,5-dichloro-2,4-difluorophenylurea" "" "" "1-(3,5-dichloro-2,4-difluorophenyl)urea" "Not in list" "C7H4Cl2F2N2O" "Clc1cc(NC(N)=O)c(F)c(Cl)c1F" "InChI=1/C7H4Cl2F2N2O/c8-2-1-3(13-7(12)14)6(11)4(9)5(2)10/h1H,(H3,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Teflubenzuron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance teflubenzuron" "39828" "2009" "doi:10.2903/j.efsa.2009.184r"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "No guideline available" "Not reported" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is identical to the substance" "Glufosinate-ammonium" "278-636-5" "77182-82-2" "ammonium (2RS)-2-amino-4-(methylphosphinato)butyric acid" "Glufosinate-ammonium" "C5H12NO4P.H3N" "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "N-acetyl-glufosinate" "" "73634-73-8" "2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid" "Not in list" "C7H14NO5P" "CC(=O)NC(CCP(=O)(C)O)C(=O)O" "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "3-metylphosphinico-propionic acid" "" "" "3-[hydroxy(methyl)phosphoryl]propanoic acid" "Not in list" "C4H9O4P" "O=C(O)CCP(C)(=O)O" "InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Glufosinate-ammonium" "278-636-5" "77182-82-2" "single chemical entity" "Component is a metabolite of the substance" "2-methylphosphinico-acetic acid" "" "" "[hydroxy(methyl)phosphoryl]acetic acid" "Not in list" "C3H7O4P" "O=C(O)CP(C)(=O)O" "InChI=1/C3H7O4P/c1-8(6,7)2-3(4)5/h2H2,1H3,(H,4,5)(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden" "Glufosinate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance glufosinate" "40998" "2012" "doi:10.2903/j.efsa.2012.2609"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is identical to the substance" "Halosulfuron-methyl" "600-130-3" "100784-20-1" "methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate" "Halosulfuron methyl" "C13H15ClN6O7S" "CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "" "" "3-chloro-1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H6ClN3O4S" "OC(=O)c1c(n(C)nc1Cl)S(N)(=O)=O" "InChI=1/C5H6ClN3O4S/c1-9-4(14(7,12)13)2(5(10)11)3(6)8-9/h1H3,(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Halosulfuron-methyl" "600-130-3" "100784-20-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-chloro-5-[(4,6-dimethoxy-2-pyrimidinyl)amino]-1-methyl-1H-pyrazole-4-carboxylate" "" "" "3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid" "Not in list" "C12H13lN4O4" "OC(=O)c2c(Cc1nc(OC)cc(OC)n1)n(C)nc2Cl" "InChI=1/C12H13ClN4O4/c1-17-6(10(12(18)19)11(13)16-17)4-7-14-8(20-2)5-9(15-7)21-3/h5H,4H2,1-3H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Halosulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance halosulfuron (evaluated variant halosulfuron-methyl)" "41249" "2012" "doi:10.2903/j.efsa.2012.2987"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is identical to the substance" "Tetraconazole" "407-760-6" "112281-77-3" "1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
+4-triazole" "Tetraconazole" "C13H11Cl2F4N3O" "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "" "" "2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Not in list" "C11H9Cl2N3O2" "OC(=O)C(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1S/C11H9Cl2N3O2/c12-7-1-2-8(10(13)3-7)9(11(17)18)4-16-6-14-5-15-16/h1-3,5-6,9H,4H2,(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "" "" "[2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propoxy](difluoro)acetic acid" "Not in list" "C13H11Cl2F2N3O3" "O=C(O)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl" "InChI=1/C13H11Cl2F2N3O3/c14-9-1-2-10(11(15)3-9)8(4-20-7-18-6-19-20)5-23-13(16,17)12(21)22/h1-3,6-8H,4-5H2,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is identical to the substance" "Fluopicolide" "" "239110-15-7" "2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide" "Fluopicolide" "C14H8Cl3F3N2O" "C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl" "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-Dichlorobenzamide" "217-918-4" "2008-58-4" "2,6-dichlorobenzamide" "Not in list" "C7H5Cl2NO" "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(O)=O)C(F)(F)F" "InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dichloro-3-hydroxybenzamide" "" "22818-74-2" "2,6-dichloro-3-hydroxybenzamide" "Not in list" "C7H5Cl2NO2" "C1=CC(=C(C(=C1O)Cl)C(=O)N)Cl" "InChI=1S/C7H5Cl2NO2/c8-3-1-2-4(11)6(9)5(3)7(10)12/h1-2,11H,(H2,10,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid" "Not in list" "C8H6F3NO3S" "OC(=O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-Sulfo-5-trifluoromethyl pyridine-2-carboxylic acid" "" "" "2-sulfo-4-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O5S" "OS(=O)(=O)c1cc(ccc1C(=O)O)C(F)(F)F" "InChI=1S/C8H5F3O5S/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17(14,15)16/h1-3H,(H,12,13)(H,14,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "intraperitoneal" "24" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "Not reported" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Fluopicolide" "" "239110-15-7" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "" "" "3-(methylsulfonyl)-5-(trifluoromethyl)pyridin-2-ol" "Not in list" "C7H6F3NO3S" "O=S(C)(=O)c1cc(cnc1O)C(F)(F)F" "InChI=1/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "Not reported" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fluopicolide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fluopicolide" "40003" "2009" "doi:10.2903/j.efsa.2009.299r"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is identical to the substance" "Tembotrione" "608-879-8" "335104-84-2" "2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione" "Tembotrione" "C17H16ClF3O6S" "CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F" "InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "" "" "2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid" "Not in list" "C11H10ClF3O5S" "OC(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O" "InChI=1/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-{2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy) methyl]benzoyl}-4,6-dihydroxycyclohexane-1,3-dione" "" "" "2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)-4,6-dihydroxycyclohexane-1,3-dione" "Tembotrione metabolite M5 (Dihydroxy-tembotrione)" "C17H16ClF3O8S" "O=C1C(C(=O)C(O)CC1O)C(=O)c2ccc(c(COCC(F)(F)F)c2Cl)S(C)(=O)=O" "InChI=1/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "" "" "2-chloro-3-(hydroxymethyl)-4-(methylsulfonyl)benzoic acid" "Not in list" "C9H9ClO5S" "OC(=O)c1ccc(c(CO)c1Cl)S(C)(=O)=O" "InChI=1/C9H9ClO5S/c1-16(14,15)7-3-2-5(9(12)13)8(10)6(7)4-11/h2-3,11H,4H2,1H3,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Tembotrione" "608-879-8" "335104-84-2" "single chemical entity" "Component is a metabolite of the substance" "6-(Methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "" "" "6-(methylsulfonyl)-5-[(2,2,2-trifluoroethoxy)methyl]-3,4-dihydro-1H-xanthene-1,9(2H)-dione" "Not in list" "C17H15F3O6S" "CS(=O)(=O)c2ccc1C(=O)C=3C(=O)CCCC=3Oc1c2COCC(F)(F)F" "InChI=1/C17H15F3O6S/c1-27(23,24)13-6-5-9-15(22)14-11(21)3-2-4-12(14)26-16(9)10(13)7-25-8-17(18,19)20/h5-6H,2-4,7-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Austria" "Tembotrione" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione" "41348" "2013" "doi:10.2903/j.efsa.2013.3131"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is identical to the substance" "Fluxapyroxad" "" "907204-31-3" "3-(Difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide" "Fluxapyroxad" "C18H12F5N3O" "CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F" "InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Fluxapyroxad" "" "907204-31-3" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-(b-Dglucopyranosyloxy)-N-(3',4',5'-trifluorobiphenyl-2-yl)-1H-pyrazole-4-carboxamide" "Not in list" "C23H20F5N3O7" "Fc1cc(cc(F)c1F)c4ccccc4NC(=O)c2cn(nc2C(F)F)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O" "InChI=1S/C23H20F5N3O7/c24-12-5-9(6-13(25)16(12)26)10-3-1-2-4-14(10)29-22(36)11-7-31(30-17(11)21(27)28)38-23-20(35)19(34)18(33)15(8-32)37-23/h1-7,15,18-21,23,32-35H,8H2,(H,29,36)/t15-,18-,19+,20-,23+/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "BAS 700 F (Fluxapyroxad)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluxapyroxad (BAS 700 F)" "40935" "2012" "doi:10.2903/j.efsa.2012.2522"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2-carboxylic acid" "" "59337-97-2" "3-sulfamoylthiophene-2-carboxylic acid" "Not in list" "C5H5NO4S2" "C1=CSC(=C1S(=O)(=O)N)C(=O)O" "InChI=1S/C5H5NO4S2/c6-12(9,10)3-1-2-11-4(3)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "616-675-5" "79277-67-1" "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid" "Not in list" "C11H11N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)urea" "" "" "1-(4-acetyl-6-methyl-1,3,5-triazin-2-yl)urea" "Not in list" "C7H9N5O2" "O=C(N)Nc1nc(C)nc(n1)C(C)=O" "InChI=1/C7H9N5O2/c1-3(13)5-9-4(2)10-7(11-5)12-6(8)14/h1-2H3,(H3,8,9,10,11,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "28" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "thieno[2,3-d][1,2]thiazol-3(2H)-one 1,1-dioxide" "" "" "thieno[2,3-d]isothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C5H3NO3S2" "O=S2(=O)NC(=O)c1sccc12" "InChI=1/C5H3NO3S2/c7-5-4-3(1-2-10-4)11(8,9)6-5/h1-2H,(H,6,7)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "28" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "" "" "3-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" "Not in list" "C10H9N5O6S2" "OC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(O)n2" "InChI=1/C10H9N5O6S2/c1-4-11-8(13-9(18)12-4)14-10(19)15-23(20,21)5-2-3-22-6(5)7(16)17/h2-3H,1H3,(H,16,17)(H3,11,12,13,14,15,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "5" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "5" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is identical to the substance" "Thiamethoxam" "428-650-4" "153719-23-4" "(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,
+5-oxadiazinan-4-ylidene]nitramide" "Thiamethoxam" "C8H10ClN5O3S" "CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl" "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "5" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "Clothianidin" "433-460-1" "210880-92-5" "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine" "Clothianidin" "C6H8ClN5O2S" "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(2-chlorothiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylideneamin" "" "" "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-imine" "Not in list" "C8H11ClN4OS" "Clc2ncc(CN1COCN(C)C1=N)s2" "InChI=1/C8H11ClN4OS/c1-12-4-14-5-13(8(12)10)3-6-2-11-7(9)15-6/h2,10H,3-5H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam" "2001" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "2" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Thiamethoxam" "428-650-4" "153719-23-4" "single chemical entity" "Component is a metabolite of the substance" "NOA 459602" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiamethoxam (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance thiamethoxam" "41290" "2013" "doi:10.2903/j.efsa.2013.3067"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Not reported" "" "" "subcutaneous" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "" "subcutaneous" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2-aminobenzimidazole" "213-280-6" "934-32-7" "1H-benzimidazol-2-amine" "Not in list" "C7H7N3" "C1=CC=C2C(=C1)NC(=N2)N" "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is a metabolite of the substance" "2,3-phenazine-diamine" "211-512-0" "655-86-7" "phenazine-2,3-diamine" "Not in list" "C12H10N4" "C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N" "InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "single chemical entity" "Component is identical to the substance" "1,4-Dimethylnaphthalene" "209-335-9" "571-58-4" "1,4-dimethylnaphthalene" "Not in list" "C12H12" "Cc1ccc(C)c2ccccc12" "InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "1,4-Dimethylnaphthalene (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 1,4-dimethylnaphthalene." "41565" "2013" "doi:10.2903/j.efsa.2013.3229"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Female" "oral: feed" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "" "" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "3" "Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Folpet" "205-087-0" "133-07-3" "single chemical entity" "Component is identical to the substance" "Folpet" "205-088-6" "133-07-3" "2-(Trichloromethylsulfanyl)isoindole-1,3-dione" "Folpet" "C9H4Cl3NO2S" "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Female" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Folpet (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance folpet" "40056" "2009" "doi:10.2903/j.efsa.2009.297r"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is identical to the substance" "Florasulam" "604-488-1" "145701-23-1" "N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Florasulam" "C12H8F3N5O3S" "COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F" "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Florasulam" "1999" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-difluorophenyl)-8-fluoro-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "" "" "N-(2,6-difluorophenyl)-8-fluoro-5-hydroxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide" "Not in list" "C11H6F3N5O3S" "Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(O)n2n1" "InChI=1/C11H6F3N5O3S/c12-5-2-1-3-6(13)8(5)18-23(21,22)10-16-9-7(14)4-15-11(20)19(9)17-10/h1-4,18H,(H,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoyl-1H-1,2,4-triazole-5-carboxylic acid" "" "313963-93-8" "5-sulfamoyl-1H-1,2,4-triazole-3-carboxylic acid" "Not in list" "C3H4N4O4S" "C1(=NNC(=N1)S(=O)(=O)N)C(=O)O" "InChI=1S/C3H4N4O4S/c4-12(10,11)3-5-1(2(8)9)6-7-3/h(H,8,9)(H2,4,10,11)(H,5,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"Florasulam" "604-488-1" "145701-23-1" "single chemical entity" "Component is a metabolite of the substance" "1H-1,2,4-triazole-3-sulfonamide" "" "89517-96-4" "1H-1,2,4-triazole-5-sulfonamide" "Not in list" "C2H4N4O2S" "C1=NNC(=N1)S(=O)(=O)N" "InChI=1S/C2H4N4O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H2,3,7,8)(H,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Poland" "Florasulam (RAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance florasulam" "42017" "2015" "doi:10.2903/j.efsa.2015.3984"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylbenzoquinone" "" "363-03-1" "2-phenylcyclohexa-2,5-diene-1,4-dione" "Not in list" "C12H8O2" "C1=CC=C(C=C1)C2=CC(=O)C=CC2=O" "InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"2-Phenylphenol" "201-993-5" "90-43-7" "single chemical entity" "Component is a metabolite of the substance" "Phenylhydroquinone" "" "1079-21-6" "2-phenylbenzene-1,4-diol" "Not in list" "C12H10O2" "C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O" "InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Spain" "Ortho-phenylphenol" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2-phenylphenol" "39878" "2009" "doi:10.2903/j.efsa.2009.217r"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium oxide" "618-619-5" "1344-28-1" "dialuminum;oxygen(2-)" "Not in list" "Al2O3" "[O-2].[O-2].[O-2].[Al+3].[Al+3]" "InChI=1S/2Al.3O/q2*+3;3*-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium sulphate" "233-135-0" "10043-01-3" "Dialuminum trisulfate" "Aluminium sulphate" "Al2O12S3" "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]" "InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Aluminium ammonium sulphate dodecahydrate" "232-055-3" "7784-26-1" "single chemical entity" "Component is part of a group but not included in the group assessment" "Aluminium chloride" "231-208-1" "7446-70-0" "trichloroalumane" "Not in list" "AlCl3" "[Al](Cl)(Cl)Cl" "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Portugal" "Aluminium ammonium sulphate (Final Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance aluminium ammonium sulfate (approved as aluminium ammonium sulphate)" "40983" "2012" "doi:10.2903/j.efsa.2012.2491"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "no evidence" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "no evidence" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "no evidence" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is identical to the substance" "Benfuracarb" "" "82560-54-1" "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate" "Benfuracarb" "C20H30N2O5S" "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Benfuracarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-3,7-diol" "" "17781-15-6" "2,2-dimethyl-3H-1-benzofuran-3,7-diol" "Not in list" "C10H12O3" "CC1(C(C2=C(O1)C(=CC=C2)O)O)C" "InChI=1S/C10H12O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,9,11-12H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-3,7-diol" "" "17781-15-6" "2,2-dimethyl-3H-1-benzofuran-3,7-diol" "Not in list" "C10H12O3" "CC1(C(C2=C(O1)C(=CC=C2)O)O)C" "InChI=1S/C10H12O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,9,11-12H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-3,7-diol" "" "17781-15-6" "2,2-dimethyl-3H-1-benzofuran-3,7-diol" "Not in list" "C10H12O3" "CC1(C(C2=C(O1)C(=CC=C2)O)O)C" "InChI=1S/C10H12O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,9,11-12H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-3,7-diol" "" "17781-15-6" "2,2-dimethyl-3H-1-benzofuran-3,7-diol" "Not in list" "C10H12O3" "CC1(C(C2=C(O1)C(=CC=C2)O)O)C" "InChI=1S/C10H12O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,9,11-12H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benfuracarb" "" "82560-54-1" "single chemical entity" "Component is a metabolite of the substance" "2,2-dimethyl-2,3-dihydro-1-benzofuran-3,7-diol" "" "17781-15-6" "2,2-dimethyl-3H-1-benzofuran-3,7-diol" "Not in list" "C10H12O3" "CC1(C(C2=C(O1)C(=CC=C2)O)O)C" "InChI=1S/C10H12O3/c1-10(2)9(12)6-4-3-5-7(11)8(6)13-10/h3-5,9,11-12H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Benfuracarb (Original version July 2004, revised in August 2008)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance benfuracarb" "39911" "2009" "doi:10.2903/j.efsa.2009.239r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Benthiavalicarb-isopropyl" "" "177406-68-7" "single chemical entity" "Component is identical to the substance" "Benthiavalicarb-isopropyl" "" "177406-68-7" "Propan-2-yl N-[(2R)-1-[[(1R)-1-(6-fluoro-1,
+3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate" "Benthiavalicarb isopropyl" "C18H24FN3O3S" "C[C@H](C1=NC2=C(S1)C=C(C=C2)F)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Benthiavalicarb-isopropyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance benthiavalicarb" "39295" "2007" "doi:10.2903/j.efsa.2007.107r"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Bromuconazole" "" "116255-48-2" "single chemical entity" "Component is a metabolite of the substance" "1-{[(2RS)-2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "" "" "1-{[2-(2,4-dichlorophenyl)-2,5-dihydrofuran-2-yl]methyl}-1H-1,2,4-triazole" "Not in list" "C13H11Cl2N3O" "Clc1cc(Cl)c(cc1)C2(C=CCO2)Cn3cncn3" "InChI=1/C13H11Cl2N3O/c14-10-2-3-11(12(15)6-10)13(4-1-5-19-13)7-18-9-16-8-17-18/h1-4,6,8-9H,5,7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Bromuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bromuconazole" "40417" "2010" "doi:10.2903/j.efsa.2010.1704"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Carbosulfan" "259-565-9" "55285-14-8" "single chemical entity" "Component is identical to the substance" "Carbosulfan" "259-565-9" "55285-14-8" "2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate" "Carbosulfan" "C20H32N2O3S" "CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12" "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Carbosulfan (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbosulfan" "40122" "2009" "doi:10.2903/j.efsa.2009.1354"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Diquat" "220-433-0" "85-00-7" "single chemical entity" "Component is identical to the substance" "Diquat" "220-433-0" "85-00-7" "6,7-dihydrodipyrido[1,2-b:1',2'-e]pyrazine-5,8-diium" "Diquat" "C12H12N2+2" "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Diquat" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance diquat" "42335" "2015" "doi:10.2903/j.efsa.2015.4308"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Clofentezine" "277-728-2" "74115-24-5" "single chemical entity" "Component is identical to the substance" "Clofentezine" "277-728-2" "74115-24-5" "3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine" "Clofentezine" "C14H8Cl2N4" "Clc3ccccc3c1nnc(nn1)c2ccccc2Cl" "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Clofentezine (Addendum1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance clofentezine" "40014" "2009" "doi:10.2903/j.efsa.2009.269r"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Cyproconazole" "" "94361-06-5" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chloro-phenyl)-3,5-dihydroxy-4-methyl-6-[1,2,4]triazol-1-yl-hexanoic acid" "" "" "5-(4-chlorophenyl)-3,5-dihydroxy-4-methyl-6-(1H-1,2,4-triazol-1-yl)hexanoic acid" "Not in list" "C15H18ClN3O4" "OC(Cn1cncn1)(C(C)C(O)CC(=O)O)c2ccc(Cl)cc2" "InChI=1/C15H18ClN3O4/c1-10(13(20)6-14(21)22)15(23,7-19-9-17-8-18-19)11-2-4-12(16)5-3-11/h2-5,8-10,13,20,23H,6-7H2,1H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Cyproconazole" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyproconazole" "40507" "2010" "doi:10.2903/j.efsa.2010.1897"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1536" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male/Female" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Dicamba" "217-635-6" "1918-00-9" "single chemical entity" "Component is identical to the substance" "Dicamba" "217-635-6" "1918-00-9" "3,6-dichloro-2-methoxybenzoic acid" "Dicamba" "C8H6Cl2O3" "COc1c(Cl)ccc(Cl)c1C(=O)O" "InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Denmark" "Dicamba (Revised draft assessment report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dicamba" "40557" "2011" "doi:10.2903/j.efsa.2011.1965"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: the United Kingdom" "Diflufenican (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Diflufenican" "" "83164-33-4" "single chemical entity" "Component is identical to the substance" "Diflufenican" "" "83164-33-4" "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" "Diflufenican" "C19H11F5N2O2" "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: the United Kingdom" "Diflufenican (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance diflufenican" "39492" "2008" "doi:10.2903/j.efsa.2008.122r"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Dodine" "219-459-5" "2439-10-3" "single chemical entity" "Component is identical to the substance" "Dodine" "219-459-5" "2439-10-3" "1-dodecylguanidine acetate" "Dodine" "C13H29N3.C2H4O2" "CCCCCCCCCCCCNC(=N)N.CC(=O)O" "InChI=1/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Portugal" "Dodine (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dodine" "40350" "2010" "doi:10.2903/j.efsa.2010.1631"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is identical to the substance" "Thifensulfuron-methyl" "616-673-4" "79277-27-3" "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate" "Thifensulfuron-methyl" "C12H13N5O6S2" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "in vitro gene mutation assay in fungi" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Aspergillus nidulans (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Other" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "" "Female" "oral: unspecified" "" "" "yes" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "Not reported" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is identical to the substance" "Carbendazim" "234-232-0" "10605-21-7" "methyl 1H-benzimidazol-2-ylcarbamate" "Carbendazim" "C9H9N3O2" "N(C(=O)OC)C1=Nc2ccccc2N1" "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "28" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Carbendazim, Benomyl, Thiophanate-methyl (Addendum)" "2002" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "Not reported" "" "" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is part of a group assessment" "2,4-D dimethyl amine salt" "217-915-8" "2008-39-1" "2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine" "Not in list" "C10H13Cl2NO3" "CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is part of a group assessment" "2,4-D dimethyl amine salt" "217-915-8" "2008-39-1" "2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine" "Not in list" "C10H13Cl2NO3" "CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is part of a group assessment" "2,4-D dimethyl amine salt" "217-915-8" "2008-39-1" "2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine" "Not in list" "C10H13Cl2NO3" "CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is part of a group assessment" "2,4-D dimethyl amine salt" "217-915-8" "2008-39-1" "2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine" "Not in list" "C10H13Cl2NO3" "CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "oral: gavage" "48" "h" "no data" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "oral: gavage" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "oral: gavage" "48" "h" "no data" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "oral: gavage" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-D" "202-361-1" "94-75-7" "single chemical entity" "Component is identical to the substance" "2,4-D" "202-361-1" "94-75-7" "(2,4-dichlorophenoxy)acetic acid" "2,4-D" "C8H6Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Greece - CoRMS: Poland" "2,4-D (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance 2,4-D" "41893" "2014" "doi:10.2903/j.efsa.2014.3812"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is a metabolite of the substance" "2,4-dichlorophenol" "204-429-6" "120-83-2" "2,4-dichlorophenol" "Not in list" "C6H4Cl2O" "C1=CC(=C(C=C1Cl)Cl)O" "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"2,4-DB" "202-366-9" "94-82-6" "single chemical entity" "Component is identical to the substance" "2,4-DB" "202-366-9" "94-82-6" "4-(2,4-dichlorophenoxy)butanoic acid" "2,4-DB (sum of 2,4-DB, its salts, its esters and its conjugates, expressed as 2,4-DB)" "C10H10Cl2O3" "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "2,4-DB" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance 2,4-DB" "42521" "2016" "doi:10.2903/j.efsa.2016.4500"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Azoxystrobin" "" "131860-33-8" "single chemical entity" "Component is a metabolite of the substance" "2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]benzoic acid" "" "" "2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}benzoic acid" "Not in list" "C18H11N3O4" "O=C(O)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2" "InChI=1/C18H11N3O4/c19-10-12-5-1-3-7-14(12)24-16-9-17(21-11-20-16)25-15-8-4-2-6-13(15)18(22)23/h1-9,11H,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Czech Republic" "Azoxystrobin (Final Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance azoxystrobin" "40283" "2010" "doi:10.2903/j.efsa.2010.1542"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "Methyl N-(malonyl)-N-(2,6-xylyl)-D-alaninate" "" "" "3-{(2,6-dimethylphenyl)[(2R)-1-methoxy-1-oxopropan-2-yl]amino}-3-oxopropanoic acid" "Not in list" "C15H19NO5" "C[C@@H](N(C(=O)CC(=O)O)c1c(C)cccc1C)C(=O)OC" "InChI=1/C15H19NO5/c1-9-6-5-7-10(2)14(9)16(11(3)15(20)21-4)12(17)8-13(18)19/h5-7,11H,8H2,1-4H3,(H,18,19)/t11-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "68" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(2RS)-1-methoxy-1-oxo-2-propanyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoic acid" "Not in list" "" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)OC" "InChI=1/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "44" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "68" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Benalaxyl-M" "" "98243-83-5" "single chemical entity" "Component is a metabolite of the substance" "2-{(Carboxyacetyl)[(1RS)-1-carboxyethyl]amino}-3-methylbenzoic acid" "" "" "2-[(carboxyacetyl)(1-carboxyethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H15NO7" "CC(N(C(=O)CC(=O)O)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H15NO7/c1-7-4-3-5-9(14(21)22)12(7)15(8(2)13(19)20)10(16)6-11(17)18/h3-5,8H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "Not reported" "44" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Portugal" "Benalaxyl-M (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance benalaxyl-M." "41368" "2013" "doi:10.2903/j.efsa.2013.3148"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Bupirimate" "255-391-2" "41483-43-6" "single chemical entity" "Component is identical to the substance" "Bupirimate" "255-391-2" "41483-43-6" "5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl dimethylsulfamate" "Bupirimate" "C13H24N4O3S" "O=S(OC1=C(CCCC)C(C)=NC(NCC)=N1)(N(C)C)=O" "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Bupirimate (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bupirimate" "40456" "2010" "doi:10.2903/j.efsa.2010.1786"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "" "" "5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinane-2,4-dione" "Not in list" "C12H14N2O2S" "CC(C)N2C(=O)SCN(c1ccccc1)C2=O" "InChI=1/C12H14N2O2S/c1-9(2)14-11(15)13(8-17-12(14)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidic diamide" "Not in list" "C15H23N3O2" "O=C(Nc1ccccc1)N(C(=O)NC(C)(C)C)C(C)C" "InChI=1/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "1-phenyl-3-propan-2-ylurea" "" "19895-44-4" "1-phenyl-3-propan-2-ylurea" "Not in list" "C10H14N2O" "CC(C)NC(=O)NC1=CC=CC=C1" "InChI=1S/C10H14N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Buprofezin" "" "69327-76-0" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "" "" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "Not in list" "C15H23N3OS" "O=C(Nc1ccccc1)N(C(=S)NC(C)(C)C)C(C)C" "N-tert-butyl-N'-phenyl-N-propan-2-yldicarbonimidothioic diamide" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Buprofezin (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance buprofezin" "40332" "2010" "doi:10.2903/j.efsa.2010.1624"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2E)-3-{2-Chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}acrylic acid" "" "" "(2E)-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}prop-2-enoic acid" "Not in list" "C13H9ClF3N3O3" "O=C(O)/C=C/c1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F" "InChI=1/C13H9ClF3N3O3/c1-6-18-20(13(23)19(6)12(16)17)10-4-7(2-3-11(21)22)8(14)5-9(10)15/h2-5,12H,1H3,(H,21,22)/b3-2+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-Chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C12H8Cl2F3N3O3" "O=C(O)C(Cl)Cc1cc(c(F)cc1Cl)N2N=CN(C2=O)C(F)F" "InChI=1/C12H8Cl2F3N3O3/c13-6-3-8(15)9(2-5(6)1-7(14)10(21)22)20-12(23)19(4-18-20)11(16)17/h2-4,7,11H,1H2,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "4-(Difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "" "" "4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C4H5F2N3O" "O=C1NN=C(C)N1C(F)F" "InChI=1/C4H5F2N3O/c1-2-7-8-4(10)9(2)3(5)6/h3H,1H3,(H,8,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Carfentrazone-ethyl" "603-291-8" "128639-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-{2-Chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "" "" "3-{2-chloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoic acid" "Not in list" "C11H11ClF3N3O4" "O=C(O)CCc1cc(c(F)cc1Cl)N2N=C(CO)N(C2=O)C(F)F" "InChI=1/C13H11ClF3N3O4/c14-7-4-8(15)9(3-6(7)1-2-11(22)23)20-13(24)19(12(16)17)10(5-21)18-20/h3-4,12,21H,1-2,5H2,(H,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: France" "Carfentrazone-ethyl" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance carfentrazone-ethyl" "42612" "2016" "doi:10.2903/j.efsa.2016.4569"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfinyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfinyl)propyl]pentanedioic acid" "Not in list" "C10H18O5S" "CCS(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O5S/c1-3-16(15)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Clethodim" "" "99129-21-2" "single chemical entity" "Component is a metabolite of the substance" "3-[(2RS)-2-(ethylsulfonyl)propyl]pentanedioic acid" "" "" "3-[2-(ethylsulfonyl)propyl]pentanedioic acid" "Not in list" "C10H18O6S" "CCS(=O)(=O)C(C)CC(CC(=O)O)CC(=O)O" "InChI=1/C10H18O6S/c1-3-17(15,16)7(2)4-8(5-9(11)12)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Clethodim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance clethodim" "40837" "2011" "doi:10.2903/j.efsa.2011.2417"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cyantraniliprole" "" "736994-63-1" "single chemical entity" "Component is a metabolite of the substance" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "" "" "3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide" "Not in list" "C9H6BrClN4O" "NC(=O)c2cc(Br)nn2c1ncccc1Cl" "InChI=1/C9H6BrClN4O/c10-7-4-6(8(12)16)15(14-7)9-5(11)2-1-3-13-9/h1-4H,(H2,12,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: France" "Cyantraniliprole (Final Addendum)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cyantraniliprole" "41891" "2014" "doi:10.2903/j.efsa.2014.3814"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(3-thianyl)glutaric acid S-dioxide" "" "" "3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O6S" "O=S1(=O)CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O6S/c11-9(12)4-8(5-10(13)14)7-2-1-3-17(15,16)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-3-(3-thianyl)glutaric acid S-dioxide" "" "" "2-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)-2-hydroxybutanedioic acid" "Not in list" "C9H14O7S" "O=S1(=O)CCCC(C1)C(O)(CC(=O)O)C(=O)O" "InChI=1/C9H14O7S/c10-7(11)4-9(14,8(12)13)6-2-1-3-17(15,16)5-6/h6,14H,1-5H2,(H,10,11)(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-3-(3-thianyl)glutaric acid S-dioxide" "" "" "2-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)-2-hydroxybutanedioic acid" "Not in list" "C9H14O7S" "O=S1(=O)CCCC(C1)C(O)(CC(=O)O)C(=O)O" "InChI=1/C9H14O7S/c10-7(11)4-9(14,8(12)13)6-2-1-3-17(15,16)5-6/h6,14H,1-5H2,(H,10,11)(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-3-(3-thianyl)glutaric acid S-dioxide" "" "" "2-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)-2-hydroxybutanedioic acid" "Not in list" "C9H14O7S" "O=S1(=O)CCCC(C1)C(O)(CC(=O)O)C(=O)O" "InChI=1/C9H14O7S/c10-7(11)4-9(14,8(12)13)6-2-1-3-17(15,16)5-6/h6,14H,1-5H2,(H,10,11)(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-3-(3-thianyl)glutaric acid S-dioxide" "" "" "2-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)-2-hydroxybutanedioic acid" "Not in list" "C9H14O7S" "O=S1(=O)CCCC(C1)C(O)(CC(=O)O)C(=O)O" "InChI=1/C9H14O7S/c10-7(11)4-9(14,8(12)13)6-2-1-3-17(15,16)5-6/h6,14H,1-5H2,(H,10,11)(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cycloxydim" "" "101205-02-1" "single chemical entity" "Component is a metabolite of the substance" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "" "" "3-(1-oxidotetrahydro-2H-thiopyran-3-yl)pentanedioic acid" "Not in list" "C10H16O5S" "O=S1CCCC(C1)C(CC(=O)O)CC(=O)O" "InChI=1/C10H16O5S/c11-9(12)4-8(5-10(13)14)7-2-1-3-16(15)6-7/h7-8H,1-6H2,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Cycloxydim (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance cycloxydim" "40367" "2010" "doi:10.2903/j.efsa.2010.1669"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Cyhalofop-butyl" "601-817-0" "122008-85-9" "single chemical entity" "Component is a metabolite of the substance" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "" "" "4-{4-[(1R)-1-carboxyethoxy]phenoxy}-3-fluorobenzoic acid" "Cyhalofop-butyl (sum of cyhalofop butyl and its free acids)" "C16H13FO6" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C(=O)O" "InChI=1/C16H13FO6/c1-9(15(18)19)22-11-3-5-12(6-4-11)23-14-7-2-10(16(20)21)8-13(14)17/h2-9H,1H3,(H,18,19)(H,20,21)/t9-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Austria" "Cyhalofop-butyl (RAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance cyhalofop (variant evaluated cyhalofop-butyl)" "42034" "2015" "doi: 10.2903/j.efsa.2015.3943"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Dazomet" "208-576-7" "533-74-4" "single chemical entity" "Component is identical to the substance" "Dazomet" "208-576-7" "533-74-4" "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" "Dazomet" "C5H10N2S2" "CN1CSC(=S)N(C)C1" "InChI=1/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Dazomet (Revised)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance dazomet" "40458" "2010" "doi:10.2903/j.efsa.2010.1833"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Geraniol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Geraniol" "269-750-6" "106-24-1" "single chemical entity" "Component is identical to the substance" "Geraniol" "269-750-6" "106-24-1" "(2E)-3,7-dimethylocta-2,6-dien-1-ol" "geraniol" "C10H18O" "CC(=CCCC(=CCO)C)C" "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Geraniol (Final Addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance geraniol" "41218" "2012" "doi:10.2903/j.efsa.2012.2915"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Ethofumesate" "247-525-3" "26225-79-6" "single chemical entity" "Component is identical to the substance" "Ethofumesate" "247-525-3" "26225-79-6" "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate" "Ethofumesate" "C13H18O5S" "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Denmark" "Ethofumesate" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance ethofumesate" "42388" "2016" "doi:10.2903/j.efsa.2016.4374"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "24" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "Female" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "16" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imazaquin" "" "81335-37-7" "single chemical entity" "Component is identical to the substance" "Imazaquin" "" "81335-37-7" "2-(4-Methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic
+acid" "Imazaquin" "C17H17N3O3" "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Imazaquin" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazaquin" "40550" "2011" "doi:10.2903/j.efsa.2011.1968"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Not reported" "" "No data" "oral: unspecified" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Not reported" "" "No data" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Not reported" "" "No data" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "" "No data" "oral: unspecified" "1" "D" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is identical to the substance" "Imidacloprid" "" "138261-41-3" "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" "Imidacloprid" "C9H10ClN5O2" "ClC(C=C2)=NC=C2CN1/C(NCC1)=N/[N+]([O-])=O" "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "with" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, historical" "without" "Negative" "" "" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Ipconazole" "" "125225-28-7" "single chemical entity" "Component is identical to the substance" "Ipconazole" "" "125225-28-7" "2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Ipconazole" "C18H24ClN3O" "OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C" "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Ipconazole" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ipconazole." "41373" "2013" "doi:10.2903/j.efsa.2013.3181"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "16" "Male" "oral: feed" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is identical to the substance" "Kresoxim-methyl" "" "143390-89-0" "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate" "Kresoxim-methyl" "C18H19NO4" "CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC" "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-(2-{[2-(hydroxymethyl)phenoxy] methyl}phenyl)(methoxyimino)acetic acid" "" "" "(2E)-(2-{[2-(hydroxymethyl)phenoxy]methyl}phenyl)(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccccc1CO" "InChI=1/C17H17NO5/c1-22-18-16(17(20)21)14-8-4-2-7-13(14)11-23-15-9-5-3-6-12(15)10-19/h2-9,19H,10-11H2,1H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(2E)-{2-[(4-hydroxy-2-methylphenoxy) methyl]phenyl}(methoxyimino)acetic acid" "" "" "(2E)-{2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "OC(=O)\C(=N\OC)c2ccccc2COc1ccc(O)cc1C" "InChI=1/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "2-[2-(5-hydroxy-2-methylphenoxymethyl)phenyl]-2-methoxyiminoacetic acid" "" "" "(2E)-{2-[(5-hydroxy-2-methylphenoxy)methyl]phenyl}(methoxyimino)ethanoic acid" "Not in list" "C17H17NO5" "O=C(O)\C(=N\OC)c2ccccc2COc1cc(O)ccc1C" "InChI=1/C17H17NO5/c1-11-7-8-13(19)9-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "9" "Female" "oral: feed" "7" "D" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "9" "Female" "oral: feed" "7" "D" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is identical to the substance" "Iprovalicarb" "604-209-3" "" "propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate" "Iprovalicarb" "C18H28N2O3" "CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C" "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "9" "Female" "oral: feed" "7" "D" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "9" "Male" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "25" "Male" "oral: feed" "19" "week" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Iprovalicarb" "604-209-3" "" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-(4-methylphenyl)ethanamine" "" "" "(1RS)-1-(4-methylphenyl)ethanamine" "Not in list" "C9H13N" "Cc1ccc(cc1)C(N)C" "InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Iprovalicarb" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iprovalicarb" "42108" "2015" "doi:10.2903/j.efsa.2015.4060"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-5-ol dihydro-2-(nitroamino)-1H-imidazol-5-ol" "Not in list" "C9H10ClN5O3" "OC2C\N=C(\N[N+]([O-])=O)N2Cc1cnc(Cl)cc1" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "" "" "1[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-2-(nitroamino)-1H-imidazol-4-ol dihydro-2-(nitroamino)-1H-imidazol-4-ol" "Not in list" "C18H20Cl2N10O6" "OC/2CN(Cc1cnc(Cl)cc1)C(\N[N+]([O-])=O)=N\2" "InChI=1/C9H10ClN5O3/c10-7-2-1-6(3-11-7)4-14-5-8(16)12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "" "" "1-[(6-Chloro-3-pyridinyl)methyl]N-nitro-1H-imidazol-2-amine" "Not in list" "C9H8ClN5O2" "O=[N+]([O-])Nc2nccn2Cc1ccc(Cl)nc1" "InChI=1/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "" "Male" "oral: gavage" "" "" "no data" "not applicable" "Inconclusive" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "" "Male" "intraperitoneal" "" "" "no data" "not applicable" "Inconclusive" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Imidacloprid" "" "138261-41-3" "single chemical entity" "Component is a metabolite of the substance" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "" "" "1-[(6-chloro-3-pyridinyl)methyl]-,oxohydrazone" "Not in list" "C9H10ClN5O" "Clc2ncc(CN1CCN/C1=N\N=O)cc2" "InChI=1/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Imidacloprid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance imidacloprid" "39657" "2008" "doi:10.2903/j.efsa.2008.148r"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "N-{3-[(2RS)-2-hydroxybutan-2-yl]-1,2-oxazol-5-yl} -2,6-dimethoxybenzamide" "" "" "N-(3-ethylisoxazol-5-yl)-2,6-dimethoxybenzamide" "Not in list" "C15H20N2O5" "CCc2cc(NC(=O)c1c(OC)cccc1OC)on2" "InChI=1/C14H16N2O4/c1-4-9-8-12(20-16-9)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-8H,4H2,1-3H3,(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Sweden" "Isoxaben" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethoxybenzamide" "" "" "2,6-dimethoxybenzamide" "Not in list" "C9H11NO3" "COc1cccc(OC)c1C(N)=O" "InChI=1/C9H11NO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Isoxaben" "407-190-8" "82558-50-7" "single chemical entity" "Component is identical to the substance" "Isoxaben" "407-190-8" "82558-50-7" "2,6-Dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide" "Isoxaben" "C18H24N2O4" "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Isoxaben (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoxaben" "40424" "2010" "doi:10.2903/j.efsa.2010.1714"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "7" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "7" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "DIS13" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "other" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "other" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "5" "Female" "other" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "6" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Iron sulfate anhydrous" "231-753-5" "7720-78-7" "single chemical entity" "Component is identical to the substance" "Iron sulfate anhydrous" "231-753-5" "7720-78-7" "Iron(2+);sulfate" "Not in list" "FeO4S" "[O-]S(=O)(=O)[O-].[Fe+2]" "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Iron sulphate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance iron sulfate" "40933" "2012" "doi:10.2903/j.efsa.2012.2521"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Kresoxim-methyl" "" "143390-89-0" "single chemical entity" "Component is a metabolite of the substance" "(E)-methoxyamino(α-(o-tolyloxy)-o-tolyl]acetic acid" "" "" "(2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid" "Not in list" "C17H17NO4" "O=C(O)\C(=N\OC)c2ccccc2COc1ccccc1C" "InChI=1/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Lithuania" "Kresoxim-methyl" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance kresoxim-methyl" "40501" "2010" "doi:10.2903/j.efsa.2010.1891"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is identical to the substance" "Isopyrazam" "" "881685-58-1" "3-(difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide" "Isopyrazam" "C20H23F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2C1CCC(C1C(C)C)c23" "InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)" "organic" "representative compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1S,4R,9S)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-N-[(1R,8S,11S)-11-(2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@H]1CC[C@H]([C@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Isopyrazam" "" "881685-58-1" "single chemical entity" "Component is a metabolite of the substance" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "" "" "3-(difluoromethyl)-1-methyl-N-[(1R,4S,9R)-1,2,3,4-tetrahydro-9-(2-hydroxypropan-2-yl)-1,4-methanonaphthalen-5-yl]pyrazole-4-carboxamide" "Not in list" "C20H23F2N3O2" "FC(F)c4nn(C)cc4C(=O)Nc3cccc2[C@@H]1CC[C@@H]([C@@H]1C(C)(C)O)c23" "InChI=1/C20H23F2N3O2/c1-20(2,27)16-11-7-8-12(16)15-10(11)5-4-6-14(15)23-19(26)13-9-25(3)24-17(13)18(21)22/h4-6,9,11-12,16,18,27H,7-8H2,1-3H3,(H,23,26)/t11-,12+,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Isopyrazam" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isopyrazam" "40997" "2012" "doi:10.2903/j.efsa.2012.2600"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "3" "Male" "oral: unspecified" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "3" "Male" "oral: unspecified" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "3" "Male" "oral: unspecified" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "diethyl (2RS)-2-{[methoxy(methylsulfanyl)phosphoryl]sulfanyl}butanedioate" "" "" "diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate" "Not in list" "C10H19O6PS2" "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC" "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate" "" "1634-78-2" "Diethyl 2-dimethoxyphosphorylsulfanylbutanedioate" "Malaoxon" "C10H19O7PS" "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "12" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: feed" "6" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"Indolylbutyric acid" "205-101-5" "133-32-4" "single chemical entity" "Component is identical to the substance" "Indolylbutyric acid" "205-101-5" "133-32-4" "4-(1H-indol-3-yl)butanoic acid" "Not in list" "C12H13NO2" "OC(=O)CCCc1c[nH]c2ccccc12" "InChI=1/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Indolylbutiric acid (Revised DAR of September 2007)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance indolylbutyric acid" "40435" "2010" "doi:10.2903/j.efsa.2010.1720"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "single chemical entity" "Component is identical to the substance" "2,4,6,8-Tetramethyl-1,3,5,7-tetraoxacyclooctane" "203-600-2" "108-62-3" "2,4,6,8-Tetramethyl-1,3,5,7-tetroxocane" "Metaldehyde" "C8H16O4" "CC1OC(C)OC(C)OC(C)O1" "InChI=1/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Metaldehyde" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaldehyde" "40473" "2010" "doi:10.2903/j.efsa.2010.1856"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is identical to the substance" "Metobromuron" "221-301-5" "3060-89-7" "3-(4-bromophenyl)-1-methoxy-1-methylurea" "Metobromuron" "C9H11BrN2O2" "CN(C(=O)NC1=CC=C(C=C1)Br)OC" "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Picolinafen" "604-030-0" "137641-05-5" "single chemical entity" "Component is identical to the substance" "Picolinafen" "604-030-0" "137641-05-5" "N-(4-fluorophenyl)-6-[3(trifluoromethyl)phenoxy]pyridine-2carboxamide" "Picolinafen" "C19H12F4N2O2" "C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F" "InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Latvia" "Picolinafen" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picolinafen" "42312" "2015" "doi:10.2903/j.efsa.2015.4279"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent no treatment" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Picloram" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Picloram" "217-636-1" "1918-02-1" "single chemical entity" "Component is identical to the substance" "Picloram" "217-636-1" "1918-02-1" "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" "Picloram" "C6H3Cl3N2O2" "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Picloram (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance picloram" "40150" "2009" "doi:10.2903/j.efsa.2009.1390"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "40" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "40" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Pyriproxyfen" "" "95737-68-1" "single chemical entity" "Component is identical to the substance" "Pyriproxyfen" "" "95737-68-1" "2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine" "Pyriproxyfen" "C20H19NO3" "CC(OC3=NC=CC=C3)COC2=CC=C(C=C2)OC1=CC=CC=C1" "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "40" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyriproxyfen" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance pyriproxyfen" "40031" "2009" "doi:10.2903/j.efsa.2009.336r"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Propargite" "219-006-1" "2312-35-8" "single chemical entity" "Component is identical to the substance" "Propargite" "219-006-1" "2312-35-8" "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" "Propargite" "C19H26O4S" "CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C" "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Propargite" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance propargite" "40674" "2011" "doi:10.2903/j.efsa.2011.2087"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Prosulfocarb" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Prosulfocarb (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Prosulfocarb" "401-730-6" "52888-80-9" "single chemical entity" "Component is identical to the substance" "Prosulfocarb" "401-730-6" "52888-80-9" "S-benzyl dipropylcarbamothioate" "Prosulfocarb" "C14H21NOS" "CCCN(CCC)C(=O)SCc1ccccc1" "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden" "Prosulfocarb (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prosulfocarb" "39322" "2007" "doi:10.2903/j.efsa.2007.111r"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "3" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is identical to the substance" "Pyriofenone" "" "688046-61-9" "(5-Chloro-2-methoxy-4-methylpyridin-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Not in list" "C18H20ClNO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC" "InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyriofenone" "" "688046-61-9" "single chemical entity" "Component is a metabolite of the substance" "(5-chloro-2-methoxy-4-methyl-3-pyridinyl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "" "" "(5-chloro-2-methoxy-4-methylpyridin-3-yl)(4-hydroxy-2,3-dimethoxy-6-methylphenyl)methanone" "Not in list" "C17H18ClNO5" "COc2ncc(Cl)c(C)c2C(=O)c1c(C)cc(O)c(OC)C1oc" "InChI=1/C17H18ClNO5/c1-8-6-11(20)15(22-3)16(23-4)12(8)14(21)13-9(2)10(18)7-19-17(13)24-5/h6-7,20H,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyriofenone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyriofenone." "41367" "2013" "doi:10.2903/j.efsa.2013.3147"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "12" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is identical to the substance" "Pyridaben" "405-700-3" "96489-71-3" "2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one" "Pyridaben" "C19H25ClN2OS" "O=C1N(C(C)(C)C)N=CC(SCC2=CC=C(C(C)(C)C)C=C2)=C1Cl" "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "12" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "CM871" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Pyridaben" "405-700-3" "96489-71-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(1-tert-butyl-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)sulfanyl]methyl}phenyl)-2-methylpropanoic acid" "Not in list" "C19H23ClN2O3S" "CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C(=O)O)=C(Cl)C2=O" "InChI=1/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP67" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridaben" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridaben" "40337" "2010" "doi:10.2903/j.efsa.2010.1632"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Meptyldinocap" "228-088-8" "131-72-6" "single chemical entity" "Component is identical to the substance" "Meptyldinocap" "228-088-8" "131-72-6" "(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate" "Meptyldinocap (sum of 2,4 DNOPC and 2,4 DNOP expressed as meptyldinocap)" "C18H24N2O6" "CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]" "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Meptyldinocap (DE-126)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance DE-126, referred to as meptyldinocap in Commission Decision 2006/589/EC" "41642" "2014" "doi:10.2903/j.efsa.2014.3473"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is identical to the substance" "Mepiquat chloride" "246-147-6" "24307-26-4" "1,1-Dimethylpiperidin-1-ium;chloride" "Not in list" "C7H16ClN" "C[N+]1(CCCCC1)C.[Cl-]" "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "oral: feed" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Mepiquat chloride" "246-147-6" "24307-26-4" "single chemical entity" "Component is a metabolite of the substance" "4-hydroxy-1,1-dimethylpiperidinium chloride" "" "" "4-hydroxy-1,1-dimethylpiperidinium chloride" "Not in list" "C7H16ClNO" "[Cl-].C[N+]1(C)CCC(O)CC1" "InChI=1/C7H16NO.ClH/c1-8(2)5-3-7(9)4-6-8;/h7,9H,3-6H2,1-2H3;1H/q+1;/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Mepiquat-chloride (Addendum 2)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance mepiquat" "39657" "2008" "doi:10.2903/j.efsa.2008.146r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "20" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is identical to the substance" "Oxamyl" "" "23135-22-0" "(EZ)-N,N-dimethyl-2-methylcarbamoyloxyimino-2-(methylthio)acetamide" "Oxamyl" "C7H13N3O3S" "CNC(=O)O/N=C(/C(=O)N(C)C)\SC" "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "20" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Oxamyl" "" "23135-22-0" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-1-cyanoformamide" "" "" "[(cyanocarbonyl)azanediyl]dimethane" "Not in list" "C4H6N2O" "CN(C)C(=O)C#N" "InChI=1S/C4H6N2O/c1-6(2)4(7)3-5/h1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Oxamyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxamyl" "38442" "2005" "doi:10.2903/j.efsa.2005.26r"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: unspecified" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Pyraflufen-ethyl" "603-347-1" "129630-19-9" "single chemical entity" "Component is identical to the substance" "Pyraflufen-ethyl" "603-347-1" "129630-19-9" "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate" "Pyraflufen-ethyl" "C15H13Cl2F3N2O4" "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyraflufen-ethyl (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyraflufen-ethyl" "42040" "2015" "doi:10.2903/j.efsa.2015.4001"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Methomyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methomyl (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Methomyl" "240-815-0" "16752-77-5" "single chemical entity" "Component is identical to the substance" "Methomyl" "240-815-0" "16752-77-5" "methyl N-[(methylcarbamoyl)oxy]ethanimidothioate" "Methomyl" "C5H10N2O2S" "CSC(C)=NOC(NC)=O" "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methomyl (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance methomyl" "39909" "2009" "doi:10.2903/j.efsa.2009.222r"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Metrafenone" "" "220899-03-6" "single chemical entity" "Component is identical to the substance" "Metrafenone" "" "220899-03-6" "(3-Bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone" "Metrafenone" "C19H21BrO5" "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Metrafenone" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metrafenone" "38749" "2006" "doi:10.2903/j.efsa.2006.58r"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Prohexadione-calcium" "" "127277-53-6" "single chemical entity" "Component is identical to the substance" "Prohexadione-calcium" "" "127277-53-6" "Calcium;1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate" "Not in list" "C20H22CaO10" "CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]" "InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Prohexadione-calcium" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prohexadione (considered variant prohexadione-calcium)" "40263" "2010" "doi:10.2903/j.efsa.2010.1555"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Inconclusive" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is identical to the substance" "Proquinazid" "" "189278-12-4" "6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one" "Proquinazid" "C14H17IN2O2" "Ic1ccc2N=C(OCCC)N(CCC)C(=O)c2c1" "InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Proquinazid" "" "189278-12-4" "single chemical entity" "Component is a metabolite of the substance" "2-Propoxy-3-propylquinazolin-4(3H)-one" "" "" "2-propoxy-3-propylquinazolin-4(3H)-one" "Not in list" "C14H18N2O2" "CCCOC2=Nc1ccccc1C(=O)N2CCC" "InChI=1S/C14H18N2O2/c1-3-9-16-13(17)11-7-5-6-8-12(11)15-14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Proquinazid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance proquinazid" "40115" "2009" "doi:10.2903/j.efsa.2009.1350"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM881" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM881" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is identical to the substance" "Pyrimethanil" "414-220-3" "53112-28-0" "4,6-dimethyl-N-phenylpyrimidin-2-amine" "Pyrimethanil" "C12H13N3" "CC1=NC(NC2=CC=CC=C2)=NC(C)=C1" "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Pyrimethanil" "414-220-3" "53112-28-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4,6-dimethylpyrimidine" "" "" "4,6-dimethylpyrimidin-2-amine" "Pyrimethanil metabolite (AEF132593)" "C6H9N3" "Cc1cc(C)nc(N)n1" "InChI=1/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Pyrimethanil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pyrimethanil" "38769" "2006" "doi:10.2903/j.efsa.2006.61r"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "2" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Oxadiazon" "243-215-7" "19666-30-9" "single chemical entity" "Component is identical to the substance" "Oxadiazon" "243-215-7" "19666-30-9" "5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" "Oxadiazon" "C15H18Cl2N2O3" "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Italy" "Oxadiazon" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxadiazon" "40228" "2010" "doi:10.2903/j.efsa.2010.1389"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Methiocarb" "217-991-2" "2032-65-7" "single chemical entity" "Component is identical to the substance" "Methiocarb" "217-991-2" "2032-65-7" "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" "Methiocarb" "C11H15NO2S" "CNC(=O)Oc1cc(C)c(SC)c(C)c1" "InChI=1/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: unspecified" "48" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Methiocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance methiocarb" "41120" "2012" "doi:10.2903/j.efsa.2012.2758"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Pyrethrins" "" "8003-34-7" "complex product: derived from botanical sources" "Component is identical to the substance" "Pyrethrins" "" "8003-34-7" "[(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" "Pyrethrins" "C43H56O8" "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" "InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+;9-8+/t16?,18?,19-;16?,18-,19-/m00/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Pyrethrins (Final Addendum to the DAR)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyrethrins" "41283" "2013" "doi:10.2903/j.efsa.2013.3032"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "25.5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "25.5" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is identical to the substance" "Metamitron" "255-349-3" "41394-05-2" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" "Metamitron" "C10H10N4O" "O=C1C(C2=CC=CC=C2)=NN=C(C)N1N" "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "30" "Male" "oral: gavage" "10" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metamitron" "255-349-3" "41394-05-2" "single chemical entity" "Component is a metabolite of the substance" "3-methyl-4-amino-6-phenyl-1,2,4-triazine-5-one-oxide" "" "" "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one 1-oxide" "Not in list" "C10H10N4O2" "O=C2C(c1ccccc1)=[N+]([O-])N=C(C)N2N" "InChI=1/C10H10N4O2/c1-7-12-14(16)9(10(15)13(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metamitron" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metamitron" "39743" "2008" "doi:10.2903/j.efsa.2008.185r"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "oral: unspecified" "8" "week" "yes, concurrent no treatment" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is identical to the substance" "Mandipropamid" "" "374726-62-2" "2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide" "Mandipropamid" "C23H22ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2" "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Mandipropamid" "" "374726-62-2" "single chemical entity" "Component is a metabolite of the substance" "(4-Chloro-phenyl)-prop-2-ynyloxy-acetic acid" "" "" "3-{[(4-chlorophenyl)(prop-2-yn-1-yloxy)acetyl]amino}propanoic acid" "Not in list" "C14H14ClNO4" "Clc1ccc(cc1)C(OCC#C)C(=O)NCCC(=O)O" "InChI=1/C14H14ClNO4/c1-2-9-20-13(10-3-5-11(15)6-4-10)14(19)16-8-7-12(17)18/h1,3-6,13H,7-9H2,(H,16,19)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Mandipropamid" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance mandipropamid" "41218" "2012" "doi:10.2903/j.efsa.2012.2935"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "16" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "16" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is identical to the substance" "Lufenuron" "" "103055-07-8" "N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamide" "Lufenuron" "C17H8Cl2F8N2O3" "O=C(NC(NC2=C(Cl)C=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C2)=O)C1=C(F)C=CC=C1F" "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Lufenuron" "" "103055-07-8" "single chemical entity" "Component is a metabolite of the substance" "2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoro-propoxy)-phenylamine" "" "" "2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline" "Not in list" "C9H5Cl2F6NO" "Clc1cc(N)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F" "InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Portugal" "Lufenuron" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance lufenuron" "39986" "2009" "doi:10.2903/j.efsa.2009.189r"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "" "" "5-amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide" "Not in list" "C9H9Cl2N5O2S" "O=S(=O)(Nc1c(Cl)c(C)ccc1Cl)c2nc(N)nn2" "InChI=1S/C9H9Cl2N5O2S/c1-4-2-3-5(10)7(6(4)11)16-19(17,18)9-13-8(12)14-15-9/h2-3,16H,1H3,(H3,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4] triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C13H11Cl2N5O4S" "Clc1c(C)ccc(Cl)c1NS(=O)(=O)c2nc3nc(cc(O)n3n2)OC" "InChI=1S/C13H11Cl2N5O4S/c1-6-3-4-7(14)11(10(6)15)19-25(22,23)13-17-12-16-8(24-2)5-9(21)20(12)18-13/h3-5,19,21H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "" "" "N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Not in list" "C12H9Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(O)cc(O)n2n1" "InChI=1S/C12H9Cl2N5O4S/c1-5-2-3-6(13)10(9(5)14)18-24(22,23)12-16-11-15-7(20)4-8(21)19(11)17-12/h2-4,18,21H,1H3,(H,15,16,17,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "20" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metosulam" "" "139528-85-1" "single chemical entity" "Component is identical to the substance" "Metosulam" "" "139528-85-1" "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide" "Metosulam" "C14H13Cl2N5O4S" "Clc3c(C)ccc(Cl)c3NS(=O)(=O)c1nc2nc(cc(OC)n2n1)OC" "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Metosulam (Addendum)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metosulam" "40303" "2010" "doi:10.2903/j.efsa.2010.1592"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is identical to the substance" "Metaflumizone" "604-167-6" "139968-49-3" "1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Metaflumizone (sum of E- and Z- isomers)" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: unspecified" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is part of a group assessment" "Z-isomer of metaflumizone" "604-167-6" "139968-49-3" "1-[(Z)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea" "Not in list" "C24H16F6N4O2" "C1=CC(=CC(=C1)C(F)(F)F)C(=NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C#N" "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{(5RS)-5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "" "" "4-{5-hydroxy-3-oxo-4-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazin-5-yl}benzonitrile" "Not in list" "C25H17F5N4O3" "CC(F)(F)Oc1ccc(cc1)N3C(=O)NN=C(c2cc(ccc2)C(F)(F)F)C3(O)c4ccc(C#N)cc4" "InChI=1/C25H17F5N4O3/c1-23(26,27)37-20-11-9-19(10-12-20)34-22(35)33-32-21(16-3-2-4-18(13-16)25(28,29)30)24(34,36)17-7-5-15(14-31)6-8-17/h2-13,36H,1H3,(H,33,35)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "" "" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "Not in list" "C16H10F3NO" "FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2" "InChI=1/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "" "" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "Not in list" "C16H10F3NO" "FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2" "InChI=1/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "" "" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "Not in list" "C16H10F3NO" "FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2" "InChI=1/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "" "" "4-{2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile" "Not in list" "C16H10F3NO" "FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2" "InChI=1/C16H10F3NO/c17-16(18,19)14-3-1-2-13(9-14)15(21)8-11-4-6-12(10-20)7-5-11/h1-7,9H,8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Metaflumizone" "604-167-6" "139968-49-3" "single chemical entity" "Component is a metabolite of the substance" "4-cyanobenzoic acid" "210-606-9" "" "4-cyanobenzoic acid" "Not in list" "C8H5NO2" "C1=CC(=CC=C1C#N)C(=O)O" "InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metaflumizone" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metaflumizone." "41550" "2013" "doi:10.2903/j.efsa.2013.3373"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "" "" "N-(6-chloro-7-hydroxy-5-methoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "N-(6-chloro-7-hydroxy-5-methoxy [1,2,4] triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl) pyridine -3-sulfonamide" "C13H10ClF3N6O5S" "FC(F)(F)c1ccnc(OC)c1S(=O)(=O)Nc2nc3nc(OC)c(Cl)c(O)n3n2" "InChI=1S/C13H10ClF3N6O5S/c1-27-8-6(14)10(24)23-12(19-8)20-11(21-23)22-29(25,26)7-5(13(15,16)17)3-4-18-9(7)28-2/h3-4,24H,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)-3-pyridinesulfonic acid" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonic acid" "Not in list" "C7H6F3NO4S" "COc1nccc(c1S(=O)(=O)O)C(F)(F)F" "InChI=1S/C7H6F3NO4S/c1-15-6-5(16(12,13)14)4(2-3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is a metabolite of the substance" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "" "" "2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "2-Methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "C7H7F3N2O3S" "COc1nccc(c1S(N)(=O)=O)C(F)(F)F" "InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is identical to the substance" "Prothioconazole" "" "178928-70-6" "2-[2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,
+4-triazole-3-thione" "Prothioconazole" "C14H15Cl2N3OS" "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1Hpyrazole-5-sulfonic acid" "" "" "1-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-sulfonic acid" "Not in list" "C15H16Cl2N2O4S" "OC(Cn1nccc1S(=O)(=O)O)(Cc2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C15H16Cl2N2O4S/c16-12-4-2-1-3-11(12)9-15(20,14(17)6-7-14)10-19-13(5-8-18-19)24(21,22)23/h1-5,8,20H,6-7,9-10H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "1-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazol-5(4H)-one" "" "" "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one" "Not in list" "C14H15Cl2N3O2" "O=C3NC=NN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol" "Not in list" "C14H15Cl2N3O2" "OC(Cn1cncn1)(C(O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)12(20)14(21,13(16)5-6-13)7-19-9-17-8-18-19/h1-4,8-9,12,20-21H,5-7H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "" "" "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl acetate" "Not in list" "C16H17Cl2N3O3" "OC(Cn1cncn1)(C(OC(C)=O)c2ccccc2Cl)C3(Cl)CC3" "InChI=1S/C16H17Cl2N3O3/c1-11(22)24-14(12-4-2-3-5-13(12)17)16(23,15(18)6-7-15)8-21-10-19-9-20-21/h2-5,9-10,14,23H,6-8H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Prothioconazole" "" "178928-70-6" "single chemical entity" "Component is a metabolite of the substance" "2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "" "" "2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)propane-1,2-diol" "Not in list" "C12H14Cl2O2" "OCC(O)(Cc1ccccc1Cl)C2(Cl)CC2" "InChI=1S/C12H14Cl2O2/c13-10-4-2-1-3-9(10)7-12(16,8-15)11(14)5-6-11/h1-4,15-16H,5-8H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Prothioconazole (JAU 6476)" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance prothioconazole" "39295" "2007" "doi:10.2903/j.efsa.2007.106r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is identical to the substance" "Penoxsulam (DE 638)" "" "219714-96-2" "2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Penoxsulam" "C16H14F5N5O5S" "COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC" "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Penoxsulam (DE-638)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(5-hydroxy-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C15H12F5N5O5S" "FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(O)n3n2)OC" "InChI=1S/C15H12F5N5O5S/c1-29-9-5-21-14(26)25-12(9)22-13(23-25)24-31(27,28)11-7(15(18,19)20)3-2-4-8(11)30-6-10(16)17/h2-5,10H,6H2,1H3,(H,21,26)(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "3-({[2-(2,2-Difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "" "" "3-({[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazole-5-carboxylic acid" "Not in list" "C11H9F5N4O5S" "OC(=O)c1nnc(NS(=O)(=O)c2c(OCC(F)F)cccc2C(F)(F)F)[nH]1" "InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Penoxsulam" "" "219714-96-2" "single chemical entity" "Component is a metabolite of the substance" "2-(2,2-Difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "" "" "2-(2,2-difluoroethoxy)-N-(1H-1,2,4-triazol-3-yl)-6-(trifluoromethyl)benzenesulfonamide" "Not in list" "C11H9F5N4O3S" "O=S(=O)(Nc1ncnn1)c2c(cccc2OCC(F)F)C(F)(F)F" "InChI=1/C11H9F5N4O3S/c12-8(13)4-23-7-3-1-2-6(11(14,15)16)9(7)24(21,22)20-10-17-5-18-19-10/h1-3,5,8H,4H2,(H2,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Penoxsulam (Final Addendum to the DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance penoxsulam" "40078" "2009" "doi:10.2903/j.efsa.2009.343r"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is identical to the substance" "Pyridate" "259-686-7" "55512-33-9" "O-6-chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate" "Pyridate" "C19H23CIN2O2S" "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "Rat (as animal)" "Fischer344" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "Pyridafol" "254-752-1" "40020-01-7" "6-chloro-3-phenylpyridazin-4-ol" "CL 9673 (6-chloro-4-hydroxy-3-phenylpyridazin)" "C10H7ClN2O" "C1=CC=C(C=C1)C2=NN=C(C=C2O)Cl" "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Pyridate" "259-686-7" "55512-33-9" "single chemical entity" "Component is a metabolite of the substance" "6-chloro-4-methoxy-3-phenylpyridazine" "" "40020-02-8" "6-chloro-4-methoxy-3-phenylpyridazine" "Not in list" "C11H9ClN2O" "COC1=CC(=NN=C1C2=CC=CC=C2)Cl" "InChI=1S/C11H9ClN2O/c1-15-9-7-10(12)13-14-11(9)8-5-3-2-4-6-8/h2-7H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria - CoRMS: Latvia" "Pyridate (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridate" "41859" "2014" "doi:10.2903/j.efsa.2014.3801"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is identical to the substance" "Prosulfuron" "" "94125-34-5" "1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenylsulfonyl]urea" "Prosulfuron" "C15H16F3N5O4S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C11H13F3N4O3S" "O=S(=O)(NC(=O)NC(=N)N)c1ccccc1CCC(F)(F)F" "InChI=1S/C11H13F3N4O3S/c12-11(13,14)6-5-7-3-1-2-4-8(7)22(20,21)18-10(19)17-9(15)16/h1-4H,5-6H2,(H5,15,16,17,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Prosulfuron" "" "94125-34-5" "single chemical entity" "Component is a metabolite of the substance" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "" "" "2-(3,3,3-trifluoropropyl)benzenesulfonamide" "Not in list" "C9H10F3NO2S" "C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N" "InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Slovakia" "Prosulfuron" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prosulfuron" "41884" "2014" "doi:10.2903/j.efsa.2014.3815"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "Not reported" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is identical to the substance" "Pyridalyl" "" "179101-81-6" "2,6-dichloro-4-(3,3-dichloroallyloxy)phenyl 3-[5-(trifluoromethyl)-2-pyridyloxy]propyl ether" "Pyridalyl" "C18H14Cl4F3NO3" "C1=CC(=NC(=C1)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl)C(F)(F)F" "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "Not reported" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "4" "Male" "Not reported" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "5-(Trifluoromethyl)-2(1H)-pyridinone" "" "33252-63-0" "5-(Trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H4F3NO" "C1=CC(=O)NC=C1C(F)(F)F" "InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "4" "Male" "Not reported" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Pyridalyl" "" "179101-81-6" "single chemical entity" "Component is a metabolite of the substance" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "" "" "3-hydroxy-5-(trifluoromethyl)pyridin-2(1H)-one" "Not in list" "C6H4F3NO2" "OC1=CC(=CNC1=O)C(F)(F)F" "InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Pyridalyl (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyridalyl." "41515" "2013" "doi:10.2903/j.efsa.2013.3240"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "15" "Female" "intraperitoneal" "2" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "10" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "15" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Oryzalin" "242-777-0" "19044-88-3" "single chemical entity" "Component is identical to the substance" "Oryzalin" "242-777-0" "19044-88-3" "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" "Oryzalin" "C12H18N4O6S" "[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(N)(=O)=O" "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oryzalin (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oryzalin." "40424" "2010" "doi:10.2903/j.efsa.2010.1707"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "RAW 264.7" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "30" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "30" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is identical to the substance" "Lambda-cyhalothrin" "415-130-7" "91465-08-6" "[Cyano-(3-phenoxyphenyl)methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate" "Lambda-Cyhalothrin" "C23H19ClF3NO3" "C1([C@H]([C@H]1C(O[C@@H](c1cc(Oc2ccccc2)ccc1)C#N)=O)\C=C(\C(F)(F)F)Cl)(C)C" "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1" "organic" "representative isomer" "ChemIDPlus" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "30" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl (1RS,3RS)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate" "" "" "2-amino-2-oxo-1-(3-phenoxyphenyl)ethyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate" "Not in list" "C23H21ClF3NO4" "Cl\C(=C/C3C(C(=O)OC(c2cccc(Oc1ccccc1)c2)C(N)=O)C3(C)C)C(F)(F)F" "InChI=1S/C23H21ClF3NO4/c1-22(2)16(12-17(24)23(25,26)27)18(22)21(30)32-19(20(28)29)13-7-6-10-15(11-13)31-14-8-4-3-5-9-14/h3-12,16,18-19H,1-2H3,(H2,28,29)/b17-12-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-hydroxy(3-phenoxyphenyl)acetonitrile" "" "" "hydroxy(3-phenoxyphenyl)acetonitrile" "Not in list" "C14H11NO2" "N#CC(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H11NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9,14,16H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(3-phenoxyphenyl)methanol" "237-525-1" "13826-35-2" "(3-phenoxyphenyl)methanol" "Not in list" "C13H12O2" "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO" "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "hydroxy(3-phenoxyphenyl)acetic acid" "" "" "hydroxy(3-phenoxyphenyl)acetic acid" "Not in list" "C14H12O4" "O=C(O)C(O)c2cc(Oc1ccccc1)ccc2" "InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "44" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "44" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@@H]1[C@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "68" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Lambda-cyhalothrin" "415-130-7" "91465-08-6" "single chemical entity" "Component is a metabolite of the substance" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "" "" "(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid" "Not in list" "C9H10ClF3O2" "Cl\C(=C/[C@H]1[C@@H](C(=O)O)C1(C)C)C(F)(F)F" "InChI=1/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "68" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden - CoRMS: Spain" "Lambda-Cyhalothrin" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lambda-cyhalothrin" "41772" "2014" "doi:10.2903/j.efsa.2014.3677"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is identical to the substance" "Pymetrozine" "" "123312-89-0" "6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one" "Pymetrozine" "C10H11N5O" "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "3" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "" "" "4-amino-6-methyl-4,5-dihydro-1,2,4-triazin-3(2H)-one" "Not in list" "C4H8N4O" "O=C1NN=C(C)CN1N" "InChI=1S/C4H8N4O/c1-3-2-8(5)4(9)7-6-3/h2,5H2,1H3,(H,7,9)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "4" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Pymetrozine" "" "123312-89-0" "single chemical entity" "Component is a metabolite of the substance" "nicotinaldehyde" "207-900-4" "" "pyridine-3-carbaldehyde" "Not in list" "C6H5NO" "C1=CC(=CN=C1)C=O" "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Belgium" "Pymetrozine (Final Addendum to the DAR)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pymetrozine" "41891" "2014" "doi:10.2903/j.efsa.2014.3817"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "no evidence" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propaquizafop" "" "111479-05-1" "single chemical entity" "Component is identical to the substance" "Propaquizafop" "" "111479-05-1" "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" "Propaquizafop" "C22H22ClN3O5" "C/C(C)=N\OCCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2" "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Italy" "Propaquizafop" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of propaquizafop (an ester variant of quizalofop-P)" "39889" "2009" "doi:10.2903/j.efsa.2009.204r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "36" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CFLP" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Propamocarb hydrochloride" "247-125-9" "25606-41-1" "single chemical entity" "Component is identical to the substance" "Propamocarb hydrochloride" "247-125-9" "25606-41-1" "Dimethyl-[3-(propoxycarbonylamino)propyl]azanium;chloride" "N-desmethyl propamocarb" "C9H21ClN2O2" "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "25" "Male" "oral: drinking water" "8" "week" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Propamocarb" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance propamocarb" "38903" "2006" "doi:10.2903/j.efsa.2006.78r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Female" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Female" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is identical to the substance" "Metribuzin" "244-209-7" "21087-64-9" "4-Amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one" "Metribuzin" "C8H14N4OS" "CC(C)(C)C1=NN=C(N(C1=O)N)SC" "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Metribuzin" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Metribuzin" "244-209-7" "21087-64-9" "single chemical entity" "Component is a metabolite of the substance" "desaminodiketo-metribuzin" "" "" "6-tert-butyl-2H-1,2,4-triazine-3,5-dione" "Not in list" "C7H11N3O2" "CC(C)(C)C1=NNC(=O)NC1=O" "InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Metribuzin (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metribuzin" "38978" "2006" "doi:10.2903/j.efsa.2006.88r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CF-1" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: unspecified" "16" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Hamster (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Prochloraz-Copper" "" "156065-03-1" "Dichlorotetrakids-[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl] imidazole-1-carboxamide]copper(II)" "Not in list" "C60H64Cl14CuN12O8" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male" "oral: feed" "8" "week" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "3-Formyl-1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "" "" "N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide" "Not in list" "C13H15Cl3N2O3" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O" "InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is a metabolite of the substance" "1-Propyl-1-[2-(2,4,6 trichlorophenoxy)ethyl]urea" "" "" "1-Propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea" "Not in list" "C12H15Cl3N2O2" "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N" "InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Prochloraz" "266-994-5" "67747-09-5" "single chemical entity" "Component is identical to the substance" "Prochloraz" "266-994-5" "67747-09-5" "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" "Prochloraz" "C15H16Cl3N3O2" "O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2" "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Prochloraz (Addendum)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance prochloraz" "40746" "2011" "doi:10.2903/j.efsa.2011.2323"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No data" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is identical to the substance" "Pirimicarb" "245-430-1" "23103-98-2" "[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate" "Pirimicarb" "C11H18N4O2" "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "" "" "5,6-dimethyl-2-(methylamino)pyrimidin-4-ol" "Not in list" "C7H11N3O" "Cc1nc(NC)nc(O)c1C" "InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "6" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "6" "Male/Female" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimicarb" "245-430-1" "23103-98-2" "single chemical entity" "Component is a metabolite of the substance" "2-dimethylamino-5,6-dimethylpyrimidin-4-ol" "" "" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "Not in list" "C8H13N3O" "Cc1nc(nc(O)c1C)N(C)C" "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimicarb" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance pirimicarb" "38595" "2005" "doi:10.2903/j.efsa.2005.43r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "16" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "2" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "TA1532" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Pirimiphos-methyl" "249-528-5" "29232-93-7" "single chemical entity" "Component is identical to the substance" "Pirimiphos-methyl" "249-528-5" "29232-93-7" "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" "Pirimiphos-methyl" "C11H20N3O3PS" "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" "InChI=1/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "ICR" "4" "Female" "Not reported" "" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pirimiphos-methyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance pirimiphos-methyl" "38595" "2005" "doi:10.2903/j.efsa.2005.44r"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: unspecified" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is identical to the substance" "Isoxaflutole" "604-222-4" "141112-29-0" "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone" "Isoxaflutole" "C15H12F3NO4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "" "" "3-cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile" "Not in list" "C15H12F3NO4S" "O=C(C(C#N)C(=O)C1CC1)c2ccc(cc2S(C)(=O)=O)C(F)(F)F" "InChI=1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Isoxaflutole" "604-222-4" "141112-29-0" "single chemical entity" "Component is a metabolite of the substance" "2-mesyl-4-trifluoromethylbenzoic acid" "" "142994-06-7" "2-methylsulfonyl-4-(trifluoromethyl)benzoic acid" "Not in list" "C9H7F3O4S" "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O" "InChI=1S/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy - CoRMS: Slovenia" "Isoxaflutole" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance isoxaflutole" "42424" "2016" "doi:10.2903/j.efsa.2016.4416"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "Male" "Not reported" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is identical to the substance" "Pinoxaden" "" "243973-20-8" "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate" "Pinoxaden" "C23H32N2O4" "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "Male" "Not reported" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "No data" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (NOA 447204)" "" "" "8-(2,6-diethyl-4-methyl-phenyl)-8-hydroxy -tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione" "Not in list" "C18H24N2O4" "CCc1cc(C)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "No data" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 502836)" "" "" "3,5-diethyl-4-(9-hydroxy-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-8-yl)benzoic acid" "Not in list" "C18H22N2O5" "O=C(O)c3cc(CC)c(C=2C(=O)N1CCOCCN1C=2O)c(CC)c3" "InChI=1S/C18H22N2O5/c1-3-11-9-13(18(23)24)10-12(4-2)14(11)15-16(21)19-5-7-25-8-6-20(19)17(15)22/h9-10,21H,3-8H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "35" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "35" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pinoxaden" "" "243973-20-8" "single chemical entity" "Component is a metabolite of the substance" "Pinoxaden metabolite (SYN 505887)" "" "" "8-[2,6-diethyl-4-(hydroxymethyl)phenyl]-8-hydroxytetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione" "Not in list" "C18H24N2O5" "CCc1cc(CO)cc(CC)c1C3(O)C(=O)N2CCOCCN2C3=O" "InChI=1S/C18H24N2O5/c1-3-13-9-12(11-21)10-14(4-2)15(13)18(24)16(22)19-5-7-25-8-6-20(19)17(18)23/h9-10,21,24H,3-8,11H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "3" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Pinoxaden (NOA 407855)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pinoxaden." "41502" "2013" "doi:10.2903/j.efsa.2013.3269"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Strain S211c S. cerevisiae" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S138" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "other" "in vitro" "No guideline available" "Not reported" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "other" "in vitro" "No guideline available" "Not reported" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "Yes" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "oral: unspecified" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is identical to the substance" "Pencycuron" "266-096-3" "66063-05-6" "1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea" "Pencycuron" "C19H21ClN2O" "O=C(NC2=CC=CC=C2)N(C3CCCC3)CC1=CC=C(Cl)C=C1" "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Pencycuron" "266-096-3" "66063-05-6" "single chemical entity" "Component is a metabolite of the substance" "N-(4-chlorobenzyl)cyclopentanamine" "" "" "N-(4-chlorobenzyl)cyclopentanamine" "Not in list" "C12H16ClN" "Clc1ccc(cc1)CNC2CCCC2" "InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Pencycuron (Final Addendum to the DAR)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pencycuron" "40455" "2010" "doi:10.2903/j.efsa.2010.1828"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "4" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "direct evidence-cytotoxicity" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is identical to the substance" "Phosalone" "218-996-2" "2310-17-0" "S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate" "Phosalone" "C12H15ClNO4PS2" "CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12" "InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Phosalone" "218-996-2" "2310-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-amino-7-chloro-3H-phenoxazin-3-one" "" "" "2-amino-7-chloro-3H-phenoxazin-3-one" "Not in list" "C12H7ClN2O2" "NC1=CC2=Nc3ccc(Cl)cc3OC2=CC1=O" "InChI=1S/C12H7ClN2O2/c13-6-1-2-8-11(3-6)17-12-5-10(16)7(14)4-9(12)15-8/h1-5H,14H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Austria" "Phosalone" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosalone" "38782" "2006" "doi:10.2903/j.efsa.2006.60r"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is identical to the substance" "Penflufen" "" "494793-67-8" "5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O" "O=C(Nc1ccccc1C(C)CC(C)C)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "5-fluoro-N-[2-(3-hydroxy-1,3-dimethylbutyl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "5-fluoro-N-[2-(4-hydroxy-4-methylpentan-2-yl)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H24FN3O2" "O=C(Nc1ccccc1C(C)CC(C)(C)O)c2c(F)n(C)nc2C" "InChI=1S/C18H24FN3O2/c1-11(10-18(3,4)24)13-8-6-7-9-14(13)20-17(23)15-12(2)21-22(5)16(15)19/h6-9,11,24H,10H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Penflufen" "" "494793-67-8" "single chemical entity" "Component is a metabolite of the substance" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "" "" "N-(2-acetylphenyl)-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide" "Not in list" "C14H14FN3O2" "O=C(Nc1ccccc1C(C)=O)c2c(F)n(C)nc2C" "InChI=1S/C14H14FN3O2/c1-8-12(13(15)18(3)17-8)14(20)16-11-7-5-4-6-10(11)9(2)19/h4-7H,1-3H3,(H,16,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Penflufen" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penflufen" "41142" "2012" "doi:10.2903/j.efsa.2012.2860"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "60" "Male/Female" "oral: gavage" "51" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "60" "Male/Female" "oral: gavage" "27" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "60" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Oxyfluorfen" "255-983-0" "42874-03-3" "single chemical entity" "Component is identical to the substance" "Oxyfluorfen" "255-983-0" "42874-03-3" "2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene" "Oxyfluorfen" "C15H11ClF3NO4" "Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Oxyfluorfen" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance oxyfluorfen" "40505" "2010" "doi:10.2903/j.efsa.2010.1906"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "16" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "16" "Male/Female" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "6" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is identical to the substance" "Paclobutrazol" "" "76738-62-0" "1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol" "Paclobutrazol" "C15H20ClN3O" "OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2" "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Paclobutrazol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Paclobutrazol" "" "76738-62-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole lactic acid" "" "" "2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole lactic acid" "C5H7N3O3" "OC(Cn1cncn1)C(=O)O" "InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "Rms: The United Kingdom" "Paclobutrazol (Additional Report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance paclobutrazol" "40486" "2010" "doi:10.2903/j.efsa.2010.1876"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "24" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "24" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "[2-(dimethylcarbamoyl)phenyl] sulfamic acid" "" "" "[2-(dimethylcarbamoyl)phenyl]sulfamic acid" "Not in list" "C9H12N2O4S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)O" "InChI=1S/C9H12N2O4S/c1-11(2)9(12)7-5-3-4-6-8(7)10-16(13,14)15/h3-6,10H,1-2H3,(H,13,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "(4,6-dimethoxypyrimidin-2-yl)urea" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)urea" "Not in list" "C7H10N4O3" "O=C(N)Nc1nc(cc(OC)n1)OC" "InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-methoxy-6-hydroxypyrimidin-2-yl)-3-[2-(2-dimethylcarbamoyl)phenylsulfamoyl]urea" "" "" "2-{[({[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]amino}oxy)sulfinyl]amino}-N,N-dimethylbenzamide" "Not in list" "C15H18N6O6S" "O=C(Nc1nc(O)cc(OC)n1)NOS(=O)Nc2ccccc2C(=O)N(C)C" "InChI=1S/C15H18N6O6S/c1-21(2)13(23)9-6-4-5-7-10(9)20-28(25)27-19-15(24)18-14-16-11(22)8-12(17-14)26-3/h4-8,20H,1-3H3,(H3,16,17,18,19,22,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Orthosulfamuron" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "no data" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "AB/Jena Halle House mouse" "6" "Male" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "AB/Jena Halle House mouse" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "AB/Jena Halle House mouse" "6" "Male" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Phosmet" "211-987-4" "732-11-6" "single chemical entity" "Component is identical to the substance" "Phosmet" "211-987-4" "732-11-6" "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" "Phosmet" "C11H12NO4PS2" "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" "InChI=1/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "AB/Jena Halle House mouse" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Spain" "Phosmet" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance phosmet" "38889" "2006" "doi:10.2903/j.efsa.2006.75r"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is identical to the substance" "Penthiopyrad" "" "183675-82-3" "1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Penthiopyrad" "C16H20F3N3OS" "O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "Not reported" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H3F3N2O2" "C1=NNC(=C1C(=O)O)C(F)(F)F" "InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid" "" "" "1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C6H5F3N2O2" "FC(F)(F)c1nn(C)cc1C(=O)O" "InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-(4-hydroxy-4-methylpentan-2-yl)thiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O2S" "O=C(Nc1ccsc1C(C)CC(C)(C)O)c2cn(C)nc2C(F)(F)F" "InChI=1S/C16H20F3N3O2S/c1-9(7-15(2,3)24)12-11(5-6-25-12)20-14(23)10-8-22(4)21-13(10)16(17,18)19/h5-6,8-9,24H,7H2,1-4H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "N-[5-hydroxy-5-(1,3-dimethylbutyl)-2-oxo-2,5-dihydrothiophen-4-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxo-2,5-dihydrothiophen-3-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide" "Not in list" "C16H20F3N3O3S" "OC2(SC(=O)C=C2NC(=O)c1cn(C)nc1C(F)(F)F)C(C)CC(C)C" "InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Penthiopyrad" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Penthiopyrad" "" "183675-82-3" "single chemical entity" "Component is a metabolite of the substance" "1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide" "" "" "1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide" "Not in list" "C6H6F3N3O" "CN1C=C(C(=N1)C(F)(F)F)C(=O)N" "InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Penthiopyrad (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance penthiopyrad." "41320" "2013" "doi:10.2903/j.efsa.2013.3111"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-proficient" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "DNA-polymerase-A-deficient" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is identical to the substance" "Fosetyl-aluminium" "254-320-2" "39148-24-8" "Aluminum;ethoxy-oxido-oxophosphanium" "Fosetyl-aluminium" "C6H15AlO9P3+3" "CCO[P+](=O)[O-].CCO[P+](=O)[O-].CCO[P+](=O)[O-].[Al+3]" "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" "organometallic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "K12" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Fosetyl-aluminium" "254-320-2" "39148-24-8" "single chemical entity" "Component is a metabolite of the substance" "Phosphorous acid" "233-663-1" "10294-56-1" "Phosphorous acid" "Not in list" "H3O3P" "OP(O)O" "InChI=1S/H3O3P/c1-4(2)3/h1-3H" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Fosetyl-Al" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fosetyl" "38735" "2006" "doi:10.2903/j.efsa.2006.54r"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Potassium phosphite" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "intraveneous" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Potassium phosphite (Addendum 1)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Potassium phosphonates" "" "" "mixture or formulation" "Component is identical to the substance" "Potassium phosphonates" "" "" "tripotassium;phosphite" "Not in list" "K3O3P" "[O-]P([O-])[O-].[K+].[K+].[K+]" "InChI=1S/3K.O3P/c;;;1-4(2)3/q3*+1;-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "intraveneous" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Potassium phosphite (Addendum 1)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance potassium phosphonates" "41261" "2012" "doi:10.2903/j.efsa.2012.2963"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S138" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S138" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S211α" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "yeast cytogenetic assay" "in vitro" "Equivalent or similar to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S211α" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Testis cell" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No data" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "6" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "Equivalent or similar to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No data" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "oral: unspecified" "" "" "yes" "not applicable" "Positive" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "20" "Male" "intraperitoneal" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Oxydemeton-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Oxydemeton-methyl" "206-110-7" "301-12-2" "single chemical entity" "Component is identical to the substance" "Oxydemeton-methyl" "206-110-7" "301-12-2" "1-Dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" "Oxydemeton-methyl" "C6H15O4PS2" "CCS(=O)CCSP(=O)(OC)OC" "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Oxydemeton-methyl (Final Addendum to the DAR)" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance oxydemeton-methyl" "38926" "2006" "doi:10.2903/j.efsa.2006.86r"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male" "oral: gavage" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "42" "Male/Female" "oral: gavage" "51" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "42" "Male/Female" "oral: gavage" "27" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "42" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is identical to the substance" "Myclobutanil" "" "88671-89-0" "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" "Myclobutanil" "C15H17ClN4" "Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N" "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "" "25" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Tetraconazole" "407-760-6" "112281-77-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Tetraconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Tetraconazole" "39737" "2008" "doi:10.2903/j.efsa.2008.152r"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Difenoconazole" "601-613-1" "119446-68-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden" "Difenoconazole" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance difenoconazole" "40550" "2011" "doi:10.2903/j.efsa.2011.1967"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Bitertanol" "259-513-5" "55179-31-2" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Bitertanol" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance bitertanol" "40476" "2010" "doi:10.2903/j.efsa.2010.1850"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Myclobutanil" "" "88671-89-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "" "" "3-(4-chlorophenyl)-3-cyano-4-(1H-1,2,4-triazol-1-yl)butanoic acid" "Not in list" "C13H11ClN4O2" "Clc1ccc(cc1)C(CC(=O)O)(Cn2cncn2)C#N" "InChI=1S/C13H11ClN4O2/c14-11-3-1-10(2-4-11)13(6-15,5-12(19)20)7-18-9-16-8-17-18/h1-4,8-9H,5,7H2,(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "48" "h" "yes, historical" "not applicable" "Negative" "" "no evidence" "RMS: Belgium" "Myclobutanil (Revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance myclobutanil1" "40480" "2010" "doi:10.2903/j.efsa.2010.1682"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "small colonies" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "large colonies" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "large colonies" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "small colonies" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)ethanediamide" "Not in list" "C14H16N4O2" "O=C(N(Cn1cccn1)c2c(C)cccc2C)C(N)=O" "InChI=1S/C14H16N4O2/c1-10-5-3-6-11(2)12(10)18(14(20)13(15)19)9-17-8-4-7-16-17/h3-8H,9H2,1-2H3,(H2,15,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonic acid" "" "" "2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid" "Not in list" "C14H17N3O4S" "O=C(CS(=O)(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "sodium N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfonate" "" "" "sodium 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonate" "Not in list" "C14H16N3NaO4S" "O=C(CS(=O)(=O)O[Na])N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H17N3O4S.Na/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21;/h3-8H,9-10H2,1-2H3,(H,19,20,21);/q;+1/p-1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is identical to the substance" "Metazachlor" "266-583-0" "67129-08-2" "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Metazachlor" "C14H16ClN3O" "O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl acetic acid" "" "" "({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)acetic acid" "Not in list" "C16H19N3O4S" "O=C(CS(=O)CC(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C16H19N3O4S/c1-12-5-3-6-13(2)16(12)19(11-18-8-4-7-17-18)14(20)9-24(23)10-15(21)22/h3-8H,9-11H2,1-2H3,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "methyl N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfoxide" "" "" "N-(2,6-dimethylphenyl)-2-(methylsulfinyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" "Not in list" "C15H19N3O2S" "O=C(CS(C)=O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C15H19N3O2S/c1-12-6-4-7-13(2)15(12)18(14(19)10-21(3)20)11-17-9-5-8-16-17/h4-9H,10-11H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "N-[(2-hydroxycarbonyl-6-methyl)phenyl]-N-(1H-pyrazol-1-ylmethyl)oxalamide" "" "" "2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid" "Not in list" "C14H13N3O5" "O=C(N(Cn1cccn1)c2c(C)cccc2C(=O)O)C(=O)O" "InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Metazachlor" "266-583-0" "67129-08-2" "single chemical entity" "Component is a metabolite of the substance" "3-[N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)aminocarbonylmethylsulfinyl]-2-hydroxypropanoic acid" "" "" "3-({2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethyl}sulfinyl)-2-hydroxypropanoic acid" "Not in list" "C17H21N3O5S" "O=C(CS(=O)CC(O)C(=O)O)N(Cn1cccn1)c2c(C)cccc2C" "InChI=1S/C17H21N3O5S/c1-12-5-3-6-13(2)16(12)20(11-19-8-4-7-18-19)15(22)10-26(25)9-14(21)17(23)24/h3-8,14,21H,9-11H2,1-2H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Metazachlor (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metazachlor" "39658" "2008" "doi:10.2903/j.efsa.2008.145r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Penconazole" "266-275-6" "66246-88-6" "single chemical entity" "Component is identical to the substance" "Penconazole" "266-275-6" "66246-88-6" "1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole" "Penconazole" "C13H15Cl2N3" "ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1" "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Penconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance penconazole" "39751" "2008" "doi:10.2903/j.efsa.2008.175r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "13" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Metconazole (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Metconazole" "" "125116-23-6" "single chemical entity" "Component is identical to the substance" "Metconazole" "" "125116-23-6" "5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol" "Metconazole (sum of isomers)" "C17H22ClN3O" "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Metconazole (Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance metconazole." "38770" "2006" "doi:10.2903/j.efsa.2006.64r"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "5" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "4-methylsulfonyl-2-nitro benzoic acid" "" "" "4-(methylsulfonyl)-2-nitrobenzoic acid" "Not in list" "C8H7NO6S" "O=S(C)(=O)c1cc(c(cc1)C(=O)O)N(=O)=O" "InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: gavage" "28" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is a metabolite of the substance" "2-amino-4-methylsulfonyl benzoic acid" "" "" "2-amino-4-(methylsulfonyl)benzoic acid" "Not in list" "C8H9NO4S" "O=S(C)(=O)c1cc(N)c(cc1)C(=O)O" "InChI=1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "3" "Male" "oral: gavage" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "Hep G2 human cell line" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is identical to the substance" "Metam-sodium" "205-293-0" "137-42-8" "Sodium;N-methylcarbamodithioate" "Not in list" "C2H4NNaS2" "CNC(=S)[S-].[Na+]" "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isothiocyanate" "209-132-5" "556-61-6" "Methylimino(sulfanylidene)methane" "Methyl-Isothiocyanate" "C2H3NS" "CN=C=S" "InChI=1S/C2H3NS/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "inhalation: unspecified" "8" "min" "no data" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "" "" "Not reported" "" "" "no" "no data" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male" "inhalation: unspecified" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "inhalation: aerosol" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male" "inhalation: unspecified" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no" "no data" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male/Female" "inhalation: unspecified" "4" "D" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male" "inhalation: unspecified" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male/Female" "inhalation: unspecified" "4" "D" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "other" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "Male/Female" "inhalation: unspecified" "4" "D" "yes" "not applicable" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Metam-sodium" "205-293-0" "137-42-8" "single chemical entity" "Component is a metabolite of the substance" "Methyl isocyanate" "210-866-3" "624-83-9" "methylimino(oxo)methane" "Not in list" "C2H3NO" "CN=C=O" "InChI=1S/C2H3NO/c1-3-2-4/h1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium" "Metam-sodium (Updated DAR Re-submission)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metam" "40798" "2011" "doi:10.2903/j.efsa.2011.2334"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "oral: gavage" "27" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is identical to the substance" "Napropamide" "239-333-3" "15299-99-7" "N,N-diethyl-2-(1-naphthyloxy)propanamide" "Napropamide" "C17H21NO2" "CCN(CC)C(=O)C(C)Oc2cccc1ccccc12" "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-(naphthalen-1-yloxy)propanoic acid" "" "" "2-naphthalen-1-yloxypropanoic acid" "Not in list" "C13H12O3" "CC(C(=O)O)OC1=CC=CC2=CC=CC=C21" "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide (Addendum 2)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "Phthalic acid" "201-873-2" "88-99-3" "phthalic acid" "Not in list" "C8H6O4" "C1=CC=C(C(=C1)C(=O)O)C(=O)O" "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No data" "Acceptable" "House mouse (as animal)" "Swiss" "20" "Male" "intraperitoneal" "5" "D" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "mouse spot test" "in vivo" "According to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "26" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "10" "Male" "oral: feed" "10" "D" "yes" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "" "10" "Male" "oral: feed" "10" "D" "yes" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "complex product: derived from botanical sources" "Component is identical to the substance" "Orange oil" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "d-limonene" "227-813-5" "5989-27-5" "(4R)-1-methyl-4-(1-methylethenyl)cyclohexene" "Not in list" "C10H16" "CC(=C)[C@@H]1CCC(=CC1)C" "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" "organic" "compound" "DSSTox" "DSSTox" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "Linalool" "201-134-4" "78-70-6" "3,7-dimethylocta-1,6-dien-3-ol" "linalool" "C10H18O" "CC(=CCCC(C)(C=C)O)C" "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "β-myrcene" "204-622-5" "123-35-3" "7-methyl-3-methylideneocta-1,6-diene" "myrcene" "C10H16" "CC(=CCCC(=C)C=C)C" "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "β-myrcene" "204-622-5" "123-35-3" "7-methyl-3-methylideneocta-1,6-diene" "myrcene" "C10H16" "CC(=CCCC(=C)C=C)C" "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "β-myrcene" "204-622-5" "123-35-3" "7-methyl-3-methylideneocta-1,6-diene" "myrcene" "C10H16" "CC(=CCCC(=C)C=C)C" "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "β-myrcene" "204-622-5" "123-35-3" "7-methyl-3-methylideneocta-1,6-diene" "myrcene" "C10H16" "CC(=CCCC(=C)C=C)C" "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "8" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Orange oil" "" "" "single chemical entity" "Component is part of a group assessment" "β-myrcene" "204-622-5" "123-35-3" "7-methyl-3-methylideneocta-1,6-diene" "myrcene" "C10H16" "CC(=CCCC(=C)C=C)C" "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "8" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Orange oil" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orange oil" "41316" "2013" "doi:10.2903/j.efsa.2013.3090"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male/Female" "oral: unspecified" "28" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "5" "Male" "oral: unspecified" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Not reported" "5" "Male" "oral: unspecified" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxynaphthalene-1,4-dione" "201-496-3" "83-72-7" "4-hydroxynaphthalene-1,2-dione" "Not in list" "C10H6O3" "C1=CC=C2C(=C1)C(=CC(=O)C2=O)O" "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "Equivalent or similar to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "oral: gavage" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "18" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "18" "Male" "oral: gavage" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "4" "No data" "oral: unspecified" "3" "D" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "12" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "Male" "oral: gavage" "32" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "Male" "oral: gavage" "18" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "" "No data" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "No data" "oral: gavage" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "No data" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Balb/c" "" "No data" "oral: gavage" "30" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "2" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "20" "Male" "oral: unspecified" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "Male" "Not reported" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "Balb/c" "" "Male" "oral: gavage" "" "" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "NMRI" "15" "Male" "oral: gavage" "5" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "15" "Male" "oral: unspecified" "3" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "30" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "CM891" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)-3-methylurea" "" "" "1-methyl-3-(4-propan-2-ylphenyl)urea" "Not in list" "C11H16N2O" "O=C(Nc1ccc(cc1)C(C)C)NC" "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "40" "Male/Female" "oral: unspecified" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "no information" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "4-methoxy-6-methyl-1,3,5-triazine-2-amine" "216-790-7" "1668-54-8" "4-methoxy-6-methyl-1,3,5-triazin-2-amine" "Not in list" "C5H8N4O" "CC1=NC(=NC(=N1)OC)N" "InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Chinese" "48" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-(carbamoylsulfamoyl)benzoate" "" "" "methyl 2-(carbamoylsulfamoyl)benzoate" "Not in list" "C9H10N2O5S" "O=S(=O)(NC(N)=O)c1ccccc1C(=O)OC" "InChI=1S/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoylbenzoate" "" "" "methyl 2-sulfamoylbenzoate" "Not in list" "C8H9NO4S" "COC(=O)C1=CC=CC=C1S(=O)(=O)N" "InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "4" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is identical to the substance" "Nicosulfuron" "" "111991-09-4" "2-[(4,6-Dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Nicosulfuron" "C15H18N6O6S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "4" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C8H11N3O3S" "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-Amino-4,6-dimethoxypyrimidine" "252-969-6" "36315-01-2" "4,6-Dimethoxypyrimidin-2-amine" "Not in list" "C6H9N3O2" "COC1=CC(=NC(=N1)N)OC" "InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamimidoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H14N6O4S" "O=S(=O)(NC(=O)NC(=N)N)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-[(Carbamoylcarbamoyl)sulfamoyl]-N,Ndimethylpyridine-3-carboxamide" "" "" "2-[(carbamoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C10H13N5O5S" "O=S(=O)(NC(=O)NC(N)=O)c1ncccc1C(=O)N(C)C" "InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)" "metal" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "" "" "N-methyl-2-sulfamoylpyridine-3-carboxamide" "Not in list" "C7H9N3O3S" "CNC(=O)C1=C(N=CC=C1)S(=O)(=O)N" "InChI=1S/C7H9N3O3S/c1-9-6(11)5-3-2-4-10-7(5)14(8,12)13/h2-4H,1H3,(H,9,11)(H2,8,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "mixture or formulation" "Component is part of a group assessment" "Nicosulfuron leachate (lysimeter product)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Nicosulfuron" "" "111991-09-4" "single chemical entity" "Component is a metabolite of the substance" "2-{[(4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,Ndimethylpyridine-3-carboxamide" "" "" "2-{[(4-hydroxy-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" "Not in list" "C14H16N6O6S" "O=S(=O)(NC(=O)Nc1nc(O)cc(OC)n1)c2ncccc2C(=O)N(C)C" "InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Nicosulfuron (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance nicosulfuron" "39476" "2008" "doi:10.2903/j.efsa.2008.120r"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2-[((RS)-1-Carboxy-ethyl)-(2-methoxy-acetyl)-amino]-3-methyl-benzoic acid" "" "" "2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methylbenzoic acid" "Not in list" "C14H17NO6" "CC(N(C(=O)COC)c1c(C)cccc1C(=O)O)C(=O)O" "InChI=1S/C14H17NO6/c1-8-5-4-6-10(14(19)20)12(8)15(9(2)13(17)18)11(16)7-21-3/h4-6,9H,7H2,1-3H3,(H,17,18)(H,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(RS)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "N-(2,6-Dimethyl-phenyl)-2-methoxy-acetamide" "" "" "N-(2,6-dimethylphenyl)-2-methoxyacetamide" "Not in list" "C11H15NO2" "O=C(Nc1c(C)cccc1C)COC" "InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "Drosophila SLRL test" "in vivo" "Equivalent or similar to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No data" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "Not reported" "3" "D" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Imazalil" "252-615-0" "35554-44-0" "single chemical entity" "Component is identical to the substance" "Imazalil" "252-615-0" "35554-44-0" "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" "Imazalil" "C14H14Cl2N2O" "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: The Netherlands - CoRMS: Spain" "Imazalil" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance imazalil" "40256" "2010" "doi:10.2903/j.efsa.2010.1526"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-hydroxy-terbuthylazine" "" "" "4-amino-6-(tert-butylamino)-1,3,5-triazin-2-ol" "Desethyl-hydroxy-terbuthylazine" "C7H13N5O" "Nc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Hydroxy-terbuthylazine" "" "" "4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-ol" "Not in list" "C9H17N5O" "Oc1nc(NCC)nc(NC(C)(C)C)n1" "InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4,6-diamino-s-triazin" "222-260-6" "3397-62-4" "6-Chloro-1,3,5-triazine-2,4-diamine" "Atrazine, Desethyl-Desisopropyl-" "C3H4ClN5" "C1(=NC(=NC(=N1)Cl)N)N" "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "16" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is identical to the substance" "Terbuthylazine" "227-637-9" "5915-41-3" "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" "Terbuthylazine" "C9H16ClN5" "CCNc1nc(Cl)nc(NC(C)(C)C)n1" "InChI=1/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "10" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "6" "Male" "Not reported" "2" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "Desethyl-terbuthylazine" "" "30125-63-4" "2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" "Terbuthylazine, Desethyl-" "C7H12ClN5" "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Alpk:APf SD Rat" "6" "Male" "Not reported" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "" "" "2,6-dihydroxy-7,7-dimethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one" "Not in list" "C7H10N4O3" "O=C1N=C(O)N=C2NC(C)(C)C(O)N12" "InChI=1S/C7H10N4O3/c1-7(2)3(12)11-4(10-7)8-5(13)9-6(11)14/h3,12H,1-2H3,(H2,8,9,10,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "" "" "6-(tert-butylamino)-1,3,5-triazine-2,4-diol" "Not in list" "C7H12N4O2" "Oc1nc(NC(C)(C)C)nc(O)n1" "InChI=1S/C7H12N4O2/c1-7(2,3)11-4-8-5(12)10-6(13)9-4/h1-3H3,(H3,8,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Terbuthylazine" "227-637-9" "5915-41-3" "single chemical entity" "Component is a metabolite of the substance" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "" "" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one" "C8H14N4O2" "O=C1N=C(NC(C)(C)C)N=C(O)N1C" "InChI=1S/C8H14N4O2/c1-8(2,3)11-5-9-6(13)12(4)7(14)10-5/h1-4H3,(H2,9,10,11,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Terbuthylazine (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance terbuthylazine" "40553" "2011" "doi:10.2903/j.efsa.2011.1969"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Lenacil" "218-499-0" "2164-08-1" "single chemical entity" "Component is identical to the substance" "Lenacil" "218-499-0" "2164-08-1" "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" "Lenacil" "C13H18N2O2" "O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3" "InChI=1/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Belgium" "Lenacil" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance lenacil" "40093" "2009" "doi:10.2903/j.efsa.2009.1326"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Salmonella typhimurium (as organism)" "" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Other" "" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate" "" "1634-78-2" "Diethyl 2-dimethoxyphosphorylsulfanylbutanedioate" "Malaoxon" "C10H19O7PS" "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate" "" "1634-78-2" "Diethyl 2-dimethoxyphosphorylsulfanylbutanedioate" "Malaoxon" "C10H19O7PS" "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent no treatment" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is identical to the substance" "Malathion" "204-497-7" "121-75-5" "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate" "Malathion" "C10H19O6PS2" "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC" "InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" "organic" "compound" "Other" "Other" "" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "" "" "No data" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Finland" "Malathion (Addendum 1)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]-4-ethoxy-4-oxobutanoic acid" "" "1190-29-0" "2-Dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid" "Not in list" "C8H15O6PS2" "CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC" "InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "(2RS)- 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioic acid" "" "" "2-dimethoxyphosphinothioylsulfanylbutanedioic acid" "Not in list" "C6H11O6PS2" "COP(=S)(OC)SC(CC(=O)O)C(=O)O" "InChI=1S/C6H11O6PS2/c1-11-13(14,12-2)15-4(6(9)10)3-5(7)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Malathion" "204-497-7" "121-75-5" "single chemical entity" "Component is a metabolite of the substance" "Diethyl (2RS)-2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "" "" "diethyl 2-{[hydroxy(methoxy)phosphorothioyl]sulfanyl}butanedioate" "Not in list" "C9H17O6PS2" "CCOC(=O)CC(SP(=S)(O)OC)C(=O)OCC" "InChI=1S/C9H17O6PS2/c1-4-14-8(10)6-7(9(11)15-5-2)18-16(12,17)13-3/h7H,4-6H2,1-3H3,(H,12,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Malathion (Report and Proposed Decision of the United Kingdom made to the European Commission under Article 8 of 91/414/EEC Summary, Scientific Evaluation and Assessment)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance malathion" "40022" "2009" "doi:10.2903/j.efsa.2009.333r"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "no information" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No data" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Positive" "no information" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No data" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No data" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Other" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "2,6-dimethylaniline" "201-758-7" "87-62-7" "2,6-dimethylaniline" "Not in list" "C8H11N" "CC1=C(C(=CC=C1)C)N" "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methylurea" "" "" "1-(4-bromophenyl)-3-methylurea" "Not in list" "C8H9BrN2O" "Brc1ccc(NC(=O)NC)cc1" "InChI=1/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)urea" "" "" "1-(4-bromophenyl)urea" "Not in list" "C7H7BrN2O" "Brc1ccc(NC(N)=O)cc1" "InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metobromuron" "221-301-5" "3060-89-7" "single chemical entity" "Component is a metabolite of the substance" "1-(4-bromophenyl)-3-methoxyurea" "" "" "1-(4-bromophenyl)-3-methoxyurea" "Not in list" "C8H9BrN2O2" "Brc1ccc(NC(=O)NOC)cc1" "InChI=1/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Metobromuron" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metobromuron." "41674" "2014" "doi:10.2903/j.efsa.2014.3541"
+"Metsulfuron-methyl" "616-063-8" "74223-64-6" "single chemical entity" "Component is identical to the substance" "Metsulfuron-methyl" "616-063-8" "74223-64-6" "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate" "Metsulfuron-methyl" "C14H15N5O6S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Slovenia - CoRMS: Sweden" "Metsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metsulfuron-methyl" "42033" "2015" "doi:10.2903/j.efsa.2015.3936"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Napropamide" "239-333-3" "15299-99-7" "single chemical entity" "Component is a metabolite of the substance" "naphthalen-1-ol" "201-969-4" "90-15-3" "naphthalen-1-ol" "Naphthol, 1-" "C10H8O" "C1=CC=C2C(=C1)C=CC=C2O" "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Napropamide (Addendum 1)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance napropamide" "40283" "2010" "doi:10.2903/j.efsa.2010.1565"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is identical to the substance" "Orthosulfamuron" "" "213464-77-8" "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)phenylsulfamoyl]urea" "Orthosulfamuron" "C16H20N6O6S" "CN(C)C(=O)C1=CC=CC=C1NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Orthosulfamuron" "" "213464-77-8" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)urea" "Not in list" "C6H8N4O3" "O=C(N)Nc1nc(O)cc(OC)n1" "InChI=1S/C6H8N4O3/c1-13-4-2-3(11)8-6(9-4)10-5(7)12/h2H,1H3,(H4,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Italy" "Orthosulfamuron (Final Addendum to the DAR)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance orthosulfamuron" "41711" "2014" "doi:10.2903/j.efsa.2014.3353"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Pyroxsulam" "" "422556-08-9" "single chemical entity" "Component is identical to the substance" "Pyroxsulam" "" "422556-08-9" "N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-alpha]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide" "Pyroxsulam" "C14H13F3N6O5S" "COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC" "InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No data" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Pyroxsulam" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance pyroxsulam." "41394" "2013" "doi:10.2903/j.efsa.2013.3182"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "3" "No data" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is identical to the substance" "Isoproturon" "251-835-4" "34123-59-6" "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" "Isoproturon" "C12H18N2O" "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-{4-[(2RS-1-hydroxypropan-2-yl]phenyl}-1,1-dimethylurea" "" "" "3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)CO)N(C)C" "InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)" "organic" "compound" "Other" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "3-[4-(2-hydroxy-2-propanyl)phenyl]-1,1-dimethylurea" "" "" "3-[4-(2-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea" "Not in list" "C12H18N2O2" "O=C(Nc1ccc(cc1)C(C)(C)O)N(C)C" "InChI=1S/C12H18N2O2/c1-12(2,16)9-5-7-10(8-6-9)13-11(15)14(3)4/h5-8,16H,1-4H3,(H,13,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "1-(4-isopropylphenyl)urea" "" "" "(4-propan-2-ylphenyl)urea" "Not in list" "C10H14N2O" "O=C(N)Nc1ccc(cc1)C(C)C" "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" "organic" "compound" "Other" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Isoproturon" "251-835-4" "34123-59-6" "single chemical entity" "Component is a metabolite of the substance" "(2RS)-2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "" "" "2-{4-[(dimethylcarbamoyl)amino]phenyl}propanoic acid" "Not in list" "C12H16N2O3" "O=C(Nc1ccc(cc1)C(C)C(=O)O)N(C)C" "InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Czech Republic" "Isoproturon (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance isoproturon" "42236" "2015" "doi:10.2903/j.efsa.2015.4206"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Mesotrione" "600-533-4" "104206-82-8" "single chemical entity" "Component is identical to the substance" "Mesotrione" "600-533-4" "104206-82-8" "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione" "Mesotrione" "C14H13NO7S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom - CoRMS: Belgium" "Mesotrione (ZA1296)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance mesotrione" "42436" "2016" "doi:10.2903/j.efsa.2016.4419"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is identical to the substance" "Metalaxyl-M" "615-135-6" "70630-17-0" "methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate" "Metalaxyl-M" "C15H21NO4" "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(R)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "(2R)-2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Metalaxyl-M" "615-135-6" "70630-17-0" "single chemical entity" "Component is a metabolite of the substance" "(R)-2-[(2,6-Dimethyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid" "" "" "(2R)-2-[(2,6-dimethylphenyl)(methoxyacetyl)amino]propanoic acid" "Not in list" "C14H19NO4" "C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)O" "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium - CoRMS: Greece" "Metalaxyl-M" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance metalaxyl-M" "42066" "2015" "doi:10.2903/j.efsa.2015.3999"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: unspecified" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is identical to the substance" "Ethephon" "240-718-3" "16672-87-0" "(2-chloroethyl)phosphonic acid" "Ethephon" "C2H6ClO3P" "ClCCP(O)(=O)O" "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: unspecified" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"Ethephon" "240-718-3" "16672-87-0" "single chemical entity" "Component is a metabolite of the substance" "2-hydroxyethylphosphonic acid" "245-370-6" "22987-21-9" "2-hydroxyethylphosphonic acid" "2-Hydroxyethylphosphonic acid" "C2H7O4P" "C(CP(=O)(O)O)O" "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Ethephon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance ethephon" "39828" "2009" "doi:10.2903/j.efsa.2009.174r"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"S-abscisic acid" "244-319-5" "21293-29-8" "single chemical entity" "Component is identical to the substance" "S-abscisic acid" "244-319-5" "21293-29-8" "(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid" "Not in list" "C15H20O4" "CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C" "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "S-abscisic acid" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance S-abscisic acid." "41515" "2013" "doi:10.2903/j.efsa.2013.3341"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA1530" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "oral: feed" "5" "D" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA92" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA94" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sodium hypochlorite" "231-668-3" "7681-52-9" "single chemical entity" "Component is identical to the substance" "Sodium hypochlorite" "231-668-3" "7681-52-9" "Sodium;hypochlorite" "Not in list" "ClNaO" "[O-]Cl.[Na+]" "InChI=1S/ClO.Na/c1-2;/q-1;+1" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: The Netherlands" "Sodium hypochlorite" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium hypochlorite" "41092" "2012" "doi:10.2903/j.efsa.2012.2796"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Positive" "no information" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "inhalation: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "inhalation: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulfuryl fluoride" "220-281-5" "2699-79-8" "single chemical entity" "Component is identical to the substance" "Sulfuryl fluoride" "220-281-5" "2699-79-8" "Sulfuryl difluoride" "Sulfuryl fluoride" "F2O2S" "O=S(=O)(F)F" "InChI=1S/F2O2S/c1-5(2,3)4" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "inhalation: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Sulfuryl Fluoride" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfuryl fluoride" "40192" "2010" "doi:10.2903/j.efsa.2010.1441"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male" "oral: gavage" "72" "h" "yes" "not applicable" "Positive" "" "direct evidence-cytotoxicity" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "Not reported" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is identical to the substance" "Sulcotrione" "" "99105-77-8" "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" "Sulcotrione" "C14H13ClO5S" "O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O" "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "Not reported" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulcotrione" "" "99105-77-8" "single chemical entity" "Component is a metabolite of the substance" "2-Chloro-4-(methylsulfonyl)-benzoic acid" "406-520-8" "53250-83-2" "2-Chloro-4-methylsulfonylbenzoic acid" "Not in list" "C8H7ClO4S" "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl" "InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Sulcotrione" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance Sulcotrione" "39737" "2008" "doi:10.2903/j.efsa.2008.150r"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, historical" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, historical" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is identical to the substance" "Sulfosulfuron" "" "141776-32-1" "1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-ylsulfonyl)urea" "Sulfosulfuron" "C16H18N6O7S2" "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, historical" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamimidoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H14N6O5S2" "NC(=N)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Sulfosulfuron" "" "141776-32-1" "single chemical entity" "Component is a metabolite of the substance" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "" "" "N-(carbamoylcarbamoyl)-2-(ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide" "Not in list" "C11H13N5O6S2" "NC(=O)NC(=O)NS(=O)(=O)c1c(nc2ccccn12)S(=O)(=O)CC" "InChI=1/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden - CoRMS: Ireland" "Sulfosulfuron (Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfosulfuron" "41834" "2014" "doi:10.2903/j.efsa.2014.3764"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebuconazole" "403-640-2" "107534-96-3" "single chemical entity" "Component is identical to the substance" "Tebuconazole" "403-640-2" "107534-96-3" "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" "Tebuconazole" "C16H22ClN3O" "OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1" "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: gavage" "" "" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Tebuconazole" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebuconazole." "41642" "2014" "doi:10.2903/j.efsa.2014.3485"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is identical to the substance" "Tebufenpyrad" "" "119168-77-3" "N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Tebufenpyrad" "C18H24ClN3O" "O=C(NCC2=CC=C(C(C)(C)C)C=C2)C1=C(Cl)C(CC)=NN1C" "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "" "" "2-(4-{[(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)-2-methylpropanoic acid" "Not in list" "C17H20ClN3O3" "Clc2c(CC)nn(C)c2C(=O)Nc1ccc(cc1)C(C)(C)C(O)=O" "InChI=1/C17H20ClN3O3/c1-5-12-13(18)14(21(4)20-12)15(22)19-11-8-6-10(7-9-11)17(2,3)16(23)24/h6-9H,5H2,1-4H3,(H,19,22)(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Tebufenpyrad" "" "119168-77-3" "single chemical entity" "Component is a metabolite of the substance" "4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide" "" "" "4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide" "Not in list" "C7H10ClN3O" "Clc1c(CC)nn(C)c1C(=O)N" "InChI=1/C7H10ClN3O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3,(H2,9,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenpyrad" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tebufenpyrad" "39902" "2009" "doi:10.2903/j.efsa.2009.192r"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Spain" "Thiabendazole (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "3" "Male" "oral: gavage" "4" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "3" "Male" "oral: gavage" "14" "h" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "8" "Male/Female" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Fischer344" "15" "Male" "oral: feed" "56" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "SOS/umu test" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "PQ37" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "no data" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "intraperitoneal" "12" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Positive" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "12" "Male/Female" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Thymol" "201-944-8" "89-83-8" "single chemical entity" "Component is identical to the substance" "Thymol" "201-944-8" "89-83-8" "5-Methyl-2-propan-2-ylphenol" "Thymol" "C10H14O" "CC1=CC(=C(C=C1)C(C)C)O" "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "12" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Thymol" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thymol" "41218" "2012" "doi:10.2903/j.efsa.2012.2916"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Tolclofos-methyl" "260-515-3" "57018-04-9" "single chemical entity" "Component is identical to the substance" "Tolclofos-methyl" "260-515-3" "57018-04-9" "O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl thiophosphate" "Tolclofos-methyl" "C9H11Cl2O3PS" "S=P(OC)(OC)OC1=C(Cl)C=C(C)C=C1Cl" "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "intraperitoneal" "7" "week" "yes, historical" "not applicable" "Negative" "" "" "RMS: Sweden" "Tolclofos-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolclofos-methyl" "38582" "2005" "doi:10.2903/j.efsa.2005.32ar"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is identical to the substance" "Topramezone" "606-699-4" "210631-68-8" "4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one" "Topramezone (BAS 670H)" "C16H17N3O5S" "CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C" "InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Topramezone" "606-699-4" "210631-68-8" "single chemical entity" "Component is a metabolite of the substance" "3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "" "" "3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid" "Not in list" "C12H13NO5S" "CS(=O)(=O)c2ccc(c(C)c2C=1CCON=1)C(O)=O" "InChI=1/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Topramezone (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance topramezone" "41673" "2014" "doi:10.2903/j.efsa.2014.3540"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "Not reported" "6" "h" "yes" "not applicable" "Inconclusive" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: gavage" "48" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "42" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Triazoxide" "276-668-4" "72459-58-6" "single chemical entity" "Component is identical to the substance" "Triazoxide" "276-668-4" "72459-58-6" "7-chloro-3-(1H-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide" "Triazoxide" "C10H6ClN5O" "Clc1ccc2nc(n[n+]([O-])c2c1)n3ccnc3" "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triazoxide" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triazoxide" "40603" "2011" "doi:10.2903/j.efsa.2011.2018"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "Not reported" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "Not reported" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Tribenuron-methyl" "" "101200-48-0" "single chemical entity" "Component is identical to the substance" "Tribenuron-methyl" "" "101200-48-0" "methyl2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate" "Tribenuron-methyl" "C15-H17-N5-O6-S" "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "Not reported" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Sweden" "Tribenuron-methyl" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tribenuron" "38442" "2005" "doi:10.2903/j.efsa.2005.15r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Trichlorfon" "200-149-3" "52-68-6" "single chemical entity" "Component is identical to the substance" "Trichlorfon" "200-149-3" "52-68-6" "2,2,2-Trichloro-1-dimethoxyphosphorylethanol" "Trichlorfon" "C4H8Cl3O4P" "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: gavage" "48" "D" "yes" "not applicable" "Negative" "" "" "RMS: Spain" "Trichlorfon" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trichlorfon" "38883" "2006" "doi:10.2903/j.efsa.2006.76r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is part of a group assessment" "Triclopyr-butoxyethyl ester" "265-024-8" "64470-88-8" "2-Butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate" "Triclopyr-butoxyethyl ester" "C13H16Cl3NO4" "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is identical to the substance" "Triclopyr" "259-597-3" "55335-06-3" "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" "Triclopyr" "C7H4Cl3NO3" "O=C(O)COC1=C(Cl)C=C(Cl)C(Cl)=N1" "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "30" "Male" "oral: feed" "9" "week" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triclopyr" "259-597-3" "55335-06-3" "single chemical entity" "Component is a metabolite of the substance" "3,5,6-Trichloro-2-pyridinol" "229-405-2" "6515-38-4" "3,5,6-trichloro-1H-pyridin-2-one" "Not in list" "C5H2Cl3NO" "C1=C(C(=O)NC(=C1Cl)Cl)Cl" "InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Triclopyr" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triclopyr" "38736" "2006" "doi:10.2903/j.efsa.2006.56r"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "no data" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Triflumizole" "" "99387-89-0" "single chemical entity" "Component is identical to the substance" "Triflumizole" "" "99387-89-0" "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine" "Triflumizole" "C15H15ClF3N3O" "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Triflumizole" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumizole" "40161" "2009" "doi:10.2903/j.efsa.2009.1415"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Zeta-cypermethrin" "257-842-9" "52315-07-8" "single chemical entity" "Component is identical to the substance" "Zeta-Cypermethrin" "257-842-9" "52315-07-8" "(S)-alpha-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2 dimethylcyclopropanecarboxylate" "Zeta-Cypermethrin" "C22H19Cl2NO3" "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m1/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male/Female" "oral: gavage" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Belgium" "Zeta-cypermethrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance zeta-cypermethrin." "39828" "2009" "doi:10.2903/j.efsa.2009.196r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "16" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is identical to the substance" "Trinexapac-ethyl" "" "95266-40-3" "Ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate" "Trinexapac-Ethyl" "C13H16O5" "CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1" "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Tricarballylic acid" "202-733-3" "99-14-9" "1,2,3-propanetricarboxylic acid (tricarballylic acid)" "Not in list" "C6H8O6" "C(C(CC(=O)O)C(=O)O)C(=O)O" "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA313458)" "" "" "(2-(4-cyclopropyl-2,4-dioxobutyl)-succinic acid)" "Trinexapac-ethyl metabolite (CGA313458)" "C11H14O6" "O=C(CC(CC(O)=O)C(O)=O)\C=C(/O)C1CC1" "InChI=1/C11H14O6/c12-8(5-9(13)6-1-2-6)3-7(11(16)17)4-10(14)15/h5-7,13H,1-4H2,(H,14,15)(H,16,17)/b9-5-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Trinexapac-ethyl" "" "95266-40-3" "single chemical entity" "Component is a metabolite of the substance" "Trinexapac-ethyl metabolite (CGA329773)" "" "" "4-cyclopropanecarbonyl-3,5-dihydroxybenzoic acid
+oxo-butyl)-succinic acid" "Trinexapac-ethyl metabolite (CGA329773)" "C11H10O5" "O=C(c1c(O)cc(cc1O)C(=O)O)C2CC2" "InChI=1S/C11H10O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h3-5,12-13H,1-2H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The Netherlands" "Trinexapac-ethyl" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance trinexapac" "38727" "2006" "doi:10.2903/j.efsa.2006.57r"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is identical to the substance" "Triticonazole" "" "131983-72-7" "5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Triticonazole" "C17H20ClN3O" "OC1(CN2N=CN=C2)C(C)(C)CCC1=CC3=CC=C(Cl)C=C3" "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406341" "" "" "[(E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopen-tan-1,3-trans-diol]" "Not in list" "C18H22ClN3O2" "O[C@H](Cn1cncn1)C3\C(=C\c2ccc(Cl)cc2)[C@H](O)C[C@]3(C)C" "InChI=1/C18H22ClN3O2/c1-18(2)8-15(23)14(7-12-3-5-13(19)6-4-12)17(18)16(24)9-22-11-20-10-21-22/h3-7,10-11,15-17,23-24H,8-9H2,1-2H3/b14-7+/t15-,16-,17?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Triticonazole" "" "131983-72-7" "single chemical entity" "Component is a metabolite of the substance" "Triticonazole metabolite RPA406203" "" "" "(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol" "Not in list" "C17H20ClN3O" "Clc1ccc(cc1)\C=C3/CCC(C)(C)C3(O)Cn2cncn2" "InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Triticonazole" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triticonazole" "38582" "2005" "doi:10.2903/j.efsa.2005.33ar"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "11" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is identical to the substance" "Valiphenal" "" "283159-90-0" "Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)
+butanoyl]amino]propanoate" "Valifenalate" "C19H27ClN2O5" "CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C" "InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "11" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "" "" "(3RS)-3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoic acid" "Not in list" "C18H25ClN2O5" "Clc1ccc(cc1)C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)CC(O)=O" "InChI=1/C18H25ClN2O5/c1-10(2)16(21-18(25)26-11(3)4)17(24)20-14(9-15(22)23)12-5-7-13(19)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)/t14?,16-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Valiphenal" "" "283159-90-0" "single chemical entity" "Component is a metabolite of the substance" "4-Chlorobenzoic acid" "200-805-9" "74-11-3" "4-Chlorobenzoic acid" "Not in list" "C7H5ClO2" "C1=CC(=CC=C1C(=O)O)Cl" "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Hungary" "Valifenalate (Formerly Valiphenal) (Final Addendum)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance valifenalate." "41445" "2013" "doi:10.2903/j.efsa.2013.3253"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline required" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "not applicable" "Positive" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "3" "Female" "oral: gavage" "2" "D" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "Equivalent or similar to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "5" "Female" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "4" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Positive" "" "no evidence" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "Rat (as animal)" "Wistar" "15" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Greece" "Trifluralin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "30" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is a metabolite of the substance" "1-(-4’-chlorophenyl)-1,4-dihydro-5-(2’’-hydroxy-ethoxy)-4-oxo-cinnoline-3-carboxylate" "" "" "1-(4-chlorophenyl)-5-(2-hydroxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid" "Sintofen metabolite (SC 3095)" "C17H13ClN2O5" "OC(=O)C/2=N/N(c1ccc(Cl)cc1)c3cccc(OCCO)c3C\2=O" "InChI=1/C17H13ClN2O5/c18-10-4-6-11(7-5-10)20-12-2-1-3-13(25-9-8-21)14(12)16(22)15(19-20)17(23)24/h1-7,21H,8-9H2,(H,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "7" "Male" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is identical to the substance" "Triasulfuron" "617-298-9" "82097-50-5" "1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea" "Triasulfuron" "C14H16ClN5O5S" "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "7" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Triasulfuron" "617-298-9" "82097-50-5" "single chemical entity" "Component is a metabolite of the substance" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "" "" "[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamic acid" "Not in list" "C6H9N5O5S" "Cc1nc(NC(=O)NS(=O)(=O)O)nc(OC)n1" "InChI=1/C6H9N5O5S/c1-3-7-4(10-6(8-3)16-2)9-5(12)11-17(13,14)15/h1-2H3,(H,13,14,15)(H2,7,8,9,10,11,12)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Triasulfuron (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triasulfuron" "42013" "2015" "doi:10.2903/j.efsa.2015.3958"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Ambiguous" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "12" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is identical to the substance" "Tralkoxydim" "" "87820-88-0" "2-[1-(Ethoxyamino)propylidene]-5-(2,4,6-trimethylphenyl)cyclohexane-1,
+3-dione" "Tralkoxydim" "C20H27NO3" "CCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C)NOCC" "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is identical to the substance" "Rimsulfuron" "" "122931-48-0" "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" "Rimsulfuron" "C14H17N5O7S2" "O=S(C1=NC=CC=C1S(CC)(=O)=O)(NC(NC2=NC(OC)=CC(OC)=N2)=O)=O" "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "large colonies" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Sodium silver thiosulfate" "" "" "single chemical entity" "Component is identical to the substance" "Sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)" "" "" "" "Not in list" "" "" "" "inorganic" "no structure" "" "" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "6" "Male" "oral: gavage" "3" "month" "yes" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Silver thiosulphate" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sodium silver thiosulfate (in solution with a ratio of at least 1 to 8 silver to thiosulfate ions)." "41550" "2013" "doi:10.2903/j.efsa.2013.3136"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(3-(ethylsulfonyl)-2-pyridinesulfonamide" "" "" "3-(ethylsulfonyl)pyridine-2-sulfonamide" "Not in list" "C7H10N2O4S2" "O=S(N)(=O)c1ncccc1S(=O)(=O)CC" "InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Rimsulfuron (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Rimsulfuron" "" "122931-48-0" "single chemical entity" "Component is a metabolite of the substance" "(N-(4,6-dimethoxy-2-pyrimidinyl)-N-((3-ethylsulfonyl)-2-pyridinyl)urea)" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(ethylsulfonyl)pyridin-2-yl]urea" "Not in list" "C14H17N5O5S" "O=C(N)N(c1nc(cc(OC)n1)OC)c2ncccc2S(=O)(=O)CC" "InChI=1/C14H17N5O5S/c1-4-25(21,22)9-6-5-7-16-12(9)19(13(15)20)14-17-10(23-2)8-11(18-14)24-3/h5-8H,4H2,1-3H3,(H2,15,20)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Rimsulfuron (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer reviewof the pesticide risk assessment of the active substance rimsulfuron" "38595" "2005" "doi:10.2903/j.efsa.2005.45r"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "mixture or formulation" "Component is identical to the substance" "Spinetoram" "" "935545-74-7" "(3aR,5aR,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-a-L-mannopyranoside" "Spinetoram (XDE-175)" "C42H69NO10" "CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H](C2CC(=O)O1)CC[C@H]4[C@H]3CC(C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C" "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1" "organic" "representative compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-demethyl-175-J" "" "" "(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2S,5S,6R)-6-methyl-5-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranoside" "N-demethyl-175-J" "C41H67NO10" "CN[C@H]1CCC(O[C@@H]1C)O[C@H]6CCC[C@H](CC)OC(=O)C[C@@H]5C(=C/[C@@H]2[C@H]5CC[C@@H]3C[C@H](C[C@@H]23)O[C@@H]4O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]4OC)\C(=O)[C@@H]6C" "InChI=1/C41H67NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-6)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(46-8)39(47-10-2)38(45-7)24(5)49-41/h20,22-31,33-34,36,38-42H,9-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36-,38+,39-,40-,41+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-J" "" "" "N-[(2R,3S,6R)-6-({(2R,3aR,5aR,5bS,9S,14R,16aS,16bR)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,4,5,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-octadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C41H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3CC[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C41H65NO11/c1-8-26-11-10-12-34(53-36-16-15-33(42-21-43)23(4)49-36)22(3)37(45)32-19-30-28(31(32)20-35(44)51-26)14-13-25-17-27(18-29(25)30)52-41-40(47-7)39(48-9-2)38(46-6)24(5)50-41/h19,21-31,33-34,36,38-41H,8-18,20H2,1-7H3,(H,42,43)/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Spinetoram" "" "935545-74-7" "single chemical entity" "Component is a metabolite of the substance" "N-formyl-175-L" "" "" "N-[(2R,3S,6R)-6-({(2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-L-mannopyranosyl)oxy]-9-ethyl-4,14-dimethyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-13-yl}oxy)-2-methyloxan-3-yl]formamide" "Not in list" "C42H65NO11" "O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]5C[C@H](C[C@H]54)OC6O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C(=O)[C@@H]2C" "InChI=1S/C42H65NO11/c1-9-26-12-11-13-35(54-37-15-14-34(43-21-44)24(5)50-37)23(4)38(46)33-19-31-29(32(33)20-36(45)52-26)16-22(3)28-17-27(18-30(28)31)53-42-41(48-8)40(49-10-2)39(47-7)25(6)51-42/h16,19,21,23-32,34-35,37,39-42H,9-15,17-18,20H2,1-8H3,(H,43,44)/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42?/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "XDE-175 (spinetoram)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spinetoram." "41402" "2013" "doi:10.2903/j.efsa.2013.3220"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "SwissWebster" "130" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "SwissWebster" "130" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "SwissWebster" "130" "Male/Female" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "48" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Quinoclamine" "220-529-2" "2797-51-5" "single chemical entity" "Component is identical to the substance" "Quinoclamine" "220-529-2" "2797-51-5" "2-amino-3-chloro-1,4-naphthoquinone" "Quinoclamine" "C10H6ClNO2" "NC1=C(Cl)C(=O)c2ccccc2C1=O" "InChI=1/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "48" "Male" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Sweden" "Quinoclamine" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quinoclamine" "39428" "2007" "doi:10.2903/j.efsa.2007.117r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "House mouse (as animal)" "B6C3F1" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "6" "Male" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "6" "Male" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Syrian" "44" "Male/Female" "oral: feed" "7" "week" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No data" "Acceptable" "Hamster (as animal)" "Syrian" "44" "Male/Female" "oral: feed" "14" "week" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "6" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is identical to the substance" "Tri-allate" "218-962-7" "2303-17-5" "S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate" "Tri-allate" "C10H16Cl3NOS" "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" "InChI=1/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "6" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Tri-allate" "218-962-7" "2303-17-5" "single chemical entity" "Component is a metabolite of the substance" "2,3,3-trichloroprop-2-ene-sulfonic acid" "" "" "2,3,3-trichloroprop-2-ene-1-sulfonic acid" "Not in list" "C3H3Cl3O3S" "C(C(=C(Cl)Cl)Cl)S(=O)(=O)O" "InChI=1S/C3H3Cl3O3S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Tri-allate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tri-allate" "40010" "2009" "doi:10.2903/j.efsa.2009.181r"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "" "" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "Not in list" "C6H5NO6S2" "O=S(N)(=O)c1c(scc1C(=O)O)C(O)=O" "InChI=1/C6H5NO6S2/c7-15(12,13)4-2(5(8)9)1-14-3(4)6(10)11/h1H,(H,8,9)(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "" "" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "Not in list" "C6H5NO6S2" "O=S(N)(=O)c1c(scc1C(=O)O)C(O)=O" "InChI=1/C6H5NO6S2/c7-15(12,13)4-2(5(8)9)1-14-3(4)6(10)11/h1H,(H,8,9)(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is identical to the substance" "Thiencarbazone-methyl" "" "317815-83-1" "methyl 4-[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carboxamidosulfonyl]-5-methylthiophene-3-carboxylate" "Thiencarbazone-methyl" "C12H14N4O7S2" "CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "" "" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "Not in list" "C6H5NO6S2" "O=S(N)(=O)c1c(scc1C(=O)O)C(O)=O" "InChI=1/C6H5NO6S2/c7-15(12,13)4-2(5(8)9)1-14-3(4)6(10)11/h1H,(H,8,9)(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "" "" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "Not in list" "C6H5NO6S2" "O=S(N)(=O)c1c(scc1C(=O)O)C(O)=O" "InChI=1/C6H5NO6S2/c7-15(12,13)4-2(5(8)9)1-14-3(4)6(10)11/h1H,(H,8,9)(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "" "" "3-sulfamoylthiophene-2,4-dicarboxylic acid" "Not in list" "C6H5NO6S2" "O=S(N)(=O)c1c(scc1C(=O)O)C(O)=O" "InChI=1/C6H5NO6S2/c7-15(12,13)4-2(5(8)9)1-14-3(4)6(10)11/h1H,(H,8,9)(H,10,11)(H2,7,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "4-{[(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylic acid" "" "" "4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylic acid" "Not in list" "C11H12N4O7S2" "CC1=C(C(=CS1)C(=O)O)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C" "InChI=1S/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)17)24(20,21)13-9(18)15-11(19)14(2)10(12-15)22-3/h4H,1-3H3,(H,13,18)(H,16,17)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "" "" "methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate" "Not in list" "C7H9NO4S2" "O=S(N)(=O)c1c(C)scc1C(=O)OC" "InChI=1/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Thiencarbazone-methyl" "" "317815-83-1" "single chemical entity" "Component is a metabolite of the substance" "methyl 4-({[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]amino}sulfonyl)-5-methylthiophene-3-carboxylate" "" "" "methyl 4-{[(3-methoxy-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]sulfamoyl}-5-methylthiophene-3-carboxylate" "Not in list" "C11H12N4O7S2" "O=S(=O)(NC(=O)N1/N=C(/OC)NC1=O)c2c(C)scc2C(=O)OC" "InChI=1/C11H12N4O7S2/c1-5-7(6(4-23-5)8(16)21-2)24(19,20)14-11(18)15-10(17)12-9(13-15)22-3/h4H,1-3H3,(H,14,18)(H,12,13,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiencarbazone-methyl (BYH 18636)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiencarbazone-methyl" "41456" "2013" "doi:10.2903/j.efsa.2013.3270"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is identical to the substance" "Triflumuron" "264-980-3" "64628-44-0" "2-chloro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}benzamide" "Triflumuron" "C15H10ClF3N2O3" "O=C(C1=CC=CC=C1Cl)NC(NC(C=C2)=CC=C2OC(F)(F)F)=O" "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Triflumuron" "264-980-3" "64628-44-0" "single chemical entity" "Component is a metabolite of the substance" "4-Trifluoro-methoxyaniline" "207-317-5" "461-82-5" "4-(Trifluoromethoxy)aniline" "4-Trifluoro-methoxyaniline" "C7H6F3NO" "C1=CC(=CC=C1N)OC(F)(F)F" "InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Triflumuron (Addendum 2 )" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance triflumuron" "40546" "2011" "doi:10.2903/j.efsa.2011.1941"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Famoxadone" "603-520-1" "131807-57-3" "single chemical entity" "Component is identical to the substance" "Famoxadone" "603-520-1" "131807-57-3" "3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione" "Famoxadone" "C22H18N2O4" "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Famoxadone (Renewal Assessment Report)" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance famoxadone" "42201" "2015" "doi:10.2903/j.efsa.2015.4194"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-ethyl" "600-119-3" "100646-51-3" "Ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Quizalofop-P-ethyl" "C19H17ClN2O4" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "18" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Quizalofop-p-ethyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "large colonies" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "small colonies" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl (Final addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Quizalofop-p-tefuryl (Final addendum)" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "single chemical entity" "Component is identical to the substance" "Quizalofop-P-tefuryl" "601-628-3" "119738-06-6" "Oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" "Not in list" "C22H21ClN2O5" "CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl" "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Finland" "Quizalofop-p-tefuryl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance quizalofop-P (considered variants quizalofop-P-ethyl and quizalofop-P-tefuryl)." "40008" "2009" "doi:10.2903/j.efsa.2009.205r"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Foramsulfuron" "605-666-1" "173159-57-4" "single chemical entity" "Component is identical to the substance" "Foramsulfuron" "605-666-1
+ 605-666-1" "173159-57-4" "1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-dimethylaminocarbonyl-5-formamidophenylsulfonyl)urea" "Foramsulfuron" "C17H20N6O7S" "CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "8" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Foramsulfuron (revised Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance foramsulfuron" "42439" "2016" "doi:10.2903/j.efsa.2016.4421"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "no information" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is identical to the substance" "Tau-fluvalinate" "" "102851-06-9" "[cyano-(3-phenoxyphenyl)methyl](2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate" "tau-Fluvalinate" "C26H22ClF3N2O3" "CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-4-(trifluoromethyl)aniline" "" "" "2-chloro-4-(trifluoromethyl)aniline" "Not in list" "C7H5ClF3N" "c1cc(c(cc1C(F)(F)F)Cl)N" "InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "" "" "N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine" "Not in list" "C12H13ClF3NO2" "Clc1cc(ccc1NC(C(O)=O)C(C)C)C(F)(F)F" "InChI=1/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Tau-fluvalinate" "" "102851-06-9" "single chemical entity" "Component is a metabolite of the substance" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "" "" "3-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-4-methyl-2-(3-phenoxyphenyl)pentanenitrile" "Not in list" "C25H22ClF3N2O" "Clc3cc(ccc3NC(C(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F" "InChI=1/C25H22ClF3N2O/c1-16(2)24(31-23-12-11-18(14-22(23)26)25(27,28)29)21(15-30)17-7-6-10-20(13-17)32-19-8-4-3-5-9-19/h3-14,16,21,24,31H,1-2H3/t21?,24-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Tau-fluvalinate" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tau-fluvalinate" "40366" "2010" "doi:10.2903/j.efsa.2010.1645"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium 5-nitroguaiacolate" "" "67233-85-6" "single chemical entity" "Component is identical to the substance" "Sodium 5-nitroguaiacolate" "" "67233-85-6" "Sodium;2-methoxy-5-nitrophenolate" "Not in list" "C7H6NNaO4" "COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C7H7NO4.Na/c1-12-7-3-2-5(8(10)11)4-6(7)9;/h2-4,9H,1H3;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium o-nitrophenolate" "212-527-5" "824-39-5" "single chemical entity" "Component is identical to the substance" "Sodium o-nitrophenolate" "212-527-5" "824-39-5" "Sodium;2-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "small colonies" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Sodium p-nitrophenolate" "212-536-4" "824-78-2" "single chemical entity" "Component is identical to the substance" "Sodium p-nitrophenolate" "212-536-4" "824-78-2" "Sodium;4-nitrophenolate" "Not in list" "C6H4NNaO3" "C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+]" "InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Sodium 5-nitroguaiacolate Sodium o-nitrophenolate and Sodium p-nitrophenolate" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substances sodium 5-nitroguaiacolate, sodium o-nitrophenolate and sodium p-nitrophenolate." "39904" "2009" "doi:10.2903/j.efsa.2009.191r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Spirodiclofen" "" "148477-71-8" "single chemical entity" "Component is identical to the substance" "Spirodiclofen" "" "148477-71-8" "3-(3,5-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate" "Spirodiclofen" "C21H24Cl2O4" "O=C2OC1(C(OC(C(CC)(C)C)=O)=C2C3=CC(Cl)=CC(Cl)=C3)CCCCC1" "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "16" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The Netherlands" "Spirodiclofen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance spirodiclofen" "40031" "2009" "doi:10.2903/j.efsa.2009.339r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S211α" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S138" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S211α" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "S138" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Ambiguous" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "6" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "20" "Male/Female" "oral: unspecified" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Not reported" "8" "Male" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "oral: unspecified" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "15" "Male" "oral: unspecified" "48" "D" "no data" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "According to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "oral: gavage" "12" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mouse spot test" "in vivo" "According to" "OECD Guideline 484 (Genetic Toxicology: Mouse Spot Test)" "No" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "oral: gavage" "35" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: feed" "12" "D" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: feed" "12" "D" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vivo" "No guideline followed" "Not reported" "Not applicable" "Acceptable" "Rat (as animal)" "Wistar" "" "No data" "oral: feed" "12" "D" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST" "" "" "N'-[4-(hydroxymethyl)phenyl]-N,N-dimethylsulfamide" "Not in list" "C9H14N2O3S" "O=S(=O)(Nc1ccc(cc1)CO)N(C)C" "InChI=1/C9H14N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-6,10,12H,7H2,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "4-Hydroxymethyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[(4-(ß-D-glucopyranosyl)-methylphenyl]sulfamide" "Not in list" "C16H26N2O8S" "CN(C)S(=O)(=O)Nc2ccc(CO[C@H]1C[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O1)cc2" "InChI=1/C16H26N2O8S/c1-18(2)27(23,24)17-11-5-3-10(4-6-11)9-25-14-7-12(20)15(21)16(22)13(8-19)26-14/h3-6,12-17,19-22H,7-9H2,1-2H3/t12-,13+,14+,15-,16+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST-glucoside" "" "" "N,N-dimethyl-N´-[[2-(ß-D-glucopyranosyl)-4-methyl]phenyl]sulfamide" "Not in list" "C15H24N2O8S" "CN(C)S(=O)(=O)Nc2ccc(C)cc2OC1OC(CO)C(O)C(O)C1O" "InChI=1/C15H24N2O8S/c1-8-4-5-9(16-26(22,23)17(2)3)10(6-8)24-15-14(21)13(20)12(19)11(7-18)25-15/h4-6,11-16,18-21H,7H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is a metabolite of the substance" "2-Hydroxyphenyl-DMST" "" "" "N,N-dimethyl-N´-[(2-hydroxy-4-methyl)-phenyl]sulfamide" "Not in list" "C9H14N2O3S" "Oc1cc(C)ccc1NS(=O)(=O)N(C)C" "InChI=1/C9H14N2O3S/c1-7-4-5-8(9(12)6-7)10-15(13,14)11(2)3/h4-6,10,12H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Finland" "Tolylfluanid" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiromesifen" "" "283594-90-1" "single chemical entity" "Component is identical to the substance" "Spiromesifen" "" "283594-90-1" "2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate" "Spiromesifen" "C23H30O4" "O=C(CC(C)(C)C)OC1=C(C3=C(C)C=C(C)C=C3C)C(OC21CCCC2)=O" "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Spiromesifen" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiromesifen" "41194" "2012" "doi:10.2903/j.efsa.2012.2879"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is identical to the substance" "Spiroxamine" "" "118134-30-8" "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine" "Spiroxamine (sum of isomers)" "C18H35NO2" "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Spiroxamine" "" "118134-30-8" "single chemical entity" "Component is a metabolite of the substance" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "" "" "[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]ethyl(propyl)amine oxide" "Not in list" "C18H35NO3" "CC(C)(C)C1CCC2(CC1)OCC(C[N+]([O-])(CC)CCC)O2" "InChI=1/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Spiroxamine" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spiroxamine." "40473" "2010" "doi:10.2903/j.efsa.2010.1719"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male/Female" "intraperitoneal" "16" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Fenhexamid" "422-530-5" "126833-17-8" "single chemical entity" "Component is identical to the substance" "Fenhexamid" "422-530-5" "126833-17-8" "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" "Fenhexamid" "C14H17Cl2NO2" "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: The United Kingdom" "Fenhexamid (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenhexamid" "41827" "2014" "doi:10.2903/j.efsa.2014.3744"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "6" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: unspecified" "4" "h" "no" "not applicable" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is identical to the substance" "Spirotetramat" "" "203313-25-1" "[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]
+ethyl carbonate" "Not in list" "C21H27NO5" "CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C" "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: unspecified" "16" "h" "no" "not applicable" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3-hydroxy-8-methoxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C18H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(CC2)OC)NC3=O" "InChI=1/C18H23NO4/c1-11-4-5-12(2)14(10-11)18(22)15(20)17(19-16(18)21)8-6-13(23-3)7-9-17/h4-5,10,13,22H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "" "" "3-(2,5-dimethylphenyl)-3,8-dihydroxy-1-azaspiro[4.5]decane-2,4-dione" "Not in list" "C17H21NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)C2(CCC(O)CC2)NC3=O" "InChI=1/C17H21NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,19,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-3,4,8-trihydroxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C17H23NO4" "Cc1cc(c(C)cc1)C3(O)C(=O)NC2(CCC(O)CC2)C3O" "InChI=1/C17H23NO4/c1-10-3-4-11(2)13(9-10)17(22)14(20)16(18-15(17)21)7-5-12(19)6-8-16/h3-4,9,12,14,19-20,22H,5-8H2,1-2H3,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Spirotetramat" "" "203313-25-1" "single chemical entity" "Component is a metabolite of the substance" "(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "" "" "3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one" "Not in list" "C18H25NO3" "Cc3cc(C2C(=O)NC1(CCC(CC1)OC)C2O)c(C)cc3" "InChI=1/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Spirotetramat" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance spirotetramat." "41432" "2013" "doi:10.2903/j.efsa.2013.3243"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is identical to the substance" "Fluazinam" "" "79622-59-6" "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" "Fluazinam" "C13H4Cl2F6N4O4" "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "2-chloro-6-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-5-nitro-m-toluidine" "" "" "3-chloro-N1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine" "Not in list" "C13H6Cl2F6N4O2" "[O-][N+](=O)c2cc(c(Cl)c(N)c2Nc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F" "InChI=1/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Male" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fluazinam" "" "79622-59-6" "single chemical entity" "Component is a metabolite of the substance" "5-(3-chloro-5-trifluoromethyl-2-pyridylamino)-α,α,α-trifluoro-4,6-dinitro-o-cresol" "" "" "3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2,4-dinitro-6-(trifluoromethyl)phenol" "Not in list" "C13H5ClF6N4O5" "[O-][N+](=O)c2cc(c(O)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" "InChI=1/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "6" "Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fluazinam" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluazinam" "39658" "2008" "doi:10.2903/j.efsa.2008.137r"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "large colonies" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "small colonies" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "18" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is identical to the substance" "Fenamidone" "605-252-0" "161326-34-7" "(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one" "Fenamidone" "C17H17N3OS" "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "5" "Male" "oral: unspecified" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "" "" "(5S)-5-methyl-5-phenylimidazolidine-2,4-dione" "Not in list" "C10H10N2O2" "C[C@]1(NC(=O)NC1=O)c2ccccc2" "InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(S)-5-Methyl-5-phenyl-3-(phenylamino)- 2,4-imidazolidine-dione" "" "" "(5S)-5-methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione" "Not in list" "C16H15N3O2" "O=C2N(Nc1ccccc1)C(=O)N[C@@]2(C)c3ccccc3" "InChI=1/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "8" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenoxycarb" "276-696-7" "72490-01-8" "single chemical entity" "Component is identical to the substance" "Fenoxycarb" "276-696-7" "72490-01-8" "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" "Fenoxycarb" "C17H19NO4" "O=C(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)OCC" "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: unspecified" "" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The Netherlands" "Fenoxycarb (Final Addendum)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenoxycarb" "40526" "2010" "doi:10.2903/j.efsa.2010.1779"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: unspecified" "20" "D" "no data" "not applicable" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male/Female" "intraperitoneal" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is identical to the substance" "Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate" "Fenamiphos" "C13H22NO3PS" "Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC" "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "5" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenamiphos (aka phenamiphos)" "244-848-1" "22224-92-6" "single chemical entity" "Component is a metabolite of the substance" "des-isopropylamino fenamiphos sulfoxide" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The Netherlands" "Fenamiphos (Final Addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenamiphos" "38783" "2006" "doi:10.2903/j.efsa.2006.62r"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Alpha 742 S. marcescens" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Alpha 21 S. marcescens" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Other" "Alpha 13 S. marcescens" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "4" "Male/Female" "intraperitoneal" "8" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "4" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenbutatin oxide" "236-407-7" "13356-08-6" "single chemical entity" "Component is identical to the substance" "Fenbutatin oxide" "236-407-7" "13356-08-6" "hexakis(2-methyl-2-phenylpropyl)distannoxane" "Fenbutatin oxide" "C60H78OSn2" "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6" "InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CF-1" "8" "Male" "oral: gavage" "7" "D" "yes" "not applicable" "Negative" "" "" "RMS: Belgium" "Fenbutatin oxide" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbutatin oxide." "40422" "2010" "doi:10.2903/j.efsa.2010.1711"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "W3102 E.coli" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "G46" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "W3102 E.coli" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: unspecified" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "6" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "ICR" "6" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "Not reported" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "Not reported" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "3" "Male" "Not reported" "3" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "12" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenitrothion" "204-524-2" "122-14-5" "single chemical entity" "Component is identical to the substance" "Fenitrothion" "204-524-2" "122-14-5" "O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate" "Fenitrothion" "C9H12NO5PS" "COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]" "InChI=1/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "11" "Male" "oral: gavage" "5" "D" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenitrothion" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenitrothion" "38770" "2006" "doi:10.2903/j.efsa.2006.59r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Ambiguous" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "gene mutation" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Fenpropimorph" "266-719-9" "67564-91-4" "single chemical entity" "Component is identical to the substance" "Fenpropimorph" "266-719-9" "67564-91-4" "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" "Fenpropimorph" "C20H33NO" "CC(C)(C)C(C=C2)=CC=C2CC(C)CN1C[C@@H](C)O[C@@H](C)C1" "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "40" "Male" "intraperitoneal" "18" "D" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Fenpropimorph" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropimorph" "39658" "2008" "doi:10.2903/j.efsa.2008.144r"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is identical to the substance" "Flubendiamide" "" "272451-65-7" "3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-(4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-o-tolyl)phthalamide" "Flubendiamide" "C23H22F7IN2O4S" "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity$indirect evidence-systemic toxicity" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-N'-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O4S" "Cc2cc(ccc2NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O4S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-37(4,35)36/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flubendiamide" "" "272451-65-7" "single chemical entity" "Component is a metabolite of the substance" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "" "" "N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-hydroxy-N2-[2-methyl-1-(methylsulfonyl)propan-2-yl]phthalamide" "Not in list" "C23H23F7N2O5S" "O=C(NC(C)(C)CS(C)(=O)=O)c1c(cccc1O)C(=O)Nc2ccc(cc2C)C(F)(C(F)(F)F)C(F)(F)F" "InChI=1/C23H23F7N2O5S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-15(12)31-18(34)14-6-5-7-16(33)17(14)19(35)32-20(2,3)11-38(4,36)37/h5-10,33H,11H2,1-4H3,(H,31,34)(H,32,35)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Greece" "Flubendiamide" "2008" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flubendiamide." "41526" "2013" "doi:10.2903/j.efsa.2013.3298"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is identical to the substance" "Flonicamid" "" "158062-67-0" "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Flonicamid" "C9H6F3N3O" "O=C(NCC#N)c1cnccc1C(F)(F)F" "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "According to" "OECD Guideline 489" "No" "Acceptable" "House mouse (as animal)" "ddy mouse" "3" "Male" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinic acid" "623-902-1" "158063-66-2" "4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO2" "C1=CN=CC(=C1C(F)(F)F)C(=O)O" "InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "4-trifluoromethylnicotinamide" "" "" "4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C7H5F3N2O" "C1=CN=CC(=C1C(F)(F)F)C(=O)N" "InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycine" "" "" "N-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}glycine" "Not in list" "C9H7F3N2O3" "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O" "InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "N-(4-trifluoromethylnicotinoyl)glycinamide" "" "" "N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide" "Not in list" "C9H8F3N3O2" "O=C(NCC(N)=O)c1cnccc1C(F)(F)F" "InChI=1/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Flonicamid" "605-127-0" "158062-67-0" "single chemical entity" "Component is a metabolite of the substance" "6-hydroxy-4-trifluoromethylnicotinic acid" "" "" "6-hydroxy-4-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H4F3NO3" "FC(F)(F)c1cc(O)ncc1C(O)=O" "InChI=1/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flonicamid" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flonicamid" "40305" "2010" "doi:10.2903/j.efsa.2010.1445"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is identical to the substance" "Fluoxastrobin" "609-207-6" "361377-29-9" "(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine" "Fluoxastrobin" "Fluoxastrobin" "CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4" "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: The United Kingdom" "Fluoxastrobin" "2003" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fluoxastrobin" "609-207-6" "361377-29-9" "single chemical entity" "Component is a metabolite of the substance" "HEC5725-E-des-chlorophenyl" "" "" "(E)-5,6-dihydro-1,4,2-dioxazin-3-yl{2-[(5-fluoro-6-hydroxypyrimidin-4-yl)oxy]phenyl}methanone O-methyloxime" "Not in list" "C15H13FN4O5" "Fc3c(O)ncnc3Oc2ccccc2C(=N\OC)/C=1OCCON=1" "InChI=1/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12+" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fluoxastrobin (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fluoxastrobin" "38595" "2005" "doi:10.2903/j.efsa.2005.102r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is identical to the substance" "Fenpropidin" "" "67306-00-7" "1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidine" "Fenpropidin (sum of fenpropidin and its salts, expressed as fenpropidin)" "C19H31N" "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Tif:MAGf(SPF)" "10" "Male/Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Sweden" "Fenpropidin" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fenpropidin" "" "67306-00-7" "single chemical entity" "Component is a metabolite of the substance" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "" "" "1-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-piperidine-1-oxide" "Not in list" "C19H31NO" "[O-][N+]2(CC(C)Cc1ccc(cc1)C(C)(C)C)CCCCC2" "InChI=1/C19H31NO/c1-16(15-20(21)12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Sweden" "Fenpropidin (Addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenpropidin" "39477" "2008" "doi:10.2903/j.efsa.2008.124r"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "3" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is identical to the substance" "Fluquinconazole" "411-960-9" "136426-54-5" "3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one" "Fluquinconazole" "C16H8Cl2FN5O" "Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4" "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "Equivalent or similar to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "Yes" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "3" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Fluquinconazole" "411-960-9" "136426-54-5" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "" "" "3-(2,4-dichlorophenyl)-6-fluoro-2,4(1H,3H)-quinazolinedione" "Not in list" "C14H7Cl2FN2O2" "Clc1ccc(c(Cl)c1)N2C(=O)c3cc(F)ccc3NC2=O" "InChI=1S/C14H7Cl2FN2O2/c15-7-1-4-12(10(16)5-7)19-13(20)9-6-8(17)2-3-11(9)18-14(19)21/h1-6H,(H,18,21)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "30" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Fluquinconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluquinconazole" "40674" "2011" "doi:10.2903/j.efsa.2011.2096"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "No data" "oral: gavage" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Flumioxazin" "" "103361-09-7" "single chemical entity" "Component is identical to the substance" "Flumioxazin" "" "103361-09-7" "N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide" "Flumioxazine" "C19H15FN2O4" "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: France" "Flumioxazin (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flumioxazin" "41802" "2014" "doi:10.2903/j.efsa.2014.3736"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "oral: gavage" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "10" "Male/Female" "oral: gavage" "18" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is identical to the substance" "Quinmerac" "" "90717-03-6" "7-chloro-3-methylquinoline-8-carboxylic acid" "Quinmerac" "C11H8ClNO2" "O=C(O)C1=C(Cl)C=CC2=C1N=CC(C)=C2" "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "" "" "7-chloro-2-hydroxy-3-methylquinoline-8-carboxylic acid" "Not in list" "C11H8ClNO3" "OC(=O)c1c(Cl)ccc2cc(C)c(O)nc12" "InChI=1/C11H8ClNO3/c1-5-4-6-2-3-7(12)8(11(15)16)9(6)13-10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect-toxicokinetic investigations" "RMS: The United Kingdom" "Quinmerac" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Quinmerac" "" "90717-03-6" "single chemical entity" "Component is a metabolite of the substance" "7-chloroquinoline-3,8-dicarboxylic acid" "" "" "7-chloroquinoline-3,8-dicarboxylic acid" "Not in list" "C11H6ClNO4" "OC(=O)c1c(Cl)ccc2cc(cnc12)C(O)=O" "InChI=1/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Quinmerac (Additional report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance quinmerac" "40266" "2010" "doi:10.2903/j.efsa.2010.1523"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is identical to the substance" "Sulfoxaflor" "" "946578-00-3" "[methyl-oxo-[1-[6(trifluoromethyl)pyridin-3-yl]ethyl]-λ{6}-sulfanylidene]cyanamide" "Not in list" "C10H10F3N3OS" "CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C" "InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "12" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "" "" "1-[methyl(oxido){(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl}-(RS)λ6-sulfanylidene]urea" "Not in list" "C10H12F3N3O2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=NC(N)=O" "InChI=1/C10H12F3N3O2S/c1-6(19(2,18)16-9(14)17)7-3-4-8(15-5-7)10(11,12)13/h3-6H,1-2H3,(H2,14,17)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "" "" "(1RS)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol" "Not in list" "C8H8F3NO" "FC(F)(F)c1ccc(cn1)C(C)O" "InChI=1/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-ethyl-2-(trifluoromethyl)pyridine" "" "" "5-ethyl-2-(trifluoromethyl)pyridine" "Not in list" "C8H8F3N" "FC(F)(F)c1ccc(CC)cn1" "InChI=1/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(S-methylsulfonimidoyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H11F3N2OS" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=N)=O" "InChI=1/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Sulfoxaflor" "" "946578-00-3" "single chemical entity" "Component is a metabolite of the substance" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "" "" "5-[(1RS)-1-(methylsulfonyl)ethyl]-2-(trifluoromethyl)pyridine" "Not in list" "C9H10F3NO2S" "FC(F)(F)c1ccc(cn1)C(C)S(C)(=O)=O" "InChI=1/C9H10F3NO2S/c1-6(16(2,14)15)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Ireland" "Sulfoxaflor" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sulfoxaflor" "41780" "2014" "doi:10.2903/j.efsa.2014.3692"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Spain" "Flurochloridone" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Flurochloridone" "262-661-3" "61213-25-0" "single chemical entity" "Component is identical to the substance" "Flurochloridone" "262-661-3" "61213-25-0" "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" "Flurochloridone" "C12H10Cl2F3NO" "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Flurochloridone (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active Substance Flurochloridone (notified active substance) (However this ISO name refers to a 3:1 ratio of trans to cis isomers. As the compound considered in this conclusion is not a" "40526" "2010" "doi:10.2903/j.efsa.2010.1869"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: gavage" "14" "h" "yes" "not applicable" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "No data" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D3" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Formetanate hydrochloride" "245-656-0" "23422-53-9" "single chemical entity" "Component is identical to the substance" "Formetanate hydrochloride" "245-656-0" "23422-53-9" "[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride" "Formetanate hydrochloride" "C11H16ClN3O2" "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Italy" "Formetanate" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance formetanate" "38881" "2006" "doi:10.2903/j.efsa.2006.69r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "20" "Male" "oral: unspecified" "8" "week" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "intraperitoneal" "" "" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: The United Kingdom" "Fuberidazole (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "Equivalent or similar to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: The United Kingdom" "Fuberidazole (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fuberidazole" "223-404-0" "3878-19-1" "single chemical entity" "Component is identical to the substance" "Fuberidazole" "223-404-0" "3878-19-1" "2-(2-furyl)-1H-benzimidazole" "Fuberidazole" "C11H8N2O" "o1cccc1c2nc3ccccc3[nH]2" "InChI=1/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "6" "Male" "oral: gavage" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fuberidazole (Final addendum)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fuberidazole" "39456" "2008" "doi:10.2903/j.efsa.2008.118r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Human (as organism)" "alveolar basal epithelial cells (A549)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is identical to the substance" "Fenoxaprop-P-ethyl" "" "71283-80-2" "Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-P-Ethyl" "C18H16ClNO5" "CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" "organic" "compound" "PubChem isomeric SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Schizosaccharomyces pombe (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D4" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "HeLa cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fenoxaprop-P-ethyl" "" "71283-80-2" "single chemical entity" "Component is part of a group assessment" "Fenoxaprop-ethyl" "266-362-9" "66441-23-4" "Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" "Fenoxaprop-ethyl" "C18H16ClNO5" "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Austria" "Fenoxaprop-P-ethyl" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance fenoxaprop-P" "39429" "2007" "doi:10.2903/j.efsa.2007.121r"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "no information" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "no information" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "single chemical entity" "Component is identical to the substance" "Fluroxypyr-meptyl" "279-752-9" "81406-37-3" "Octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate" "Fluroxypyr-Meptyl" "C15H21Cl2FN2O3" "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "10" "Male/Female" "oral: gavage" "6" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Fluroxypyr" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluroxypyr (evaluated variant fluroxypyr-meptyl)" "40610" "2011" "doi:10.2903/j.efsa.2011.2091"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Ferric phosphate" "233-149-7" "10045-86-0" "single chemical entity" "Component is identical to the substance" "Ferric phosphate" "233-149-7" "10045-86-0" "iron(3+);phosphate" "Not in list" "FePO4" "[O-]P(=O)([O-])[O-].[Fe+3]" "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" "inorganic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Poland" "Ferric phosphate (Final addendum to Renewal Assessment Report)" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance ferric phosphate" "42033" "2015" "doi:10.2903/j.efsa.2015.3973"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Ambiguous" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "4" "Male" "oral: unspecified" "16" "h" "yes" "not applicable" "Ambiguous" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male/Female" "oral: gavage" "16" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "mixture or formulation" "Component is part of a mixture or forumlation" "Sedaxane" "" "874967-67-6" "N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide" "Not in list" "C18H19F2N3O" "FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1" "InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male/Female" "oral: gavage" "4" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "" "" "3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid" "Not in list" "C5H4F2N2O2" "FC(F)c1nncc1C(=O)O" "InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Sedaxane" "" "874967-67-6" "single chemical entity" "Component is a metabolite of the substance" "3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid" "" "176969-34-9" "3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid" "Not in list" "C6H6F2N2O2" "CN1C=C(C(=N1)C(F)F)C(=O)O" "InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Sedaxane" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sedaxane" "41304" "2013" "doi:10.2903/j.efsa.2013.3057"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "48" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "12" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "72" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Flutolanil" "" "66332-96-5" "single chemical entity" "Component is identical to the substance" "Flutolanil" "" "66332-96-5" "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" "Flutolanil" "C17H16F3NO2" "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "BDF1 mouse" "12" "Male/Female" "oral: unspecified" "24" "" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Flutolanil" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance flutolanil" "39657" "2008" "doi:10.2903/j.efsa.2008.126r"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is identical to the substance" "Fluopyram" "" "658066-35-4" "N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide" "Fluopyram" "C16H11ClF6N2O" "C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F" "InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C7H3ClF3NO2" "Clc1cc(cnc1C(=O)O)C(F)(F)F" "InChI=1/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Fluopyram" "" "658066-35-4" "single chemical entity" "Component is a metabolite of the substance" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "" "" "3-(methylsulfinyl)-5-(trifluoromethyl)-2-pyridinecarboxylic acid" "Not in list" "C8H6F3NO3S" "O=C(O)c1ncc(cc1S(C)=O)C(F)(F)F" "InChI=1/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Fluopyram (Final addendum)" "2012" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fluopyram" "41372" "2013" "doi:10.2903/j.efsa.2013.3052"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is identical to the substance" "Hexythiazox" "" "78587-05-0" "(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Hexythiazox" "C17H21ClN2O2S" "C[C@H]2[C@@H](SC(=O)N2C(=O)NC1CCCCC1)c3ccc(Cl)cc3" "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-(cis-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@@H]1CC[C@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14+,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-4-methyl-2-oxo-N-(3-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "O=C1CC(CCC1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H19ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13,15H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "OC1CCCC(C1)NC(=O)N3C(=O)SC(c2ccc(Cl)cc2)C3C" "InChI=1/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one" "Not in list" "C10H10ClNOS" "C[C@@H]2NC(=O)S[C@H]2c1ccc(Cl)cc1" "InChI=1/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-4-methyl-2-oxo-N-(4-oxocyclohexyl)-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H19ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)NC1CCC(=O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H19ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13,15H,6-9H2,1H3,(H,19,22)/t10-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@H]2[C@@H](SC(=O)N2C(=O)N[C@H]1CCCC[C@@H]1O)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-6-8-12(18)9-7-11)24-17(23)20(10)16(22)19-13-4-2-3-5-14(13)21/h6-10,13-15,21H,2-5H2,1H3,(H,19,22)/t10-,13-,14-,15+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4R,5R)-5-(4-chlorophenyl)-N-(trans-4-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C17H21ClN2O3S" "C[C@@H]2[C@H](SC(=O)N2C(=O)N[C@@H]1CC[C@@H](O)CC1)c3ccc(Cl)cc3" "InChI=1/C17H21ClN2O3S/c1-10-15(11-2-4-12(18)5-3-11)24-17(23)20(10)16(22)19-13-6-8-14(21)9-7-13/h2-5,10,13-15,21H,6-9H2,1H3,(H,19,22)/t10-,13-,14-,15+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Hexythiazox" "" "78587-05-0" "single chemical entity" "Component is a metabolite of the substance" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "" "" "(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide" "Not in list" "C11H11ClN2O2S" "C[C@H]1[C@@H](SC(=O)N1C(=O)N)c2ccc(Cl)cc2" "InChI=1/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Finland" "Hexythiazox" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hexythiazox" "40465" "2010" "doi:10.2903/j.efsa.2010.1722"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is identical to the substance" "Fenbuconazole" "" "114369-43-6" "4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile" "Fenbuconazole" "C19H17ClN4" "ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1" "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "fibroblast" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "without" "Ambiguous" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "in vitro mammalian cell transformation assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Hamster (as animal)" "kidney cells" "" "" "Not reported" "" "" "no data" "with" "Ambiguous" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "B6C3F1" "5" "Male" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "no data" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "no data" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "no data" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5S)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Fenbuconazole" "601-308-3" "114369-43-6" "single chemical entity" "Component is a metabolite of the substance" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "" "" "(3R,5R)-5-(4-chlorophenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)dihydrofuran-2(3H)-one" "Not in list" "C19H16ClN3O2" "O=C2O[C@H](C[C@]2(Cn1ncnc1)c3ccccc3)c4ccc(Cl)cc4" "InChI=1/C19H16ClN3O2/c20-16-8-6-14(7-9-16)17-10-19(18(24)25-17,11-23-13-21-12-22-23)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2/t17-,19+/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Fenbuconazole" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenbuconazole" "40281" "2010" "doi:10.2903/j.efsa.2010.1558"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is identical to the substance" "Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "sodium (4,6-dimethoxypyrimidin-2-yl)[({[3-(methoxycarbonyl)-6-(trifluoromethyl)pyridin-2-yl]sulfonyl}amino)carbonyl]azanide" "Not in list" "C15H13F3N5O7SNa" "COC1=CC(=NC(=N1)[N-]C(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC.[Na+]" "InChI=1S/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/q;+1/p-1" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Flupyrsulfuron-methyl (DPX-KE459)" "1997" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C14H10F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(OC)cc(OC)n3" "InChI=1/C14H10F3N5O4/c1-25-8-5-9(26-2)20-12(19-8)22-10-6(11(23)21-13(22)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,21,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "" "" "1-(4-hydroxy-6-methoxypyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione" "Not in list" "C13H8F3N5O4" "FC(F)(F)c1ccc2c(n1)N(C(=O)NC2=O)c3nc(O)cc(OC)n3" "InChI=1/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "2-sulfamoyl-6-(trifluoromethyl)nicotinic acid" "" "" "2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylic acid" "Not in list" "C7H5F3N2O4S" "FC(F)(F)c1ccc(C(O)=O)c(n1)S(N)(=O)=O" "InChI=1/C7H5F3N2O4S/c8-7(9,10)4-2-1-3(6(13)14)5(12-4)17(11,15)16/h1-2H,(H,13,14)(H2,11,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Positive" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Flupyrsulfuron-methyl-sodium" "" "144740-54-5" "single chemical entity" "Component is a metabolite of the substance" "methyl 2-sulfamoyl-6-(trifluoromethyl)nicotinate" "" "" "methyl 2-sulfamoyl-6-(trifluoromethyl)pyridine-3-carboxylate" "Not in list" "C8H7F3N2O4S" "FC(F)(F)c1ccc(C(=O)OC)c(n1)S(N)(=O)=O" "InChI=1/C8H7F3N2O4S/c1-17-7(14)4-2-3-5(8(9,10)11)13-6(4)18(12,15)16/h2-3H,1H3,(H2,12,15,16)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France - CoRMS: Denmark" "Flupyrsulfuron-methyl" "2014" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flupyrsulfuron (variant evaluated flupyrsulfuron-methyl-sodium)" "41949" "2014" "doi:10.2903/j.efsa.2014.3881"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Carbendazim, Benomyl, Thiophanate-methyl (Addendum)" "2002" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Germany" "Carbendazim, Benomyl, Thiophanate-methyl (Addendum)" "2002" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Carbendazim" "234-232-0" "10605-21-7" "single chemical entity" "Component is part of a group but not included in the group assessment" "Thiophanate-methyl" "245-740-7" "23564-05-8" "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" "Thiophanate-methyl" "C12H14N4O4S2" "COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC" "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany" "Carbendazim, Benomyl, Thiophanate-methyl (Addendum)" "2002" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance carbendazim" "40310" "2010" "doi:10.2903/j.efsa.2010.1598"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is identical to the substance" "Tebufenozide" "" "112410-23-8" "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" "Tebufenozide" "C22H28N2O2" "O=C(N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O)C1=CC(C)=CC(C)=C1" "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "" "" "N'-[(4-acetylphenyl)carbonyl]-N-tert-butyl-3,5-dimethylbenzohydrazide" "Not in list" "C22H26N2O3" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C" "InChI=1/C22H26N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent no treatment" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "" "" "4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)benzoic acid" "Not in list" "C21H24N2O4" "Cc1cc(cc(C)c1)C(=O)N(NC(=O)c2ccc(cc2)C(O)=O)C(C)(C)C" "InChI=1/C21H24N2O4/c1-13-10-14(2)12-17(11-13)19(25)23(21(3,4)5)22-18(24)15-6-8-16(9-7-15)20(26)27/h6-12H,1-5H3,(H,22,24)(H,26,27)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent no treatment" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-(hydroxymethyl)-5-methylbenzohydrazide" "Not in list" "C22H28N2O3" "Cc1cc(cc(CO)c1)C(=O)N(NC(=O)c2ccc(CC)cc2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-13,25H,6,14H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3-(hydroxymethyl)-5-methylbenzohydrazide conjugates" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "" "" "5-({2-[(4-acetylphenyl)carbonyl]-1-tert-butylhydrazinyl}carbonyl)benzene-1,3-dicarboxylic acid" "Not in list" "C22H22N2O7" "O=C(O)c1cc(cc(c1)C(=O)N(NC(=O)c2ccc(cc2)C(C)=O)C(C)(C)C)C(O)=O" "InChI=1/C22H22N2O7/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(22(2,3)4)19(27)15-9-16(20(28)29)11-17(10-15)21(30)31/h5-11H,1-4H3,(H,23,26)(H,28,29)(H,30,31)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "" "" "[4-({2-tert-butyl-2-[(3,5-dimethylphenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetic acid" "Not in list" "C22H26N2O4" "O=C(O)Cc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H26N2O4/c1-14-10-15(2)12-18(11-14)21(28)24(22(3,4)5)23-20(27)17-8-6-16(7-9-17)13-19(25)26/h6-12H,13H2,1-5H3,(H,23,27)(H,25,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "" "" "N-tert-butyl-N'-{[4-(1-hydroxyethyl)phenyl]carbonyl}-3,5-dimethylbenzohydrazide" "Not in list" "C22H28N2O3" "OC(C)c1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C" "InChI=1/C22H28N2O3/c1-14-11-15(2)13-19(12-14)21(27)24(22(4,5)6)23-20(26)18-9-7-17(8-10-18)16(3)25/h7-13,16,25H,1-6H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tebufenozide" "" "112410-23-8" "single chemical entity" "Component is a metabolite of the substance" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "" "" "N-tert-butyl-N'-[(4-ethylphenyl)carbonyl]-3-formyl-5-methylbenzohydrazide" "Not in list" "C22H26N2O3" "CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C=O)c2)C(C)(C)C" "InChI=1/C22H26N2O3/c1-6-16-7-9-18(10-8-16)20(26)23-24(22(3,4)5)21(27)19-12-15(2)11-17(13-19)14-25/h7-14H,6H2,1-5H3,(H,23,26)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tebufenozide" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tebufenozide" "40526" "2010" "doi:10.2903/j.efsa.2010.1871"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Not reported" "" "Male/Female" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Ambiguous" "" "no evidence" "RMS: Germany" "Tefluthrin" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Tefluthrin" "" "79538-32-2" "single chemical entity" "Component is identical to the substance" "Tefluthrin" "" "79538-32-2" "2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" "Tefluthrin" "C17H14ClF7O2" "O=C(OCC2=C(F)C(F)=C(C)C(F)=C2F)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F" "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany" "Tefluthrin (Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance tefluthrin" "40521" "2010" "doi:10.2903/j.efsa.2010.1709"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Inconclusive" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Inconclusive" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil (Final addendum)" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil (Final addendum)" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "14" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Fipronil (Final addendum)" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is identical to the substance" "Fipronil" "" "120068-37-3" "5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
+pyrazole-3-carbonitrile" "Fipronil" "C12H4Cl2F6N4OS" "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "3" "Male" "oral: gavage" "3" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: France" "Fipronil (Final addendum)" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "" "" "5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylthio-1-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(SC(F)(F)F)c1N)c(Cl)c2" "InChI=1/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylsulfonylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4O2S" "FC(F)(F)S(=O)(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoro-methylpyrazole-3-carbonitrile" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile" "Not in list" "C12H4Cl2F6N4" "FC(F)(F)c1cc(Cl)c(c(Cl)c1)n2nc(C#N)c(c2N)C(F)(F)F" "InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid, potassium salt" "" "" "5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) pyrazole-4-sulfonic acid" "Not in list" "C11H5Cl2F3N4O3S" "FC(F)(F)c2cc(Cl)c(n1nc(C#N)c(c1N)S(O)(=O)=O)c(Cl)c2" "InChI=1/C11H5Cl2F3N4O3S/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(24(21,22)23)7(3-17)19-20/h1-2H,18H2,(H,21,22,23)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonylpyrazole-3-carboxylic acid" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carboxylic acid" "Not in list" "C12H5Cl2F6N3O3S" "FC(F)(F)S(=O)c2c(nn(c1c(Cl)cc(cc1Cl)C(F)(F)F)c2N)C(O)=O" "InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Positive" "" "" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "14" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Fipronil" "" "120068-37-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-trifluoromethylsulfonyl-1H-pyrazole-3-carboxamide" "" "" "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carboxamide" "Not in list" "C12H6Cl2F6N4O2S" "FC(F)(F)S(=O)c1c(N)n(nc1C(N)=O)c2c(Cl)cc(cc2Cl)C(F)(F)F" "InChI=1/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)/t27?" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "14" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: France" "Fipronil" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment for bees for the active substance fipronil." "41421" "2013" "doi:10.2903/j.efsa.2013.3158"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "genome mutation" "Drosophila SLRL test" "in vivo" "According to" "OECD Guideline 477 (Genetic Toxicology: Sex-linked Recessive Lethal Test in Drosophila melanogaster)" "No" "Acceptable" "Drosophila melanogaster (as animal)" "Oregon-R" "75" "Male" "oral: feed" "3" "D" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "oral: unspecified" "24" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Hymexazol" "233-000-6" "10004-44-1" "single chemical entity" "Component is identical to the substance" "Hymexazol" "233-000-6" "10004-44-1" "5-methylisoxazol-3(2H)-one" "Hymexazol" "C4H5NO2" "O=C1C=C(C)ON1" "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "Not reported" "" "No data" "oral: unspecified" "48" "h" "yes" "not applicable" "Positive" "" "" "RMS: Finland" "Hymexazol (Revised/Additional Report)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance hymexazol" "40403" "2010" "doi:10.2903/j.efsa.2010.1653"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "no information" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "Equivalent or similar to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is identical to the substance" "Triadimenol" "259-537-6" "55219-65-3" "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" "Triadimenol" "C14H18ClN3O2" "OC(C(C)(C)C)C(N2N=CN=C2)OC1=CC=C(Cl)C=C1" "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "50" "Male" "oral: gavage" "48" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "1,2,4-Triazole" "206-022-9" "288-88-0" "1H-1,2,4-triazole" "Triazole, 1,2,4-" "C2H3N3" "C1=NC=NN1" "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole acetic acid" "" "28711-29-7" "2-(1,2,4-Triazol-1-yl)acetic acid" "Triazole acetic acid" "C4H5N3O2" "C1=NN(C=N1)CC(=O)O" "InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Hamster (as animal)" "Chinese" "16" "Male/Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CBA" "5" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CBA" "5" "Male" "intraperitoneal" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CBA" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Triadimenol" "259-537-6" "55219-65-3" "single chemical entity" "Component is a metabolite of the substance" "Triazole alanine" "233-301-2" "10109-05-4" "2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid" "Triazole alanine" "C5H8N4O2" "C1=NNC(=N1)CC(C(=O)O)N" "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "NMRI" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Ambiguous" "" "no evidence" "RMS: The United Kingdom" "Triadimenol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triadimenol" "39738" "2008" "doi:10.2903/j.efsa.2008.177r"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "no information" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "no information" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "chromosome aberration assay" "in vivo" "Equivalent or similar to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "Alderly Park Rat" "5" "Male" "oral: gavage" "6" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "72" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "C57BL" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "5" "Male" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "dominant lethal assay" "in vivo" "Equivalent or similar to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "15" "Male" "oral: gavage" "7" "D" "no data" "not applicable" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol" "2006" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Flutriafol" "616-367-0" "76674-21-0" "single chemical entity" "Component is identical to the substance" "Flutriafol" "616-367-0" "76674-21-0" "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol" "Flutriafol" "C16H13F2N3O" "OC(CN1N=CN=C1)(C(C=C2)=CC=C2F)C(C=CC=C3)=C3F" "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: The United Kingdom" "Flutriafol (Additional report)" "2010" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance flutriafol" "40472" "2010" "doi:10.2903/j.efsa.2010.1868"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is identical to the substance" "Fenpyrazamine" "" "473798-59-3" "S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate" "Fenpyrazamine" "C17H21N3O2S" "n1(c(c(c(=O)n1C(C)C)c1ccccc1C)N)C(=O)SCC=C" "InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "indirect evidence-systemic toxicity$indirect-toxicokinetic investigations" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Fenpyrazamine" "" "473798-59-3" "single chemical entity" "Component is a metabolite of the substance" "5-Amino-1,2-dihydro-2-isopropyl-4-(otolyl) pyrazol-3-one" "" "" "5-amino-4-(2-methylphenyl)-2-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one" "Not in list" "C13H17N3O" "O=C2C(c1ccccc1C)=C(N)NN2C(C)C" "InChI=1S/C13H17N3O/c1-8(2)16-13(17)11(12(14)15-16)10-7-5-4-6-9(10)3/h4-8,15H,14H2,1-3H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Austria" "Fenpyrazamine (S-2188)" "2011" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance fenpyrazamine" "40935" "2012" "doi:10.2903/j.efsa.2012.2496"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Ambiguous" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is identical to the substance" "Haloxyfop-P" "" "95977-29-0" "(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" "Haloxyfop-P" "C15H11ClF3NO4" "O=C(O)[C@@H](C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F" "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a group assessment" "Haloxyfop-P-methyl ester" "406-250-0" "72619-32-0" "Methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" "Not in list" "C16H13ClF3NO4" "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: feed" "42" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is part of a mixture or forumlation" "Racemic Haloxyfop" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "10" "Male/Female" "oral: feed" "30" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R" "2004" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "" "" "3-chloro-1-methyl-5-(trifluoromethyl)-2(1H)-pyridinone" "Not in list" "C7H5ClF3NO" "ClC1=CC(=CN(C)C1=O)C(F)(F)F" "InChI=1/C7H5ClF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male/Female" "oral: gavage" "16" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Fischer344" "" "Male/Female" "oral: gavage" "4" "h" "yes" "not applicable" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Haloxyfop-P" "" "95977-29-0" "single chemical entity" "Component is a metabolite of the substance" "3-chloro-5-(trifluoromethyl)pyridin-2-ol" "" "76041-71-9" "3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one" "Not in list" "C6H3ClF3NO" "C1=C(C(=O)NC=C1C(F)(F)F)Cl" "InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Rat (as animal)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Denmark" "Haloxyfop-R (Addendum )" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of confirmatory data submitted for the active substance haloxyfop-P" "41985" "2014" "doi:10.2903/j.efsa.2014.3931"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Positive" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Positive" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "72" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "20" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "20" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is identical to the substance" "Triflusulfuron-methyl" "" "126535-15-7" "Methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,
+5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate" "Triflusulfuron-Methyl" "C17H19F3N6O6S" "CC1=CC=CC(=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C)C(=O)OC" "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "According to" "OECD Guideline 483 (Mammalian Spermatogonial Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "ICR" "5" "Male" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "415-500-8" "145963-84-4" "2-N,2-N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C7H10F3N5O" "CN(C)C1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C7H10F3N5O/c1-15(2)5-12-4(11)13-6(14-5)16-3-7(8,9)10/h3H2,1-2H3,(H2,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C6H8F3N5O" "CNC1=NC(=NC(=N1)N)OCC(F)(F)F" "InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "" "" "6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine" "Not in list" "C5H6F3N5O" "FC(F)(F)COc1nc(N)nc(N)n1" "InChI=1/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Triflusulfuron-methyl" "" "126535-15-7" "single chemical entity" "Component is a metabolite of the substance" "7-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide" "" "" "7-methyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide" "Not in list" "C8H7NO3S" "Cc1cccc2c1S(=O)(=O)NC2=O" "InChI=1S/C8H7NO3S/c1-5-3-2-4-6-7(5)13(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: France" "Triflusulfuron-methyl" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance triflusulfuron (considered variant triflusulfuron-methyl)." "39920" "2009" "doi:10.2903/j.efsa.2009.195r"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "large colonies" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "small colonies" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "large colonies" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "small colonies" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "Equivalent or similar to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Yes" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Inconclusive" "" "no evidence" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "No data" "oral: unspecified" "72" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "No data" "intraperitoneal" "12" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "" "No data" "intraperitoneal" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "Rat (as animal)" "Wistar" "30" "Male" "oral: gavage" "1" "week" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: unspecified" "8" "week" "no data" "not applicable" "Negative" "" "" "RMS: Germany" "Glyphosate" "1998" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "small colonies" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "small colonies" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "large colonies" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "Yes" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "large colonies" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "Equivalent or similar to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "Yes" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "77" "Male" "intraperitoneal" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "7" "Male" "intraperitoneal" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male" "oral: unspecified" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "12" "Male" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: unspecified" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "Rat (as animal)" "Crj:CD(SD)" "10" "Male/Female" "oral: unspecified" "48" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "no information" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "no information" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "" "Male/Female" "oral: unspecified" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is a metabolite of the substance" "(aminomethyl)phosphonic acid" "623-325-5" "1066-51-9" "aminomethylphosphonic acid" "Not in list" "CH6NO3P" "C(N)P(=O)(O)O" "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 2139)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Rodeo)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (MON 14445t)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Glifos)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "no evidence" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 8080" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Dodigen 4022" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "MON 0818" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male/Female" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "direct evidence-cytotoxicity" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "4" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "4" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "6" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "4" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "6" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "4" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "intraperitoneal" "" "" "no data" "not applicable" "Ambiguous" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "kidney cells" "" "" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "hepatocytes" "" "" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "kidney cells" "" "" "intraperitoneal" "" "" "no data" "not applicable" "Ambiguous" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vivo" "Equivalent or similar to" "OECD Guideline 489" "No data" "Acceptable" "Other" "Not reported" "" "No data" "Not reported" "24" "h" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "dominant lethal assay" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "Male" "oral: feed" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "72" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Percozyd 10 SL)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "48" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Percozyd 10 SL)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Percozyd 10 SL)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "no data" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Drosophila melanogaster (as animal)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Inconclusive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "1" "D" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "House mouse (as animal)" "spleen cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "21" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "14" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "7" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "1" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "3" "D" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Herbazed)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "5" "D" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is part of a group assessment" "Glyphosate isopropyl amine salt" "254-056-8" "38641-94-0" "N-(phosphonomethyl)glycine - isopropylamine (1:1)" "Not in list" "C6H17N2O5P" "CC(C)[NH3+].CC(C)[NH3+].CC(C)[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]" "InChI=1S/C3H8NO5P.3C3H9N/c5-3(6)1-4-2-10(7,8)9;3*1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3*3H,4H2,1-2H3" "organic" "compound" "Other" "Other" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Bovinae (bovines = Tribe bovini) (as animal)" "lymphocytes" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "single cell gel/comet assay in mammalian cells for detection of DNA damage" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Human (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian cell micronucleus test" "in vitro" "According to" "OECD Guideline 487 (In Vitro Mammalian Cell Micronucleus Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "Rabbit (as animal)" "Not reported" "" "No data" "oral: feed" "60" "D" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "oral: unspecified" "" "" "no data" "not applicable" "Negative" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is the active ingredient of the mixture or formulation" "Glyphosate formulation (Roundup)" "" "" "" "Not in list" "" "" "" "organic" "no structure" "" "" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "Not reported" "" "No data" "intraperitoneal" "" "" "no data" "not applicable" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Glyphosate" "213-997-4" "1071-83-6" "single chemical entity" "Component is identical to the substance" "Glyphosate" "213-997-4" "1071-83-6" "2-(phosphonomethylamino)acetic acid" "Glyphosate" "C3H8NO5P" "C(C(=O)O)NCP(=O)(O)O" "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "sister chromatid exchange assay in mammalian cells" "in vitro" "According to" "OECD Guideline 479 (Genetic Toxicology: In Vitro Sister Chromatid Exchange Assay in Mammalian Cells)" "No" "Acceptable" "Human (as organism)" "fibroblast" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Germany - CoRMS: Slovakia" "Glyphosate (Renewal Assessment Report)" "2013" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance glyphosate" "42307" "2015" "doi:10.2903/j.efsa.2015.4302"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Tolylfluanid" "211-986-9" "731-27-1" "single chemical entity" "Component is identical to the substance" "Tolylfluanid" "211-986-9" "731-27-1" "N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" "Tolylfluanid" "C10H13Cl2FN2O2S2" "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "NMRI" "5" "Male" "intraperitoneal" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Finland" "Tolylfluanid (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tolylfluanid" "38463" "2005" "doi:10.2903/j.efsa.2005.29r"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 97" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "yeast cytogenetic assay" "in vitro" "According to" "OECD Guideline 480 (Genetic Toxicology: Saccharomyces cerevisiae, Gene Mutation Assay)" "No" "Acceptable" "Aspergillus nidulans (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "Not reported" "" "" "Not reported" "" "" "no data" "no data" "Positive" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "embryo cells" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "M45" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "Bacillus subtilis recombination assay" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Bacillus subtilis (as organism)" "H17" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "Not applicable" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "no data" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "chromosome aberration assay" "in vivo" "According to" "OECD Guideline 475 (Mammalian Bone Marrow Chromosome Aberration Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "Male" "oral: gavage" "24" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "other" "in vivo" "No guideline available" "Not reported" "Not applicable" "Acceptable" "House mouse (as animal)" "ICR" "" "No data" "intraperitoneal" "3" "h" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "C3H" "15" "Male" "oral: unspecified" "6" "week" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Thiabendazole" "205-725-8" "148-79-8" "single chemical entity" "Component is identical to the substance" "Thiabendazole" "205-725-8" "148-79-8" "2-(thiazol-4-yl)benzimidazole" "Thiabendazole" "C10H7N3S" "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "dominant lethal assay" "in vivo" "According to" "OECD Guideline 478 (Genetic Toxicology: Rodent Dominant Lethal Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "" "No data" "oral: gavage" "8" "week" "no data" "not applicable" "Negative" "" "" "RMS: Spain" "Thiabendazole" "1996" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thiabendazole" "41947" "2014" "doi:10.2903/j.efsa.2014.3880"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "No guideline followed" "Not reported" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "No guideline followed" "Not reported" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "mammalian germ cell cytogenetic assay" "in vivo" "No guideline followed" "Not reported" "No" "Acceptable" "Rat (as animal)" "Sprague-Dawley" "30" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "mixture or formulation" "Component is identical to the substance" "Flurtamone" "619-224-0" "96525-23-4" "(RS)-5-methylamino-2-phenyl-4-(α,α,α-trifluoro-m-tolyl)furan-3(2H)-one" "Flurtamone" "C18H14F3NO2" "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "Equivalent or similar to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "Yes" "Acceptable" "House mouse (as animal)" "Not reported" "12" "Male/Female" "oral: unspecified" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "no information" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "no information" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "Trifluoroacetic acid" "200-929-3" "76-05-1" "2,2,2-trifluoroacetic acid" "Not in list" "C2HF3O2" "C(=O)(C(F)(F)F)O" "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "small colonies" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "small colonies" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "without" "Negative" "large colonies" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "yes" "with" "Positive" "large colonies" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "6" "Male" "oral: gavage" "24" "h" "yes, concurrent vehicle" "not applicable" "Negative" "" "no evidence" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "12" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Flurtamone" "619-224-0" "96525-23-4" "single chemical entity" "Component is a metabolite of the substance" "3-(trifluoromethyl)benzoic acid" "207-230-2" "454-92-2" "3-(trifluoromethyl)benzoic acid" "Not in list" "C8H5F3O2" "FC(F)(F)c1cccc(c1)C(=O)O" "InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "unscheduled DNA synthesis" "in vivo" "According to" "OECD Guideline 486 (Unscheduled DNA Synthesis (UDS) Test with Mammalian Liver Cells in vivo)" "No" "Acceptable" "Rat (as animal)" "Wistar" "4" "Male" "oral: gavage" "2" "h" "yes" "not applicable" "Negative" "" "" "RMS: Czech Republic - CoRMS: Ireland" "Flurtamone Active substance data" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance flurtamone" "42527" "2016" "doi: 10.2903/j.efsa.2016.4498"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1538" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 98" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 100" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1537" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "gene mutation" "bacterial reverse mutation assay" "in vitro" "Equivalent or similar to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "Yes" "Acceptable" "Salmonella typhimurium (as organism)" "TA 1535" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "(k12)p3478" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "other" "in vitro" "No guideline available" "Not reported" "Not applicable" "Acceptable" "Escherichia coli (as organism)" "W3110" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "According to" "OECD Guideline 481 (Genetic Toxicology: Saccharomyces cerevisiae, Mitotic Recombination Assay)" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "genome mutation" "mitotic recombination in Saccharomyces cerevisiae" "in vitro" "No guideline followed" "Not reported" "No" "Acceptable" "Saccharomyces cerevisiae (as organism)" "D7" "" "" "Not reported" "" "" "no data" "without" "Positive" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "DNA damage and/or repair" "DNA damage and repair assay, unscheduled DNA synthesis in mammalian cells in vitro" "in vitro" "According to" "OECD Guideline 482 (Genetic Toxicology: DNA Damage and Repair, Unscheduled DNA Synthesis in Mammalian Cells In Vitro)" "No" "Acceptable" "Rat (as animal)" "hepatocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Thiodicarb" "261-848-7" "59669-26-0" "single chemical entity" "Component is identical to the substance" "Thiodicarb" "261-848-7" "59669-26-0" "Methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]
+sulfanylcarbamoyl]oxyethanimidothioate" "Thiodicarb" "C10H18N4O4S3" "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3" "organic" "compound" "PubChem canonical SMILES" "PubChem InChI" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Thiodicarb (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance thiodicarb" "38747" "2006" "doi:10.2903/j.efsa.2006.55r"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "TA 102" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Sintofen (aka cintofen)" "" "130561-48-7" "single chemical entity" "Component is identical to the substance" "Sintofen (aka cintofen)" "" "130561-48-7" "1-(4-Chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid" "Sintofen (aka cintofen)" "C18H15ClN2O5" "O=C(O)C2=NN(c1ccc(Cl)cc1)c3cccc(OCCOC)c3C2=O" "InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "WP2 uvr A pKM 101" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: France" "Sintofen (revised DAR)" "2009" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance sintofen" "40526" "2010" "doi:10.2903/j.efsa.2010.1931"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Escherichia coli (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "bacterial reverse mutation assay" "in vitro" "According to" "OECD Guideline 471 (Bacterial Reverse Mutation Assay)" "No" "Acceptable" "Salmonella typhimurium (as organism)" "Not reported" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "large colonies" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "large colonies" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "without" "Negative" "small colonies" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "House mouse (as animal)" "lymphoma L5178Y cells" "" "" "Not reported" "" "" "no data" "with" "Negative" "small colonies" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "without" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Tralkoxydim" "" "87820-88-0" "single chemical entity" "Component is a metabolite of the substance" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "" "" "3-(2,4,6-trimethylphenyl)pentanedioic acid" "Not in list" "C14H18O4" "OC(=O)CC(CC(O)=O)c1c(C)cc(C)cc1C" "InChI=1/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)" "organic" "compound" "Other" "Other" "chromosome aberration" "in vitro mammalian chromosome aberration test" "in vitro" "According to" "OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test)" "No" "Acceptable" "Human (as organism)" "lymphocytes" "" "" "Not reported" "" "" "no data" "with" "Negative" "" "" "RMS: The United Kingdom" "Tralkoxydim (Addendum 1)" "2007" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion regarding the peer review of the pesticide risk assessment of the active substance tralkoxydim" "39657" "2008" "doi:10.2903/j.efsa.2008.139r"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "with" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Fenamidone" "605-252-0" "161326-34-7" "single chemical entity" "Component is a metabolite of the substance" "(5S)-5-methyl-2-(methylthio)-5-phenyl-3,5-dihydro- 4H-imidazol-4-one" "" "" "(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3,5-dihydro-4H-imidazol-4-one" "Not in list" "C11H12N2OS" "C[C@]1(N=C(SC)NC1=O)c2ccccc2" "InChI=1/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "lung fibroblasts (V79)" "" "" "Not reported" "" "" "yes" "without" "Negative" "" "" "RMS: Czech republic - CoRMS: France" "Fenamidone (Renewal Assessment Report)" "2016" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance fenamidone" "42422" "2016" "doi:10.2903/j.efsa.2016.4406"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Trifluralin (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Trifluralin" "216-428-8" "1582-09-8" "single chemical entity" "Component is identical to the substance" "Trifluralin" "216-428-8" "1582-09-8" "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" "Trifluralin" "C13H16F3N3O4" "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" "InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "CD-1" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: Greece" "Trifluralin (Final addendum)" "2005" "Conclusion on Pesticides Peer Review" "EFSA" "Peer review of the pesticide risk assessment of the active substance trifluralin" "40030" "2009" "doi:10.2903/j.efsa.2009.327r"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "with" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "gene mutation" "mammalian cell gene mutation assay" "in vitro" "According to" "OECD Guideline 476 (In vitro Mammalian Cell Gene Mutation Test)" "No" "Acceptable" "Hamster (as animal)" "CHO" "" "" "Not reported" "" "" "yes, concurrent vehicle" "without" "Negative" "" "" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "24" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "48" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+"Thifensulfuron-methyl" "616-673-4" "79277-27-3" "single chemical entity" "Component is a metabolite of the substance" "methyl 3-sulfamoylthiophene-2-carboxylate" "" "" "methyl 3-sulfamoylthiophene-2-carboxylate" "Not in list" "C6H7NO4S2" "O=S(N)(=O)c1ccsc1C(=O)OC" "InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)" "organic" "compound" "Other" "Other" "chromosome aberration" "Mammalian erythrocyte micronucleus test" "in vivo" "According to" "OECD Guideline 474 (Mammalian Erythrocyte Micronucleus Test)" "No" "Acceptable" "House mouse (as animal)" "Swiss" "10" "Male/Female" "oral: gavage" "72" "h" "yes" "not applicable" "Negative" "" "no evidence" "RMS: The United Kingdom" "Thifensulfuron-methyl" "2015" "Conclusion on Pesticides Peer Review" "EFSA" "Conclusion on the peer review of the pesticide risk assessment of the active substance thifensulfuron-methyl" "42208" "2015" "doi:10.2903/j.efsa.2015.4201"
+ "Name" "Type" "Description" "isNullable" "isRecordUniqueIdentifier" "Catalogue Code" "Last update"
+"GUIDELINE_QUALIFIER" "Character" "Indicates how strict the guideline given in the subsequent field 'Guideline' was followed or whether no guideline was used or available/required" "FALSE" "26/10/2015"
+"GENOTOXGUIDELINEFULLTXT" "Character" "Full description for the guideline followed" "FALSE" "10-27-19"
+"DEVIATION" "Character" "Indicates whether a genotoxicity study contains deviations from the standard test protocol" "FALSE" "26/10/2015"
+"GLP_COMPL" "Character" "Indicates whether a GLP certificate or compliance statement is available" "FALSE" "26/10/2015"
+"TESTTYPE" "Character" "Description of the type of test" "10-27-19"
+"METHOD_TYPE" "Character" "Description of the method of test" "26/10/2015"
+"SPECIES" "Character" "Description of the organism/cell culture tested" "FALSE" "10-27-19"
+"STRAIN" "Character" "Description of the strain/subtype tested" "FALSE" "26/10/2015"
+"SEX" "Character" "Indicates the sex of the tested animals in vivo genotoxicity study" "FALSE" "26/10/2015"
+"MET_INDICATOR" "Character" "Indicates whether exogenous metabolic activation was applied or not (In vitro studies only)" "FALSE" "10-27-19"
+"ROUTE" "Character" "Description of the route of administration" "FALSE" "26/10/2015"
+"EXP_PERIOD" "Numeric" "Exposure duration for in vivo genotoxicity studies" "FALSE" "10-27-19"
+"EXPPERIODUNIT" "Character" "Short description of the exposure duration for in vivo genotoxicity studies" "FALSE" "26/10/2015"
+"NUMBER_INDIVIDUALS" "Numeric" "Number of organisms dosed at each dose level of the in vivo genotoxicty study" "FALSE" "26/10/2015"
+"CONTROL" "Character" "Indicates whether and what type of concurrent control groups were used in in vivo genotoxicity study" "FALSE" "26/10/2015"
+"GENOTOX_ENDPOINT" "Character" "Enumeration type of genotoxicity endpoint" "10-27-19"
+"RESULTS" "Character" "Indicates whether the test has positive or negative result" "FALSE" "26/10/2015"
+"ACCEPTABILITY" "Character" "Indicates whether the result is accettable or not" "26/10/2015"
+"MOUSELYMPHTEST" "Character" "Description of colony size for mouse lymphoma test" "10-27-19"
+"INVIVOTISSUEEXP" "Character" "Evidence of tissue exposure for in vivo test" "10-27-19"
+"SUB_NAME" "Character" "Substance name as defined in the opinions. If multiple names for the same substances are reported, the most specific (or more common) is reported. No synonyms are foreseen for substance name" "FALSE" "01/06/2015"
+"SUB_ECSUBINVENTENTRYREF" "Character" "Indicates the EC reference number as defined by ECHA" "TRUE" "01/06/2015"
+"SUB_CASNUMBER" "Character" "Chemical Abstracts Service number" "TRUE" "01/06/2015"
+"SUB_TYPE" "Character" "Enumerated list to describe components comprising the substance" "FALSE" "01/06/2015"
+"QUALIFIER" "Character" "Description of the composition of the substance" "01/06/2015"
+"COM_NAME" "Character" "Component name as derived in the opinions used for the genotoxicity test. If more than one name is reported in the opinion (excluding IUPAC name), then the most common/most specific name is reported as component name" "FALSE" "01/06/2015"
+"COM_ECSUBINVENTENTRYREF" "Character" "Indicates the EC reference number as defined by ECHA" "TRUE" "01/06/2015"
+"COM_CASNUMBER" "Character" "Chemical Abstracts Service number" "TRUE" "01/06/2015"
+"IUPACNAME" "Character" "International Union of Pure and Applied Chemistry name" "TRUE" "01/06/2015"
+"COMPARAMNAME" "Character" "Description of the component EFSA PARAM catalogue" "FALSE" "01/06/2015"
+"MOLECULARFORMULA" "Character" "Molecular formula " "TRUE" "01/06/2015"
+"SMILESNOTATION" "Character" "Simplified molecular input line entry specification" "TRUE" "01/06/2015"
+"INCHI" "Character" "International Chemical Identifier" "TRUE" "01/06/2015"
+"COM_TYPE" "Character" "High level classfication of component type" "FALSE" "01/06/2015"
+"COM_STRUCTURESHOWN" "Character" "Indicates what type of structure (either SMILES or InChI) is reported" "FALSE" "01/06/2015"
+"SMILESNOTATIONSOURCE" "Character" "Source of the SMILES notation" "TRUE" "01/06/2015"
+"INCHI_NOTATIONSOURCE" "Character" "Source of the Inchi notation" "TRUE" "01/06/2015"
+"OpinionType" "Character" "Description of the type of reference" "FALSE" "01/06/2015"
+"OpinionAuthor" "Character" "Indicates the author/s of the publication" "TRUE" "01/06/2015"
+"OpinionTitle" "Character" "Indicates the title of the publication" "FALSE" "01/06/2015"
+"PUBLICATIONDATE" "Date" "Complete date of the publication of the document in the format yyyymmdd" "01/06/2015"
+"OpinionPubYear" "Numeric" "Year of the publication" "01/06/2015"
+"DOI" "Character" "Digital Object Identifier: the DOI is a permanent character string (a ""digital identifier"") used to uniquely identify an object such as an electronic document, source the study report or publication, URL or EFSA Journal" "TRUE" "01/06/2015"
+"DARAuthor" "Character" "Member state author of the Draft Assessment Report" "01/06/2015"
+"DARTitle" "Character" "Title of the of the Draft Assessment Report" "01/06/2015"
+"DARYear" "Character" "Year of the of the Draft Assessment Report" "01/06/2015"
+ \ No newline at end of file
diff --git a/models/mutagenicity/download/efsa_classification.rb b/models/mutagenicity/download/efsa_classification.rb
index edd17e3..1e4dace 100755
--- a/models/mutagenicity/download/efsa_classification.rb
+++ b/models/mutagenicity/download/efsa_classification.rb
@@ -1,4 +1,5 @@
#!/usr/bin/env ruby
+require 'csv'
require_relative "../../../lib/compound.rb"
# convert EFSA data to mutagenicity classifications
diff --git a/models/mutagenicity/parts/hansen.csv b/models/mutagenicity/download/hansen.csv
index 7a80d06..7a80d06 100644
--- a/models/mutagenicity/parts/hansen.csv
+++ b/models/mutagenicity/download/hansen.csv
diff --git a/models/mutagenicity/download/hansen_convert.rb b/models/mutagenicity/download/hansen_convert.rb
index fa351ea..fa351ea 100644..100755
--- a/models/mutagenicity/download/hansen_convert.rb
+++ b/models/mutagenicity/download/hansen_convert.rb
diff --git a/models/mutagenicity/metadata.json b/models/mutagenicity/metadata.json
new file mode 100644
index 0000000..fdff200
--- /dev/null
+++ b/models/mutagenicity/metadata.json
@@ -0,0 +1 @@
+{"species":"Salmonella typhimurium","endpoint":"Mutagenicity","source":"http://cheminformatics.org/datasets/bursi/cas_4337.zip, http://doc.ml.tu-berlin.de/toxbenchmark/Mutagenicity_N6512.csv, https://data.europa.eu/euodp/data/storage/f/2017-07-19T142131/GENOTOX data and dictionary.xls","qmrf":{"group":"QMRF 4.10. Mutagenicity","name":"OECD 471 Bacterial Reverse Mutation Test"}}
diff --git a/models/mutagenicity/parts/cas_4337.sdf b/models/mutagenicity/parts/cas_4337.sdf
deleted file mode 100644
index 997ccc6..0000000
--- a/models/mutagenicity/parts/cas_4337.sdf
+++ /dev/null
@@ -1,306261 +0,0 @@
-1728-95-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 0.9930 0.7047 -0.0023 C 0 0 0
- 0.9904 -0.6797 -0.0183 C 0 0 0
- 2.1763 1.5863 0.0260 C 0 0 0
- -0.3265 1.0961 -0.0241 N 0 0 0
- 2.1853 -1.5556 -0.0089 C 0 0 0
- -0.2892 -1.0865 -0.0434 N 0 0 0
- 2.3543 2.5541 -0.9657 C 0 0 0
- 3.1205 1.4608 1.0477 C 0 0 0
- -1.0833 -0.0400 -0.0522 C 0 0 0
- 2.2885 -2.5892 0.9220 C 0 0 0
- 3.2087 -1.3534 -0.9342 C 0 0 0
- 3.4621 3.3747 -0.9327 C 0 0 0
- 4.2238 2.2885 1.0680 C 0 0 0
- -2.5600 -0.0852 -0.0822 C 0 0 0
- 3.4035 -3.4017 0.9255 C 0 0 0
- 4.3191 -2.1728 -0.9208 C 0 0 0
- 4.3964 3.2413 0.0797 C 0 0 0
- -3.2155 -1.0263 -0.8784 C 0 0 0
- -3.3037 0.8097 0.6903 C 0 0 0
- 4.4181 -3.1929 0.0081 C 0 0 0
- -4.5930 -1.0652 -0.9036 C 0 0 0
- -4.6805 0.7643 0.6595 C 0 0 0
- -5.3289 -0.1699 -0.1384 C 0 0 0
- -6.6864 -0.2111 -0.1663 O 0 0 0
- -7.1490 0.8177 0.7110 C 0 0 0
- -0.6656 2.0327 0.0000 H 0 0 0
- 1.5090 3.0812 0.0000 H 0 0 0
- 3.3725 0.4971 0.0000 H 0 0 0
- 1.4242 -3.0844 0.0000 H 0 0 0
- 3.4264 -0.3813 0.0000 H 0 0 0
- 3.2177 4.3404 0.0000 H 0 0 0
- 5.0714 1.7651 0.0000 H 0 0 0
- 3.1925 -4.3753 0.0000 H 0 0 0
- 5.1856 -1.6814 0.0000 H 0 0 0
- 5.2043 3.8240 0.0000 H 0 0 0
- -2.7420 -1.9027 0.0000 H 0 0 0
- -2.8955 1.7184 0.0000 H 0 0 0
- 5.2197 -3.7842 0.0000 H 0 0 0
- -5.0058 -1.9718 0.0000 H 0 0 0
- -5.1568 1.6392 0.0000 H 0 0 0
- -6.2405 1.2262 0.0000 H 0 0 0
- -7.5575 1.7262 0.0000 H 0 0 0
- -8.0575 0.4092 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 1 0
- 14 18 2 0
- 14 19 1 0
- 15 20 1 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 23 24 1 0
- 24 25 1 0
- 6 9 2 0
- 13 17 2 0
- 16 20 2 0
- 22 23 1 0
- 4 26 1 0
- 7 27 1 0
- 8 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 25 41 1 0
- 25 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-08-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.2094 -0.1551 -0.0022 C 0 0 0
- -0.0001 -0.8598 -0.0013 C 0 0 0
- 1.1979 1.3183 -0.0020 C 0 0 0
- 2.3609 -0.8109 0.0024 N 0 0 0
- -1.2094 -0.1551 -0.0003 C 0 0 0
- -0.0001 -2.3668 -0.0020 C 0 0 0
- -0.0002 2.0035 -0.0010 C 0 0 0
- 3.4398 -0.1795 0.0016 C 0 0 0
- -1.1978 1.3185 -0.0002 C 0 0 0
- -2.3609 -0.8109 0.0001 N 0 0 0
- 4.4823 0.4306 0.0009 O 0 0 0
- -3.4397 -0.1795 0.0009 C 0 0 0
- -4.4823 0.4307 0.0018 O 0 0 0
- 2.0909 1.8410 0.0000 H 0 0 0
- -1.0348 -2.3668 0.0000 H 0 0 0
- -0.0001 -3.4015 0.0000 H 0 0 0
- 1.0346 -2.3668 0.0000 H 0 0 0
- -0.0002 3.0382 0.0000 H 0 0 0
- -2.0908 1.8412 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 8 11 2 0
- 10 12 2 0
- 12 13 2 0
- 7 9 2 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89786-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 0.1612 -0.5127 -0.0845 C 0 0 1
- -1.3114 -0.6982 0.3343 C 0 0 1
- 0.1698 1.2804 -0.5072 S 0 0 0
- 1.1089 -0.8112 1.0790 C 0 0 0
- 0.5013 -1.3703 -1.3051 C 0 0 0
- -2.2274 0.2787 -0.2407 N 0 0 0
- -1.7577 -2.0759 -0.0826 C 0 0 0
- -1.6205 1.4722 -0.8579 C 0 0 1
- 0.5027 2.0326 0.6515 O 0 0 0
- 0.9050 1.4745 -1.7077 O 0 0 0
- 2.4812 -0.4789 0.6886 N 0 0 0
- -3.0365 0.9487 0.6271 C 0 0 0
- -2.7165 -2.2185 -1.0110 O 0 0 0
- -1.2523 -3.0521 0.4188 O 0 0 0
- -2.3182 2.2264 0.2696 C 0 0 0
- 3.1066 0.6996 0.9149 C 0 0 0
- 3.3012 -1.2596 0.0763 N 0 0 0
- -3.9464 0.6468 1.3700 O 0 0 0
- 4.3491 0.5733 0.3933 C 0 0 0
- 4.4234 -0.6612 -0.1165 N 0 0 0
- -0.9952 0.1786 0.0000 H 0 0 0
- 0.5464 -1.5545 0.0000 H 0 0 0
- 1.6199 -1.5907 0.0000 H 0 0 0
- -0.3652 -1.7139 0.0000 H 0 0 0
- 0.8449 -2.2368 0.0000 H 0 0 0
- 1.3678 -1.0267 0.0000 H 0 0 0
- -1.2021 2.3051 0.0000 H 0 0 0
- -3.6385 -2.3556 0.0000 H 0 0 0
- -1.7034 2.9270 0.0000 H 0 0 0
- -3.0789 2.7651 0.0000 H 0 0 0
- 2.6673 1.5217 0.0000 H 0 0 0
- 5.0216 1.2187 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 3 10 2 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 2 0
- 8 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 2 0
- 16 19 2 0
- 17 20 2 0
- 6 8 1 0
- 12 15 1 0
- 19 20 1 0
- 2 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 5 26 1 0
- 8 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2439-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 1.6883 -0.0980 0.0613 C 0 0 0
- 0.3962 0.0818 0.4005 O 0 0 0
- 2.6228 1.0354 0.1004 C 0 0 0
- 2.0817 -1.1986 -0.2719 O 0 0 0
- -0.5271 -1.0382 0.3618 C 0 0 0
- 3.8985 0.8579 -0.2344 C 0 0 0
- -1.9185 -0.5670 0.7895 C 0 0 0
- -2.3833 0.4826 -0.1272 N 0 0 0
- -2.5682 -0.1536 -1.4383 C 0 0 0
- -3.7166 0.8884 0.3369 C 0 0 0
- 2.2676 1.9471 0.0000 H 0 0 0
- -0.9505 -1.9203 0.0000 H 0 0 0
- 0.2974 -1.5649 0.0000 H 0 0 0
- 4.2663 -0.0488 0.0000 H 0 0 0
- 4.4998 1.6297 0.0000 H 0 0 0
- -2.8830 -0.7316 0.0000 H 0 0 0
- -1.9954 -1.5424 0.0000 H 0 0 0
- -3.5077 0.1195 0.0000 H 0 0 0
- -2.8413 -1.0931 0.0000 H 0 0 0
- -1.6287 -0.4267 0.0000 H 0 0 0
- -3.4317 1.8244 0.0000 H 0 0 0
- -4.6526 1.1733 0.0000 H 0 0 0
- -4.0015 -0.0476 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-94-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.1979 0.6922 0.0026 C 0 0 0
- -1.1979 -0.6922 0.0010 C 0 0 0
- 0.0002 1.3839 0.0028 C 0 0 0
- -2.7013 1.5602 -0.0027 Cl 0 0 0
- 0.0002 -1.3839 -0.0006 C 0 0 0
- -2.7013 -1.5602 0.0014 Cl 0 0 0
- 1.1978 0.6924 0.0013 C 0 0 0
- 1.1978 -0.6924 -0.0004 C 0 0 0
- 2.7013 1.5604 0.0009 Cl 0 0 0
- 2.7013 -1.5604 -0.0018 Cl 0 0 0
- 0.0002 2.4223 0.0000 H 0 0 0
- 0.0002 -2.4223 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 7 8 1 0
- 3 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120314-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.0162 -0.8420 -0.2140 C 0 0 0
- -1.2620 -0.3133 0.0305 C 0 0 0
- 0.9060 0.3113 -0.4144 C 0 0 0
- 0.2070 -2.2221 -0.2297 C 0 0 0
- -1.1473 1.0699 -0.0199 N 0 0 0
- -2.3255 -1.1733 0.2597 C 0 0 0
- 0.1604 1.4152 -0.2877 C 0 0 0
- 2.3831 0.2597 -0.7085 C 0 0 0
- -0.8637 -3.0621 -0.0044 C 0 0 0
- -2.1159 1.9036 0.1560 N 0 0 0
- -2.1224 -2.5391 0.2464 C 0 0 0
- 3.1655 0.2700 0.6063 C 0 0 0
- -1.9075 3.1019 0.0906 O 0 0 0
- 4.5662 0.2211 0.3275 O 0 0 0
- 1.1580 -2.6065 0.0000 H 0 0 0
- -3.2813 -0.8008 0.0000 H 0 0 0
- 0.5211 2.3755 0.0000 H 0 0 0
- 1.8535 -0.6188 0.0000 H 0 0 0
- 2.8934 -0.6301 0.0000 H 0 0 0
- -0.7249 -4.0785 0.0000 H 0 0 0
- -2.9313 -3.1699 0.0000 H 0 0 0
- 3.6951 1.1485 0.0000 H 0 0 0
- 2.6551 1.1598 0.0000 H 0 0 0
- 5.5914 0.1853 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 11 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-42-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -2.3227 -0.1670 0.0877 C 0 0 0
- -3.5568 0.5728 0.0018 C 0 0 0
- -1.0196 0.5151 0.1363 C 0 0 0
- -2.4176 -1.5428 0.1283 C 0 0 0
- -4.6985 -0.1418 -0.0368 C 0 0 0
- 0.1161 -0.2062 0.2165 N 0 0 0
- -0.9675 1.7300 0.1040 O 0 0 0
- -4.1243 -1.8254 0.0525 S 0 0 0
- -6.0912 0.3525 -0.1234 N 0 3 0
- 1.3575 0.4321 0.1298 C 0 0 0
- -7.0175 -0.4381 -0.1487 O 0 0 0
- -6.3109 1.5496 -0.1694 O 0 5 0
- 2.5243 -0.3196 0.0769 C 0 0 0
- 1.4258 1.8186 0.0907 C 0 0 0
- 3.7491 0.3142 -0.0086 C 0 0 0
- 2.6533 2.4464 0.0052 C 0 0 0
- 3.8135 1.6963 -0.0416 C 0 0 0
- 5.3386 -0.7077 -0.0801 Br 0 0 0
- -3.5668 1.6105 0.0000 H 0 0 0
- -1.6497 -2.2408 0.0000 H 0 0 0
- 0.0689 -1.2428 0.0000 H 0 0 0
- 2.4751 -1.3561 0.0000 H 0 0 0
- 0.5542 2.3817 0.0000 H 0 0 0
- 2.7058 3.4828 0.0000 H 0 0 0
- 4.7362 2.1710 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- 0.7711 -0.0680 -0.0126 C 0 0 0
- 0.6596 -1.4676 -0.0791 C 0 0 0
- 1.9914 0.5074 0.0154 O 0 0 0
- -0.3806 0.7037 0.0292 C 0 0 0
- 1.8970 -2.2693 -0.1170 C 0 0 0
- -0.5969 -2.0722 -0.1076 C 0 0 0
- 3.1241 -0.2116 -0.0182 C 0 0 0
- -1.6216 0.0883 0.0051 C 0 0 0
- 3.1269 -1.5696 -0.0836 C 0 0 0
- 1.8619 -3.4875 -0.1754 O 0 0 0
- -1.7225 -1.2987 -0.0705 C 0 0 0
- 4.4177 0.5000 0.0158 C 0 0 0
- -2.7486 0.8440 0.0465 O 0 0 0
- 5.4798 -0.0110 0.7646 C 0 0 0
- 4.5862 1.6842 -0.7055 C 0 0 0
- -3.8541 -0.0606 0.0077 C 0 0 0
- 6.6856 0.6586 0.7915 C 0 0 0
- 5.7971 2.3432 -0.6696 C 0 0 0
- -5.1429 0.7191 0.0510 C 0 0 0
- 6.8439 1.8339 0.0789 C 0 0 0
- -6.3193 0.0732 0.0251 O 0 0 0
- -5.1174 1.9257 0.1091 O 0 0 0
- -7.5611 0.8245 0.0668 C 0 0 0
- -8.7448 -0.1441 0.0254 C 0 0 0
- -0.3134 1.7357 0.0000 H 0 0 0
- -0.6762 -3.1033 0.0000 H 0 0 0
- 4.0214 -2.0886 0.0000 H 0 0 0
- -2.6546 -1.7467 0.0000 H 0 0 0
- 5.5100 -1.0448 0.0000 H 0 0 0
- 3.7367 2.2740 0.0000 H 0 0 0
- -4.4863 -0.8790 0.0000 H 0 0 0
- -3.1126 -0.7816 0.0000 H 0 0 0
- 7.5398 0.0756 0.0000 H 0 0 0
- 5.7735 3.3771 0.0000 H 0 0 0
- 7.7554 2.3225 0.0000 H 0 0 0
- -6.9289 1.6429 0.0000 H 0 0 0
- -8.3026 1.5455 0.0000 H 0 0 0
- -9.3997 0.6563 0.0000 H 0 0 0
- -9.5452 -0.7990 0.0000 H 0 0 0
- -8.0899 -0.9445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 12 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 2 0
- 19 21 1 0
- 19 22 2 0
- 21 23 1 0
- 23 24 1 0
- 7 9 2 0
- 8 11 2 0
- 18 20 1 0
- 4 25 1 0
- 6 26 1 0
- 9 27 1 0
- 11 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 23 36 1 0
- 23 37 1 0
- 24 38 1 0
- 24 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-614-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.2205 0.1139 -0.0010 C 0 0 0
- -1.1629 0.3028 -0.0002 N 0 0 0
- 1.0734 1.2114 0.0003 C 0 0 0
- 0.7478 -1.1716 0.0027 C 0 0 0
- -1.9530 -0.7168 -0.0014 N 0 0 0
- -1.7170 1.6590 0.0020 C 0 0 0
- 2.4408 1.0208 -0.0005 C 0 0 0
- 2.1167 -1.3546 0.0019 C 0 0 0
- -3.1598 -0.5521 -0.0007 O 0 0 0
- 2.9622 -0.2604 -0.0027 C 0 0 0
- 0.6830 2.1724 0.0000 H 0 0 0
- 0.1141 -1.9928 0.0000 H 0 0 0
- -0.7568 2.0513 0.0000 H 0 0 0
- -2.1093 2.6192 0.0000 H 0 0 0
- -2.6772 1.2667 0.0000 H 0 0 0
- 3.0779 1.8393 0.0000 H 0 0 0
- 2.5111 -2.3140 0.0000 H 0 0 0
- 3.9899 -0.4007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77996-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- 0.3943 -0.0503 -0.0533 C 0 0 0
- -0.9803 -0.0260 0.0944 C 0 0 0
- 1.0605 1.1964 -0.0717 C 0 0 0
- 1.0947 -1.2274 -0.1835 N 0 0 0
- -1.6963 1.1703 0.2128 C 0 0 0
- -1.9767 -1.1510 0.1729 C 0 0 0
- 2.5246 1.2021 -0.2161 C 0 0 0
- 0.3456 2.3959 0.0480 C 0 0 0
- 2.4672 -1.2733 -0.0349 C 0 0 0
- 0.3669 -2.4623 -0.4865 C 0 0 0
- -3.0190 0.9401 0.3341 O 0 0 0
- -1.0325 2.4039 0.1918 C 0 0 0
- -3.2301 -0.4291 0.7293 C 0 0 0
- 3.2223 -0.0876 -0.0457 C 0 0 0
- 3.1347 2.2265 -0.4659 O 0 0 0
- 1.0173 3.5744 0.0230 O 0 0 0
- 3.1177 -2.4935 0.1266 C 0 0 0
- -4.4813 -0.9728 0.0366 C 0 0 0
- 4.6088 -0.1384 0.1025 C 0 0 0
- 4.4874 -2.5292 0.2719 C 0 0 0
- -5.8342 -0.3872 0.4460 C 0 0 0
- -5.2160 -0.0825 -0.8058 O 0 0 0
- -4.4335 -2.4508 -0.3560 C 0 0 0
- 5.2321 -1.3559 0.2639 C 0 0 0
- -2.5552 -2.0150 0.0000 H 0 0 0
- -1.1536 -1.7864 0.0000 H 0 0 0
- -0.5289 -1.9344 0.0000 H 0 0 0
- -0.1610 -3.3581 0.0000 H 0 0 0
- 1.2627 -2.9902 0.0000 H 0 0 0
- -1.5632 3.2981 0.0000 H 0 0 0
- -3.2886 -1.4673 0.0000 H 0 0 0
- 1.5322 4.4778 0.0000 H 0 0 0
- 2.5711 -3.3780 0.0000 H 0 0 0
- 5.1674 0.7386 0.0000 H 0 0 0
- 4.9764 -3.4469 0.0000 H 0 0 0
- -6.4983 0.4129 0.0000 H 0 0 0
- -6.4579 -1.2192 0.0000 H 0 0 0
- -5.4728 -2.4844 0.0000 H 0 0 0
- -4.3999 -3.4901 0.0000 H 0 0 0
- -3.3942 -2.4172 0.0000 H 0 0 0
- 6.2708 -1.4039 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 13 18 1 0
- 14 19 1 0
- 17 20 2 0
- 18 21 1 0
- 18 22 1 0
- 18 23 1 0
- 19 24 2 0
- 8 12 2 0
- 9 14 2 0
- 11 13 1 0
- 20 24 1 0
- 21 22 1 0
- 6 25 1 0
- 6 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 13 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 23 38 1 0
- 23 39 1 0
- 23 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-01-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 48 1 V2000
- 5.0094 -0.3759 -0.0078 C 0 0 0
- 5.6036 -0.0475 1.1966 C 0 0 0
- 5.6064 -0.0030 -1.1973 C 0 0 0
- 3.7141 -1.1458 -0.0238 C 0 0 0
- 6.7946 0.6536 1.2111 C 0 0 0
- 6.7978 0.6984 -1.1828 C 0 0 0
- 2.5386 -0.1667 -0.0035 C 0 0 0
- 7.3918 1.0266 0.0213 C 0 0 0
- 1.2234 -0.9484 -0.0197 C 0 0 0
- 0.0479 0.0307 0.0006 C 0 0 0
- -1.2672 -0.7510 -0.0156 C 0 0 0
- -2.4427 0.2282 0.0047 C 0 0 0
- -3.7579 -0.5535 -0.0115 C 0 0 0
- -4.9334 0.4256 0.0088 C 0 0 0
- -6.2485 -0.3561 -0.0074 C 0 0 0
- -7.4240 0.6230 0.0128 C 0 0 0
- -8.7392 -0.1587 -0.0034 C 0 0 0
- -9.9147 0.8205 0.0169 C 0 0 0
- 6.1722 -1.0441 0.0000 H 0 0 0
- 5.0114 0.9780 0.0000 H 0 0 0
- 2.8848 -1.9387 0.0000 H 0 0 0
- 4.4081 -2.0595 0.0000 H 0 0 0
- 7.3896 -0.3275 0.0000 H 0 0 0
- 6.2292 1.6950 0.0000 H 0 0 0
- 3.3679 0.6262 0.0000 H 0 0 0
- 1.8446 0.7470 0.0000 H 0 0 0
- 8.3809 1.6082 0.0000 H 0 0 0
- 0.3941 -1.7413 0.0000 H 0 0 0
- 1.9174 -1.8621 0.0000 H 0 0 0
- 0.8772 0.8236 0.0000 H 0 0 0
- -0.6461 0.9444 0.0000 H 0 0 0
- -2.0965 -1.5439 0.0000 H 0 0 0
- -0.5732 -1.6647 0.0000 H 0 0 0
- -1.6133 1.0211 0.0000 H 0 0 0
- -3.1367 1.1419 0.0000 H 0 0 0
- -4.5872 -1.3464 0.0000 H 0 0 0
- -3.0639 -1.4672 0.0000 H 0 0 0
- -4.1041 1.2185 0.0000 H 0 0 0
- -5.6274 1.3393 0.0000 H 0 0 0
- -7.0778 -1.1490 0.0000 H 0 0 0
- -5.5545 -1.2698 0.0000 H 0 0 0
- -6.5947 1.4159 0.0000 H 0 0 0
- -8.1180 1.5367 0.0000 H 0 0 0
- -9.5686 -0.9516 0.0000 H 0 0 0
- -8.0452 -1.0724 0.0000 H 0 0 0
- -9.1803 1.7021 0.0000 H 0 0 0
- -10.7963 1.5549 0.0000 H 0 0 0
- -10.6491 -0.0611 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 6 8 2 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 13 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 18 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53478-38-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 2.1134 0.0362 -0.7507 C 0 0 0
- 2.5117 -1.2683 -0.3955 C 0 0 0
- 2.8791 1.1126 -0.2601 C 0 0 0
- 1.0156 0.2515 -1.5555 N 0 0 0
- 3.6518 -1.4489 0.4308 C 0 0 0
- 1.7959 -2.3899 -0.8473 C 0 0 0
- 4.0067 0.8493 0.5616 C 0 0 0
- 2.5415 2.4404 -0.5726 C 0 0 0
- -0.2512 0.4114 -0.9827 C 0 0 0
- 4.3458 -0.4008 0.8721 N 0 0 0
- 4.0392 -2.7591 0.7786 C 0 0 0
- 2.2023 -3.6381 -0.4887 C 0 0 0
- 4.7641 1.9356 1.0457 C 0 0 0
- 3.2982 3.4608 -0.0849 C 0 0 0
- -1.3580 0.6285 -1.7940 C 0 0 0
- -0.4030 0.3475 0.3963 C 0 0 0
- 3.3224 -3.8200 0.3222 C 0 0 0
- 4.4072 3.2065 0.7219 C 0 0 0
- -2.6075 0.7858 -1.2290 C 0 0 0
- -1.6530 0.5049 0.9613 C 0 0 0
- -2.7585 0.7271 0.1506 C 0 0 0
- -4.0250 0.8870 0.7232 N 0 0 0
- -5.2427 -0.1709 0.3485 S 0 0 0
- -4.6916 -1.7220 1.1107 C 0 0 0
- -6.3601 0.3802 1.0317 O 0 0 0
- -5.1803 -0.2334 -1.0698 O 0 0 0
- 1.1670 1.1922 0.0000 H 0 0 0
- 0.8508 -2.2696 0.0000 H 0 0 0
- 1.6067 2.6246 0.0000 H 0 0 0
- 4.9808 -2.9046 0.0000 H 0 0 0
- 1.5823 -4.3616 0.0000 H 0 0 0
- 5.7035 1.7767 0.0000 H 0 0 0
- 2.9682 4.3546 0.0000 H 0 0 0
- -1.2067 1.5692 0.0000 H 0 0 0
- -0.2733 -0.5964 0.0000 H 0 0 0
- 3.7003 -4.6946 0.0000 H 0 0 0
- 5.0644 3.8963 0.0000 H 0 0 0
- -2.7242 1.7314 0.0000 H 0 0 0
- -1.8065 -0.4354 0.0000 H 0 0 0
- -4.3019 1.7987 0.0000 H 0 0 0
- -5.5894 -2.0410 0.0000 H 0 0 0
- -4.3726 -2.6198 0.0000 H 0 0 0
- -3.7938 -1.4030 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 23 26 2 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 20 21 2 0
- 4 27 1 0
- 6 28 1 0
- 8 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 22 40 1 0
- 24 41 1 0
- 24 42 1 0
- 24 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1836-75-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.2481 0.9392 0.8230 C 0 0 0
- 0.1853 1.7219 1.1476 O 0 0 0
- 1.6565 0.8350 -0.4998 C 0 0 0
- 1.9299 0.2479 1.8138 C 0 0 0
- -0.9322 1.0270 0.8087 C 0 0 0
- 2.7378 0.0382 -0.8272 C 0 0 0
- 0.8099 1.7039 -1.7415 Cl 0 0 0
- 3.0098 -0.5471 1.4821 C 0 0 0
- -2.1787 1.6298 0.8968 C 0 0 0
- -0.8281 -0.2849 0.3684 C 0 0 0
- 3.4122 -0.6546 0.1624 C 0 0 0
- -3.3133 0.9212 0.5511 C 0 0 0
- -1.9655 -0.9888 0.0241 C 0 0 0
- 4.7694 -1.6550 -0.2512 Cl 0 0 0
- -3.2072 -0.3874 0.1178 C 0 0 0
- -4.4245 -1.1443 -0.2514 N 0 3 0
- -4.3323 -2.2972 -0.6333 O 0 0 0
- -5.5183 -0.6142 -0.1733 O 0 5 0
- 1.2839 -0.4984 0.0000 H 0 0 0
- 3.3864 0.7822 0.0000 H 0 0 0
- 2.5824 -1.4368 0.0000 H 0 0 0
- -2.2319 2.6154 0.0000 H 0 0 0
- 0.0525 -0.7308 0.0000 H 0 0 0
- -4.1952 1.3645 0.0000 H 0 0 0
- -1.9146 -1.9745 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 15 16 1 0
- 16 17 2 0
- 16 18 1 0
- 8 11 1 0
- 13 15 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-329-71-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.5145 0.1292 -0.0097 C 0 0 0
- -0.7644 -1.0255 0.0986 C 0 0 0
- -0.8856 1.3554 -0.1250 C 0 0 0
- -2.9927 0.0536 -0.0085 N 0 3 0
- 0.6213 -0.9545 0.0917 C 0 0 0
- 0.4949 1.4289 -0.1321 C 0 0 0
- -3.6547 1.0715 -0.1039 O 0 0 0
- -3.5472 -1.0266 0.0880 O 0 5 0
- 1.2497 0.2767 -0.0241 C 0 0 0
- 1.3615 -2.0892 0.1985 O 0 0 0
- 2.7278 0.3560 -0.0323 N 0 3 0
- 3.2945 1.2271 0.6030 O 0 0 0
- 3.3773 -0.4498 -0.6744 O 0 5 0
- -1.2339 -1.9457 0.0000 H 0 0 0
- -1.4475 2.2223 0.0000 H 0 0 0
- 0.9617 2.3505 0.0000 H 0 0 0
- 1.9259 -2.9544 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-64-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 1.0729 -0.2299 -0.8280 C 0 0 0
- -0.2382 -0.5501 -0.1575 C 0 0 0
- 2.1214 0.1033 0.2353 C 0 0 0
- -1.3116 0.2252 -0.3779 O 0 0 0
- -0.3232 -1.5046 0.5784 O 0 0 0
- 3.5202 -0.0147 -0.3733 C 0 0 0
- 1.9025 1.5319 0.7373 C 0 0 0
- -2.5749 -0.0833 0.2681 C 0 0 0
- -3.6260 0.9473 -0.1490 C 0 0 0
- 0.8138 -1.1985 0.0000 H 0 0 0
- 1.7981 -0.9223 0.0000 H 0 0 0
- 2.2332 -0.8931 0.0000 H 0 0 0
- 3.4359 -1.0138 0.0000 H 0 0 0
- 4.5193 -0.0990 0.0000 H 0 0 0
- 3.6045 0.9844 0.0000 H 0 0 0
- 2.8936 1.6838 0.0000 H 0 0 0
- 1.7506 2.5230 0.0000 H 0 0 0
- 0.9114 1.3800 0.0000 H 0 0 0
- -3.3967 -0.6577 0.0000 H 0 0 0
- -2.1617 -0.9969 0.0000 H 0 0 0
- -2.9240 1.6632 0.0000 H 0 0 0
- -4.3419 1.6493 0.0000 H 0 0 0
- -4.3280 0.2314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 8 9 1 0
- 1 10 1 0
- 1 11 1 0
- 3 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146177-59-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4502 -0.7688 -0.0017 C 0 0 0
- -1.0091 -0.8344 -0.0008 C 0 0 0
- 1.0661 0.4855 -0.0013 C 0 0 0
- 1.4297 -1.7015 0.0026 N 0 0 0
- -1.7450 0.3769 0.0002 C 0 0 0
- -1.6530 -2.0005 -0.0016 N 0 0 0
- 0.2961 1.6513 -0.0003 C 0 0 0
- 2.4289 0.2435 -0.0018 N 0 0 0
- 2.5998 -1.1093 -0.0002 C 0 0 0
- -1.0601 1.6068 0.0010 C 0 0 0
- -3.0814 0.3325 0.0010 N 0 0 0
- -2.9686 -2.0192 -0.0012 C 0 0 0
- 0.9882 2.9900 0.0000 C 0 0 0
- 3.4905 1.2532 -0.0017 C 0 0 0
- 3.8182 -1.7565 0.0028 N 0 0 0
- -1.8449 2.8933 0.0016 C 0 0 0
- -3.6955 -0.8298 0.0007 C 0 0 0
- -3.4699 -2.9282 0.0000 H 0 0 0
- 1.9103 2.5133 0.0000 H 0 0 0
- 1.4649 3.9121 0.0000 H 0 0 0
- 0.0661 3.4667 0.0000 H 0 0 0
- 4.2059 0.5010 0.0000 H 0 0 0
- 4.2427 1.9686 0.0000 H 0 0 0
- 2.7751 2.0054 0.0000 H 0 0 0
- 3.8549 -2.7939 0.0000 H 0 0 0
- 4.6983 -1.2060 0.0000 H 0 0 0
- -0.9587 3.4339 0.0000 H 0 0 0
- -2.3855 3.7795 0.0000 H 0 0 0
- -2.7311 2.3527 0.0000 H 0 0 0
- -4.7331 -0.8622 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 7 10 2 0
- 8 9 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106264-79-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 1.2014 -0.1676 -0.0036 C 0 0 0
- 0.0001 -0.8613 -0.0027 C 0 0 0
- 1.2011 1.2266 -0.0021 C 0 0 0
- 2.7275 -1.0483 0.0009 S 0 0 0
- -1.2015 -0.1674 -0.0004 C 0 0 0
- 0.0001 1.9198 0.0002 C 0 0 0
- 2.4161 1.9284 -0.0025 N 0 0 0
- 2.1073 -2.7530 0.0055 C 0 0 0
- -1.2012 1.2264 0.0010 C 0 0 0
- -2.7275 -1.0482 0.0001 S 0 0 0
- 0.0001 3.4268 0.0017 C 0 0 0
- -2.4161 1.9281 0.0033 N 0 0 0
- -2.1074 -2.7529 -0.0029 C 0 0 0
- 0.0001 -1.9135 0.0000 H 0 0 0
- 3.3275 1.4025 0.0000 H 0 0 0
- 2.4159 2.9806 0.0000 H 0 0 0
- 1.1185 -2.3932 0.0000 H 0 0 0
- 1.7475 -3.7418 0.0000 H 0 0 0
- 3.0961 -3.1128 0.0000 H 0 0 0
- 1.0523 3.4268 0.0000 H 0 0 0
- 0.0001 4.4790 0.0000 H 0 0 0
- -1.0521 3.4268 0.0000 H 0 0 0
- -2.4159 2.9803 0.0000 H 0 0 0
- -3.3275 1.4021 0.0000 H 0 0 0
- -3.0962 -3.1126 0.0000 H 0 0 0
- -1.7477 -3.7417 0.0000 H 0 0 0
- -1.1186 -2.3932 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 1 0
- 6 9 1 0
- 2 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88488-97-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -0.4255 0.5937 -0.0036 C 0 0 0
- -0.6825 -0.7995 -0.0029 C 0 0 0
- 0.9661 1.0837 -0.0022 C 0 0 0
- -1.4742 1.4982 0.0001 C 0 0 0
- 0.4437 -1.7528 -0.0007 C 0 0 0
- -1.9853 -1.2687 -0.0039 C 0 0 0
- 2.0343 0.1701 -0.0005 C 0 0 0
- 1.2276 2.4552 -0.0031 C 0 0 0
- -2.7954 1.0338 0.0043 C 0 0 0
- 1.7669 -1.2797 0.0007 C 0 0 0
- 0.2025 -3.1274 0.0004 C 0 0 0
- -3.0534 -0.3625 -0.0058 C 0 0 0
- 3.3466 0.6432 0.0004 C 0 0 0
- 2.5277 2.9071 -0.0022 C 0 0 0
- -3.8779 1.9341 0.0088 C 0 0 0
- 2.8248 -2.1903 0.0033 C 0 0 0
- 1.2601 -4.0101 0.0030 C 0 0 0
- -4.3864 -0.8155 -0.0063 C 0 0 0
- 3.5875 2.0048 -0.0004 C 0 0 0
- -5.1514 1.4571 0.0132 C 0 0 0
- 2.5662 -3.5433 0.0045 C 0 0 0
- -5.4049 0.0855 -0.0076 C 0 0 0
- 4.8661 2.4646 0.0005 O 0 0 0
- -1.2798 2.5267 0.0000 H 0 0 0
- -2.1716 -2.2987 0.0000 H 0 0 0
- 0.4354 3.1393 0.0000 H 0 0 0
- -0.7805 -3.4871 0.0000 H 0 0 0
- 4.1472 -0.0311 0.0000 H 0 0 0
- 2.7206 3.9359 0.0000 H 0 0 0
- -3.7032 2.9661 0.0000 H 0 0 0
- 3.8131 -1.8456 0.0000 H 0 0 0
- 1.0767 -5.0406 0.0000 H 0 0 0
- -4.5926 -1.8417 0.0000 H 0 0 0
- -5.9536 2.1295 0.0000 H 0 0 0
- 3.3612 -4.2241 0.0000 H 0 0 0
- -6.3945 -0.2555 0.0000 H 0 0 0
- 5.8510 2.8188 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 2 0
- 18 22 2 0
- 19 23 1 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 21 1 0
- 20 22 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61203-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 1.6947 -0.2675 -0.0016 C 0 0 0
- 0.5343 0.6242 0.0001 C 0 0 0
- 3.0873 0.3083 -0.0014 C 0 0 0
- 1.5355 -1.4702 0.0019 O 0 0 0
- 0.7095 1.9478 0.0018 C 0 0 0
- -1.2132 -0.0983 -0.0002 Br 0 0 0
- 3.5067 -0.7060 0.0000 H 0 0 0
- 4.1016 0.7277 0.0000 H 0 0 0
- 2.6679 1.3226 0.0000 H 0 0 0
- 1.7238 2.3671 0.0000 H 0 0 0
- -0.1608 2.6166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-24-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 0.6456 -0.4103 0.0000 C 0 0 0
- -0.6456 0.4103 0.0000 C 0 0 0
- 1.8018 0.4960 0.0000 N 0 0 0
- -1.8018 -0.4960 0.0000 N 0 0 0
- 3.0020 -0.3510 0.0000 C 0 0 0
- -3.0020 0.3510 0.0000 C 0 0 0
- 4.2504 0.5336 0.0000 C 0 0 0
- -4.2504 -0.5336 0.0000 C 0 0 0
- 5.4507 -0.3133 0.0000 N 0 0 0
- -5.4507 0.3133 0.0000 N 0 0 0
- -0.0467 -1.2674 0.0000 H 0 0 0
- 1.4190 -1.1951 0.0000 H 0 0 0
- 0.0467 1.2674 0.0000 H 0 0 0
- -1.4190 1.1951 0.0000 H 0 0 0
- 1.7741 1.5975 0.0000 H 0 0 0
- -1.7741 -1.5975 0.0000 H 0 0 0
- 2.2690 -1.1736 0.0000 H 0 0 0
- 3.7365 -1.1722 0.0000 H 0 0 0
- -2.2690 1.1736 0.0000 H 0 0 0
- -3.7365 1.1722 0.0000 H 0 0 0
- 4.9833 1.3563 0.0000 H 0 0 0
- 3.5158 1.3548 0.0000 H 0 0 0
- -4.9833 -1.3563 0.0000 H 0 0 0
- -3.5158 -1.3548 0.0000 H 0 0 0
- 5.3507 -1.4106 0.0000 H 0 0 0
- 6.4509 0.1488 0.0000 H 0 0 0
- -5.3507 1.4106 0.0000 H 0 0 0
- -6.4509 -0.1488 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2849-98-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 1.8090 -0.3825 -0.0013 C 0 0 0
- 0.6256 0.2631 -0.0003 O 0 0 0
- 3.0635 0.3828 -0.0004 C 0 0 0
- 1.8383 -1.5975 0.0022 O 0 0 0
- -0.6139 -0.4931 -0.0011 C 0 0 0
- 3.0270 1.8894 0.0015 C 0 0 0
- 4.2317 -0.2546 -0.0014 C 0 0 0
- -1.8005 0.4728 0.0002 C 0 0 0
- -3.1067 -0.3240 -0.0006 C 0 0 0
- -4.2933 0.6418 0.0007 C 0 0 0
- -5.5994 -0.1550 -0.0001 C 0 0 0
- -1.4119 -1.2736 0.0000 H 0 0 0
- 0.0714 -1.3742 0.0000 H 0 0 0
- 4.1429 1.9164 0.0000 H 0 0 0
- 3.0000 3.0053 0.0000 H 0 0 0
- 1.9111 1.8624 0.0000 H 0 0 0
- 4.2586 -1.3705 0.0000 H 0 0 0
- 5.1846 0.3267 0.0000 H 0 0 0
- -1.0025 1.2533 0.0000 H 0 0 0
- -2.4858 1.3539 0.0000 H 0 0 0
- -3.9047 -1.1045 0.0000 H 0 0 0
- -2.4214 -1.2051 0.0000 H 0 0 0
- -3.4953 1.4223 0.0000 H 0 0 0
- -4.9786 1.5229 0.0000 H 0 0 0
- -6.1807 0.7979 0.0000 H 0 0 0
- -6.5523 -0.7363 0.0000 H 0 0 0
- -5.0181 -1.1079 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 1 0
- 7 3 2 0
- 8 5 1 0
- 9 8 1 0
- 10 9 1 0
- 11 10 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16423-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.0393 0.5275 0.0814 C 0 0 1
- -0.3422 -0.9453 -0.0808 C 0 0 1
- 1.4082 0.7729 -0.5563 C 0 0 2
- -1.0086 1.4045 -0.6070 C 0 0 0
- 0.0957 0.8547 1.4712 O 0 0 0
- 0.7057 -1.8223 0.6076 C 0 0 0
- -1.7111 -1.1907 0.5569 C 0 0 0
- -0.4026 -1.2957 -1.5689 C 0 0 0
- 2.4561 -0.1041 0.1320 C 0 0 0
- 1.7897 2.2457 -0.3942 C 0 0 0
- -2.3775 1.1591 0.0308 C 0 0 0
- 2.0746 -1.5768 -0.0301 C 0 0 0
- -2.7590 -0.3137 -0.1314 C 0 0 0
- 1.1403 -0.2352 0.0000 H 0 0 0
- -0.1731 2.0289 0.0000 H 0 0 0
- -1.4240 2.3613 0.0000 H 0 0 0
- 0.2729 1.8826 0.0000 H 0 0 0
- -0.1298 -2.4467 0.0000 H 0 0 0
- 1.1211 -2.7791 0.0000 H 0 0 0
- -2.5466 -1.8151 0.0000 H 0 0 0
- -1.2957 -2.1475 0.0000 H 0 0 0
- -1.4305 -1.1185 0.0000 H 0 0 0
- -0.5798 -2.3236 0.0000 H 0 0 0
- 0.6253 -1.4729 0.0000 H 0 0 0
- 3.4163 -0.5115 0.0000 H 0 0 0
- 3.0004 0.7856 0.0000 H 0 0 0
- 2.7994 1.9842 0.0000 H 0 0 0
- 2.0512 3.2554 0.0000 H 0 0 0
- 0.7800 2.5072 0.0000 H 0 0 0
- -2.4127 2.2015 0.0000 H 0 0 0
- -3.4143 1.2734 0.0000 H 0 0 0
- 2.1099 -2.6192 0.0000 H 0 0 0
- 3.1114 -1.6911 0.0000 H 0 0 0
- -3.7192 0.0937 0.0000 H 0 0 0
- -3.3033 -1.2034 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 12 1 0
- 11 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-90-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 2.6930 -0.2673 -0.1628 C 0 0 0
- 1.4108 -0.4809 0.1942 O 0 0 0
- 3.3973 0.9325 0.3102 C 0 0 0
- 3.2681 -1.0696 -0.8718 O 0 0 0
- 0.7149 -1.6664 -0.2732 C 0 0 0
- 2.6861 1.9242 1.1944 C 0 0 0
- 4.6632 1.1434 -0.0422 C 0 0 0
- -0.7147 -1.6667 0.2719 C 0 0 0
- -1.4109 -0.4812 -0.1951 O 0 0 0
- -2.6932 -0.2680 0.1620 C 0 0 0
- -3.3978 0.9318 -0.3106 C 0 0 0
- -3.2665 -1.0682 0.8748 O 0 0 0
- -2.6869 1.9240 -1.1944 C 0 0 0
- -4.6637 1.1422 0.0419 C 0 0 0
- 0.5434 -2.6261 0.0000 H 0 0 0
- 1.6294 -2.0042 0.0000 H 0 0 0
- 3.4783 2.4924 0.0000 H 0 0 0
- 2.1179 2.7164 0.0000 H 0 0 0
- 1.8939 1.3560 0.0000 H 0 0 0
- 5.2828 0.3907 0.0000 H 0 0 0
- 5.0053 2.0563 0.0000 H 0 0 0
- -1.6291 -2.0047 0.0000 H 0 0 0
- -0.5429 -2.6263 0.0000 H 0 0 0
- -1.8944 1.3562 0.0000 H 0 0 0
- -2.1191 2.7165 0.0000 H 0 0 0
- -3.4794 2.4918 0.0000 H 0 0 0
- -5.0061 2.0550 0.0000 H 0 0 0
- -5.2830 0.3893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 11 14 2 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50438-75-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -1.6038 0.0001 0.0295 C 0 0 0
- -0.9156 -1.2021 0.1358 C 0 0 0
- -0.9158 1.2021 0.1333 C 0 0 0
- -2.9837 -0.0002 -0.1869 N 0 0 0
- 0.4495 -1.1982 0.3441 C 0 0 0
- 0.4496 1.1987 0.3416 C 0 0 0
- -3.7078 1.2684 -0.2987 C 0 0 0
- -3.7069 -1.2690 -0.3021 C 0 0 0
- 1.1315 0.0005 0.4469 C 0 0 0
- 2.6213 0.0008 0.6743 C 0 0 0
- 3.3430 -0.0006 -0.6748 C 0 0 0
- 4.7557 -0.0004 -0.4593 O 0 0 0
- -1.4344 -2.0998 0.0000 H 0 0 0
- -1.4348 2.0997 0.0000 H 0 0 0
- 0.9720 -2.0937 0.0000 H 0 0 0
- 0.9719 2.0944 0.0000 H 0 0 0
- -2.8073 1.7824 0.0000 H 0 0 0
- -4.2218 2.1689 0.0000 H 0 0 0
- -4.6083 0.7544 0.0000 H 0 0 0
- -4.6077 -0.7556 0.0000 H 0 0 0
- -4.2203 -2.1698 0.0000 H 0 0 0
- -2.8061 -1.7824 0.0000 H 0 0 0
- 3.1408 0.8981 0.0000 H 0 0 0
- 2.1033 0.8990 0.0000 H 0 0 0
- 2.8235 -0.8979 0.0000 H 0 0 0
- 3.8609 -0.8988 0.0000 H 0 0 0
- 5.7925 -0.0003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-126983-60-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6345 -0.2313 -0.0015 C 0 0 0
- -0.7632 -0.3130 -0.0013 C 0 0 0
- 1.2442 1.0321 0.0000 C 0 0 0
- 1.4686 -1.4493 0.0029 C 0 0 0
- -1.4919 0.8978 0.0003 C 0 0 0
- -1.6526 -1.3571 -0.0025 N 0 0 0
- 2.7241 1.1152 -0.0002 C 0 0 0
- 0.5110 2.1388 0.0019 N 0 0 0
- 2.9313 -1.3364 0.0026 C 0 0 0
- 0.9432 -2.5462 0.0064 O 0 0 0
- -2.9128 0.5212 0.0002 C 0 0 0
- -0.8051 2.1074 0.0021 C 0 0 0
- -2.9479 -0.8864 -0.0016 C 0 0 0
- 3.5294 -0.1276 -0.0019 C 0 0 0
- 3.2739 2.1978 0.0006 O 0 0 0
- -4.1092 1.2304 0.0010 C 0 0 0
- -4.1943 -1.5093 -0.0025 C 0 0 0
- 4.8807 -0.0495 -0.0025 O 0 0 0
- -5.2612 0.5903 0.0000 N 0 0 0
- -5.3310 -0.7299 -0.0016 C 0 0 0
- 5.3720 -1.3914 -0.0041 C 0 0 0
- -1.3861 -2.3657 0.0000 H 0 0 0
- 3.5153 -2.2008 0.0000 H 0 0 0
- -1.3406 3.0026 0.0000 H 0 0 0
- -4.0946 2.2735 0.0000 H 0 0 0
- -4.2660 -2.5500 0.0000 H 0 0 0
- -6.2664 -1.1916 0.0000 H 0 0 0
- 4.3924 -1.7500 0.0000 H 0 0 0
- 5.7306 -2.3710 0.0000 H 0 0 0
- 6.3516 -1.0328 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 16 19 2 0
- 17 20 2 0
- 18 21 1 0
- 8 12 2 0
- 9 14 2 0
- 11 13 2 0
- 19 20 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 16 25 1 0
- 17 26 1 0
- 20 27 1 0
- 21 28 1 0
- 21 29 1 0
- 21 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-98-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.4274 0.5159 0.0020 C 0 0 0
- -0.4399 -0.5829 0.0001 C 0 0 0
- 1.8106 0.3054 0.0021 C 0 0 0
- -0.1124 1.8840 -0.0023 C 0 0 0
- 0.0759 -1.8639 -0.0016 C 0 0 0
- -2.1582 -0.3360 0.0005 Cl 0 0 0
- 2.3086 -0.9796 0.0004 C 0 0 0
- 0.6420 2.8334 -0.0006 O 0 0 0
- 1.4447 -2.0618 -0.0014 C 0 0 0
- 2.4604 1.1155 0.0000 H 0 0 0
- -1.1396 2.0370 0.0000 H 0 0 0
- -0.5656 -2.6806 0.0000 H 0 0 0
- 3.3352 -1.1368 0.0000 H 0 0 0
- 1.8268 -3.0275 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82-62-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.1578 -0.9136 -0.0025 C 0 0 0
- -1.2229 -0.7878 -0.0018 C 0 0 0
- 0.9542 0.2170 -0.0014 C 0 0 0
- 0.7791 -2.2571 0.0016 N 0 3 0
- -1.8034 0.4734 0.0001 C 0 0 0
- -2.0074 -1.8981 -0.0025 O 0 0 0
- 0.3735 1.4738 0.0000 C 0 0 0
- 2.6832 0.0602 -0.0023 Cl 0 0 0
- 1.0338 -2.8136 -1.0514 O 0 0 0
- 1.0356 -2.8062 1.0582 O 0 5 0
- -1.0043 1.6012 0.0012 C 0 0 0
- -3.5320 0.6339 0.0004 Cl 0 0 0
- 1.3752 2.8917 0.0008 Cl 0 0 0
- -2.6066 -2.7461 0.0000 H 0 0 0
- -1.4382 2.5446 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 7 11 1 0
- 6 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97606-15-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 23 1 V2000
- 0.7613 -2.0826 -0.3388 C 0 0 0
- -0.7613 -2.0826 -0.3387 C 0 0 0
- 1.4979 -0.7558 -0.1800 C 0 0 0
- 0.0002 -2.3420 0.8905 N 0 0 0
- -1.4979 -0.7559 -0.1794 C 0 0 0
- 0.7591 0.4190 -0.0391 C 0 0 0
- 2.8668 -0.6724 -0.1698 C 0 0 0
- -0.7591 0.4189 -0.0386 C 0 0 0
- -2.8668 -0.6725 -0.1696 C 0 0 0
- 1.4647 1.6043 0.1032 C 0 0 0
- 3.1589 1.0690 0.0392 S 0 0 0
- -1.4647 1.6043 0.1033 C 0 0 0
- -3.1589 1.0690 0.0390 S 0 0 0
- 1.4600 -2.9185 0.0000 H 0 0 0
- -1.4599 -2.9186 0.0000 H 0 0 0
- 0.0003 -3.4315 0.0000 H 0 0 0
- 3.5955 -1.4823 0.0000 H 0 0 0
- -3.5956 -1.4824 0.0000 H 0 0 0
- 1.0769 2.6224 0.0000 H 0 0 0
- -1.0769 2.6224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 9 13 1 0
- 2 4 1 0
- 6 8 1 0
- 10 11 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 4 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.6003 0.7999 0.3483 C 0 0 0
- -0.3745 -0.5691 0.1345 C 0 0 0
- 0.4644 1.6801 0.3915 C 0 0 0
- -1.9204 1.2342 0.5074 N 0 0 0
- 0.9240 -1.0369 -0.0393 C 0 0 0
- -1.5337 -1.4829 0.1050 C 0 0 0
- 1.7532 1.2075 0.2196 C 0 0 0
- -2.9855 0.4929 -0.1804 C 0 0 0
- 1.9832 -0.1448 0.0041 C 0 0 0
- -2.7570 -0.9881 -0.0350 C 0 0 0
- -1.3286 -2.9704 0.2326 C 0 0 0
- -4.3381 0.8608 0.4327 C 0 0 0
- -2.9837 0.8617 -1.6653 C 0 0 0
- 3.2550 -0.5961 -0.1648 O 0 0 0
- 4.1133 0.5423 -0.0693 C 0 0 0
- 5.5671 0.1017 -0.2514 C 0 0 0
- 0.2890 2.7038 0.0000 H 0 0 0
- -2.0706 2.2619 0.0000 H 0 0 0
- 1.1070 -2.0593 0.0000 H 0 0 0
- 2.5517 1.8717 0.0000 H 0 0 0
- -3.5712 -1.6329 0.0000 H 0 0 0
- -2.3575 -3.1123 0.0000 H 0 0 0
- -1.1867 -3.9993 0.0000 H 0 0 0
- -0.2997 -2.8285 0.0000 H 0 0 0
- -4.0655 1.8630 0.0000 H 0 0 0
- -5.3403 1.1334 0.0000 H 0 0 0
- -4.6107 -0.1414 0.0000 H 0 0 0
- -1.9451 0.8566 0.0000 H 0 0 0
- -2.9786 1.9003 0.0000 H 0 0 0
- -4.0223 0.8668 0.0000 H 0 0 0
- 4.5288 1.4942 0.0000 H 0 0 0
- 3.2165 1.0663 0.0000 H 0 0 0
- 5.2659 -0.8923 0.0000 H 0 0 0
- 6.5611 -0.1995 0.0000 H 0 0 0
- 5.8683 1.0957 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
- 9 14 1 0
- 14 15 1 0
- 15 16 1 0
- 7 9 1 0
- 8 10 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117-81-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 66 1 V2000
- 0.7448 -2.2612 -0.1230 C 0 0 0
- -0.6455 -2.0949 0.0219 C 0 0 0
- 1.5661 -1.1805 -0.7091 C 0 0 0
- 1.3427 -3.4474 0.2944 C 0 0 0
- -1.2935 -0.8388 -0.4121 C 0 0 0
- -1.4068 -3.1207 0.5760 C 0 0 0
- 2.5297 -0.5927 0.0260 O 0 0 0
- 1.3719 -0.8228 -1.8534 O 0 0 0
- 0.5715 -4.4527 0.8471 C 0 0 0
- -2.6073 -0.6457 -0.1860 O 0 0 0
- -0.6413 0.0188 -0.9725 O 0 0 0
- -0.7966 -4.2933 0.9798 C 0 0 0
- 3.3363 0.4686 -0.5496 C 0 0 0
- -3.2437 0.5879 -0.6122 C 0 0 0
- 4.3485 0.9595 0.4874 C 0 0 0
- -4.7268 0.5524 -0.2378 C 0 0 0
- 5.1984 2.0779 -0.1192 C 0 0 0
- 3.6046 1.4923 1.7136 C 0 0 0
- -5.3974 1.8522 -0.6869 C 0 0 0
- -5.3994 -0.6343 -0.9307 C 0 0 0
- 6.6618 1.6345 -0.1724 C 0 0 0
- 4.0699 0.7370 2.9602 C 0 0 0
- -5.9211 2.6054 0.5376 C 0 0 0
- -6.0921 -1.5100 0.1154 C 0 0 0
- 7.5281 2.7939 -0.6687 C 0 0 0
- -6.6937 3.8448 0.0819 C 0 0 0
- 8.9915 2.3506 -0.7219 C 0 0 0
- -7.2175 4.5980 1.3064 C 0 0 0
- 2.3363 -3.5408 0.0000 H 0 0 0
- -2.4017 -3.0416 0.0000 H 0 0 0
- 0.9603 -5.3719 0.0000 H 0 0 0
- -1.3630 -5.1150 0.0000 H 0 0 0
- 3.2522 1.4631 0.0000 H 0 0 0
- 2.3779 0.7470 0.0000 H 0 0 0
- -2.2981 0.9070 0.0000 H 0 0 0
- -3.4172 1.5707 0.0000 H 0 0 0
- 4.9809 0.1874 0.0000 H 0 0 0
- -5.7246 0.5720 0.0000 H 0 0 0
- 5.5987 2.9921 0.0000 H 0 0 0
- 4.3379 2.5835 0.0000 H 0 0 0
- 3.8324 2.4640 0.0000 H 0 0 0
- 2.6195 1.3324 0.0000 H 0 0 0
- -4.3994 1.8487 0.0000 H 0 0 0
- -4.9335 2.7359 0.0000 H 0 0 0
- -4.9841 -1.5418 0.0000 H 0 0 0
- -4.4023 -0.6774 0.0000 H 0 0 0
- 6.2639 0.7192 0.0000 H 0 0 0
- 7.5250 1.1335 0.0000 H 0 0 0
- 3.2202 0.2135 0.0000 H 0 0 0
- 4.5934 -0.1127 0.0000 H 0 0 0
- 4.9196 1.2605 0.0000 H 0 0 0
- -6.9178 2.5550 0.0000 H 0 0 0
- -6.3609 1.7095 0.0000 H 0 0 0
- -6.8748 -0.8908 0.0000 H 0 0 0
- -6.7113 -2.2927 0.0000 H 0 0 0
- -5.3094 -2.1292 0.0000 H 0 0 0
- 7.9259 3.7092 0.0000 H 0 0 0
- 6.6649 3.2949 0.0000 H 0 0 0
- -5.6970 3.8952 0.0000 H 0 0 0
- -6.2540 4.7407 0.0000 H 0 0 0
- 8.7022 1.3954 0.0000 H 0 0 0
- 9.9467 2.0613 0.0000 H 0 0 0
- 9.2808 3.3058 0.0000 H 0 0 0
- -6.3981 5.1678 0.0000 H 0 0 0
- -7.7873 5.4174 0.0000 H 0 0 0
- -8.0369 4.0282 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 20 24 1 0
- 21 25 1 0
- 23 26 1 0
- 25 27 1 0
- 26 28 1 0
- 9 12 1 0
- 4 29 1 0
- 6 30 1 0
- 9 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 20 45 1 0
- 20 46 1 0
- 21 47 1 0
- 21 48 1 0
- 22 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
- 24 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 26 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1928-43-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- 2.4131 -0.2786 0.0042 C 0 0 0
- 3.6000 -0.9991 0.0010 C 0 0 0
- 2.4414 1.1008 -0.1335 C 0 0 0
- 1.2246 -0.9252 0.1365 O 0 0 0
- 4.8067 -0.3399 -0.1393 C 0 0 0
- 3.5683 -2.7263 0.1726 Cl 0 0 0
- 3.6501 1.7560 -0.2736 C 0 0 0
- 0.2044 0.0748 0.1032 C 0 0 0
- 4.8318 1.0369 -0.2766 C 0 0 0
- -1.1455 -0.5798 0.2460 C 0 0 0
- 6.3486 1.8628 -0.4527 Cl 0 0 0
- -2.2588 0.1700 0.2419 O 0 0 0
- -1.2256 -1.7796 0.3640 O 0 0 0
- -3.5594 -0.4608 0.3794 C 0 0 0
- -4.6518 0.6099 0.3439 C 0 0 0
- -6.0222 -0.0547 0.4888 C 0 0 0
- -4.4383 1.5947 1.4952 C 0 0 0
- -6.8595 0.2255 -0.7608 C 0 0 0
- -4.3184 3.0141 0.9366 C 0 0 0
- -8.1881 -0.5271 -0.6636 C 0 0 0
- -9.0254 -0.2469 -1.9132 C 0 0 0
- 1.5555 1.6407 0.0000 H 0 0 0
- 5.6941 -0.8773 0.0000 H 0 0 0
- 3.6760 2.7932 0.0000 H 0 0 0
- 1.0106 0.7278 0.0000 H 0 0 0
- -0.3521 0.9504 0.0000 H 0 0 0
- -4.3656 -1.1138 0.0000 H 0 0 0
- -3.0029 -1.3364 0.0000 H 0 0 0
- -5.4673 1.2512 0.0000 H 0 0 0
- -6.5980 -0.9177 0.0000 H 0 0 0
- -5.3405 -0.8367 0.0000 H 0 0 0
- -3.6408 0.9311 0.0000 H 0 0 0
- -3.4812 1.9951 0.0000 H 0 0 0
- -6.3022 1.1006 0.0000 H 0 0 0
- -7.5739 0.9778 0.0000 H 0 0 0
- -3.2846 2.9268 0.0000 H 0 0 0
- -4.2311 4.0479 0.0000 H 0 0 0
- -5.3522 3.1014 0.0000 H 0 0 0
- -8.7454 -1.4022 0.0000 H 0 0 0
- -7.4737 -1.2794 0.0000 H 0 0 0
- -8.6962 0.7369 0.0000 H 0 0 0
- -10.0092 0.0823 0.0000 H 0 0 0
- -9.3546 -1.2307 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 20 21 1 0
- 7 9 2 0
- 3 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129927-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 67 1 V2000
- -1.8184 2.4716 -0.5785 C 0 0 0
- -3.0870 3.0980 -0.0595 C 0 0 0
- -0.8826 2.1688 0.5935 C 0 0 0
- -2.1495 1.1910 -1.3007 C 0 0 0
- -1.1755 3.3746 -1.4803 O 0 0 0
- -3.3865 4.4111 -0.3700 C 0 0 0
- -3.9539 2.3575 0.7225 C 0 0 0
- 0.3740 1.4671 0.0746 C 0 0 0
- -0.4886 3.4768 1.2826 C 0 0 0
- -2.7613 0.1908 -0.6473 O 0 0 0
- -1.8642 1.0647 -2.4680 O 0 0 0
- -4.5503 4.9859 0.1062 C 0 0 0
- -5.1174 2.9321 1.1985 C 0 0 0
- 1.3098 1.1643 1.2465 C 0 0 0
- 0.4472 3.1740 2.4546 C 0 0 0
- -2.9660 -1.0877 -1.3045 C 0 0 0
- -5.4142 4.2474 0.8926 C 0 0 0
- 1.7038 2.4723 1.9356 C 0 0 0
- -3.6050 -2.0249 -0.3663 C 0 0 0
- -3.8671 -0.8948 -2.5258 C 0 0 0
- -1.6163 -1.6535 -1.7507 C 0 0 0
- -4.1146 -2.7724 0.3819 C 0 0 0
- -4.7536 -3.7096 1.3200 C 0 0 0
- -4.9606 -5.0030 0.6551 N 0 0 0
- -5.5979 -5.8869 1.6403 C 0 0 0
- -5.9471 -4.7772 -0.4098 C 0 0 0
- -4.6930 -7.0920 1.9048 C 0 0 0
- -5.4513 -5.4168 -1.7082 C 0 0 0
- 13.4682 -0.8541 0.5232 O 0 0 0
- 22.0882 -1.1846 -0.2435 Cl 0 0 0
- -1.2340 1.3627 0.0000 H 0 0 0
- -0.6655 4.0909 0.0000 H 0 0 0
- -2.6962 4.9559 0.0000 H 0 0 0
- -3.8451 1.4849 0.0000 H 0 0 0
- -0.3501 0.9681 0.0000 H 0 0 0
- 0.5012 0.5970 0.0000 H 0 0 0
- -0.2236 4.3153 0.0000 H 0 0 0
- -1.3288 3.7361 0.0000 H 0 0 0
- -4.6593 5.8585 0.0000 H 0 0 0
- -5.8083 2.3881 0.0000 H 0 0 0
- 1.0448 0.3258 0.0000 H 0 0 0
- 2.1500 0.9050 0.0000 H 0 0 0
- 1.1713 3.6730 0.0000 H 0 0 0
- 0.3200 4.0441 0.0000 H 0 0 0
- -6.2487 4.5247 0.0000 H 0 0 0
- 2.5253 2.1586 0.0000 H 0 0 0
- 2.0760 3.2690 0.0000 H 0 0 0
- -3.6830 -0.0349 0.0000 H 0 0 0
- -4.7270 -0.7107 0.0000 H 0 0 0
- -4.0512 -1.7547 0.0000 H 0 0 0
- -1.9563 -2.4645 0.0000 H 0 0 0
- -0.8053 -1.9935 0.0000 H 0 0 0
- -1.2763 -0.8425 0.0000 H 0 0 0
- -5.2467 -2.9815 0.0000 H 0 0 0
- -5.6121 -3.9001 0.0000 H 0 0 0
- -6.2559 -5.3035 0.0000 H 0 0 0
- -6.2445 -6.4829 0.0000 H 0 0 0
- -6.0084 -3.9000 0.0000 H 0 0 0
- -6.7687 -5.0908 0.0000 H 0 0 0
- -5.3962 -7.6200 0.0000 H 0 0 0
- -4.1650 -7.7952 0.0000 H 0 0 0
- -3.9898 -6.5640 0.0000 H 0 0 0
- -6.1463 -5.9555 0.0000 H 0 0 0
- -4.9126 -6.1118 0.0000 H 0 0 0
- -4.7563 -4.8781 0.0000 H 0 0 0
- 12.5888 -0.8541 0.0000 H 0 0 0
- 14.3476 -0.8541 0.0000 H 0 0 0
- 22.9676 -1.1846 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 2 0
- 14 18 1 0
- 16 19 1 0
- 16 20 1 0
- 16 21 1 0
- 19 22 3 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 13 17 1 0
- 15 18 1 0
- 3 31 1 0
- 5 32 1 0
- 6 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 20 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 21 53 1 0
- 23 54 1 0
- 23 55 1 0
- 25 56 1 0
- 25 57 1 0
- 26 58 1 0
- 26 59 1 0
- 27 60 1 0
- 27 61 1 0
- 27 62 1 0
- 28 63 1 0
- 28 64 1 0
- 28 65 1 0
- 29 66 1 0
- 29 67 1 0
- 30 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4513-36-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- -0.2616 -0.2836 0.0000 O 0 0 0
- -1.5417 0.1388 0.0000 C 0 0 0
- 0.8219 0.6831 0.0000 C 0 0 0
- -2.6382 -0.8395 0.0000 C 0 0 0
- -1.7890 1.3287 0.0000 O 0 0 0
- 2.1627 -0.0538 0.0000 C 0 0 0
- -3.9020 -0.4225 0.0000 C 0 0 0
- 3.3044 0.9648 0.0000 C 0 0 0
- 2.2623 -0.9315 1.2493 C 0 0 0
- 2.2623 -0.9315 -1.2492 C 0 0 0
- 1.4059 1.5084 0.0000 H 0 0 0
- 0.0679 1.3566 0.0000 H 0 0 0
- -2.4325 -1.8293 0.0000 H 0 0 0
- -4.1077 0.5673 0.0000 H 0 0 0
- -4.6564 -1.0956 0.0000 H 0 0 0
- 3.9775 0.2104 0.0000 H 0 0 0
- 4.0588 1.6379 0.0000 H 0 0 0
- 2.6313 1.7192 0.0000 H 0 0 0
- 1.2578 -1.0455 0.0000 H 0 0 0
- 2.3763 -1.9360 0.0000 H 0 0 0
- 3.2668 -0.8175 0.0000 H 0 0 0
- 1.2578 -1.0455 0.0000 H 0 0 0
- 2.3763 -1.9360 0.0000 H 0 0 0
- 3.2668 -0.8175 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 1 0
- 7 4 2 0
- 8 6 1 0
- 9 6 1 0
- 10 6 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-507-55-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.1350 -0.3824 0.0396 C 0 0 0
- -1.1654 0.3824 -0.2151 C 0 0 0
- 1.3247 0.4749 -0.3970 C 0 0 0
- 0.2455 -0.6734 1.4035 F 0 0 0
- 0.1259 -1.5746 -0.6924 F 0 0 0
- -1.1562 1.5746 0.5169 F 0 0 0
- -1.2759 0.6734 -1.5790 F 0 0 0
- -2.5674 -0.6279 0.2994 Cl 0 0 0
- 1.3339 1.6671 0.3351 F 0 0 0
- 2.8572 -0.4264 -0.0969 Cl 0 0 0
- 0.5304 0.8855 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5042-54-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.9818 -0.3097 0.0048 C 0 0 0
- 1.8433 -1.4220 0.0031 C 0 0 0
- 1.5180 0.9831 0.0028 C 0 0 0
- -0.3674 -0.4901 0.0027 N 0 0 0
- 3.2149 -1.2255 -0.0006 C 0 0 0
- 1.3212 -2.7114 0.0046 N 0 0 0
- 2.8713 1.1632 -0.0008 C 0 0 0
- -1.1547 0.5317 0.0043 N 0 0 0
- 3.7291 0.0647 -0.0026 C 0 0 0
- 3.4411 2.5584 -0.0030 C 0 0 0
- -2.5101 0.3505 0.0022 C 0 0 0
- 5.1075 0.2615 -0.0058 N 0 0 0
- -3.3659 1.4548 0.0040 C 0 0 0
- -3.0459 -0.9403 -0.0074 C 0 0 0
- -4.7321 1.2642 0.0019 C 0 0 0
- -4.4136 -1.1153 -0.0094 C 0 0 0
- -5.2554 -0.0166 -0.0019 C 0 0 0
- 0.8842 1.8082 0.0000 H 0 0 0
- 3.8585 -2.0430 0.0000 H 0 0 0
- 0.2908 -2.8554 0.0000 H 0 0 0
- 1.9611 -3.5318 0.0000 H 0 0 0
- 4.4043 2.1650 0.0000 H 0 0 0
- 3.8345 3.5216 0.0000 H 0 0 0
- 2.4779 2.9518 0.0000 H 0 0 0
- 5.7498 -0.5570 0.0000 H 0 0 0
- 5.4951 1.2270 0.0000 H 0 0 0
- -2.9738 2.4185 0.0000 H 0 0 0
- -2.4143 -1.7671 0.0000 H 0 0 0
- -5.3706 2.0856 0.0000 H 0 0 0
- -4.8139 -2.0757 0.0000 H 0 0 0
- -6.2867 -0.1545 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 11 13 2 0
- 11 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 7 9 1 0
- 16 17 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-396-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.6741 0.8713 0.0353 C 0 0 0
- -1.2399 -0.4761 -0.0277 C 0 0 0
- -0.7730 1.8573 0.0847 N 0 0 0
- -2.9892 1.1242 0.0494 N 0 0 0
- 0.0611 -0.7603 -0.0378 N 0 0 0
- -2.2243 -1.4963 -0.0785 C 0 0 0
- 0.5156 1.5670 0.0743 C 0 0 0
- -3.8635 0.1356 0.0053 C 0 0 0
- 0.9453 0.2201 0.0113 C 0 0 0
- -3.5009 -1.1415 -0.0646 N 0 0 0
- -1.8616 -2.8248 -0.1412 N 0 0 0
- 1.4497 2.5847 0.1248 N 0 0 0
- -5.2111 0.4417 0.0224 N 0 0 0
- 2.3937 -0.0920 0.0003 C 0 0 0
- 3.0143 -0.5754 1.1515 C 0 0 0
- 3.1406 0.0913 -1.1633 C 0 0 0
- 4.3637 -0.8643 1.1351 C 0 0 0
- 4.4889 -0.2010 -1.1674 C 0 0 0
- 5.1004 -0.6751 -0.0202 C 0 0 0
- -2.5666 -3.5365 0.0000 H 0 0 0
- -0.8927 -3.0795 0.0000 H 0 0 0
- 2.4276 2.3671 0.0000 H 0 0 0
- 1.1492 3.5404 0.0000 H 0 0 0
- -5.5074 1.3987 0.0000 H 0 0 0
- -5.8917 -0.2934 0.0000 H 0 0 0
- 2.5909 -1.4833 0.0000 H 0 0 0
- 3.1270 1.0930 0.0000 H 0 0 0
- 4.3840 -1.8659 0.0000 H 0 0 0
- 4.9124 0.7069 0.0000 H 0 0 0
- 6.0814 -0.8781 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 7 9 1 0
- 8 10 2 0
- 18 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.3870 0.1721 -0.0006 C 0 0 0
- -2.8664 0.1721 -0.0006 C 0 0 0
- -0.6889 1.3812 0.0004 C 0 0 0
- -0.6892 -1.0367 0.0043 C 0 0 0
- -3.5399 -0.9943 -0.0016 O 0 0 0
- -3.4736 1.2238 0.0002 O 0 0 0
- 0.6889 1.3812 0.0004 C 0 0 0
- 0.6891 -1.0367 0.0043 C 0 0 0
- -4.9919 -0.9943 -0.0016 C 0 0 0
- 1.3870 0.1721 -0.0006 C 0 0 0
- 2.8664 0.1721 -0.0006 C 0 0 0
- 3.5399 -0.9943 -0.0016 O 0 0 0
- 3.4736 1.2238 0.0002 O 0 0 0
- 4.9919 -0.9943 -0.0016 C 0 0 0
- -1.2123 2.2878 0.0000 H 0 0 0
- -1.2126 -1.9433 0.0000 H 0 0 0
- 1.2123 2.2878 0.0000 H 0 0 0
- 1.2125 -1.9433 0.0000 H 0 0 0
- -4.9919 0.0525 0.0000 H 0 0 0
- -6.0387 -0.9943 0.0000 H 0 0 0
- -4.9919 -2.0411 0.0000 H 0 0 0
- 4.9919 -2.0411 0.0000 H 0 0 0
- 6.0387 -0.9943 0.0000 H 0 0 0
- 4.9919 0.0525 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 8 10 2 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-952-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.4952 1.1214 -0.4350 C 0 0 0
- -3.1262 0.0016 0.2711 C 0 0 0
- -1.1754 1.0033 -0.8758 C 0 0 0
- -3.2334 2.3036 -0.6517 C 0 0 0
- -2.4552 -1.1247 0.4959 N 0 0 0
- -4.4579 0.1458 0.7059 C 0 0 0
- -0.5048 -0.1953 -0.6204 C 0 0 0
- -4.5114 2.3900 -0.2067 C 0 0 0
- -1.1966 -1.2749 0.0914 C 0 0 0
- -5.1279 1.3218 0.4603 C 0 0 0
- 0.8289 -0.3873 -1.0357 C 0 0 0
- -0.4991 -2.4728 0.3371 C 0 0 0
- -6.4449 1.4581 0.8924 N 0 0 0
- 1.4529 -1.5627 -0.7732 C 0 0 0
- 0.8019 -2.6005 -0.0922 C 0 0 0
- 1.4866 -3.7881 0.1539 N 0 0 0
- 10.8047 1.4351 0.3475 Cl 0 0 0
- -0.6352 1.8370 0.0000 H 0 0 0
- -2.7226 3.1556 0.0000 H 0 0 0
- -5.0026 -0.6849 0.0000 H 0 0 0
- -4.9789 3.2666 0.0000 H 0 0 0
- 1.4003 0.4253 0.0000 H 0 0 0
- -1.0357 -3.3088 0.0000 H 0 0 0
- -6.8504 2.3650 0.0000 H 0 0 0
- -7.0275 0.6535 0.0000 H 0 0 0
- 2.4457 -1.5986 0.0000 H 0 0 0
- 0.9894 -4.6481 0.0000 H 0 0 0
- 2.4800 -3.7887 0.0000 H 0 0 0
- 11.7981 1.4351 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3807-77-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.9650 0.1339 0.0142 C 0 0 0
- -0.3632 0.5480 0.0303 C 0 0 0
- 1.8942 1.1670 0.0770 C 0 0 0
- 1.3379 -1.2198 -0.0652 C 0 0 0
- -1.3306 -0.4077 -0.0286 C 0 0 0
- -0.3650 2.0550 0.1150 C 0 0 0
- 1.1241 2.4632 0.1459 C 0 0 0
- 3.2156 0.8387 0.0653 C 0 0 0
- 0.3140 -2.1794 -0.1298 C 0 0 0
- 2.7090 -1.5228 -0.0751 C 0 0 0
- -0.9842 -1.7592 -0.1020 C 0 0 0
- -2.7571 -0.0132 -0.0143 N 0 3 0
- 3.6097 -0.4991 -0.0077 C 0 0 0
- -3.5441 -0.5999 0.7067 O 0 0 0
- -3.1440 0.8983 -0.7236 O 0 5 0
- -0.5510 3.0843 0.0000 H 0 0 0
- -1.4067 1.9610 0.0000 H 0 0 0
- 2.0675 2.9149 0.0000 H 0 0 0
- 0.7585 3.4432 0.0000 H 0 0 0
- 3.9392 1.5940 0.0000 H 0 0 0
- 0.5422 -3.2002 0.0000 H 0 0 0
- 3.0339 -2.5170 0.0000 H 0 0 0
- -1.7464 -2.4755 0.0000 H 0 0 0
- 4.6310 -0.7249 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 8 13 2 0
- 12 14 2 0
- 12 15 1 0
- 6 7 1 0
- 9 11 2 0
- 10 13 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -3.2243 0.3631 -0.0005 Cl 0 0 0
- -1.5329 -0.0277 -0.0013 C 0 0 0
- -0.5997 0.9709 0.0004 C 0 0 0
- -1.1242 -1.3611 0.0021 C 0 0 0
- 0.7604 0.6087 0.0002 C 0 0 0
- 0.1436 -1.6935 0.0021 N 0 0 0
- 1.1058 -0.7654 -0.0018 C 0 0 0
- 1.7752 1.5795 0.0014 C 0 0 0
- 2.4640 -1.1285 -0.0021 C 0 0 0
- 3.0795 1.1893 0.0006 C 0 0 0
- 3.4215 -0.1617 -0.0004 C 0 0 0
- -0.8881 1.9759 0.0000 H 0 0 0
- -1.8482 -2.1154 0.0000 H 0 0 0
- 1.5304 2.5960 0.0000 H 0 0 0
- 2.7373 -2.1377 0.0000 H 0 0 0
- 3.8345 1.9127 0.0000 H 0 0 0
- 4.4302 -0.4369 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 6 7 1 0
- 10 11 1 0
- 3 12 1 0
- 4 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13675-34-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -3.6840 -0.2556 0.0000 O 0 0 0
- -4.9083 0.3085 0.0000 C 0 0 0
- -2.4984 0.5827 0.0000 C 0 0 0
- -6.1082 -0.5399 0.0000 C 0 0 0
- -5.0198 1.5187 0.0000 O 0 0 0
- -1.2492 -0.3007 0.0000 C 0 0 0
- -5.9699 -2.0406 0.0000 C 0 0 0
- -7.3169 0.0170 0.0000 C 0 0 0
- 0.0000 0.5826 0.0000 C 0 0 0
- 1.2492 -0.3008 0.0000 C 0 0 0
- 2.4985 0.5826 0.0000 C 0 0 0
- 3.6840 -0.2558 0.0000 O 0 0 0
- 4.9083 0.3082 0.0000 C 0 0 0
- 6.1081 -0.5403 0.0000 C 0 0 0
- 5.0199 1.5184 0.0000 O 0 0 0
- 5.9698 -2.0409 0.0000 C 0 0 0
- 7.3169 0.0166 0.0000 C 0 0 0
- -1.7688 1.4000 0.0000 H 0 0 0
- -3.2280 1.4000 0.0000 H 0 0 0
- -1.9788 -1.1180 0.0000 H 0 0 0
- -0.5196 -1.1180 0.0000 H 0 0 0
- -7.0609 -2.1411 0.0000 H 0 0 0
- -5.8694 -3.1316 0.0000 H 0 0 0
- -4.8789 -1.9401 0.0000 H 0 0 0
- -7.4174 1.1080 0.0000 H 0 0 0
- -8.2115 -0.6155 0.0000 H 0 0 0
- 0.7296 1.3999 0.0000 H 0 0 0
- -0.7296 1.3999 0.0000 H 0 0 0
- 0.5196 -1.1181 0.0000 H 0 0 0
- 1.9788 -1.1181 0.0000 H 0 0 0
- 3.2281 1.3999 0.0000 H 0 0 0
- 1.7689 1.3999 0.0000 H 0 0 0
- 4.8788 -1.9404 0.0000 H 0 0 0
- 5.8693 -3.1319 0.0000 H 0 0 0
- 7.0608 -2.1414 0.0000 H 0 0 0
- 8.2114 -0.6159 0.0000 H 0 0 0
- 7.4174 1.1076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 2 0
- 3 18 1 0
- 3 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71628-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 75 1 V2000
- -0.9770 -0.0185 -0.4594 C 0 0 0
- -2.3046 -0.3945 -0.7088 C 0 0 0
- -0.6530 1.3398 -0.2801 C 0 0 0
- 0.0777 -1.0449 -0.3914 C 0 0 0
- -3.2909 0.5841 -0.7678 C 0 0 0
- -2.5800 -1.7023 -0.9029 O 0 0 0
- 0.7417 1.7386 -0.0191 C 0 0 0
- -1.6594 2.3055 -0.3519 C 0 0 0
- 1.4768 -0.6448 -0.1330 C 0 0 0
- -0.2021 -2.2178 -0.5469 O 0 0 0
- -4.7308 0.1980 -1.0161 C 0 0 0
- -2.9741 1.9146 -0.5965 C 0 0 0
- -3.9575 -1.9587 -0.7962 C 0 0 0
- 1.7981 0.7129 0.0501 C 0 0 0
- 1.0206 2.9119 0.1385 O 0 0 0
- -1.3585 3.6172 -0.1840 O 0 0 0
- 2.4822 -1.5990 -0.0683 C 0 0 0
- -4.7655 -1.1101 -1.5875 O 0 0 0
- -5.4490 0.1629 0.3420 C 0 0 0
- -5.3927 1.2044 -1.9595 C 0 0 0
- -4.4511 -2.0974 0.6309 C 0 0 0
- 3.1237 1.0753 0.2899 C 0 0 0
- 3.8022 -1.2263 0.1729 C 0 0 0
- -4.6173 -0.7211 1.2823 C 0 0 0
- -5.5243 1.4866 0.8754 O 0 0 0
- -5.7055 -2.7817 0.6366 O 0 0 0
- 4.1228 0.0989 0.3543 C 0 0 0
- 3.4453 2.3814 0.4611 O 0 0 0
- 4.8328 -2.3246 0.2347 C 0 0 0
- -3.2958 -0.1125 1.4851 N 0 0 0
- 5.5335 0.5644 0.6078 C 0 0 0
- 6.2388 -1.7532 0.0665 C 0 0 0
- -3.4635 0.9305 2.5058 C 0 0 0
- -2.4401 -1.1492 2.0776 C 0 0 0
- 6.4090 -0.5973 1.0723 C 0 0 0
- 6.0751 1.1187 -0.5928 O 0 0 0
- 7.2753 -2.8409 0.3554 C 0 0 0
- 6.4061 -1.2710 -1.2683 O 0 0 0
- 6.5392 2.4309 -0.2693 C 0 0 0
- -3.7243 2.6244 0.0000 H 0 0 0
- -3.7231 -2.9645 0.0000 H 0 0 0
- -1.1276 4.6238 0.0000 H 0 0 0
- 2.2347 -2.6017 0.0000 H 0 0 0
- -6.3979 -0.2449 0.0000 H 0 0 0
- -4.5298 1.7719 0.0000 H 0 0 0
- -5.9602 2.0673 0.0000 H 0 0 0
- -6.2556 0.6369 0.0000 H 0 0 0
- -4.0616 -3.0539 0.0000 H 0 0 0
- -5.5528 -1.1587 0.0000 H 0 0 0
- -5.5830 2.5177 0.0000 H 0 0 0
- -6.6121 -3.2763 0.0000 H 0 0 0
- 3.6922 3.3842 0.0000 H 0 0 0
- 3.9989 -2.9340 0.0000 H 0 0 0
- 5.3357 -3.2267 0.0000 H 0 0 0
- 4.9868 1.4406 0.0000 H 0 0 0
- -2.4438 1.0944 0.0000 H 0 0 0
- -3.6274 1.9502 0.0000 H 0 0 0
- -4.4832 0.7665 0.0000 H 0 0 0
- -3.2366 -1.8066 0.0000 H 0 0 0
- -1.7827 -1.9457 0.0000 H 0 0 0
- -1.6436 -0.4918 0.0000 H 0 0 0
- 7.3579 -1.0050 0.0000 H 0 0 0
- 7.0466 0.2152 0.0000 H 0 0 0
- 6.5276 -3.5534 0.0000 H 0 0 0
- 7.9878 -3.5886 0.0000 H 0 0 0
- 8.0230 -2.1284 0.0000 H 0 0 0
- 6.7446 -0.2953 0.0000 H 0 0 0
- 7.5129 2.0865 0.0000 H 0 0 0
- 6.8836 3.4046 0.0000 H 0 0 0
- 5.5655 2.7753 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
- 17 23 2 0
- 19 24 1 0
- 19 25 1 0
- 21 26 1 0
- 22 27 2 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 27 31 1 0
- 29 32 1 0
- 30 33 1 0
- 30 34 1 0
- 31 35 1 0
- 31 36 1 0
- 32 37 1 0
- 32 38 1 0
- 36 39 1 0
- 8 12 2 0
- 9 14 2 0
- 13 18 1 0
- 21 24 1 0
- 23 27 1 0
- 32 35 1 0
- 12 40 1 0
- 13 41 1 0
- 16 42 1 0
- 17 43 1 0
- 19 44 1 0
- 20 45 1 0
- 20 46 1 0
- 20 47 1 0
- 21 48 1 0
- 24 49 1 0
- 25 50 1 0
- 26 51 1 0
- 28 52 1 0
- 29 53 1 0
- 29 54 1 0
- 31 55 1 0
- 33 56 1 0
- 33 57 1 0
- 33 58 1 0
- 34 59 1 0
- 34 60 1 0
- 34 61 1 0
- 35 62 1 0
- 35 63 1 0
- 37 64 1 0
- 37 65 1 0
- 37 66 1 0
- 38 67 1 0
- 39 68 1 0
- 39 69 1 0
- 39 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4629-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -0.5355 0.5740 -0.0017 C 0 0 0
- -1.3518 -0.4925 -0.0018 C 0 0 0
- 0.9258 0.3835 -0.0017 C 0 0 0
- -2.8125 -0.3021 -0.0019 C 0 0 0
- 1.7781 1.4907 -0.0016 C 0 0 0
- 1.4659 -0.9055 0.0042 C 0 0 0
- -3.6637 -1.4110 -0.0020 C 0 0 0
- -3.3512 0.9883 0.0040 C 0 0 0
- 3.1449 1.3046 -0.0010 C 0 0 0
- 2.8343 -1.0760 0.0047 C 0 0 0
- -5.0292 -1.2288 -0.0016 C 0 0 0
- -4.7173 1.1622 0.0044 C 0 0 0
- 3.6723 0.0255 -0.0006 C 0 0 0
- -5.5611 0.0562 -0.0010 C 0 0 0
- 5.1404 -0.1659 -0.0005 N 0 3 0
- -6.9443 0.2365 -0.0006 N 0 0 0
- 5.6079 -1.2906 -0.0001 O 0 0 0
- 5.8806 0.8014 -0.0008 O 0 5 0
- -0.9359 1.5372 0.0000 H 0 0 0
- -0.9514 -1.4557 0.0000 H 0 0 0
- 1.3818 2.4555 0.0000 H 0 0 0
- 0.8355 -1.7365 0.0000 H 0 0 0
- -3.2655 -2.3750 0.0000 H 0 0 0
- -2.7192 1.8180 0.0000 H 0 0 0
- 3.7824 2.1302 0.0000 H 0 0 0
- 3.2388 -2.0374 0.0000 H 0 0 0
- -5.6650 -2.0557 0.0000 H 0 0 0
- -5.1199 2.1244 0.0000 H 0 0 0
- -7.3447 1.1996 0.0000 H 0 0 0
- -7.5782 -0.5918 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 14 11 2 0
- 15 13 1 0
- 16 14 1 0
- 17 15 2 0
- 18 15 1 0
- 10 13 1 0
- 12 14 1 0
- 1 19 1 0
- 2 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-73-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 0.6880 0.2063 0.1457 C 0 0 0
- -0.4662 -0.7395 -0.1923 C 0 0 0
- 0.0030 -0.5522 1.1444 O 0 0 0
- 2.0822 -0.2247 -0.2302 C 0 0 0
- 0.4222 1.6885 0.0845 C 0 0 0
- -1.8116 -0.1162 -0.5696 C 0 0 0
- -0.1264 -2.0580 -0.8902 C 0 0 0
- 2.8513 -0.8640 0.6651 O 0 0 0
- 2.5077 0.0051 -1.3374 O 0 0 0
- 0.6311 2.4561 1.1724 N 0 0 0
- 0.0203 2.1905 -0.9438 O 0 0 0
- -2.9430 -1.0667 -0.1732 C 0 0 0
- -1.9704 1.1263 0.1181 O 0 0 0
- 4.1454 -1.3888 0.2671 C 0 0 0
- -2.9976 -1.1870 1.3511 C 0 0 0
- -4.2746 -0.5178 -0.6894 C 0 0 0
- -2.7247 0.2406 0.0000 H 0 0 0
- -1.0757 -2.3027 0.0000 H 0 0 0
- 0.1183 -3.0073 0.0000 H 0 0 0
- 0.8229 -1.8133 0.0000 H 0 0 0
- 1.5790 2.7061 0.0000 H 0 0 0
- -0.0594 3.1520 0.0000 H 0 0 0
- -2.1620 -1.6592 0.0000 H 0 0 0
- -2.0947 2.0987 0.0000 H 0 0 0
- 3.7770 -2.2973 0.0000 H 0 0 0
- 5.0539 -1.7572 0.0000 H 0 0 0
- 4.5138 -0.4803 0.0000 H 0 0 0
- -3.8903 -0.7818 0.0000 H 0 0 0
- -3.4028 -2.0797 0.0000 H 0 0 0
- -2.1049 -1.5922 0.0000 H 0 0 0
- -3.9010 0.3885 0.0000 H 0 0 0
- -5.1809 -0.1442 0.0000 H 0 0 0
- -4.6482 -1.4241 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 8 14 1 0
- 12 15 1 0
- 12 16 1 0
- 2 3 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-500-38-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- 0.7371 -1.7357 0.3469 C 0 0 0
- -0.7544 -1.8062 0.0129 C 0 0 0
- 1.0521 -0.3841 0.9909 C 0 0 0
- 1.0953 -2.8604 1.3204 C 0 0 0
- -1.1126 -0.6815 -0.9606 C 0 0 0
- -1.0694 -3.1578 -0.6312 C 0 0 0
- 2.4740 0.0032 0.6759 C 0 0 0
- -2.5164 -0.2073 -0.6856 C 0 0 0
- 2.8047 0.4402 -0.5933 C 0 0 0
- 3.4437 -0.0740 1.6583 C 0 0 0
- -2.7588 0.6577 0.3651 C 0 0 0
- -3.5581 -0.6339 -1.4883 C 0 0 0
- 4.1116 0.7971 -0.8845 C 0 0 0
- 4.7494 0.2806 1.3744 C 0 0 0
- -4.0489 1.0949 0.6190 C 0 0 0
- -4.8476 -0.2014 -1.2404 C 0 0 0
- 5.0886 0.7145 0.1029 C 0 0 0
- 4.4386 1.2268 -2.1326 O 0 0 0
- -5.0982 0.6615 -0.1856 C 0 0 0
- -4.2891 1.9455 1.6526 O 0 0 0
- 6.3726 1.0636 -0.1781 O 0 0 0
- -6.3661 1.0878 0.0596 O 0 0 0
- 1.6217 -1.7006 0.0000 H 0 0 0
- -1.6390 -1.8413 0.0000 H 0 0 0
- 0.9629 0.4967 0.0000 H 0 0 0
- 0.1686 -0.3275 0.0000 H 0 0 0
- 0.2518 -3.1291 0.0000 H 0 0 0
- 1.3640 -3.7039 0.0000 H 0 0 0
- 1.9388 -2.5917 0.0000 H 0 0 0
- -0.2315 -0.5958 0.0000 H 0 0 0
- -1.0115 0.1980 0.0000 H 0 0 0
- -1.9316 -2.9569 0.0000 H 0 0 0
- -1.2703 -4.0200 0.0000 H 0 0 0
- -0.2072 -3.3587 0.0000 H 0 0 0
- 2.3087 1.1734 0.0000 H 0 0 0
- 3.5258 -0.9555 0.0000 H 0 0 0
- -2.1163 1.2667 0.0000 H 0 0 0
- -3.5293 -1.5187 0.0000 H 0 0 0
- 5.2392 -0.4569 0.0000 H 0 0 0
- -5.4863 -0.8144 0.0000 H 0 0 0
- 4.9747 1.9313 0.0000 H 0 0 0
- -4.5297 2.7975 0.0000 H 0 0 0
- 7.2269 1.2959 0.0000 H 0 0 0
- -7.2052 1.3699 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 2 0
- 7 10 1 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 11 15 1 0
- 12 16 2 0
- 13 17 2 0
- 13 18 1 0
- 15 19 2 0
- 15 20 1 0
- 17 21 1 0
- 19 22 1 0
- 14 17 1 0
- 16 19 1 0
- 1 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 4 29 1 0
- 5 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 6 34 1 0
- 9 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 14 39 1 0
- 16 40 1 0
- 18 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.0725 1.0682 -0.2141 C 0 0 0
- -0.2851 2.0348 0.3580 S 0 0 0
- 1.1937 0.7670 -1.5695 C 0 0 0
- 2.0271 0.6096 0.6830 C 0 0 0
- -1.5577 0.8162 0.3395 C 0 0 0
- 2.2628 0.0074 -2.0140 C 0 0 0
- 0.2636 1.2178 -2.4537 O 0 0 0
- 3.0918 -0.1484 0.2311 C 0 0 0
- -2.8816 1.1850 0.5710 C 0 0 0
- -1.2450 -0.5127 0.0888 C 0 0 0
- 3.2078 -0.4510 -1.1143 C 0 0 0
- 4.2853 -0.7216 1.3538 Cl 0 0 0
- -3.8780 0.2234 0.5549 C 0 0 0
- -3.1943 2.4865 0.8125 O 0 0 0
- -2.2458 -1.4668 0.0745 C 0 0 0
- -3.5592 -1.0998 0.3097 C 0 0 0
- -1.8538 -3.1286 -0.2392 Cl 0 0 0
- 2.5417 1.4814 0.0000 H 0 0 0
- 1.7469 -0.8637 0.0000 H 0 0 0
- -0.6474 1.6593 0.0000 H 0 0 0
- -0.2747 -0.8013 0.0000 H 0 0 0
- 3.8924 -1.1968 0.0000 H 0 0 0
- -4.8500 0.5064 0.0000 H 0 0 0
- -3.4308 3.4708 0.0000 H 0 0 0
- -4.2878 -1.8026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 2 0
- 13 16 2 0
- 15 17 1 0
- 8 11 1 0
- 15 16 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5634-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7932 1.4257 0.5698 C 0 0 0
- 1.6181 0.2805 0.8216 O 0 0 0
- 0.8167 1.7127 -0.8386 O 0 0 0
- -0.6425 1.1258 1.0053 C 0 0 0
- 2.1706 -0.1361 -0.4435 C 0 0 0
- 2.0602 1.1418 -1.3120 C 0 0 0
- -1.5228 2.3480 0.7366 C 0 0 0
- -1.3962 -0.5647 -0.1120 I 0 0 0
- 3.6448 -0.5024 -0.2603 C 0 0 0
- 3.7567 -1.5699 0.6831 O 0 0 0
- 1.7975 1.7050 0.0000 H 0 0 0
- 0.0119 0.3144 0.0000 H 0 0 0
- 1.7221 -1.0770 0.0000 H 0 0 0
- 3.0987 1.0523 0.0000 H 0 0 0
- 2.3264 2.1496 0.0000 H 0 0 0
- -0.6770 2.9572 0.0000 H 0 0 0
- -2.1320 3.1938 0.0000 H 0 0 0
- -2.3686 1.7388 0.0000 H 0 0 0
- 4.6871 -0.5144 0.0000 H 0 0 0
- 3.7774 0.5315 0.0000 H 0 0 0
- 3.8654 -2.6066 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 5 6 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -1.3210 0.1827 0.3757 C 0 0 0
- -2.3296 0.9444 -0.1991 C 0 0 0
- -0.0841 0.7660 0.6720 N 0 0 0
- -1.5443 -1.1581 0.6613 C 0 0 0
- -3.5495 0.3655 -0.4904 C 0 0 0
- -2.0939 2.4012 -0.5044 C 0 0 0
- 1.0514 0.2147 0.1997 C 0 0 0
- -2.7680 -1.7294 0.3729 C 0 0 0
- -3.7667 -0.9709 -0.2102 C 0 0 0
- 2.3890 0.7628 0.6256 C 0 0 0
- 0.9967 -0.7226 -0.5682 O 0 0 0
- 3.4890 -0.0240 -0.0392 C 0 0 0
- 4.9309 0.3269 0.2231 C 0 0 0
- 3.2150 -0.9357 -0.7822 O 0 0 0
- -0.0784 1.7796 0.0000 H 0 0 0
- -0.7371 -1.7711 0.0000 H 0 0 0
- -4.3598 0.9744 0.0000 H 0 0 0
- -1.0933 2.2393 0.0000 H 0 0 0
- -1.9320 3.4018 0.0000 H 0 0 0
- -3.0945 2.5631 0.0000 H 0 0 0
- -2.8756 -2.7373 0.0000 H 0 0 0
- -4.7080 -1.3469 0.0000 H 0 0 0
- 3.1217 1.4632 0.0000 H 0 0 0
- 1.8370 1.6129 0.0000 H 0 0 0
- 5.1706 -0.6579 0.0000 H 0 0 0
- 5.9158 0.5666 0.0000 H 0 0 0
- 4.6912 1.3117 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 7 11 2 0
- 10 12 1 0
- 12 13 1 0
- 12 14 2 0
- 8 9 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-99-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -1.1100 0.7725 0.0737 C 0 0 0
- -1.1099 -0.7726 0.0737 C 0 0 0
- 0.3604 1.1479 -0.2153 C 0 0 0
- 0.3604 -1.1479 -0.2153 C 0 0 0
- 1.1253 0.0000 0.2126 O 0 0 0
- -1.2988 1.8948 0.0000 H 0 0 0
- -2.2441 0.6777 0.0000 H 0 0 0
- -2.2440 -0.6779 0.0000 H 0 0 0
- -1.2986 -1.8949 0.0000 H 0 0 0
- 1.3724 1.6686 0.0000 H 0 0 0
- -0.0433 2.2120 0.0000 H 0 0 0
- -0.0432 -2.2120 0.0000 H 0 0 0
- 1.3724 -1.6686 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88133-11-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 0.4921 0.2579 -0.4116 C 0 0 0
- 0.3925 -1.0616 -0.0087 C 0 0 0
- 1.7503 0.8824 -0.3534 C 0 0 0
- -0.7183 1.0065 -0.9072 C 0 0 0
- -0.9176 -1.7528 -0.0566 C 0 0 0
- 1.4803 -1.7171 0.4253 N 0 0 0
- 2.8232 0.1590 0.0992 N 0 0 0
- 2.1878 2.0965 -0.6536 N 0 0 0
- -1.3056 1.8392 0.2341 C 0 0 0
- -1.3379 -2.3752 -1.2312 C 0 0 0
- -1.7322 -1.7881 1.0747 C 0 0 0
- 2.6575 -1.1377 0.4813 C 0 0 0
- 3.9238 1.0236 0.0475 N 0 0 0
- 3.4908 2.1735 -0.4108 C 0 0 0
- -2.4533 2.5491 -0.2359 O 0 0 0
- -2.5587 -3.0177 -1.2697 C 0 0 0
- -2.9506 -2.4336 1.0241 C 0 0 0
- 3.7416 -1.8527 0.9335 N 0 0 0
- -2.9535 3.3037 0.8697 C 0 0 0
- -3.3647 -3.0449 -0.1460 C 0 0 0
- -4.1898 4.0915 0.4318 C 0 0 0
- -1.6726 0.7882 0.0000 H 0 0 0
- -0.8786 0.0408 0.0000 H 0 0 0
- -0.3513 2.0575 0.0000 H 0 0 0
- -1.1453 2.8049 0.0000 H 0 0 0
- -0.6846 -3.1043 0.0000 H 0 0 0
- -1.9888 -0.8434 0.0000 H 0 0 0
- 4.0239 2.9946 0.0000 H 0 0 0
- -2.3079 -3.9640 0.0000 H 0 0 0
- -3.6044 -1.7050 0.0000 H 0 0 0
- 3.6834 -2.8299 0.0000 H 0 0 0
- 4.6170 -1.4145 0.0000 H 0 0 0
- -1.9943 3.4993 0.0000 H 0 0 0
- -2.7752 4.2663 0.0000 H 0 0 0
- -4.2217 -3.5182 0.0000 H 0 0 0
- -3.6637 4.9171 0.0000 H 0 0 0
- -5.0154 4.6176 0.0000 H 0 0 0
- -4.7159 3.2659 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 1 0
- 7 12 1 0
- 13 14 2 0
- 17 20 1 0
- 4 22 1 0
- 4 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103942-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -1.1362 0.5906 0.0034 C 0 0 0
- -2.1637 1.6356 -0.0611 C 0 0 0
- 0.2709 1.0013 0.0236 C 0 0 0
- -1.4803 -0.6882 0.0475 N 0 0 0
- -3.4503 1.3049 -0.0808 N 0 0 0
- -1.7567 2.9874 -0.1009 C 0 0 0
- 0.5670 2.3537 -0.0190 C 0 0 0
- 1.3478 -0.0037 0.0874 C 0 0 0
- -2.7683 -1.0200 0.0328 C 0 0 0
- -3.7980 0.0234 -0.0417 C 0 0 0
- -0.4394 3.3121 -0.0798 C 0 0 0
- 2.6367 0.3899 0.1052 N 0 0 0
- 1.0731 -1.1877 0.1239 O 0 0 0
- -3.1736 -2.3704 0.0785 C 0 0 0
- -5.1554 -0.3645 -0.0614 C 0 0 0
- 3.7067 -0.6087 0.1686 C 0 0 0
- -4.4968 -2.6741 0.0620 C 0 0 0
- -5.4762 -1.6827 -0.0207 C 0 0 0
- 5.0638 0.0979 0.1767 C 0 0 0
- 6.1368 -0.9035 0.2403 N 0 0 0
- 6.0901 -1.6530 -1.0223 C 0 0 0
- 7.4055 -0.1630 0.2449 C 0 0 0
- -2.4758 3.7439 0.0000 H 0 0 0
- 1.5650 2.6593 0.0000 H 0 0 0
- -0.1714 4.3209 0.0000 H 0 0 0
- 2.8719 1.4068 0.0000 H 0 0 0
- -2.4603 -3.1324 0.0000 H 0 0 0
- -5.9079 0.3588 0.0000 H 0 0 0
- 2.9129 -1.2864 0.0000 H 0 0 0
- 4.2903 -1.4741 0.0000 H 0 0 0
- -4.7882 -3.6763 0.0000 H 0 0 0
- -6.4821 -1.9614 0.0000 H 0 0 0
- 5.8576 0.7756 0.0000 H 0 0 0
- 4.4802 0.9633 0.0000 H 0 0 0
- 5.0484 -1.5881 0.0000 H 0 0 0
- 6.0252 -2.6947 0.0000 H 0 0 0
- 7.1318 -1.7179 0.0000 H 0 0 0
- 7.9316 -1.0644 0.0000 H 0 0 0
- 8.3069 0.3631 0.0000 H 0 0 0
- 6.8794 0.7384 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 1 0
- 17 18 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 1.1414 0.5039 0.0000 C 0 0 0
- 0.1121 -0.6281 0.0000 C 0 0 0
- 2.4955 -0.0656 0.0000 N 0 0 0
- -1.5601 0.0752 0.0000 S 0 0 0
- 1.7030 1.5046 0.0000 H 0 0 0
- 0.2106 1.1750 0.0000 H 0 0 0
- -0.4495 -1.6288 0.0000 H 0 0 0
- 1.0429 -1.2992 0.0000 H 0 0 0
- 2.6391 -1.2041 0.0000 H 0 0 0
- 3.4096 0.6280 0.0000 H 0 0 0
- -2.6178 0.5201 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119169-78-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 69 1 V2000
- 0.9220 -1.6108 -0.6457 C 0 0 1
- -0.3824 -1.2802 0.0579 C 0 0 1
- 1.8647 -0.3910 -0.4707 C 0 0 1
- 1.7477 -2.7358 -0.0117 C 0 0 0
- -1.0145 -0.0798 -0.6710 C 0 0 1
- -1.3344 -2.4745 -0.0711 C 0 0 0
- 3.2279 -0.9405 -0.8799 C 0 0 2
- 1.3031 0.7185 -1.3408 C 0 0 0
- 1.8938 0.0428 0.9962 C 0 0 0
- 3.1826 -2.4494 -0.5325 C 0 0 0
- -2.2609 0.3496 0.1112 C 0 0 2
- -0.0581 1.1073 -0.7468 C 0 0 0
- -2.7309 -2.0820 0.3023 C 0 0 0
- 4.3046 -0.2699 -0.0663 C 0 0 0
- -3.1488 -0.8301 0.3780 C 0 0 0
- -2.9954 1.4433 -0.6497 C 0 0 0
- -1.8118 0.9297 1.4538 C 0 0 0
- 4.8656 0.8747 -0.5041 N 0 0 0
- 4.6663 -0.7601 0.9824 O 0 0 0
- -4.5556 -0.5576 0.7395 C 0 0 0
- -4.3610 0.9955 -1.1481 C 0 0 0
- 5.9694 1.4822 0.2436 C 0 0 0
- -5.1726 0.3877 -0.0303 C 0 0 0
- 5.4919 1.8486 1.6502 C 0 0 0
- 7.1277 0.4874 0.3412 C 0 0 0
- 6.4413 2.7451 -0.4799 C 0 0 0
- -6.5140 0.7794 0.2098 C 0 0 0
- -7.0931 1.7163 -0.5697 O 0 0 0
- -7.1427 0.2708 1.1185 O 0 0 0
- 0.3575 -2.4486 0.0000 H 0 0 0
- 0.2427 -0.4866 0.0000 H 0 0 0
- 0.8553 -3.2092 0.0000 H 0 0 0
- 2.0869 -3.6874 0.0000 H 0 0 0
- -1.6722 -0.8466 0.0000 H 0 0 0
- -1.7343 -3.4022 0.0000 H 0 0 0
- -0.4679 -2.9939 0.0000 H 0 0 0
- 3.1402 0.0659 0.0000 H 0 0 0
- 2.2890 0.9386 0.0000 H 0 0 0
- 1.3327 1.7283 0.0000 H 0 0 0
- 2.9017 -0.0248 0.0000 H 0 0 0
- 1.9614 1.0507 0.0000 H 0 0 0
- 0.8859 0.1104 0.0000 H 0 0 0
- 3.3049 -3.4522 0.0000 H 0 0 0
- 4.1917 -2.4033 0.0000 H 0 0 0
- 0.3460 2.0331 0.0000 H 0 0 0
- -0.9220 1.6309 0.0000 H 0 0 0
- -3.4278 -2.8133 0.0000 H 0 0 0
- -2.1088 1.9275 0.0000 H 0 0 0
- -3.3966 2.3704 0.0000 H 0 0 0
- -1.0130 0.3113 0.0000 H 0 0 0
- -1.1934 1.7285 0.0000 H 0 0 0
- -2.6106 1.5481 0.0000 H 0 0 0
- 4.1346 1.5719 0.0000 H 0 0 0
- -5.1192 -1.3959 0.0000 H 0 0 0
- -4.2621 2.0008 0.0000 H 0 0 0
- -5.2411 1.4913 0.0000 H 0 0 0
- 6.1069 2.6500 0.0000 H 0 0 0
- 4.6905 2.4636 0.0000 H 0 0 0
- 4.8769 1.0472 0.0000 H 0 0 0
- 6.4695 -0.2789 0.0000 H 0 0 0
- 7.8940 -0.1708 0.0000 H 0 0 0
- 7.7859 1.2537 0.0000 H 0 0 0
- 7.3876 2.3915 0.0000 H 0 0 0
- 6.7949 3.6914 0.0000 H 0 0 0
- 5.4950 3.0987 0.0000 H 0 0 0
- -7.6242 2.5756 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 11 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 2 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 20 23 2 0
- 22 24 1 0
- 22 25 1 0
- 22 26 1 0
- 23 27 1 0
- 27 28 1 0
- 27 29 2 0
- 7 10 1 0
- 8 12 1 0
- 13 15 2 0
- 21 23 1 0
- 1 30 1 0
- 2 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 6 35 1 0
- 6 36 1 0
- 7 37 1 0
- 8 38 1 0
- 8 39 1 0
- 9 40 1 0
- 9 41 1 0
- 9 42 1 0
- 10 43 1 0
- 10 44 1 0
- 12 45 1 0
- 12 46 1 0
- 13 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 24 57 1 0
- 24 58 1 0
- 24 59 1 0
- 25 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 26 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-88-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.7418 -0.0002 -0.0018 C 0 0 0
- -0.7418 0.0000 -0.0016 C 0 0 0
- 1.4401 1.1340 -0.4116 C 0 0 0
- 1.4401 -1.1330 0.4135 C 0 0 0
- -1.4402 -1.1342 -0.4113 C 0 0 0
- -1.4399 1.1328 0.4139 C 0 0 0
- 2.8194 1.1310 -0.4103 C 0 0 0
- 2.8190 -1.1300 0.4127 C 0 0 0
- -2.8195 -1.1310 -0.4101 C 0 0 0
- -2.8189 1.1300 0.4129 C 0 0 0
- 3.5119 -0.0003 -0.0012 C 0 0 0
- -3.5119 0.0004 -0.0013 C 0 0 0
- 4.8708 -0.0005 -0.0014 O 0 0 0
- -4.8708 0.0008 -0.0016 O 0 0 0
- 0.9538 2.0066 0.0000 H 0 0 0
- 0.9541 -2.0058 0.0000 H 0 0 0
- -0.9540 -2.0069 0.0000 H 0 0 0
- -0.9538 2.0055 0.0000 H 0 0 0
- 3.3087 2.0020 0.0000 H 0 0 0
- 3.3079 -2.0012 0.0000 H 0 0 0
- -3.3089 -2.0019 0.0000 H 0 0 0
- -3.3077 2.0012 0.0000 H 0 0 0
- 5.8698 -0.0006 0.0000 H 0 0 0
- -5.8698 0.0011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 8 11 1 0
- 10 12 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5742-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -5.1331 -0.2241 0.0524 C 0 0 0
- -6.0627 0.7408 -0.3101 C 0 0 0
- -3.8889 0.1594 0.5305 C 0 0 0
- -5.4438 -1.5432 -0.0556 O 0 0 0
- -5.7464 2.0816 -0.1940 C 0 0 0
- -7.6212 0.2644 -0.9084 Cl 0 0 0
- -3.5769 1.5003 0.6450 C 0 0 0
- -4.2990 -2.2748 0.3873 C 0 0 0
- -4.5046 2.4612 0.2832 C 0 0 0
- -4.5794 -3.7524 0.2920 C 0 0 0
- -4.1093 4.1454 0.4278 Cl 0 0 0
- -3.6400 -4.6388 0.6577 O 0 0 0
- -5.6498 -4.1393 -0.1135 O 0 0 0
- 11.7590 0.0474 -0.1155 N 0 0 0
- 10.7752 1.0686 -0.4993 C 0 0 0
- 12.9558 0.7653 0.3428 C 0 0 0
- 9.4965 0.3861 -0.9893 C 0 0 0
- 14.0273 -0.2439 0.7603 C 0 0 0
- 8.9582 -0.4245 0.0571 O 0 0 0
- 14.3653 -1.0691 -0.3563 O 0 0 0
- -3.1435 -0.5353 0.0000 H 0 0 0
- -6.4899 2.7783 0.0000 H 0 0 0
- -2.5948 1.7717 0.0000 H 0 0 0
- -3.3300 -2.5901 0.0000 H 0 0 0
- -3.8635 -1.3536 0.0000 H 0 0 0
- -2.8989 -5.3381 0.0000 H 0 0 0
- 11.6250 -0.9627 0.0000 H 0 0 0
- 11.5710 1.7050 0.0000 H 0 0 0
- 10.2147 1.9196 0.0000 H 0 0 0
- 13.7194 1.4400 0.0000 H 0 0 0
- 12.3539 1.5875 0.0000 H 0 0 0
- 9.3629 1.3963 0.0000 H 0 0 0
- 8.5038 0.6158 0.0000 H 0 0 0
- 15.0462 -0.2364 0.0000 H 0 0 0
- 14.3996 0.7046 0.0000 H 0 0 0
- 8.3945 -1.2733 0.0000 H 0 0 0
- 14.7515 -2.0120 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 7 9 1 0
- 3 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -2.7659 -0.0001 0.0017 C 0 0 0
- -2.0750 -1.1972 0.0013 C 0 0 0
- -2.0748 1.1974 0.0014 C 0 0 0
- -4.2729 -0.0001 -0.0037 C 0 0 0
- -0.6926 -1.1977 0.0005 C 0 0 0
- -0.6928 1.1979 0.0006 C 0 0 0
- -0.0009 -0.0001 0.0002 C 0 0 0
- 1.8901 0.0000 -0.0003 Br 0 0 0
- -2.5938 -2.0952 0.0000 H 0 0 0
- -2.5936 2.0954 0.0000 H 0 0 0
- -4.2729 1.0370 0.0000 H 0 0 0
- -5.3100 -0.0001 0.0000 H 0 0 0
- -4.2729 -1.0372 0.0000 H 0 0 0
- -0.1743 -2.0960 0.0000 H 0 0 0
- -0.1745 2.0962 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 7 8 1 0
- 6 7 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4985-70-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -2.7290 -1.8800 0.0004 Cl 0 0 0
- -2.1746 -0.2349 0.0014 C 0 0 0
- -0.7912 0.0493 0.0007 C 0 0 0
- -3.0688 0.7885 -0.0030 C 0 0 0
- -0.3601 1.4511 0.0011 C 0 0 0
- 0.1537 -0.9750 0.0003 C 0 0 0
- -2.6577 2.1211 -0.0028 C 0 0 0
- 0.9974 1.7673 0.0009 C 0 0 0
- -1.3436 2.4632 0.0020 C 0 0 0
- 1.5109 -0.6588 0.0001 C 0 0 0
- 1.9421 0.7431 0.0004 C 0 0 0
- 2.4950 -1.6709 -0.0007 C 0 0 0
- 3.3249 1.0273 0.0001 C 0 0 0
- 3.8084 -1.3280 -0.0013 C 0 0 0
- 4.2186 0.0057 -0.0005 C 0 0 0
- -4.0919 0.5710 0.0000 H 0 0 0
- -0.1538 -1.9747 0.0000 H 0 0 0
- -3.3806 2.8770 0.0000 H 0 0 0
- 1.3049 2.7670 0.0000 H 0 0 0
- -1.0621 3.4705 0.0000 H 0 0 0
- 2.2140 -2.6784 0.0000 H 0 0 0
- 3.6586 2.0186 0.0000 H 0 0 0
- 4.5319 -2.0833 0.0000 H 0 0 0
- 5.2415 0.2239 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 2 0
- 11 8 2 0
- 12 10 1 0
- 13 11 1 0
- 14 12 2 0
- 15 13 2 0
- 7 9 1 0
- 10 11 1 0
- 14 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-482-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.0371 -2.6327 0.4172 O 0 0 0
- -0.1479 -3.2473 -0.8681 C 0 0 0
- 0.2282 -1.3148 0.2016 C 0 0 0
- -0.8149 -0.4109 0.0812 C 0 0 0
- 1.5471 -0.8783 0.1084 C 0 0 0
- -0.5424 0.9558 -0.1418 C 0 0 0
- -2.0982 -0.8304 0.1759 O 0 0 0
- 1.8216 0.4831 -0.1138 C 0 0 0
- 2.7339 -1.5156 0.1891 O 0 0 0
- 0.7809 1.4021 -0.2426 C 0 0 0
- -1.6603 1.8919 -0.2661 C 0 0 0
- -3.1256 0.0254 0.0624 C 0 0 0
- 3.2865 0.5871 -0.1565 C 0 0 0
- 3.7542 -0.6529 0.0331 C 0 0 0
- 1.0478 2.7156 -0.4571 O 0 0 0
- -2.9235 1.4020 -0.1607 C 0 0 0
- -4.2635 -0.3992 0.1546 O 0 0 0
- 1.2830 3.3038 0.8238 C 0 0 0
- -1.1462 -3.0673 0.0000 H 0 0 0
- -0.3279 -4.2456 0.0000 H 0 0 0
- 0.8504 -3.4273 0.0000 H 0 0 0
- -1.4951 2.8927 0.0000 H 0 0 0
- 3.8336 1.4413 0.0000 H 0 0 0
- 4.7360 -0.9079 0.0000 H 0 0 0
- -3.7165 2.0345 0.0000 H 0 0 0
- 2.2249 2.9272 0.0000 H 0 0 0
- 1.6596 4.2457 0.0000 H 0 0 0
- 0.3411 3.6804 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 6 1 0
- 12 7 1 0
- 13 8 1 0
- 14 9 1 0
- 15 10 1 0
- 16 11 2 0
- 17 12 2 0
- 18 15 1 0
- 8 10 1 0
- 13 14 2 0
- 12 16 1 0
- 2 19 1 0
- 2 20 1 0
- 2 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.7419 -0.4129 -0.0014 C 0 0 0
- -0.7420 -0.4131 -0.0008 C 0 0 0
- 1.2055 0.8996 -0.0006 C 0 0 0
- 1.6608 -1.4641 0.0027 C 0 0 0
- -1.2057 0.8998 0.0003 C 0 0 0
- -1.6605 -1.4640 -0.0013 C 0 0 0
- -0.0001 1.8074 0.0006 C 0 0 0
- 2.5600 1.1582 -0.0005 C 0 0 0
- 3.0137 -1.1961 0.0010 C 0 0 0
- -2.5598 1.1582 0.0011 C 0 0 0
- -3.0138 -1.1960 -0.0006 C 0 0 0
- 3.4649 0.1117 -0.0012 C 0 0 0
- -3.4650 0.1114 0.0006 C 0 0 0
- 1.3260 -2.4465 0.0000 H 0 0 0
- -1.3256 -2.4464 0.0000 H 0 0 0
- 0.6988 2.5747 0.0000 H 0 0 0
- -0.6989 2.5748 0.0000 H 0 0 0
- 2.9008 2.1386 0.0000 H 0 0 0
- 3.6958 -1.9784 0.0000 H 0 0 0
- -2.9007 2.1386 0.0000 H 0 0 0
- -3.6958 -1.9784 0.0000 H 0 0 0
- 4.4841 0.3081 0.0000 H 0 0 0
- -4.4842 0.3078 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17924-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 1.5122 1.0214 0.0699 C 0 0 0
- 1.5240 -0.3858 -0.0489 C 0 0 0
- 2.7116 1.7218 0.0744 C 0 0 0
- 0.2215 1.7239 0.1812 C 0 0 0
- 2.7469 -1.0606 -0.1653 C 0 0 0
- 0.2519 -1.1162 -0.0476 C 0 0 0
- 3.9152 1.0397 -0.0409 C 0 0 0
- 0.1580 3.0411 0.3018 C 0 0 0
- 3.9314 -0.3440 -0.1607 C 0 0 0
- 2.7699 -2.4118 -0.2819 O 0 0 0
- 0.2125 -2.4556 -0.1657 O 0 0 0
- -0.7890 -0.4978 0.0622 O 0 0 0
- 5.0840 1.7296 -0.0368 O 0 0 0
- -1.1910 3.7106 0.4092 C 0 0 0
- -1.0740 -3.1349 -0.1495 C 0 0 2
- -2.2359 2.8542 -0.3101 C 0 0 0
- -2.0852 -2.2793 0.6176 C 0 0 0
- -0.9256 -4.4917 0.5417 C 0 0 0
- -2.8453 1.8532 0.6727 C 0 0 0
- -2.8572 -1.3943 -0.3624 C 0 0 0
- -3.7497 0.9014 -0.0661 C 0 0 0
- -3.8654 -0.5352 0.4021 C 0 0 0
- -4.3827 1.2896 -1.0185 O 0 0 0
- 2.7050 2.7426 0.0000 H 0 0 0
- -0.6432 1.1814 0.0000 H 0 0 0
- 1.0123 3.5998 0.0000 H 0 0 0
- 4.8235 -0.8401 0.0000 H 0 0 0
- 2.7873 -3.4324 0.0000 H 0 0 0
- 5.9631 2.2485 0.0000 H 0 0 0
- -0.6131 4.5520 0.0000 H 0 0 0
- -1.9427 4.4012 0.0000 H 0 0 0
- -1.9753 -3.6142 0.0000 H 0 0 0
- -2.5135 3.8365 0.0000 H 0 0 0
- -3.2473 2.9923 0.0000 H 0 0 0
- -3.0757 -2.5260 0.0000 H 0 0 0
- -2.3170 -3.2734 0.0000 H 0 0 0
- -1.9403 -4.6027 0.0000 H 0 0 0
- -0.8146 -5.5064 0.0000 H 0 0 0
- 0.0891 -4.3807 0.0000 H 0 0 0
- -2.4873 0.8972 0.0000 H 0 0 0
- -1.8290 1.7571 0.0000 H 0 0 0
- -1.8664 -1.1487 0.0000 H 0 0 0
- -2.6231 -0.4007 0.0000 H 0 0 0
- -4.8439 -0.2445 0.0000 H 0 0 0
- -4.3523 -1.4324 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 2 0
- 7 9 1 0
- 21 22 1 0
- 3 24 1 0
- 4 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 22 44 1 0
- 22 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7651 0.7740 0.0019 C 0 0 0
- -1.1695 -0.5482 0.0007 C 0 0 0
- 0.5804 1.0863 0.0015 C 0 0 0
- -1.7935 1.8756 -0.0029 C 0 0 0
- -0.2290 -1.5623 -0.0011 C 0 0 0
- -2.6384 -0.8851 0.0011 C 0 0 0
- 1.5275 0.0704 0.0001 C 0 0 0
- 1.1177 -1.2571 -0.0015 C 0 0 0
- 2.8889 0.3827 0.0002 N 0 0 0
- 0.8844 2.0826 0.0000 H 0 0 0
- -1.0321 2.5864 0.0000 H 0 0 0
- -2.5043 2.6370 0.0000 H 0 0 0
- -2.5549 1.1648 0.0000 H 0 0 0
- -0.5369 -2.5574 0.0000 H 0 0 0
- -2.8713 0.1302 0.0000 H 0 0 0
- -3.6537 -1.1180 0.0000 H 0 0 0
- -2.4055 -1.9004 0.0000 H 0 0 0
- 1.8255 -2.0213 0.0000 H 0 0 0
- 3.5983 -0.3801 0.0000 H 0 0 0
- 3.1948 1.3784 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6382-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 20 1 V2000
- -4.2319 -0.8716 -0.6228 C 0 0 1
- -5.1488 0.0965 0.1274 C 0 0 0
- -3.0794 -1.2626 0.2659 C 0 0 0
- -4.9901 -2.0724 -0.9984 N 0 0 0
- -6.3189 0.4936 -0.7749 C 0 0 0
- -1.9492 -0.5386 0.2569 O 0 0 0
- -3.1728 -2.2279 0.9866 O 0 0 0
- -7.2220 1.4471 -0.0359 C 0 0 0
- -6.9537 1.7796 1.1105 O 0 0 0
- -8.2236 1.8888 -0.5824 O 0 0 0
- 6.6960 -0.0562 0.0868 O 0 0 0
- 15.3411 0.4263 -0.0832 K 0 3 0
- -3.7319 -0.0913 0.0000 H 0 0 0
- -4.2939 0.4543 0.0000 H 0 0 0
- -5.1809 1.0227 0.0000 H 0 0 0
- -5.9161 -2.0357 0.0000 H 0 0 0
- -4.5589 -2.8927 0.0000 H 0 0 0
- -7.1738 0.1357 0.0000 H 0 0 0
- -6.2868 -0.4326 0.0000 H 0 0 0
- -1.1688 -0.0387 0.0000 H 0 0 0
- 5.7693 -0.0562 0.0000 H 0 0 0
- 7.6227 -0.0562 0.0000 H 0 0 0
- -9.0715 2.2627 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 2 0
- 8 10 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 11 21 1 0
- 11 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21655-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -2.0892 -0.9453 -0.2087 C 0 0 0
- -3.1581 0.0597 -0.3142 C 0 0 0
- -1.0145 -0.3202 0.4480 C 0 0 0
- -1.9552 -2.2777 -0.5961 C 0 0 0
- -2.6640 1.2291 0.2849 C 0 0 0
- -4.4430 0.0437 -0.8536 C 0 0 0
- -1.3797 0.9812 0.7347 N 0 0 0
- 0.1401 -1.0579 0.6795 C 0 0 0
- -0.7712 -2.9309 -0.3255 C 0 0 0
- -3.4693 2.3634 0.3325 C 0 0 0
- -5.2244 1.1768 -0.7969 C 0 0 0
- 0.2211 -2.3140 0.2911 N 0 0 0
- 1.3091 -0.4158 1.3812 C 0 0 0
- -4.7377 2.3325 -0.2047 C 0 0 0
- 9.9702 0.7783 -0.3466 Cl 0 0 0
- -2.7820 -2.8235 0.0000 H 0 0 0
- -4.8981 -0.8362 0.0000 H 0 0 0
- -0.7088 1.7101 0.0000 H 0 0 0
- -0.7454 -3.9212 0.0000 H 0 0 0
- -3.0255 3.2491 0.0000 H 0 0 0
- -6.2098 1.0754 0.0000 H 0 0 0
- 1.7860 -1.2841 0.0000 H 0 0 0
- 2.1774 0.0611 0.0000 H 0 0 0
- 0.8322 0.4525 0.0000 H 0 0 0
- -5.2957 3.1511 0.0000 H 0 0 0
- 10.9609 0.7783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 1 0
- 10 14 2 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67587-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.8702 -0.2568 -0.2291 N 0 0 0
- -0.3578 -1.0490 -0.4144 C 0 0 0
- 0.7750 1.1996 -0.4283 C 0 0 0
- 1.9849 -0.8163 0.1002 N 0 0 0
- -1.4941 -0.3526 0.3423 C 0 0 0
- -0.4572 1.7057 0.3296 C 0 0 0
- 2.9863 -0.1387 0.2474 O 0 0 0
- -1.6142 0.9955 -0.1099 O 0 0 0
- -2.7205 -1.0461 0.1035 O 0 0 0
- -1.0111 -1.8259 0.0000 H 0 0 0
- 0.3133 -1.8106 0.0000 H 0 0 0
- 1.7863 1.1120 0.0000 H 0 0 0
- 1.0144 2.1861 0.0000 H 0 0 0
- -0.6313 0.1822 0.0000 H 0 0 0
- 0.1159 2.5435 0.0000 H 0 0 0
- -1.1570 2.4410 0.0000 H 0 0 0
- -3.6041 -1.5458 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-14-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.0295 0.6424 -0.2280 C 0 0 0
- -1.1289 -0.0897 0.0473 C 0 0 0
- -0.0384 2.0357 -0.3222 C 0 0 0
- 1.3166 -0.0502 -0.4121 C 0 0 0
- -2.3293 0.5663 0.2240 C 0 0 0
- -1.0678 -1.5651 0.1485 N 0 3 0
- -1.2456 2.6772 -0.1430 C 0 0 0
- 1.4235 -0.9184 -1.2526 O 0 0 0
- 2.6804 0.3760 0.5738 Cl 0 0 0
- -2.3885 1.9455 0.1293 C 0 0 0
- -2.0941 -2.2107 0.2646 O 0 0 0
- 0.0089 -2.1337 0.1156 O 0 5 0
- 0.8286 2.5860 0.0000 H 0 0 0
- -3.2011 0.0237 0.0000 H 0 0 0
- -1.2872 3.7032 0.0000 H 0 0 0
- -3.2997 2.4190 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17341-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 1.1455 -1.1380 0.0989 N 0 3 0
- -0.1010 -0.8104 0.5515 N 0 0 0
- 1.7611 0.0362 -0.5337 C 0 0 0
- 1.9763 -1.5780 1.2277 C 0 0 0
- 1.0396 -2.2246 -0.8840 C 0 0 0
- -1.0158 -0.3055 -0.2997 C 0 0 0
- 1.5227 1.2697 0.3397 C 0 0 0
- -2.3405 0.0965 0.1978 C 0 0 0
- -0.7461 -0.1821 -1.4791 O 0 0 0
- 2.5048 2.3735 -0.0578 C 0 0 0
- 0.1840 1.7336 0.1535 O 0 0 0
- -2.6747 -0.0563 1.6593 C 0 0 0
- -3.2432 0.5947 -0.6422 C 0 0 0
- -0.4281 -1.6279 0.0000 H 0 0 0
- 2.3859 -0.5842 0.0000 H 0 0 0
- 2.5381 0.4505 0.0000 H 0 0 0
- 1.5642 -2.3561 0.0000 H 0 0 0
- 2.7544 -1.9901 0.0000 H 0 0 0
- 2.3884 -0.7999 0.0000 H 0 0 0
- 0.1632 -2.1392 0.0000 H 0 0 0
- 0.9542 -3.1010 0.0000 H 0 0 0
- 1.9160 -2.3100 0.0000 H 0 0 0
- 2.3718 1.0364 0.0000 H 0 0 0
- 3.1626 1.7882 0.0000 H 0 0 0
- 3.0901 3.0313 0.0000 H 0 0 0
- 1.8470 2.9588 0.0000 H 0 0 0
- -3.0408 0.7445 0.0000 H 0 0 0
- -3.4755 -0.4224 0.0000 H 0 0 0
- -2.3086 -0.8571 0.0000 H 0 0 0
- -3.2602 1.4751 0.0000 H 0 0 0
- -3.9971 0.1398 0.0000 H 0 0 0
- -0.6480 2.0219 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 6 9 2 0
- 7 10 1 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 5 22 1 0
- 7 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 11 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.0000 -0.2167 -0.0012 C 0 0 0
- -1.1651 0.4559 0.0002 O 0 0 0
- 1.1651 0.4559 0.0002 O 0 0 0
- 0.0000 -1.4310 0.0013 O 0 0 0
- -2.4225 -0.2701 -0.0013 C 0 0 0
- 2.4225 -0.2701 -0.0014 C 0 0 0
- -3.5854 0.7242 0.0009 C 0 0 0
- 3.5854 0.7242 0.0007 C 0 0 0
- -3.2192 -1.0125 0.0000 H 0 0 0
- -1.7749 -1.1456 0.0000 H 0 0 0
- 1.7749 -1.1456 0.0000 H 0 0 0
- 3.2192 -1.0125 0.0000 H 0 0 0
- -2.8777 1.5519 0.0000 H 0 0 0
- -4.4131 1.4319 0.0000 H 0 0 0
- -4.2931 -0.1035 0.0000 H 0 0 0
- 4.2931 -0.1035 0.0000 H 0 0 0
- 4.4131 1.4319 0.0000 H 0 0 0
- 2.8777 1.5519 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100757-60-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.6385 -0.6344 0.0587 C 0 0 0
- -0.7452 -0.8587 0.1698 C 0 0 0
- 1.1475 0.6702 0.1864 C 0 0 0
- 1.5397 -1.7620 -0.1830 C 0 0 0
- -1.6094 0.2343 0.4087 C 0 0 0
- -1.2640 -2.1669 0.0436 C 0 0 0
- 2.5906 0.8685 0.0656 C 0 0 0
- 0.2675 1.7424 0.4249 C 0 0 0
- 2.9024 -1.5408 -0.2928 C 0 0 0
- 0.9713 -3.1051 -0.3038 C 0 0 0
- -2.9856 -0.0011 0.5175 C 0 0 0
- -1.0688 1.5338 0.5314 C 0 0 0
- -0.3628 -3.2900 -0.2022 C 0 0 0
- -2.6421 -2.3592 0.1585 C 0 0 0
- 3.4332 -0.2459 -0.1745 C 0 0 0
- 3.1513 2.1462 0.1837 C 0 0 0
- -3.4790 -1.2826 0.3924 C 0 0 0
- -3.9280 1.1470 0.7720 C 0 0 0
- 4.8223 -0.0383 -0.2888 C 0 0 0
- 4.4997 2.3088 0.0674 C 0 0 0
- -4.4757 1.8351 -0.8020 Cl 0 0 0
- 5.3320 1.2173 -0.1685 C 0 0 0
- 0.6405 2.7205 0.0000 H 0 0 0
- 3.5536 -2.3604 0.0000 H 0 0 0
- 1.6082 -3.9359 0.0000 H 0 0 0
- -1.7153 2.3571 0.0000 H 0 0 0
- -0.7496 -4.2627 0.0000 H 0 0 0
- -3.0359 -3.3291 0.0000 H 0 0 0
- 2.5273 2.9867 0.0000 H 0 0 0
- -4.5146 -1.4355 0.0000 H 0 0 0
- -4.9625 0.9867 0.0000 H 0 0 0
- -4.3016 0.1691 0.0000 H 0 0 0
- 5.4697 -0.8609 0.0000 H 0 0 0
- 4.9070 3.2731 0.0000 H 0 0 0
- 6.3696 1.3560 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 1 0
- 19 22 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16069-36-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 64 1 V2000
- 3.7837 -0.6328 -0.5951 C 0 0 0
- 3.5893 0.4267 0.4724 C 0 0 0
- 5.0046 -0.4028 -1.4162 C 0 0 0
- 3.2906 -1.8970 -0.3868 O 0 0 0
- 4.8372 0.5170 1.3567 C 0 0 0
- 3.3517 1.6986 -0.1370 O 0 0 0
- 6.2523 -0.3111 -0.5296 C 0 0 0
- 2.0642 -1.8250 0.3432 C 0 0 0
- 6.0590 0.8182 0.4864 C 0 0 0
- 2.3801 2.3659 0.6713 C 0 0 0
- 1.0671 -2.8329 -0.2320 C 0 0 0
- 0.9979 1.7657 0.4065 C 0 0 0
- -0.0092 -3.0162 0.6903 O 0 0 0
- 0.3177 2.5516 -0.5744 O 0 0 0
- -1.2159 -3.0045 -0.0751 C 0 0 0
- -0.9390 2.9248 -0.0054 C 0 0 0
- -2.2262 -2.0599 0.5790 C 0 0 0
- -2.0539 2.0913 -0.6403 C 0 0 0
- -2.8802 -1.2887 -0.4307 O 0 0 0
- -2.8090 1.4446 0.3861 O 0 0 0
- -3.9836 -0.6192 0.2576 C 0 0 0
- -3.9396 0.8285 -0.3009 C 0 0 0
- -5.2531 -1.2934 -0.3557 C 0 0 0
- -5.1802 1.5718 0.2800 C 0 0 0
- -6.4844 -0.5580 0.1688 C 0 0 0
- -6.4403 0.9055 -0.2690 C 0 0 0
- 2.8213 -0.5409 0.0000 H 0 0 0
- 2.6386 0.2507 0.0000 H 0 0 0
- 5.3923 0.4829 0.0000 H 0 0 0
- 4.4026 0.3537 0.0000 H 0 0 0
- 4.4653 -0.3754 0.0000 H 0 0 0
- 5.4665 -0.2170 0.0000 H 0 0 0
- 6.3540 -1.2726 0.0000 H 0 0 0
- 7.2100 -0.1786 0.0000 H 0 0 0
- 2.3491 -0.9011 0.0000 H 0 0 0
- 1.2347 -1.3283 0.0000 H 0 0 0
- 7.0078 1.0042 0.0000 H 0 0 0
- 5.8502 1.7622 0.0000 H 0 0 0
- 3.0657 3.0476 0.0000 H 0 0 0
- 1.8373 3.1660 0.0000 H 0 0 0
- 0.9250 -3.7892 0.0000 H 0 0 0
- 1.9318 -3.2654 0.0000 H 0 0 0
- 0.2067 1.2101 0.0000 H 0 0 0
- 1.4707 0.9223 0.0000 H 0 0 0
- -2.0438 -3.5039 0.0000 H 0 0 0
- -0.9612 -3.9372 0.0000 H 0 0 0
- -0.4737 3.7723 0.0000 H 0 0 0
- -1.6688 3.5590 0.0000 H 0 0 0
- -3.1701 -2.2693 0.0000 H 0 0 0
- -2.4811 -2.9925 0.0000 H 0 0 0
- -2.1892 3.0486 0.0000 H 0 0 0
- -2.9584 2.4328 0.0000 H 0 0 0
- -4.0112 -1.5856 0.0000 H 0 0 0
- -3.9199 1.7951 0.0000 H 0 0 0
- -5.8905 -2.0204 0.0000 H 0 0 0
- -4.6530 -2.0515 0.0000 H 0 0 0
- -4.5417 2.2978 0.0000 H 0 0 0
- -5.7790 2.3309 0.0000 H 0 0 0
- -7.4320 -0.3663 0.0000 H 0 0 0
- -6.8331 -1.4598 0.0000 H 0 0 0
- -6.7391 1.8250 0.0000 H 0 0 0
- -7.3974 0.7686 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 7 9 1 0
- 21 22 1 0
- 25 26 1 0
- 1 27 1 0
- 2 28 1 0
- 3 29 1 0
- 3 30 1 0
- 5 31 1 0
- 5 32 1 0
- 7 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 11 41 1 0
- 11 42 1 0
- 12 43 1 0
- 12 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 18 52 1 0
- 21 53 1 0
- 22 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 25 59 1 0
- 25 60 1 0
- 26 61 1 0
- 26 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-140-08-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -0.0125 -0.2919 -0.0773 P 0 0 0
- -1.1641 -1.0960 0.7096 O 0 0 0
- -0.1480 1.0474 0.8059 O 0 0 0
- 1.2012 -0.9058 0.7842 O 0 0 0
- -2.3109 -1.1146 -0.1427 C 0 0 0
- 0.0574 2.1493 -0.0805 C 0 0 0
- 2.2553 -1.1963 -0.1359 C 0 0 0
- -3.4485 -1.8682 0.5493 C 0 0 0
- -0.0587 3.4601 0.6999 C 0 0 0
- 3.4460 -1.7860 0.6225 C 0 0 0
- -4.8955 -1.8917 -0.5261 Cl 0 0 0
- 0.2005 4.8504 -0.4185 Cl 0 0 0
- 4.7761 -2.1524 -0.5383 Cl 0 0 0
- -1.9938 -0.1506 0.0000 H 0 0 0
- -3.1177 -0.4990 0.0000 H 0 0 0
- 0.8851 1.5621 0.0000 H 0 0 0
- 0.9376 2.6545 0.0000 H 0 0 0
- 3.0626 -0.5813 0.0000 H 0 0 0
- 2.0626 -0.1999 0.0000 H 0 0 0
- -3.7656 -2.8322 0.0000 H 0 0 0
- -2.6417 -2.4838 0.0000 H 0 0 0
- -0.8864 4.0473 0.0000 H 0 0 0
- -0.9389 2.9549 0.0000 H 0 0 0
- 2.6387 -2.4010 0.0000 H 0 0 0
- 3.6388 -2.7824 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6066-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0000 -1.9270 0.0020 O 0 0 0
- 0.0000 -0.5110 0.0025 N 0 0 0
- 1.1258 0.2135 0.0001 C 0 0 0
- -1.1258 0.2135 -0.0002 C 0 0 0
- 2.2510 -0.2375 -0.0032 O 0 0 0
- 0.7711 1.6845 0.0015 C 0 0 0
- -2.2510 -0.2375 -0.0030 O 0 0 0
- -0.7711 1.6845 0.0013 C 0 0 0
- 0.0000 -2.9600 0.0000 H 0 0 0
- 1.7913 1.8468 0.0000 H 0 0 0
- 0.6897 2.7143 0.0000 H 0 0 0
- -0.6897 2.7143 0.0000 H 0 0 0
- -1.7913 1.8468 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 6 8 1 0
- 1 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10605-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -1.8862 0.7912 -0.0024 C 0 0 0
- -1.4930 -0.5573 -0.0015 C 0 0 0
- -0.7172 1.5327 -0.0022 N 0 0 0
- -3.2337 1.1194 0.0018 C 0 0 0
- -0.1345 -0.5773 -0.0008 N 0 0 0
- -2.4681 -1.5581 -0.0015 C 0 0 0
- 0.3230 0.6488 -0.0012 C 0 0 0
- -4.1839 0.1195 0.0068 C 0 0 0
- -3.8010 -1.2138 -0.0023 C 0 0 0
- 1.6627 0.9975 -0.0007 N 0 0 0
- 2.6089 0.0377 0.0003 C 0 0 0
- 3.9118 0.3768 0.0008 O 0 0 0
- 2.2860 -1.1336 0.0008 O 0 0 0
- 4.9311 -0.6573 0.0019 C 0 0 0
- -0.6453 2.5647 0.0000 H 0 0 0
- -3.5255 2.1119 0.0000 H 0 0 0
- -2.1894 -2.5544 0.0000 H 0 0 0
- -5.1887 0.3655 0.0000 H 0 0 0
- -4.5226 -1.9551 0.0000 H 0 0 0
- 1.9376 1.9948 0.0000 H 0 0 0
- 4.1943 -1.3835 0.0000 H 0 0 0
- 5.6573 -1.3941 0.0000 H 0 0 0
- 5.6679 0.0689 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 5 7 2 0
- 8 9 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 14 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68743-68-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 3.7370 0.1417 0.2150 C 0 0 0
- 2.3029 0.1176 0.5442 C 0 0 0
- 4.6707 0.6531 1.1288 C 0 0 0
- 4.1937 -0.3498 -1.0115 C 0 0 0
- 1.3114 -0.4347 -0.4472 C 0 0 0
- 1.9190 0.5420 1.6132 O 0 0 0
- 6.0062 0.6527 0.7698 C 0 0 0
- 5.4769 -0.3276 -1.3048 N 0 0 0
- -0.0994 -0.3438 0.1378 C 0 0 0
- 6.3757 0.1529 -0.4667 C 0 0 0
- -1.1060 -0.9045 -0.8687 C 0 0 0
- -2.4569 -0.8174 -0.3085 N 0 0 0
- -3.2033 0.2852 -0.5176 C 0 0 0
- -2.9319 -1.7959 0.3849 N 0 0 0
- -4.4440 0.3652 -0.0032 O 0 0 0
- -2.7563 1.2061 -1.1702 O 0 0 0
- -4.0550 -1.7235 0.8506 O 0 0 0
- -5.2482 1.5530 -0.2284 C 0 0 0
- -6.6052 1.3879 0.4586 C 0 0 0
- 4.4566 1.4903 0.0000 H 0 0 0
- 3.8553 -1.1449 0.0000 H 0 0 0
- 0.9772 -1.2316 0.0000 H 0 0 0
- 1.9555 -1.0109 0.0000 H 0 0 0
- 6.3954 1.4242 0.0000 H 0 0 0
- 0.2348 0.4531 0.0000 H 0 0 0
- -0.7435 0.2324 0.0000 H 0 0 0
- 7.2187 -0.0371 0.0000 H 0 0 0
- -1.4402 -1.7014 0.0000 H 0 0 0
- -0.4620 -1.4807 0.0000 H 0 0 0
- -4.4653 1.9188 0.0000 H 0 0 0
- -5.4863 2.3837 0.0000 H 0 0 0
- -6.7096 2.2457 0.0000 H 0 0 0
- -7.4630 1.2835 0.0000 H 0 0 0
- -6.5008 0.5301 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 2 0
- 15 18 1 0
- 18 19 1 0
- 8 10 2 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-505-29-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.6516 1.3912 -0.3959 C 0 0 0
- -0.6516 1.3912 0.3959 C 0 0 0
- 1.6927 0.0000 0.1142 S 0 0 0
- -1.6927 0.0000 -0.1142 S 0 0 0
- 0.6516 -1.3912 -0.3959 C 0 0 0
- -0.6516 -1.3912 0.3959 C 0 0 0
- 1.8371 1.9325 0.0000 H 0 0 0
- 0.3746 2.6646 0.0000 H 0 0 0
- -0.3746 2.6646 0.0000 H 0 0 0
- -1.8371 1.9325 0.0000 H 0 0 0
- 0.3746 -2.6646 0.0000 H 0 0 0
- 1.8371 -1.9325 0.0000 H 0 0 0
- -1.8371 -1.9325 0.0000 H 0 0 0
- -0.3746 -2.6646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 1.3477 -0.0002 -0.0013 C 0 0 0
- -0.1358 0.0000 -0.0011 C 0 0 0
- 2.0458 1.1352 -0.4104 C 0 0 0
- 2.0455 -1.1334 0.4130 C 0 0 0
- -0.8352 -1.1336 -0.4118 C 0 0 0
- -0.8347 1.1314 0.4150 C 0 0 0
- 3.4242 1.1330 -0.4098 C 0 0 0
- 3.4243 -1.1314 0.4120 C 0 0 0
- -2.2149 -1.1285 -0.4098 C 0 0 0
- -2.2148 1.1266 0.4133 C 0 0 0
- 4.1183 -0.0004 -0.0017 C 0 0 0
- -2.9047 0.0003 -0.0009 C 0 0 0
- 5.5141 -0.0007 -0.0023 N 0 0 0
- -4.6407 0.0006 -0.0013 Cl 0 0 0
- 1.5587 2.0081 0.0000 H 0 0 0
- 1.5586 -2.0065 0.0000 H 0 0 0
- -0.3497 -2.0074 0.0000 H 0 0 0
- -0.3493 2.0053 0.0000 H 0 0 0
- 3.9135 2.0047 0.0000 H 0 0 0
- 3.9131 -2.0034 0.0000 H 0 0 0
- -2.7055 -1.9995 0.0000 H 0 0 0
- -2.7048 1.9979 0.0000 H 0 0 0
- 6.0137 -0.8665 0.0000 H 0 0 0
- 6.0141 0.8649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 8 11 2 0
- 10 12 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-484-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.7090 -0.6529 0.0021 C 0 0 0
- -0.7091 -0.6529 0.0018 C 0 0 0
- 1.3661 0.5994 0.0007 C 0 0 0
- 1.3994 -1.8693 -0.0022 C 0 0 0
- -1.3662 0.5993 0.0003 C 0 0 0
- -1.3993 -1.8694 0.0027 C 0 0 0
- 0.6404 1.7006 -0.0006 N 0 0 0
- 2.7540 0.6684 0.0013 N 0 0 0
- 0.6963 -3.0382 -0.0065 C 0 0 0
- -0.6404 1.7006 -0.0008 N 0 0 0
- -2.7540 0.6684 -0.0004 N 0 0 0
- -0.6962 -3.0383 0.0036 C 0 0 0
- 3.3773 1.8839 0.0001 N 0 0 0
- -3.3773 1.8839 -0.0018 N 0 0 0
- 2.4415 -1.8825 0.0000 H 0 0 0
- -2.4414 -1.8827 0.0000 H 0 0 0
- 3.3193 -0.2071 0.0000 H 0 0 0
- 1.2093 -3.9453 0.0000 H 0 0 0
- -3.3193 -0.2071 0.0000 H 0 0 0
- -1.2091 -3.9455 0.0000 H 0 0 0
- 4.4181 1.9357 0.0000 H 0 0 0
- 2.8120 2.7594 0.0000 H 0 0 0
- -2.8120 2.7594 0.0000 H 0 0 0
- -4.4181 1.9357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 7 10 2 0
- 9 12 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114460-39-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.1477 -0.7905 0.0192 C 0 0 0
- -1.3248 -0.0328 0.0535 C 0 0 0
- 1.1967 -0.2128 -0.0182 C 0 0 0
- -0.2459 -2.2033 -0.0095 C 0 0 0
- -2.5426 -0.6677 -0.2448 C 0 0 0
- -1.6755 1.2521 0.3984 N 0 0 0
- 2.3125 -1.0581 0.1938 C 0 0 0
- 1.4215 1.1351 -0.3001 C 0 0 0
- -1.4817 -2.8149 -0.2848 C 0 0 0
- 0.8953 -2.9968 0.2428 C 0 0 0
- -2.5986 -2.0591 -0.4257 C 0 0 0
- -3.4926 0.2993 -0.3249 N 0 0 0
- -2.9771 1.4353 0.0332 C 0 0 0
- -0.8677 2.2634 1.0854 C 0 0 0
- 2.1218 -2.4491 0.3571 C 0 0 0
- 3.6038 -0.5113 0.2235 C 0 0 0
- 2.7027 1.6435 -0.2990 C 0 0 0
- -3.7062 2.7526 0.0701 C 0 0 0
- 3.7916 0.8145 -0.0241 C 0 0 0
- 2.9088 2.9590 -0.5690 O 0 0 0
- 0.6200 1.7821 0.0000 H 0 0 0
- -1.5514 -3.8426 0.0000 H 0 0 0
- 0.7988 -4.0223 0.0000 H 0 0 0
- -3.5179 -2.5236 0.0000 H 0 0 0
- -0.0629 1.6206 0.0000 H 0 0 0
- -0.2249 3.0682 0.0000 H 0 0 0
- -1.6725 2.9062 0.0000 H 0 0 0
- 2.9458 -3.0671 0.0000 H 0 0 0
- 4.4204 -1.1391 0.0000 H 0 0 0
- -2.8050 3.2514 0.0000 H 0 0 0
- -4.2050 3.6538 0.0000 H 0 0 0
- -4.6074 2.2538 0.0000 H 0 0 0
- 4.7444 1.2058 0.0000 H 0 0 0
- 3.0682 3.9766 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 2 0
- 13 18 1 0
- 16 19 2 0
- 17 20 1 0
- 9 11 2 0
- 10 15 2 0
- 12 13 2 0
- 17 19 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 1.0228 -0.0745 0.0701 N 0 0 0
- -0.2226 -0.7397 -0.3354 C 0 0 0
- 2.1264 -0.8759 -0.4756 C 0 0 0
- 1.0563 1.2190 -0.6255 C 0 0 0
- -1.4195 0.0469 0.2027 C 0 0 0
- 3.0189 -1.3607 0.6687 C 0 0 0
- 1.4735 2.3155 0.3565 C 0 0 0
- -2.7166 -0.6459 -0.2196 C 0 0 0
- -3.8658 0.1094 0.2970 N 0 0 0
- -0.9210 -1.4929 0.0000 H 0 0 0
- 0.4046 -1.5531 0.0000 H 0 0 0
- 1.2072 -1.3343 0.0000 H 0 0 0
- 2.1084 -1.9029 0.0000 H 0 0 0
- 0.3222 1.9374 0.0000 H 0 0 0
- 0.1044 0.8331 0.0000 H 0 0 0
- -0.7211 0.8001 0.0000 H 0 0 0
- -2.0467 0.8603 0.0000 H 0 0 0
- 2.5286 -2.2633 0.0000 H 0 0 0
- 3.9215 -1.8510 0.0000 H 0 0 0
- 3.5092 -0.4581 0.0000 H 0 0 0
- 2.4335 1.9502 0.0000 H 0 0 0
- 1.8388 3.2755 0.0000 H 0 0 0
- 0.5135 2.6808 0.0000 H 0 0 0
- -3.4150 -1.3991 0.0000 H 0 0 0
- -2.0894 -1.4593 0.0000 H 0 0 0
- -3.8064 1.1348 0.0000 H 0 0 0
- -4.7835 -0.3519 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39720-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.1362 0.0198 -0.4135 C 0 0 0
- -0.4957 -1.1780 -0.1298 C 0 0 0
- -0.4650 1.2209 -0.2382 C 0 0 0
- -2.4172 0.0158 -0.8678 O 0 0 0
- 0.8080 -1.1716 0.3263 C 0 0 0
- 0.8391 1.2220 0.2183 C 0 0 0
- -3.4384 -0.0098 0.0035 C 0 0 0
- 1.4750 0.0273 0.5003 C 0 0 0
- -4.8538 -0.1380 -0.4980 C 0 0 0
- -3.2227 0.0699 1.1897 O 0 0 0
- 2.8972 0.0314 0.9985 C 0 0 0
- 4.0260 -0.0468 -0.4052 Cl 0 0 0
- -1.0059 -2.0341 0.0000 H 0 0 0
- -0.9697 2.0802 0.0000 H 0 0 0
- 1.3152 -2.0294 0.0000 H 0 0 0
- 1.3518 2.0765 0.0000 H 0 0 0
- -4.9437 0.8545 0.0000 H 0 0 0
- -5.8463 -0.2279 0.0000 H 0 0 0
- -4.7639 -1.1305 0.0000 H 0 0 0
- 3.4339 0.8711 0.0000 H 0 0 0
- 2.4173 0.9048 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6149-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.0243 -1.8989 0.0074 O 0 0 0
- -0.1753 -1.2608 0.0050 C 0 0 0
- 1.9827 -0.9342 0.0035 C 0 0 0
- -0.7916 -0.9442 -1.1970 C 0 0 0
- -0.7889 -0.9297 1.2050 C 0 0 0
- 2.4754 -0.4417 1.2029 C 0 0 0
- 2.4713 -0.4471 -1.2003 C 0 0 0
- -2.0116 -0.2958 -1.1966 C 0 0 0
- -2.0085 -0.2815 1.1997 C 0 0 0
- 3.4491 0.5378 1.1997 C 0 0 0
- 3.4447 0.5321 -1.2051 C 0 0 0
- -2.6182 0.0376 0.0002 C 0 0 0
- 3.9348 1.0296 -0.0045 C 0 0 0
- -3.9250 0.7327 -0.0024 N 0 3 0
- 4.9212 2.0219 -0.0086 N 0 0 0
- -4.4604 1.0269 1.0513 O 0 0 0
- -4.4650 1.0105 -1.0583 O 0 5 0
- -1.0340 -1.4080 0.0000 H 0 0 0
- -0.5418 -0.4683 0.0000 H 0 0 0
- 2.8460 -0.8112 0.0000 H 0 0 0
- 2.8416 -0.8169 0.0000 H 0 0 0
- -2.2605 -0.7562 0.0000 H 0 0 0
- -1.7644 0.1814 0.0000 H 0 0 0
- 3.8209 0.1694 0.0000 H 0 0 0
- 3.8167 0.1640 0.0000 H 0 0 0
- 5.4271 1.8880 0.0000 H 0 0 0
- 4.7842 2.5270 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 2 0
- 17 14 1 0
- 9 12 1 0
- 11 13 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-92-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 2.5904 -0.1032 -0.3234 C 0 0 0
- 1.3315 0.7060 -0.0052 C 0 0 0
- 3.8255 0.7798 -0.1346 C 0 0 0
- 2.6749 -1.3063 0.6182 C 0 0 0
- 0.0964 -0.1771 -0.1939 C 0 0 0
- -1.0983 0.5909 0.1081 O 0 0 0
- -2.3077 0.0169 0.0101 C 0 0 0
- -3.5477 0.8139 0.3236 C 0 0 0
- -2.4022 -1.1388 -0.3294 O 0 0 0
- 1.6566 -0.6564 0.0000 H 0 0 0
- 2.0287 1.5378 0.0000 H 0 0 0
- 0.5941 1.5024 0.0000 H 0 0 0
- 4.4567 -0.1031 0.0000 H 0 0 0
- 4.7084 1.4110 0.0000 H 0 0 0
- 3.1943 1.6627 0.0000 H 0 0 0
- 1.5922 -1.3823 0.0000 H 0 0 0
- 2.7509 -2.3890 0.0000 H 0 0 0
- 3.7576 -1.2303 0.0000 H 0 0 0
- -0.6008 -1.0089 0.0000 H 0 0 0
- 0.8338 -0.9735 0.0000 H 0 0 0
- -2.9609 1.7269 0.0000 H 0 0 0
- -4.4607 1.4007 0.0000 H 0 0 0
- -4.1345 -0.0991 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 2 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-36712-34-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.6508 0.4797 -0.0078 C 0 0 0
- -1.3767 -0.7097 0.0164 C 0 0 0
- 0.8327 0.4468 -0.0089 C 0 0 0
- -1.3231 1.6995 -0.0366 C 0 0 0
- -2.7562 -0.6733 0.0174 C 0 0 0
- -0.6692 -2.0097 0.0404 N 0 3 0
- 1.5291 0.3561 -1.2122 C 0 0 0
- 1.5346 0.5124 1.1932 C 0 0 0
- -2.7033 1.7241 -0.0411 C 0 0 0
- -3.4186 0.5410 -0.0055 C 0 0 0
- -1.2986 -3.0475 -0.0619 O 0 0 0
- 0.5422 -2.0416 0.1624 O 0 5 0
- 2.9091 0.3264 -1.2074 C 0 0 0
- 2.9142 0.4819 1.1863 C 0 0 0
- -4.8985 0.5737 -0.0043 N 0 3 0
- 3.6005 0.3865 -0.0111 C 0 0 0
- -5.4840 1.6416 -0.0244 O 0 0 0
- -5.5307 -0.4671 0.0168 O 0 5 0
- 5.0804 0.3537 -0.0123 N 0 3 0
- 5.6915 0.4065 1.0400 O 0 0 0
- 5.6869 0.2740 -1.0655 O 0 5 0
- -0.7888 2.5859 0.0000 H 0 0 0
- -3.2962 -1.5562 0.0000 H 0 0 0
- 1.4510 -0.6759 0.0000 H 0 0 0
- 1.4978 1.5467 0.0000 H 0 0 0
- -3.2037 2.6301 0.0000 H 0 0 0
- 2.9428 -0.7080 0.0000 H 0 0 0
- 2.9970 1.5135 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 13 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 10 2 0
- 14 16 1 0
- 4 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 13 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54827-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -3.5124 -0.0001 0.0012 C 0 0 0
- -2.8187 -1.1327 -0.4098 C 0 0 0
- -2.8181 1.1319 0.4113 C 0 0 0
- -4.9086 0.0022 -0.0037 N 0 0 0
- -1.4403 -1.1352 -0.4112 C 0 0 0
- -3.5744 -2.3587 -0.8535 C 0 0 0
- -1.4392 1.1338 0.4114 C 0 0 0
- -3.5727 2.3582 0.8558 C 0 0 0
- -0.7416 -0.0007 -0.0002 C 0 0 0
- 0.7416 -0.0009 -0.0014 C 0 0 0
- 1.4396 1.1347 -0.4105 C 0 0 0
- 1.4398 -1.1343 0.4119 C 0 0 0
- 2.8181 1.1325 -0.4103 C 0 0 0
- 2.8187 -1.1321 0.4104 C 0 0 0
- 3.5124 -0.0007 -0.0023 C 0 0 0
- 3.5730 2.3596 -0.8523 C 0 0 0
- 3.5741 -2.3572 0.8572 C 0 0 0
- 4.9086 -0.0007 -0.0030 N 0 0 0
- -5.4241 0.8984 0.0000 H 0 0 0
- -5.4270 -0.8923 0.0000 H 0 0 0
- -0.9369 -2.0383 0.0000 H 0 0 0
- -4.4545 -1.8162 0.0000 H 0 0 0
- -4.1169 -3.2388 0.0000 H 0 0 0
- -2.6943 -2.9012 0.0000 H 0 0 0
- -0.9353 2.0366 0.0000 H 0 0 0
- -2.6922 2.9000 0.0000 H 0 0 0
- -4.1145 3.2387 0.0000 H 0 0 0
- -4.4532 1.8164 0.0000 H 0 0 0
- 0.9358 2.0375 0.0000 H 0 0 0
- 0.9364 -2.0373 0.0000 H 0 0 0
- 4.4536 1.8179 0.0000 H 0 0 0
- 4.1147 3.2402 0.0000 H 0 0 0
- 2.6924 2.9013 0.0000 H 0 0 0
- 2.6941 -2.8998 0.0000 H 0 0 0
- 4.1167 -3.2372 0.0000 H 0 0 0
- 4.4541 -1.8146 0.0000 H 0 0 0
- 5.4255 -0.8961 0.0000 H 0 0 0
- 5.4255 0.8947 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 7 9 2 0
- 14 15 2 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 8 28 1 0
- 11 29 1 0
- 12 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6860 -0.4911 -0.0015 C 0 0 0
- -0.3081 0.4763 -0.0002 C 0 0 0
- 2.0205 -0.1112 -0.0017 C 0 0 0
- 0.3534 -1.8088 0.0030 O 0 0 0
- 0.0326 1.8152 0.0010 C 0 0 0
- -1.7326 0.0745 -0.0004 N 0 3 0
- 2.3559 1.2287 -0.0006 C 0 0 0
- 1.5787 -2.5440 0.0002 C 0 0 0
- 1.3629 2.1912 0.0008 C 0 0 0
- -2.6051 0.9243 0.0008 O 0 0 0
- -2.0324 -1.1061 -0.0018 O 0 5 0
- 2.7653 -0.8325 0.0000 H 0 0 0
- -0.7101 2.5386 0.0000 H 0 0 0
- 3.3529 1.5131 0.0000 H 0 0 0
- 1.0453 -3.4331 0.0000 H 0 0 0
- 2.4678 -3.0774 0.0000 H 0 0 0
- 2.1121 -1.6549 0.0000 H 0 0 0
- 1.6166 3.1965 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 9 1 0
- 3 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-218-19-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.4315 0.5798 0.0021 C 0 0 0
- -0.4009 -0.5550 0.0009 C 0 0 0
- 1.8824 0.3824 0.0015 C 0 0 0
- -0.1272 1.8699 -0.0020 C 0 0 0
- -1.8527 -0.3593 0.0010 C 0 0 0
- 0.1600 -1.8445 -0.0010 C 0 0 0
- 2.3905 -0.9374 -0.0001 C 0 0 0
- 2.7663 1.4651 0.0019 C 0 0 0
- -1.4672 2.0570 -0.0074 C 0 0 0
- -2.3559 0.9621 0.0026 C 0 0 0
- -2.6902 -1.3933 -0.0007 N 0 0 0
- 1.4996 -2.0320 -0.0018 C 0 0 0
- 3.7800 -1.1348 -0.0008 C 0 0 0
- 4.1121 1.2386 0.0008 C 0 0 0
- -3.7481 1.1569 0.0026 C 0 0 0
- -3.9920 -1.2183 -0.0010 C 0 0 0
- 4.6158 -0.0581 0.0001 C 0 0 0
- -4.5557 0.0530 0.0012 C 0 0 0
- 0.5102 2.7076 0.0000 H 0 0 0
- -0.4768 -2.6826 0.0000 H 0 0 0
- 2.3958 2.4503 0.0000 H 0 0 0
- -1.8529 3.0364 0.0000 H 0 0 0
- 1.8844 -3.0117 0.0000 H 0 0 0
- 4.1751 -2.1104 0.0000 H 0 0 0
- 4.7768 2.0547 0.0000 H 0 0 0
- -4.1581 2.1264 0.0000 H 0 0 0
- -4.6236 -2.0603 0.0000 H 0 0 0
- 5.6574 -0.2100 0.0000 H 0 0 0
- -5.6023 0.1655 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-14-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.0804 -0.1868 0.0000 C 0 0 0
- -1.2807 0.7620 0.0000 C 0 0 0
- 1.2142 0.6286 0.0000 C 0 0 0
- -2.5559 -0.0411 0.0000 C 0 0 0
- 2.4144 -0.3202 0.0000 C 0 0 0
- -3.7433 0.5849 0.0000 O 0 0 0
- -2.5094 -1.2484 0.0000 O 0 0 0
- 3.7091 0.4951 0.0000 C 0 0 0
- 4.9093 -0.4537 0.0000 C 0 0 0
- -0.8892 -1.0008 0.0000 H 0 0 0
- 0.6370 -1.0824 0.0000 H 0 0 0
- -0.4719 1.5760 0.0000 H 0 0 0
- -1.9980 1.6576 0.0000 H 0 0 0
- 2.0230 1.4426 0.0000 H 0 0 0
- 0.4969 1.5242 0.0000 H 0 0 0
- 1.6056 -1.1341 0.0000 H 0 0 0
- 3.1317 -1.2158 0.0000 H 0 0 0
- -4.7583 1.1200 0.0000 H 0 0 0
- 4.5179 1.3090 0.0000 H 0 0 0
- 2.9918 1.3907 0.0000 H 0 0 0
- 4.1977 -1.3538 0.0000 H 0 0 0
- 5.8094 -1.1653 0.0000 H 0 0 0
- 5.6209 0.4464 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115664-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.3939 -0.9488 -0.0021 C 0 0 0
- -1.4732 -0.0360 -0.0016 C 0 0 0
- 0.9397 -0.4918 -0.0014 C 0 0 0
- -0.6592 -2.3373 0.0027 C 0 0 0
- -1.2431 1.3554 -0.0005 C 0 0 0
- -2.7976 -0.5279 -0.0019 C 0 0 0
- 1.2141 0.9555 -0.0003 C 0 0 0
- 1.9797 -1.4154 -0.0014 C 0 0 0
- -1.9984 -2.7964 0.0082 C 0 0 0
- 0.4114 -3.2384 0.0023 C 0 0 0
- 0.1388 1.8651 0.0002 C 0 0 0
- -2.3247 2.2306 0.0005 C 0 0 0
- -3.0292 -1.9233 -0.0022 C 0 0 0
- -3.8673 0.3822 -0.0013 C 0 0 0
- 2.5234 1.4360 0.0008 C 0 0 0
- 1.7085 -2.7728 -0.0020 C 0 0 0
- 3.3834 -0.9445 -0.0011 N 0 3 0
- 0.3950 3.2364 0.0013 C 0 0 0
- -3.6188 1.7434 0.0003 C 0 0 0
- -5.1461 -0.0740 -0.0014 O 0 0 0
- 2.7549 2.7940 0.0023 C 0 0 0
- 3.9607 -0.7499 -1.0559 O 0 0 0
- 3.9609 -0.7516 1.0538 O 0 5 0
- 1.6956 3.6901 0.0019 C 0 0 0
- -2.1921 -3.8245 0.0000 H 0 0 0
- 0.2267 -4.2681 0.0000 H 0 0 0
- -2.1579 3.2634 0.0000 H 0 0 0
- -4.0113 -2.2838 0.0000 H 0 0 0
- 3.3276 0.7669 0.0000 H 0 0 0
- 2.5007 -3.4560 0.0000 H 0 0 0
- -0.3984 3.9183 0.0000 H 0 0 0
- -4.4219 2.4139 0.0000 H 0 0 0
- -6.1314 -0.4255 0.0000 H 0 0 0
- 3.7377 3.1526 0.0000 H 0 0 0
- 1.8862 4.7187 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 15 21 2 0
- 17 22 2 0
- 17 23 1 0
- 18 24 2 0
- 7 11 2 0
- 9 13 2 0
- 10 16 1 0
- 14 19 2 0
- 21 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 24 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6449-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 83 1 V2000
- 9.5761 -1.8079 1.0689 S 0 0 0
- 10.4082 -1.2278 2.0641 O 0 0 0
- 10.0100 -2.7009 0.0523 O 0 0 0
- 8.4789 -2.5435 1.8248 O 0 0 0
- 8.8212 -0.4558 0.2283 C 0 0 0
- 9.6219 0.4897 -0.4407 C 0 0 0
- 7.4705 -0.3323 0.2231 C 0 0 0
- 9.0115 1.5760 -1.1164 C 0 0 0
- 11.0216 0.3749 -0.4499 C 0 0 0
- 6.8450 0.7390 -0.4420 C 0 0 0
- 7.6084 1.6955 -1.1107 C 0 0 0
- 9.8169 2.5157 -1.7813 C 0 0 0
- 11.7713 1.3045 -1.1048 C 0 0 0
- 5.4860 0.8414 -0.4335 N 0 0 0
- 7.0060 2.7276 -1.7514 O 0 0 0
- 11.1710 2.3719 -1.7687 C 0 0 0
- 4.7765 -0.0421 0.1830 N 0 0 0
- 3.4169 0.0603 0.1915 C 0 0 0
- 2.6431 -0.9006 0.8621 C 0 0 0
- 2.7901 1.1262 -0.4631 C 0 0 0
- 3.2456 -1.9346 1.5035 O 0 0 0
- 1.2650 -0.7896 0.8659 C 0 0 0
- 1.4289 1.2303 -0.4556 C 0 0 0
- 2.2046 -2.7267 2.0788 C 0 0 0
- 0.6526 0.2747 0.2046 C 0 0 0
- -0.8236 0.3952 0.2071 C 0 0 0
- -1.4193 1.6487 0.3449 C 0 0 0
- -1.6164 -0.7463 0.0657 C 0 0 0
- -2.7974 1.7592 0.3465 C 0 0 0
- -2.9778 -0.6437 0.0666 C 0 0 0
- -3.3836 2.9767 0.4798 O 0 0 0
- -3.5881 0.6070 0.2093 C 0 0 0
- -2.3281 3.9329 0.5964 C 0 0 0
- -4.9480 0.7076 0.2100 N 0 0 0
- -5.6732 -0.3517 0.0839 N 0 0 0
- -7.0315 -0.2513 0.0846 C 0 0 0
- -7.7811 -0.8874 -0.9232 C 0 0 0
- -7.6729 0.4768 1.0874 C 0 0 0
- -6.9499 -1.8074 -2.1751 S 0 0 0
- -9.1343 -0.8019 -0.9428 C 0 0 0
- -6.9508 1.0853 2.0603 O 0 0 0
- -9.0770 0.5734 1.0784 C 0 0 0
- -7.7681 -1.7107 -3.3329 O 0 0 0
- -5.5851 -1.4192 -2.0978 O 0 0 0
- -6.9870 -3.2723 -1.7637 O 0 0 0
- -9.8133 -0.0703 0.0516 C 0 0 0
- -9.7579 1.2980 2.0722 C 0 0 0
- -11.2127 0.0268 0.0446 C 0 0 0
- -11.1148 1.3777 2.0440 C 0 0 0
- -11.8499 0.7496 1.0315 C 0 0 0
- -13.2410 0.8477 1.0261 N 0 0 0
- 7.6600 -3.0925 0.0000 H 0 0 0
- 6.9412 -1.1641 0.0000 H 0 0 0
- 11.4102 -0.5312 0.0000 H 0 0 0
- 9.4529 3.4319 0.0000 H 0 0 0
- 12.7538 1.2226 0.0000 H 0 0 0
- 6.5090 3.5791 0.0000 H 0 0 0
- 11.7131 3.1954 0.0000 H 0 0 0
- 3.3119 1.9627 0.0000 H 0 0 0
- 0.7375 -1.6225 0.0000 H 0 0 0
- 1.0394 2.1360 0.0000 H 0 0 0
- 1.6076 -1.9421 0.0000 H 0 0 0
- 1.4200 -3.3237 0.0000 H 0 0 0
- 2.8016 -3.5113 0.0000 H 0 0 0
- -0.8597 2.4604 0.0000 H 0 0 0
- -1.1927 -1.6365 0.0000 H 0 0 0
- -3.5312 -1.4596 0.0000 H 0 0 0
- -1.6662 3.2022 0.0000 H 0 0 0
- -1.5974 4.5948 0.0000 H 0 0 0
- -2.9900 4.6636 0.0000 H 0 0 0
- -9.5568 -1.6927 0.0000 H 0 0 0
- -6.1969 1.7206 0.0000 H 0 0 0
- -7.0120 -4.2579 0.0000 H 0 0 0
- -9.3401 2.1910 0.0000 H 0 0 0
- -11.6493 -0.8572 0.0000 H 0 0 0
- -11.4289 2.3122 0.0000 H 0 0 0
- -13.6727 1.7341 0.0000 H 0 0 0
- -13.7928 0.0307 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 1 0
- 15 11 1 0
- 16 12 2 0
- 17 14 2 0
- 18 17 1 0
- 19 18 2 0
- 20 18 1 0
- 21 19 1 0
- 22 19 1 0
- 23 20 2 0
- 24 21 1 0
- 25 22 2 0
- 26 25 1 0
- 27 26 2 0
- 28 26 1 0
- 29 27 1 0
- 30 28 2 0
- 31 29 1 0
- 32 29 2 0
- 33 31 1 0
- 34 32 1 0
- 35 34 2 0
- 36 35 1 0
- 37 36 2 0
- 38 36 1 0
- 39 37 1 0
- 40 37 1 0
- 41 38 1 0
- 42 38 2 0
- 43 39 2 0
- 44 39 2 0
- 45 39 1 0
- 46 40 2 0
- 47 42 1 0
- 48 46 1 0
- 49 47 2 0
- 50 48 2 0
- 51 50 1 0
- 10 11 1 0
- 13 16 1 0
- 23 25 1 0
- 30 32 1 0
- 42 46 1 0
- 49 50 1 0
- 4 52 1 0
- 7 53 1 0
- 9 54 1 0
- 12 55 1 0
- 13 56 1 0
- 15 57 1 0
- 16 58 1 0
- 20 59 1 0
- 22 60 1 0
- 23 61 1 0
- 24 62 1 0
- 24 63 1 0
- 24 64 1 0
- 27 65 1 0
- 28 66 1 0
- 30 67 1 0
- 33 68 1 0
- 33 69 1 0
- 33 70 1 0
- 40 71 1 0
- 41 72 1 0
- 45 73 1 0
- 47 74 1 0
- 48 75 1 0
- 49 76 1 0
- 51 77 1 0
- 51 78 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-88-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.2410 1.1979 0.0030 C 0 0 0
- -0.9329 0.0001 0.0019 C 0 0 0
- 1.1413 1.1973 0.0026 C 0 0 0
- -0.9807 2.4800 -0.0015 N 0 3 0
- -0.2407 -1.1981 0.0004 C 0 0 0
- -2.6689 0.0000 0.0031 Cl 0 0 0
- 1.8322 0.0002 0.0010 C 0 0 0
- -0.3714 3.5347 -0.0006 O 0 0 0
- -2.1987 2.4804 -0.0062 O 0 5 0
- 1.1412 -1.1974 0.0000 C 0 0 0
- -0.9803 -2.4803 -0.0012 N 0 3 0
- 3.3124 0.0002 0.0000 N 0 3 0
- -0.3709 -3.5348 -0.0026 O 0 0 0
- -2.1983 -2.4807 -0.0012 O 0 5 0
- 3.9214 -1.0546 -0.0013 O 0 0 0
- 3.9213 1.0551 0.0006 O 0 5 0
- 1.6599 2.0949 0.0000 H 0 0 0
- 1.6599 -2.0950 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 7 10 1 0
- 3 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68140-48-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 0.3229 0.3092 0.4255 C 0 0 0
- 0.4926 -1.0075 0.0318 C 0 0 0
- 1.6692 0.9258 0.7412 C 0 0 0
- -0.9444 0.8552 0.4840 C 0 0 0
- 1.9647 -1.3618 0.0571 C 0 0 0
- -0.6079 -1.7793 -0.3090 C 0 0 0
- 2.6286 -0.2694 0.9218 C 0 0 0
- 2.1311 1.7761 -0.4439 C 0 0 0
- -2.0572 0.0803 0.1461 C 0 0 0
- 2.1684 -2.7386 0.6926 C 0 0 0
- 2.5398 -1.3420 -1.3605 C 0 0 0
- -1.8772 -1.2457 -0.2595 C 0 0 0
- 3.9976 0.0825 0.3361 C 0 0 0
- 1.0459 1.7802 -1.5224 C 0 0 0
- 2.3883 3.2092 0.0263 C 0 0 0
- -3.4090 0.6588 0.2078 C 0 0 0
- -3.0680 -2.0911 -0.6315 C 0 0 0
- -4.0874 0.8483 1.5401 C 0 0 0
- -3.9769 0.9831 -0.8133 O 0 0 0
- 0.9696 1.6747 0.0000 H 0 0 0
- -1.0475 1.8748 0.0000 H 0 0 0
- -0.4986 -2.7983 0.0000 H 0 0 0
- 3.2391 -1.0926 0.0000 H 0 0 0
- 3.0981 1.4366 0.0000 H 0 0 0
- 1.1546 -2.8886 0.0000 H 0 0 0
- 2.3184 -3.7524 0.0000 H 0 0 0
- 3.1822 -2.5886 0.0000 H 0 0 0
- 2.5751 -2.3662 0.0000 H 0 0 0
- 3.5640 -1.3067 0.0000 H 0 0 0
- 2.5045 -0.3178 0.0000 H 0 0 0
- 4.2527 -0.9101 0.0000 H 0 0 0
- 4.9902 0.3376 0.0000 H 0 0 0
- 3.7425 1.0751 0.0000 H 0 0 0
- 1.0498 2.8050 0.0000 H 0 0 0
- 0.0211 1.7841 0.0000 H 0 0 0
- 1.0420 0.7554 0.0000 H 0 0 0
- 3.3970 3.0282 0.0000 H 0 0 0
- 2.5693 4.2179 0.0000 H 0 0 0
- 1.3796 3.3902 0.0000 H 0 0 0
- -3.6613 -1.2554 0.0000 H 0 0 0
- -3.9037 -2.6844 0.0000 H 0 0 0
- -2.4747 -2.9268 0.0000 H 0 0 0
- -3.8117 1.8354 0.0000 H 0 0 0
- -5.0745 1.1240 0.0000 H 0 0 0
- -4.3631 -0.1388 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 16 18 1 0
- 16 19 2 0
- 5 7 1 0
- 9 12 2 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
- 17 40 1 0
- 17 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-92-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.0000 0.4352 0.0080 C 0 0 0
- -1.2492 1.0847 0.6068 C 0 0 0
- 1.2492 1.0847 0.6068 C 0 0 0
- 0.0000 -1.0385 0.3229 C 0 0 0
- 0.0000 0.6196 -1.4090 O 0 0 0
- -2.4797 0.4450 0.0170 C 0 0 0
- 2.4797 0.4450 0.0170 C 0 0 0
- 0.0000 -1.4520 1.5999 O 0 0 0
- 0.0000 -1.8479 -0.5742 O 0 0 0
- -3.6988 0.8579 0.3977 O 0 0 0
- -2.3688 -0.4395 -0.7985 O 0 0 0
- 3.6988 0.8579 0.3977 O 0 0 0
- 2.3688 -0.4396 -0.7985 O 0 0 0
- -0.6396 1.8332 0.0000 H 0 0 0
- -1.8587 1.8333 0.0000 H 0 0 0
- 1.8587 1.8333 0.0000 H 0 0 0
- 0.6396 1.8332 0.0000 H 0 0 0
- 0.0000 1.5849 0.0000 H 0 0 0
- 0.0000 -2.4173 0.0000 H 0 0 0
- -4.6131 1.1676 0.0000 H 0 0 0
- 4.6131 1.1676 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 2 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 5 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51640-90-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.2697 -1.0950 0.0360 C 0 0 0
- -0.7283 -0.1154 -0.0863 C 0 0 0
- 1.6841 -0.6800 -0.0397 C 0 0 0
- -0.0835 -2.4276 0.2305 C 0 0 0
- -2.0623 -0.4867 -0.0089 C 0 0 0
- -0.3858 1.1830 -0.2868 O 0 0 0
- 1.9638 0.7040 0.0201 C 0 0 0
- 2.7254 -1.5885 -0.1648 C 0 0 0
- -1.4152 -2.7782 0.3059 C 0 0 0
- -2.4000 -1.8111 0.1838 C 0 0 0
- -3.1239 0.5373 -0.1325 N 0 3 0
- 0.8195 1.6257 0.1500 C 0 0 0
- 3.2786 1.1496 -0.0439 C 0 0 0
- 4.0259 -1.1280 -0.2282 C 0 0 0
- -4.2955 0.2112 -0.0646 O 0 0 0
- -2.8260 1.7060 -0.3022 O 0 5 0
- 0.9512 2.7354 0.6290 O 0 0 0
- 4.3006 0.2300 -0.1674 C 0 0 0
- 0.6477 -3.1600 0.0000 H 0 0 0
- 2.5314 -2.6051 0.0000 H 0 0 0
- -1.6807 -3.7785 0.0000 H 0 0 0
- -3.3968 -2.0895 0.0000 H 0 0 0
- 3.4872 2.1633 0.0000 H 0 0 0
- 4.8074 -1.8066 0.0000 H 0 0 0
- 5.2833 0.5548 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 11 16 1 0
- 12 17 2 0
- 13 18 2 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 4 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 18 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-11-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- 0.0000 -1.1919 0.0000 C 0 0 0
- -1.7653 0.0564 0.0000 I 0 0 0
- 1.7653 0.0564 0.0000 I 0 0 0
- -1.0799 -2.4016 0.0000 H 0 0 0
- 1.0799 -2.4016 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-568-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.5856 0.2456 -0.0433 C 0 0 0
- -0.0196 -1.0800 -0.1835 C 0 0 0
- 2.0514 0.3492 0.0033 C 0 0 0
- -0.2101 1.3760 0.0376 C 0 0 0
- -1.4024 -1.2145 -0.2314 C 0 0 0
- 0.8467 -2.2544 -0.2725 C 0 0 0
- 2.8287 -0.8244 -0.0879 C 0 0 0
- 2.6794 1.5887 0.1354 C 0 0 0
- -1.6015 1.2474 -0.0153 C 0 0 0
- 0.4200 2.7374 0.1814 C 0 0 0
- -2.2106 -0.0783 -0.1451 C 0 0 0
- -2.0263 -2.5786 -0.3763 C 0 0 0
- 2.1863 -2.1275 -0.2269 C 0 0 0
- 4.2264 -0.7236 -0.0433 C 0 0 0
- 4.0538 1.6551 0.1757 C 0 0 0
- -2.4419 2.3757 0.0641 C 0 0 0
- -3.6163 -0.1769 -0.1898 C 0 0 0
- -2.2576 -3.1365 0.9188 O 0 0 0
- 4.8184 0.4988 0.0868 C 0 0 0
- -3.7898 2.2126 0.0093 C 0 0 0
- -4.3703 0.9500 -0.1025 C 0 0 0
- 0.4194 -3.2101 0.0000 H 0 0 0
- 2.1100 2.4672 0.0000 H 0 0 0
- 1.3700 2.2977 0.0000 H 0 0 0
- 0.8597 3.6874 0.0000 H 0 0 0
- -0.5300 3.1771 0.0000 H 0 0 0
- -2.6432 -1.7328 0.0000 H 0 0 0
- -3.0658 -2.7025 0.0000 H 0 0 0
- 2.7805 -2.9894 0.0000 H 0 0 0
- 4.8140 -1.5900 0.0000 H 0 0 0
- 4.5271 2.5889 0.0000 H 0 0 0
- -2.0293 3.3378 0.0000 H 0 0 0
- -4.0769 -1.1170 0.0000 H 0 0 0
- -2.6585 -4.1036 0.0000 H 0 0 0
- 5.8629 0.5685 0.0000 H 0 0 0
- -4.4067 3.0584 0.0000 H 0 0 0
- -5.4139 0.8670 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 13 1 0
- 9 11 2 0
- 15 19 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2541-69-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.4312 0.2141 0.0034 C 0 0 0
- -0.0436 -1.1706 0.0005 C 0 0 0
- 1.8801 0.4618 0.0023 C 0 0 0
- -0.4702 1.2658 0.0014 C 0 0 0
- -1.4076 -1.4410 0.0010 C 0 0 0
- 0.9316 -2.2595 -0.0033 C 0 0 0
- 2.7671 -0.6353 -0.0015 C 0 0 0
- 2.3860 1.7627 0.0044 C 0 0 0
- -1.8426 0.9999 -0.0035 C 0 0 0
- -2.3212 -0.3846 0.0042 C 0 0 0
- -1.8974 -2.8662 -0.0015 C 0 0 0
- 2.2532 -2.0010 -0.0042 C 0 0 0
- 4.1488 -0.3971 -0.0026 C 0 0 0
- 3.7478 1.9640 0.0028 C 0 0 0
- -2.7881 2.0448 -0.0061 C 0 0 0
- -3.7111 -0.6213 0.0052 C 0 0 0
- 4.6203 0.8833 0.0000 C 0 0 0
- -4.1143 1.7487 -0.0112 C 0 0 0
- -4.5701 0.4313 0.0088 C 0 0 0
- -0.1253 2.2554 0.0000 H 0 0 0
- 0.5983 -3.2531 0.0000 H 0 0 0
- 1.7325 2.5819 0.0000 H 0 0 0
- -2.8885 -2.5256 0.0000 H 0 0 0
- -2.2380 -3.8573 0.0000 H 0 0 0
- -0.9063 -3.2068 0.0000 H 0 0 0
- 2.9299 -2.8012 0.0000 H 0 0 0
- 4.8194 -1.2024 0.0000 H 0 0 0
- 4.1291 2.9401 0.0000 H 0 0 0
- -2.4706 3.0435 0.0000 H 0 0 0
- -4.0791 -1.6025 0.0000 H 0 0 0
- 5.6543 1.0536 0.0000 H 0 0 0
- -4.8121 2.5305 0.0000 H 0 0 0
- -5.6019 0.2481 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 7 12 2 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4450-68-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -2.8957 -0.1644 -0.0930 C 0 0 0
- -2.0137 -1.6893 -0.1303 S 0 0 0
- -2.9646 0.6222 -1.2279 C 0 0 0
- -3.5234 0.2426 1.0691 C 0 0 0
- -0.5560 -1.3648 -0.4241 O 0 0 0
- -2.0385 -2.1823 1.2023 O 0 0 0
- -2.4925 -2.3845 -1.2734 O 0 0 0
- -3.6564 1.8184 -1.1986 C 0 0 0
- -4.2155 1.4391 1.0984 C 0 0 0
- -0.0591 -0.6396 0.7025 C 0 0 0
- -4.2795 2.2283 -0.0345 C 0 0 0
- 1.3878 -0.2860 0.4737 C 0 0 0
- -5.0338 3.5325 -0.0026 C 0 0 0
- 1.7809 1.0394 0.4553 C 0 0 0
- 2.3228 -1.2867 0.2879 C 0 0 0
- 3.1080 1.3638 0.2455 C 0 0 0
- 3.6503 -0.9623 0.0781 C 0 0 0
- 4.0423 0.3629 0.0540 C 0 0 0
- 5.4635 0.7102 -0.1707 N 0 3 0
- 6.2866 -0.1715 -0.3395 O 0 0 0
- 5.8099 1.8778 -0.1869 O 0 5 0
- -1.9863 0.9311 0.0000 H 0 0 0
- -4.2670 -0.4642 0.0000 H 0 0 0
- -2.9104 2.5227 0.0000 H 0 0 0
- -5.1948 1.1333 0.0000 H 0 0 0
- -0.0176 0.3855 0.0000 H 0 0 0
- -1.0327 -0.3163 0.0000 H 0 0 0
- -4.1457 4.0461 0.0000 H 0 0 0
- -5.5474 4.4206 0.0000 H 0 0 0
- -5.9219 3.0189 0.0000 H 0 0 0
- 1.0733 1.7822 0.0000 H 0 0 0
- 2.0296 -2.2698 0.0000 H 0 0 0
- 3.4014 2.3469 0.0000 H 0 0 0
- 4.3581 -1.7049 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 11 2 0
- 17 18 2 0
- 3 22 1 0
- 4 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5000-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.4564 0.1946 -0.0050 C 0 0 0
- -1.5529 -0.8393 -0.0056 C 0 0 0
- -0.7357 1.3745 -0.0006 O 0 0 0
- 0.9534 -0.2280 -0.0035 C 0 0 0
- -3.3013 0.0598 0.0013 Br 0 0 0
- 1.9727 0.7283 -0.0029 C 0 0 0
- 1.2790 -1.5883 0.0032 C 0 0 0
- 3.2961 0.3221 -0.0010 C 0 0 0
- 2.6013 -1.9794 0.0050 C 0 0 0
- 4.2906 1.2484 0.0000 O 0 0 0
- 3.6083 -1.0309 0.0002 C 0 0 0
- 5.5252 0.5288 0.0018 C 0 0 0
- -2.1327 -1.7085 0.0000 H 0 0 0
- -0.7548 -1.5136 0.0000 H 0 0 0
- 1.7367 1.7461 0.0000 H 0 0 0
- 0.5210 -2.3074 0.0000 H 0 0 0
- 2.8435 -2.9958 0.0000 H 0 0 0
- 4.6082 -1.3339 0.0000 H 0 0 0
- 4.9991 -0.3739 0.0000 H 0 0 0
- 6.4279 0.0027 0.0000 H 0 0 0
- 6.0513 1.4315 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 1 0
- 11 8 2 0
- 12 10 1 0
- 9 11 1 0
- 2 13 1 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77121-90-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 71 75 1 V2000
- 0.2847 -0.9327 0.1556 C 0 0 0
- -0.2301 -2.0718 0.7216 C 0 0 0
- 1.7555 -0.7589 -0.1239 C 0 0 2
- -0.5661 0.1248 -0.1923 C 0 0 0
- -1.6081 -2.1816 0.9496 C 0 0 0
- 0.6348 -3.2372 1.1284 C 0 0 0
- 2.5789 -1.7627 0.6798 C 0 0 0
- 2.1494 0.5673 0.2342 O 0 0 0
- -1.9387 0.0310 0.0271 C 0 0 0
- -0.0490 1.2494 -0.7467 O 0 0 0
- -2.4677 -1.1387 0.6088 C 0 0 0
- -2.1098 -3.3121 1.5058 O 0 0 0
- 1.9975 -3.1618 0.4437 C 0 0 2
- 3.0916 0.9983 -0.7499 C 0 0 1
- -2.8332 1.1429 -0.3401 C 0 0 0
- -3.9166 -1.2530 0.8481 C 0 0 0
- 1.8368 -3.4020 -1.0353 C 0 0 0
- 2.8708 -4.1470 0.9994 O 0 0 0
- 2.9633 2.5099 -0.9513 C 0 0 0
- 4.4122 0.6791 -0.3157 O 0 0 0
- -4.2837 1.0280 -0.1042 C 0 0 0
- -2.3754 2.1540 -0.8375 O 0 0 0
- -4.8132 -0.1371 0.4809 C 0 0 0
- -4.3740 -2.2635 1.3462 O 0 0 0
- 2.9716 -3.9950 -1.8301 C 0 0 0
- 0.7986 -3.1193 -1.5836 O 0 0 0
- 3.2198 3.2154 0.3851 C 0 0 1
- 4.5760 1.2136 0.9965 C 0 0 2
- -5.1400 2.0776 -0.4511 C 0 0 0
- -6.1829 -0.2355 0.7029 C 0 0 0
- 2.5785 -4.1243 -3.1979 O 0 0 0
- 4.5692 2.7428 0.9380 C 0 0 1
- 3.2598 4.6683 0.1721 N 0 0 0
- 5.9051 0.7315 1.5812 C 0 0 0
- -6.5073 1.9565 -0.2228 C 0 0 0
- -4.6401 3.2087 -1.0072 O 0 0 0
- -7.0190 0.8133 0.3570 C 0 0 0
- 5.6194 3.1913 0.0789 O 0 0 0
- -5.7495 4.0780 -1.2433 C 0 0 0
- 6.4036 4.1170 0.8339 C 0 0 0
- 2.7502 -0.5582 0.0000 H 0 0 0
- -0.2816 -3.6732 0.0000 H 0 0 0
- 0.8855 -4.2205 0.0000 H 0 0 0
- 3.4402 -2.2993 0.0000 H 0 0 0
- 3.2484 -1.0001 0.0000 H 0 0 0
- 0.3749 2.1714 0.0000 H 0 0 0
- -2.5214 -4.2396 0.0000 H 0 0 0
- 3.1888 -0.0118 0.0000 H 0 0 0
- 3.5439 -4.9064 0.0000 H 0 0 0
- 2.2057 3.1850 0.0000 H 0 0 0
- 2.0557 2.0559 0.0000 H 0 0 0
- 3.5234 -4.8466 0.0000 H 0 0 0
- 3.6549 -3.2447 0.0000 H 0 0 0
- 2.2229 3.4052 0.0000 H 0 0 0
- 3.5721 1.3617 0.0000 H 0 0 0
- -6.5902 -1.1650 0.0000 H 0 0 0
- 1.6145 -4.4414 0.0000 H 0 0 0
- 4.5353 3.7570 0.0000 H 0 0 0
- 4.1523 5.1513 0.0000 H 0 0 0
- 2.3953 5.1997 0.0000 H 0 0 0
- 5.5591 -0.2225 0.0000 H 0 0 0
- 6.8591 0.3855 0.0000 H 0 0 0
- 6.2511 1.6855 0.0000 H 0 0 0
- -7.0962 2.7829 0.0000 H 0 0 0
- -8.0257 0.6857 0.0000 H 0 0 0
- -5.1236 4.8768 0.0000 H 0 0 0
- -6.5483 4.7039 0.0000 H 0 0 0
- -6.3754 3.2792 0.0000 H 0 0 0
- 7.1779 3.4611 0.0000 H 0 0 0
- 7.0595 4.8913 0.0000 H 0 0 0
- 5.6293 4.7729 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 2 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 25 31 1 0
- 27 32 1 0
- 27 33 1 0
- 28 34 1 0
- 29 35 2 0
- 29 36 1 0
- 30 37 2 0
- 32 38 1 0
- 36 39 1 0
- 38 40 1 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 32 1 0
- 35 37 1 0
- 3 41 1 0
- 6 42 1 0
- 6 43 1 0
- 7 44 1 0
- 7 45 1 0
- 10 46 1 0
- 12 47 1 0
- 14 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 25 52 1 0
- 25 53 1 0
- 27 54 1 0
- 28 55 1 0
- 30 56 1 0
- 31 57 1 0
- 32 58 1 0
- 33 59 1 0
- 33 60 1 0
- 34 61 1 0
- 34 62 1 0
- 34 63 1 0
- 35 64 1 0
- 37 65 1 0
- 39 66 1 0
- 39 67 1 0
- 39 68 1 0
- 40 69 1 0
- 40 70 1 0
- 40 71 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-138580-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 51 1 V2000
- -0.4369 0.3375 -0.0044 C 0 0 0
- -1.7003 -0.2706 -0.0030 C 0 0 0
- -0.3527 1.7382 -0.0024 C 0 0 0
- 0.7960 -0.4691 -0.0018 C 0 0 0
- -2.8334 0.5725 0.0005 C 0 0 0
- -2.1265 -1.5719 -0.0047 N 0 0 0
- -1.4513 2.4812 0.0012 N 0 0 0
- 0.9852 2.3818 -0.0039 C 0 0 0
- 2.1167 0.2098 -0.0028 C 0 0 0
- 0.7325 -1.6819 0.0016 O 0 0 0
- -4.0075 -0.3151 0.0011 C 0 0 0
- -2.6577 1.9512 0.0026 C 0 0 0
- -3.5105 -1.6280 -0.0023 C 0 0 0
- 2.1932 1.5613 -0.0068 C 0 0 0
- 1.0752 3.5948 -0.0023 O 0 0 0
- 3.2712 -0.5404 -0.0004 N 0 0 0
- -5.3827 -0.0896 0.0044 C 0 0 0
- -3.8648 2.8534 0.0063 C 0 0 0
- -4.4043 -2.6937 -0.0022 C 0 0 0
- 3.9099 -0.9552 -1.2597 C 0 0 0
- 3.9092 -0.9480 1.2616 C 0 0 0
- -6.2519 -1.1592 0.0044 C 0 0 0
- -5.7624 -2.4564 0.0012 C 0 0 0
- 5.4019 -0.6164 -1.1796 C 0 0 0
- 5.4013 -0.6096 1.1803 C 0 0 0
- 5.9881 -1.2547 0.0045 N 0 0 0
- 7.4160 -0.9100 0.0065 C 0 0 0
- -1.4978 -2.4034 0.0000 H 0 0 0
- 3.1278 2.0229 0.0000 H 0 0 0
- -5.7528 0.8849 0.0000 H 0 0 0
- -3.2408 3.6883 0.0000 H 0 0 0
- -4.6997 3.4774 0.0000 H 0 0 0
- -4.4888 2.0185 0.0000 H 0 0 0
- -4.0469 -3.6729 0.0000 H 0 0 0
- 3.1385 -1.6562 0.0000 H 0 0 0
- 4.3917 -1.8796 0.0000 H 0 0 0
- 3.1412 -1.6528 0.0000 H 0 0 0
- 4.3931 -1.8713 0.0000 H 0 0 0
- -7.2808 -0.9923 0.0000 H 0 0 0
- -6.4271 -3.2594 0.0000 H 0 0 0
- 6.2797 -0.0542 0.0000 H 0 0 0
- 4.9994 0.3451 0.0000 H 0 0 0
- 6.2809 -0.0502 0.0000 H 0 0 0
- 5.0005 0.3526 0.0000 H 0 0 0
- 7.6606 -1.9233 0.0000 H 0 0 0
- 8.4293 -0.6654 0.0000 H 0 0 0
- 7.1714 0.1033 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 16 20 1 0
- 16 21 1 0
- 17 22 2 0
- 19 23 2 0
- 20 24 1 0
- 21 25 1 0
- 24 26 1 0
- 26 27 1 0
- 7 12 2 0
- 9 14 2 0
- 11 13 2 0
- 22 23 1 0
- 25 26 1 0
- 6 28 1 0
- 14 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
- 24 42 1 0
- 25 43 1 0
- 25 44 1 0
- 27 45 1 0
- 27 46 1 0
- 27 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6268-09-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.0256 -2.4295 0.0050 O 0 0 0
- -0.2064 -1.2363 0.0050 C 0 0 0
- 0.9053 -0.2687 0.0023 C 0 0 0
- -1.6039 -0.7542 0.0015 C 0 0 0
- 0.6383 1.1133 0.0018 C 0 0 0
- 2.2301 -0.7160 -0.0003 C 0 0 0
- -1.8726 0.6260 0.0010 C 0 0 0
- -2.6594 -1.6615 -0.0018 C 0 0 0
- -0.7582 1.5965 0.0049 C 0 0 0
- 1.6933 2.0195 -0.0012 C 0 0 0
- 2.4999 -2.0447 0.0006 O 0 0 0
- 3.2709 0.2087 -0.0032 C 0 0 0
- -3.1914 1.0718 -0.0028 C 0 0 0
- -3.9645 -1.2014 -0.0055 C 0 0 0
- -0.9897 2.7894 0.0045 O 0 0 0
- 3.0015 1.5618 -0.0037 C 0 0 0
- 4.6995 -0.2710 -0.0055 C 0 0 0
- -4.2288 0.1561 -0.0060 C 0 0 0
- -2.4668 -2.6876 0.0000 H 0 0 0
- 1.4997 3.0454 0.0000 H 0 0 0
- 2.7076 -3.0678 0.0000 H 0 0 0
- -3.3974 2.0953 0.0000 H 0 0 0
- -4.7548 -1.8835 0.0000 H 0 0 0
- 3.7895 2.2466 0.0000 H 0 0 0
- 4.3672 -1.2607 0.0000 H 0 0 0
- 5.6892 -0.6033 0.0000 H 0 0 0
- 5.0318 0.7187 0.0000 H 0 0 0
- -5.2172 0.4921 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 10 2 0
- 17 12 1 0
- 18 13 2 0
- 7 9 1 0
- 12 16 1 0
- 14 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 17 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96563-10-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.7419 -0.6389 0.0200 C 0 0 0
- -0.7420 -0.6388 0.0204 C 0 0 0
- 1.2056 0.6594 -0.1740 C 0 0 0
- 1.6603 -1.6785 0.1803 C 0 0 0
- -1.2056 0.6595 -0.1733 C 0 0 0
- -1.6604 -1.6792 0.1756 C 0 0 0
- 0.0000 1.5573 -0.3077 C 0 0 0
- 2.5595 0.9157 -0.2127 C 0 0 0
- 3.0131 -1.4154 0.1392 C 0 0 0
- -2.5596 0.9159 -0.2119 C 0 0 0
- -3.0132 -1.4158 0.1363 C 0 0 0
- 0.0004 2.5839 0.8267 C 0 0 0
- 3.4662 -0.1208 -0.0581 C 0 0 0
- -3.4662 -0.1207 -0.0575 C 0 0 0
- 4.7928 0.1315 -0.0966 F 0 0 0
- -4.7929 0.1318 -0.0951 F 0 0 0
- 1.3278 -2.6571 0.0000 H 0 0 0
- -1.3278 -2.6578 0.0000 H 0 0 0
- -0.9236 2.0213 0.0000 H 0 0 0
- 2.8969 1.8927 0.0000 H 0 0 0
- 3.6893 -2.1971 0.0000 H 0 0 0
- -2.8970 1.8929 0.0000 H 0 0 0
- -3.6895 -2.1974 0.0000 H 0 0 0
- 1.0340 2.5835 0.0000 H 0 0 0
- 0.0008 3.6175 0.0000 H 0 0 0
- -1.0332 2.5843 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2508-20-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.0879 -0.3906 -0.0007 C 0 0 0
- -1.5682 -0.4184 -0.0005 C 0 0 0
- 0.3512 0.9380 0.0001 C 0 0 0
- 0.8493 -1.4346 0.0036 C 0 0 0
- -2.0594 0.8868 0.0006 C 0 0 0
- -2.4673 -1.4895 -0.0015 C 0 0 0
- -0.8738 1.8202 0.0010 C 0 0 0
- 1.6806 1.2270 0.0001 C 0 0 0
- 2.1824 -1.1610 0.0028 C 0 0 0
- -3.4180 1.1168 0.0006 C 0 0 0
- -3.8248 -1.2478 -0.0015 C 0 0 0
- 2.6274 0.1788 -0.0008 C 0 0 0
- -4.3019 0.0510 -0.0004 C 0 0 0
- 3.9330 0.4530 -0.0009 N 0 0 0
- 4.7458 -0.4542 -0.0017 O 0 0 0
- 0.5219 -2.4280 0.0000 H 0 0 0
- -2.1105 -2.4727 0.0000 H 0 0 0
- -0.1862 2.6083 0.0000 H 0 0 0
- -1.5945 2.5782 0.0000 H 0 0 0
- 2.0007 2.2227 0.0000 H 0 0 0
- 2.8770 -1.9430 0.0000 H 0 0 0
- -3.7819 2.0974 0.0000 H 0 0 0
- -4.4966 -2.0495 0.0000 H 0 0 0
- -5.3327 0.2281 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 14 15 2 0
- 5 7 1 0
- 9 12 2 0
- 11 13 2 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.4464 -0.0135 -0.1235 N 0 0 0
- 0.6235 0.5230 -0.9751 C 0 0 0
- -1.6417 0.7995 -0.3848 C 0 0 0
- -0.7399 -1.3660 -0.6160 C 0 0 0
- 1.7554 1.0580 -0.0956 C 0 0 0
- -2.1338 1.4186 0.9250 C 0 0 0
- -0.5181 -2.3780 0.5098 C 0 0 0
- 2.3835 -0.0295 0.5861 O 0 0 0
- 0.6932 1.4594 0.0000 H 0 0 0
- -0.1567 1.0455 0.0000 H 0 0 0
- -2.5518 0.5684 0.0000 H 0 0 0
- -1.8046 -0.1252 0.0000 H 0 0 0
- -1.5180 -0.8404 0.0000 H 0 0 0
- -1.5169 -1.8932 0.0000 H 0 0 0
- 2.5811 1.5052 0.0000 H 0 0 0
- 1.3310 1.8956 0.0000 H 0 0 0
- -1.3987 2.0029 0.0000 H 0 0 0
- -2.7181 2.1537 0.0000 H 0 0 0
- -2.8689 0.8343 0.0000 H 0 0 0
- -1.4353 -2.5790 0.0000 H 0 0 0
- -0.3171 -3.2952 0.0000 H 0 0 0
- 0.3991 -2.1770 0.0000 H 0 0 0
- 2.8531 -0.8426 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4825-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- -2.9964 -0.0186 -0.2083 C 0 0 0
- -3.1664 0.3843 1.1173 C 0 0 0
- -1.7357 -0.4149 -0.6696 C 0 0 0
- -4.1584 -0.0323 -1.1228 C 0 0 0
- -2.0835 0.3820 1.9783 C 0 0 0
- -4.5132 0.8311 1.6225 C 0 0 0
- -0.6471 -0.4092 0.2132 C 0 0 0
- -1.5696 -0.8008 -1.9566 O 0 0 0
- -5.3101 0.5195 -0.6555 O 0 0 0
- -4.0878 -0.5133 -2.2364 O 0 0 0
- -0.8360 -0.0090 1.5377 C 0 0 0
- -5.6313 0.2680 0.7454 C 0 0 2
- 0.6897 -0.8236 -0.2538 C 0 0 0
- -6.9515 0.9565 1.0975 C 0 0 0
- 1.7573 -0.6943 0.5586 N 0 0 0
- 0.8282 -1.2818 -1.3715 O 0 0 0
- 3.0847 -1.1059 0.0949 C 0 0 1
- 4.1516 -0.2445 0.7735 C 0 0 0
- 3.3118 -2.5542 0.4436 C 0 0 0
- 4.0515 1.1711 0.2666 C 0 0 0
- 4.0992 -3.3158 -0.3321 O 0 0 0
- 2.7852 -3.0300 1.4215 O 0 0 0
- 3.3767 2.1239 1.0062 C 0 0 0
- 4.6396 1.5181 -0.9356 C 0 0 0
- 3.2848 3.4227 0.5411 C 0 0 0
- 4.5478 2.8164 -1.4006 C 0 0 0
- 3.8678 3.7682 -0.6635 C 0 0 0
- -1.9501 1.2474 0.0000 H 0 0 0
- -4.0321 1.5628 0.0000 H 0 0 0
- -5.0958 1.4849 0.0000 H 0 0 0
- -1.2234 -1.6051 0.0000 H 0 0 0
- -0.2607 0.6512 0.0000 H 0 0 0
- -5.6375 -0.6076 0.0000 H 0 0 0
- -6.5466 1.7329 0.0000 H 0 0 0
- -7.7279 1.3614 0.0000 H 0 0 0
- -7.3564 0.1801 0.0000 H 0 0 0
- 1.8361 0.1778 0.0000 H 0 0 0
- 2.9199 -0.2459 0.0000 H 0 0 0
- 4.5531 -1.0227 0.0000 H 0 0 0
- 4.9947 -0.0080 0.0000 H 0 0 0
- 4.7286 -3.9246 0.0000 H 0 0 0
- 2.5522 1.8290 0.0000 H 0 0 0
- 5.4149 1.1110 0.0000 H 0 0 0
- 2.5091 3.8291 0.0000 H 0 0 0
- 5.3717 3.1129 0.0000 H 0 0 0
- 4.0484 4.6250 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 17 15 1 0
- 17 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 2 0
- 20 23 2 0
- 20 24 1 0
- 23 25 1 0
- 24 26 2 0
- 25 27 2 0
- 7 11 1 0
- 9 12 1 0
- 26 27 1 0
- 5 28 1 0
- 6 29 1 0
- 6 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 21 41 1 0
- 23 42 1 0
- 24 43 1 0
- 25 44 1 0
- 26 45 1 0
- 27 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1436-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.3532 0.0624 -0.5687 C 0 0 0
- -2.6234 -0.6178 -0.0541 C 0 0 0
- -2.2355 0.6932 0.3617 O 0 0 0
- -0.1387 -0.4940 0.1770 C 0 0 0
- 1.1315 0.1862 -0.3376 C 0 0 0
- 2.3460 -0.3703 0.4081 C 0 0 0
- 3.6161 0.3099 -0.1065 C 0 0 0
- -0.8391 0.9496 0.0000 H 0 0 0
- -3.6484 -0.5892 0.0000 H 0 0 0
- -2.3878 -1.6157 0.0000 H 0 0 0
- -0.7561 -1.3127 0.0000 H 0 0 0
- 0.5283 -1.2728 0.0000 H 0 0 0
- 1.7489 1.0049 0.0000 H 0 0 0
- 0.4646 0.9651 0.0000 H 0 0 0
- 1.7286 -1.1890 0.0000 H 0 0 0
- 3.0130 -1.1491 0.0000 H 0 0 0
- 4.1002 -0.5940 0.0000 H 0 0 0
- 4.5200 0.7940 0.0000 H 0 0 0
- 3.1320 1.2138 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 2 3 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105579-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 44 1 V2000
- -1.2520 0.6394 -0.0032 C 0 0 0
- -1.2398 -0.7396 -0.0338 C 0 0 0
- -0.0760 1.3982 0.1872 C 0 0 0
- -2.5249 1.4256 -0.1892 C 0 0 1
- 0.0643 -1.4027 0.1642 C 0 0 0
- -2.4267 -1.4664 -0.2656 C 0 0 0
- 1.2214 0.7440 -0.0532 C 0 0 0
- -0.2147 2.7032 0.6445 C 0 0 0
- -3.8698 0.7105 -0.1278 C 0 0 2
- -2.6310 2.7571 0.4977 C 0 0 0
- 1.2357 -0.6432 -0.0411 C 0 0 0
- 0.2091 -2.7052 0.6247 C 0 0 0
- -3.7933 -0.8318 -0.1657 C 0 0 1
- -2.3692 -2.6312 -0.6067 O 0 0 0
- 2.4106 1.4586 -0.2993 C 0 0 0
- -1.4664 3.3248 0.8667 C 0 0 0
- 0.8899 3.4299 0.9402 O 0 0 0
- -4.0894 -0.0489 -1.3203 O 0 0 0
- 2.5222 -1.4053 -0.2179 C 0 0 1
- 1.4552 -3.3678 0.7184 C 0 0 0
- -0.8780 -3.3857 1.0603 O 0 0 0
- 3.7739 0.8510 -0.0679 C 0 0 1
- 2.3586 2.5834 -0.7555 O 0 0 0
- 3.8570 -0.6938 -0.0221 C 0 0 2
- 2.6103 -2.7973 0.3321 C 0 0 0
- 4.1954 0.0724 -1.1835 O 0 0 0
- -1.6356 1.9690 0.0000 H 0 0 0
- -4.6790 1.3673 0.0000 H 0 0 0
- -3.5360 3.2739 0.0000 H 0 0 0
- -4.5567 -1.5413 0.0000 H 0 0 0
- -1.4626 4.3670 0.0000 H 0 0 0
- 1.7606 4.0027 0.0000 H 0 0 0
- 1.6335 -1.9497 0.0000 H 0 0 0
- 1.4396 -4.4099 0.0000 H 0 0 0
- -1.7614 -3.9387 0.0000 H 0 0 0
- 4.4819 1.6157 0.0000 H 0 0 0
- 4.6206 -1.4030 0.0000 H 0 0 0
- 3.5124 -3.3191 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 15 22 1 0
- 15 23 2 0
- 19 24 1 0
- 19 25 1 0
- 22 26 1 0
- 7 11 2 0
- 9 13 1 0
- 10 16 2 0
- 13 18 1 0
- 20 25 2 0
- 22 24 1 0
- 24 26 1 0
- 4 27 1 0
- 9 28 1 0
- 10 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 24 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-99-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.6144 -0.4029 -0.0032 C 0 0 0
- -0.7164 -0.7642 -0.0032 C 0 0 0
- 0.9717 0.9353 -0.0009 C 0 0 0
- 1.6633 -1.4473 0.0004 N 0 3 0
- -1.7047 0.2224 -0.0007 C 0 0 0
- -0.0042 1.9187 0.0016 C 0 0 0
- 2.6492 1.3821 -0.0004 Cl 0 0 0
- 1.3505 -2.6244 0.0033 O 0 0 0
- 2.8391 -1.1295 0.0003 O 0 5 0
- -1.3380 1.5702 0.0017 C 0 0 0
- -3.1316 -0.1577 -0.0001 C 0 0 0
- -4.0828 0.7963 0.0023 O 0 0 0
- -3.4477 -1.3306 -0.0018 O 0 0 0
- -0.9832 -1.7682 0.0000 H 0 0 0
- 0.2697 2.9207 0.0000 H 0 0 0
- -2.0688 2.3084 0.0000 H 0 0 0
- -4.8163 1.5319 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 1 0
- 11 13 2 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 10 16 1 0
- 12 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74-31-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -1.2233 -0.6455 -0.0650 C 0 0 0
- -2.4594 -1.2991 -0.1318 N 0 0 0
- -0.6378 -0.3915 1.1689 C 0 0 0
- -0.5797 -0.2562 -1.2324 C 0 0 0
- -3.6439 -0.5615 -0.0662 C 0 0 0
- 0.5814 0.2525 1.2348 C 0 0 0
- 0.6399 0.3880 -1.1664 C 0 0 0
- -4.8663 -1.2145 0.0292 C 0 0 0
- -3.6017 0.8272 -0.0905 C 0 0 0
- 1.2227 0.6466 0.0673 C 0 0 0
- -6.0354 -0.4821 0.0939 C 0 0 0
- -4.7745 1.5531 -0.0255 C 0 0 0
- 2.4591 1.2998 0.1341 N 0 0 0
- -5.9902 0.8995 0.0637 C 0 0 0
- 3.6433 0.5622 0.0647 C 0 0 0
- 4.8659 1.2154 -0.0328 C 0 0 0
- 3.6019 -0.8259 0.0986 C 0 0 0
- 6.0344 0.4832 -0.1013 C 0 0 0
- 4.7747 -1.5521 0.0296 C 0 0 0
- 5.9891 -0.8989 -0.0730 C 0 0 0
- -2.4959 -2.3334 0.0000 H 0 0 0
- -0.1898 -1.3245 0.0000 H 0 0 0
- -1.0894 0.6445 0.0000 H 0 0 0
- 1.0943 -0.6464 0.0000 H 0 0 0
- 0.1881 1.3191 0.0000 H 0 0 0
- -4.9020 -2.2488 0.0000 H 0 0 0
- -2.6901 1.3171 0.0000 H 0 0 0
- -6.9489 -0.9685 0.0000 H 0 0 0
- -4.7430 2.5876 0.0000 H 0 0 0
- 2.4958 2.3341 0.0000 H 0 0 0
- -6.8697 1.4449 0.0000 H 0 0 0
- 4.9016 2.2497 0.0000 H 0 0 0
- 2.6903 -1.3160 0.0000 H 0 0 0
- 6.9480 0.9695 0.0000 H 0 0 0
- 4.7432 -2.5866 0.0000 H 0 0 0
- 6.8687 -1.4443 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 2 0
- 17 19 1 0
- 18 20 1 0
- 7 10 2 0
- 12 14 1 0
- 19 20 2 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142044-37-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 1.5880 -1.0602 -0.3023 C 0 0 1
- 0.1023 -0.8259 -0.1665 C 0 0 0
- 2.4954 0.1830 -0.3235 C 0 0 2
- 2.2786 -0.5913 0.8577 O 0 0 0
- -0.3858 0.4760 -0.0652 C 0 0 0
- -0.7719 -1.8938 -0.1420 C 0 0 0
- 1.8313 1.5341 -0.2036 C 0 0 0
- 0.5224 1.6363 -0.0884 C 0 0 0
- -1.6982 0.6784 0.0547 N 0 3 0
- -2.1300 -1.6319 -0.0152 C 0 0 0
- -2.5551 -0.3192 0.0813 C 0 0 0
- -2.2000 2.0507 0.1601 C 0 0 0
- 1.8142 -2.0714 0.0000 H 0 0 0
- 3.5272 0.2781 0.0000 H 0 0 0
- -0.4194 -2.8682 0.0000 H 0 0 0
- 2.4129 2.3917 0.0000 H 0 0 0
- 0.1052 2.5848 0.0000 H 0 0 0
- -2.8164 -2.4081 0.0000 H 0 0 0
- -3.5710 -0.1151 0.0000 H 0 0 0
- -1.2268 2.4066 0.0000 H 0 0 0
- -2.5559 3.0239 0.0000 H 0 0 0
- -3.1732 1.6948 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 9 11 2 0
- 9 12 1 0
- 3 4 1 0
- 7 8 2 0
- 10 11 1 0
- 1 13 1 0
- 3 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-462-95-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.0000 -1.0721 0.0002 C 0 0 0
- -1.0236 -0.2469 0.5601 O 0 0 0
- 1.0236 -0.2472 -0.5600 O 0 0 0
- -1.9761 -0.0087 -0.4781 C 0 0 0
- 1.9761 -0.0085 0.4781 C 0 0 0
- -3.1050 0.8738 0.0581 C 0 0 0
- 3.1050 0.8738 -0.0585 C 0 0 0
- -0.6720 -1.7937 0.0000 H 0 0 0
- 0.6719 -1.7938 0.0000 H 0 0 0
- -2.8302 -0.5014 0.0000 H 0 0 0
- -1.8394 -0.9852 0.0000 H 0 0 0
- 1.8397 -0.9851 0.0000 H 0 0 0
- 2.8303 -0.5011 0.0000 H 0 0 0
- -2.4977 1.6506 0.0000 H 0 0 0
- -3.8818 1.4811 0.0000 H 0 0 0
- -3.7123 0.0970 0.0000 H 0 0 0
- 3.7122 0.0969 0.0000 H 0 0 0
- 3.8819 1.4810 0.0000 H 0 0 0
- 2.4978 1.6507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 1 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-615-05-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.9061 0.0875 0.0018 C 0 0 0
- -0.1450 -1.0792 0.0006 C 0 0 0
- -0.2797 1.3225 0.0019 C 0 0 0
- -2.2651 0.0136 -0.0028 O 0 0 0
- 1.2396 -1.0013 -0.0004 C 0 0 0
- -0.7766 -2.3281 0.0010 N 0 0 0
- 1.1006 1.3995 0.0008 C 0 0 0
- -2.7519 1.3571 -0.0002 C 0 0 0
- 1.8631 0.2389 -0.0003 C 0 0 0
- 3.2599 0.3195 -0.0014 N 0 0 0
- -0.8491 2.1943 0.0000 H 0 0 0
- 1.8108 -1.8720 0.0000 H 0 0 0
- -1.8163 -2.3857 0.0000 H 0 0 0
- -0.2068 -3.1997 0.0000 H 0 0 0
- 1.5693 2.3293 0.0000 H 0 0 0
- -1.7729 1.7118 0.0000 H 0 0 0
- -3.1066 2.3361 0.0000 H 0 0 0
- -3.7309 1.0024 0.0000 H 0 0 0
- 3.8316 -0.5508 0.0000 H 0 0 0
- 3.7277 1.2498 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-868-77-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -0.8145 -0.4480 -0.0024 C 0 0 0
- -1.9575 0.4755 -0.0038 C 0 0 0
- 0.4317 0.0217 -0.2109 O 0 0 0
- -0.9921 -1.6345 0.1916 O 0 0 0
- -1.7366 1.9477 -0.2382 C 0 0 0
- -3.1879 0.0118 0.2021 C 0 0 0
- 1.5612 -0.8908 -0.2096 C 0 0 0
- 2.8499 -0.1075 -0.4675 C 0 0 0
- 3.0264 0.8705 0.5593 O 0 0 0
- -0.7042 1.7928 0.0000 H 0 0 0
- -1.5817 2.9801 0.0000 H 0 0 0
- -2.7690 2.1026 0.0000 H 0 0 0
- -3.9952 0.6737 0.0000 H 0 0 0
- -3.3575 -1.0183 0.0000 H 0 0 0
- 0.8163 -1.6222 0.0000 H 0 0 0
- 2.2022 -1.7147 0.0000 H 0 0 0
- 3.1630 -1.1034 0.0000 H 0 0 0
- 3.8918 -0.0418 0.0000 H 0 0 0
- 3.2118 1.8978 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-491-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.0817 -1.7365 0.2678 O 0 0 0
- 0.5162 -0.6000 0.1886 C 0 0 0
- 1.9583 -0.3257 0.0782 C 0 0 0
- -0.3749 0.5760 0.1918 C 0 0 0
- 2.3951 1.0004 0.2520 C 0 0 0
- 2.8794 -1.3449 -0.1931 C 0 0 0
- 0.1805 1.8055 0.3565 C 0 0 0
- -1.8398 0.4204 0.0192 C 0 0 0
- 1.4998 1.9722 0.5244 O 0 0 0
- 3.7469 1.2891 0.1431 C 0 0 0
- 2.4568 -2.6245 -0.3532 O 0 0 0
- 4.2231 -1.0362 -0.2961 C 0 0 0
- -2.4855 1.0329 -1.0534 C 0 0 0
- -2.5728 -0.3435 0.9261 C 0 0 0
- 4.6529 0.2762 -0.1295 C 0 0 0
- -3.8480 0.8859 -1.2115 C 0 0 0
- -3.9347 -0.4866 0.7626 C 0 0 0
- 5.9743 0.5683 -0.2356 O 0 0 0
- -4.5758 0.1290 -0.3038 C 0 0 0
- -5.9181 -0.0136 -0.4621 O 0 0 0
- -6.3758 -0.8351 0.6139 C 0 0 0
- -0.4225 2.6220 0.0000 H 0 0 0
- 4.0617 2.2540 0.0000 H 0 0 0
- 2.1385 -3.5883 0.0000 H 0 0 0
- 4.9075 -1.7857 0.0000 H 0 0 0
- -2.1607 1.9945 0.0000 H 0 0 0
- -2.1264 -1.2550 0.0000 H 0 0 0
- -4.2952 1.7971 0.0000 H 0 0 0
- -4.2638 -1.4467 0.0000 H 0 0 0
- 6.9653 0.7874 0.0000 H 0 0 0
- -7.2624 -0.3411 0.0000 H 0 0 0
- -6.8698 -1.7217 0.0000 H 0 0 0
- -5.4892 -1.3291 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 8 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 15 1 0
- 19 16 2 0
- 20 19 1 0
- 21 20 1 0
- 7 9 1 0
- 12 15 1 0
- 17 19 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82389-38-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 2.5144 -0.7898 0.6693 C 0 0 2
- 1.7376 -1.2062 -0.5814 C 0 0 1
- 3.4878 0.3046 0.3148 C 0 0 0
- 2.8331 -1.9692 -0.0719 O 0 0 0
- 0.4404 -1.8559 -0.1739 C 0 0 0
- 3.0992 1.6289 0.3971 C 0 0 0
- 4.7709 -0.0153 -0.0872 C 0 0 0
- -0.7663 -1.0381 0.0039 C 0 0 0
- 0.3929 -3.0543 0.0073 O 0 0 0
- 3.9920 2.6326 0.0720 C 0 0 0
- 5.6640 0.9887 -0.4124 C 0 0 0
- -1.9730 -1.6397 0.3825 C 0 0 0
- -0.7125 0.3467 -0.1992 C 0 0 0
- 5.2737 2.3124 -0.3356 C 0 0 0
- -3.0940 -0.8777 0.5478 C 0 0 0
- -1.8473 1.1067 -0.0303 C 0 0 0
- -3.0431 0.4982 0.3412 C 0 0 0
- -4.1909 1.2690 0.5118 N 0 0 0
- -5.3121 0.9691 -0.1734 C 0 0 0
- -6.5905 1.7149 0.1099 C 0 0 0
- -5.2921 0.0989 -1.0179 O 0 0 0
- 1.8880 0.0041 0.0000 H 0 0 0
- 1.2722 -0.3084 0.0000 H 0 0 0
- 2.1125 1.8504 0.0000 H 0 0 0
- 5.0695 -0.9815 0.0000 H 0 0 0
- 3.6936 3.5988 0.0000 H 0 0 0
- 6.6509 0.7679 0.0000 H 0 0 0
- -2.0410 -2.6487 0.0000 H 0 0 0
- 0.1887 0.8055 0.0000 H 0 0 0
- 5.9736 3.0423 0.0000 H 0 0 0
- -3.9963 -1.3342 0.0000 H 0 0 0
- -1.7870 2.1162 0.0000 H 0 0 0
- -4.0248 2.2665 0.0000 H 0 0 0
- -6.0809 2.5884 0.0000 H 0 0 0
- -7.4640 2.2245 0.0000 H 0 0 0
- -7.1001 0.8414 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 2 4 1 0
- 11 14 2 0
- 16 17 2 0
- 1 22 1 0
- 2 23 1 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-03-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -1.9606 -0.5966 0.7460 C 0 0 2
- -2.9213 0.1920 -0.1185 C 0 0 0
- -0.9226 0.3579 1.1132 O 0 0 0
- -1.3442 -1.7285 -0.0784 C 0 0 2
- -2.4124 1.4506 -0.1867 C 0 0 0
- -4.0474 -0.2602 -0.6999 O 0 0 0
- -1.2321 1.5319 0.5459 C 0 0 0
- -0.3733 -2.5254 0.7953 C 0 0 0
- -0.6395 -1.1770 -1.1925 O 0 0 0
- -2.9765 2.4837 -0.8737 O 0 0 0
- -0.4948 2.6481 0.6691 O 0 0 0
- 0.2024 -3.5826 0.0253 O 0 0 0
- 11.5304 0.5484 -0.2230 Na 0 3 0
- -2.6706 -1.1839 0.0000 H 0 0 0
- -2.0542 -2.3158 0.0000 H 0 0 0
- 0.5432 -2.4304 0.0000 H 0 0 0
- -0.1081 -1.6430 0.0000 H 0 0 0
- 0.0861 -0.6091 0.0000 H 0 0 0
- -3.4181 3.2924 0.0000 H 0 0 0
- 0.6430 -4.3918 0.0000 H 0 0 0
- -4.9024 -0.6035 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 2 0
- 8 12 1 0
- 5 7 1 0
- 1 14 1 0
- 4 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 6 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.1507 -0.1275 0.0039 C 0 0 0
- 0.6581 -1.2654 0.0037 C 0 0 0
- 0.4370 1.1392 0.0017 C 0 0 0
- -1.6218 -0.2629 0.0004 C 0 0 0
- 2.0313 -1.1317 0.0012 C 0 0 0
- 1.8111 1.2584 -0.0008 C 0 0 0
- -2.3994 0.8371 0.0007 O 0 0 0
- -2.1302 -1.3661 -0.0026 O 0 0 0
- 2.6070 0.1263 -0.0010 C 0 0 0
- -3.8453 0.7040 -0.0028 C 0 0 0
- 4.1076 0.2644 -0.0037 C 0 0 0
- 0.2274 -2.2097 0.0000 H 0 0 0
- -0.1588 1.9890 0.0000 H 0 0 0
- 2.6338 -1.9768 0.0000 H 0 0 0
- 2.2492 2.1993 0.0000 H 0 0 0
- -3.9404 1.7375 0.0000 H 0 0 0
- -4.8788 0.6089 0.0000 H 0 0 0
- -3.7502 -0.3295 0.0000 H 0 0 0
- 4.2027 -0.7691 0.0000 H 0 0 0
- 5.1411 0.3595 0.0000 H 0 0 0
- 4.0125 1.2979 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-70-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.6752 -1.2074 -0.0033 C 0 0 0
- -0.7078 -1.1886 -0.0022 C 0 0 0
- 1.3833 -0.0187 -0.0024 C 0 0 0
- 1.5227 -2.7225 0.0015 Cl 0 0 0
- -1.3833 0.0189 -0.0002 C 0 0 0
- 0.7080 1.1885 -0.0004 C 0 0 0
- -0.6754 1.2073 0.0007 C 0 0 0
- -3.1191 0.0426 0.0006 Cl 0 0 0
- 1.5964 2.6799 0.0006 Cl 0 0 0
- -1.2388 -2.0802 0.0000 H 0 0 0
- 2.4209 -0.0328 0.0000 H 0 0 0
- -1.1820 2.1130 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 2 10 1 0
- 3 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146177-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 2.1835 -0.5571 0.0437 C 0 0 0
- 0.7237 -0.5139 0.0402 C 0 0 0
- 2.8920 0.6439 -0.0502 C 0 0 0
- 3.0902 -1.5583 0.1166 N 0 0 0
- 0.0805 0.7458 -0.0584 C 0 0 0
- -0.0035 -1.6281 0.1277 N 0 0 0
- 4.2328 0.3011 -0.0233 N 0 0 0
- 2.2120 1.8605 -0.1461 C 0 0 0
- 4.3015 -1.0568 0.0805 C 0 0 0
- -1.2543 0.8044 -0.0630 N 0 0 0
- 0.8562 1.9177 -0.1495 C 0 0 0
- -1.3152 -1.5554 0.1224 C 0 0 0
- 5.3673 1.2252 -0.0954 C 0 0 0
- 5.4678 -1.7918 0.1345 N 0 0 0
- -1.9595 -0.3112 0.0242 C 0 0 0
- 0.1702 3.2554 -0.2541 C 0 0 0
- -3.4410 -0.2478 0.0196 C 0 0 0
- -4.1798 -1.2013 -0.6786 C 0 0 0
- -4.1003 0.7625 0.7184 C 0 0 0
- -5.5586 -1.1372 -0.6794 C 0 0 0
- -5.4790 0.8165 0.7106 C 0 0 0
- -6.2071 -0.1294 0.0110 C 0 0 0
- 2.7539 2.7411 0.0000 H 0 0 0
- -1.8768 -2.4235 0.0000 H 0 0 0
- 6.0203 0.4236 0.0000 H 0 0 0
- 6.1689 1.8782 0.0000 H 0 0 0
- 4.7143 2.0268 0.0000 H 0 0 0
- 5.4278 -2.8250 0.0000 H 0 0 0
- 6.3826 -1.3099 0.0000 H 0 0 0
- 1.0902 3.7272 0.0000 H 0 0 0
- -0.3016 4.1754 0.0000 H 0 0 0
- -0.7498 2.7836 0.0000 H 0 0 0
- -3.7464 -2.1400 0.0000 H 0 0 0
- -3.5903 1.6619 0.0000 H 0 0 0
- -6.0748 -2.0331 0.0000 H 0 0 0
- -5.9173 1.7529 0.0000 H 0 0 0
- -7.2401 -0.0859 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 7 9 1 0
- 8 11 2 0
- 12 15 1 0
- 21 22 1 0
- 8 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-13-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.0000 0.0102 -0.0014 C 0 0 0
- -1.1672 0.6841 0.0004 N 0 0 0
- 1.1672 0.6841 0.0004 N 0 0 0
- 0.0000 -1.2057 0.0004 O 0 0 0
- -1.1672 1.6949 0.0000 H 0 0 0
- -2.0426 0.1787 0.0000 H 0 0 0
- 2.0426 0.1787 0.0000 H 0 0 0
- 1.1672 1.6949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-29916-56-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.1287 0.0065 0.0749 C 0 0 0
- -1.3485 0.0030 -0.0034 N 0 3 0
- 1.0256 1.2267 0.0568 C 0 0 0
- 1.0263 -1.2124 0.1951 C 0 0 0
- -2.0562 -1.2232 0.0251 O 0 5 0
- -2.0549 1.2259 -0.1070 O 0 5 0
- 2.4781 0.7156 0.1529 C 0 0 0
- 2.3914 -0.7435 -0.3666 C 0 0 0
- 1.4919 2.2253 0.0000 H 0 0 0
- 0.0777 1.7889 0.0000 H 0 0 0
- 0.0773 -1.7728 0.0000 H 0 0 0
- 1.4879 -2.2132 0.0000 H 0 0 0
- 3.5674 0.5483 0.0000 H 0 0 0
- 2.7458 1.7847 0.0000 H 0 0 0
- 2.6112 -1.8234 0.0000 H 0 0 0
- 3.4907 -0.6656 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 7 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.7762 -0.2577 0.0000 C 0 0 0
- -2.0994 0.5104 0.0000 C 0 0 0
- 0.3891 0.7339 0.0000 C 0 0 0
- -3.2646 -0.4812 0.0000 C 0 0 0
- 1.9484 -0.1712 0.0000 Cl 0 0 0
- -1.4608 -1.1787 0.0000 H 0 0 0
- 0.0615 -1.0420 0.0000 H 0 0 0
- -1.4148 1.4314 0.0000 H 0 0 0
- -2.9371 1.2947 0.0000 H 0 0 0
- 1.0737 1.6549 0.0000 H 0 0 0
- -0.4486 1.5182 0.0000 H 0 0 0
- -4.0083 0.3927 0.0000 H 0 0 0
- -4.1385 -1.2249 0.0000 H 0 0 0
- -2.5209 -1.3551 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109143-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.6045 -0.0486 0.0340 C 0 0 0
- -1.6331 -0.2976 0.9542 C 0 0 0
- 0.7331 -0.0855 0.4471 C 0 0 0
- -1.2753 0.2159 -1.2441 C 0 0 0
- -1.3098 -0.5812 2.2802 C 0 0 0
- -2.8012 -0.1960 0.2871 O 0 0 0
- 1.7598 0.1630 -0.4692 N 0 0 0
- 1.0321 -0.3689 1.7677 C 0 0 0
- -2.5896 0.1106 -1.0051 C 0 0 0
- 0.0135 -0.6146 2.6771 C 0 0 0
- -2.2974 -0.8248 3.1840 O 0 0 0
- 2.4969 1.3317 0.0294 C 0 0 0
- 2.6793 -0.9801 -0.3931 C 0 0 0
- -3.6535 0.2999 -2.0172 N 0 3 0
- -1.6577 -1.0787 4.4364 C 0 0 0
- 1.8396 2.6105 -0.4936 C 0 0 0
- 2.2131 -2.0746 -1.3551 C 0 0 0
- -4.8236 0.1825 -1.7001 O 0 0 0
- -3.3587 0.5730 -3.1670 O 0 5 0
- 2.7444 4.0449 0.1184 Cl 0 0 0
- 3.3417 -3.4776 -1.2617 Cl 0 0 0
- -1.1509 1.0516 0.0000 H 0 0 0
- 1.8484 -0.5869 0.0000 H 0 0 0
- 0.1027 -1.4548 0.0000 H 0 0 0
- 3.1206 0.7617 0.0000 H 0 0 0
- 3.1682 1.8448 0.0000 H 0 0 0
- 3.3923 -1.4334 0.0000 H 0 0 0
- 3.2426 -0.3504 0.0000 H 0 0 0
- -1.9694 -1.8640 0.0000 H 0 0 0
- -0.8724 -1.3904 0.0000 H 0 0 0
- -1.3460 -0.2934 0.0000 H 0 0 0
- 1.2159 3.1805 0.0000 H 0 0 0
- 1.1683 2.0975 0.0000 H 0 0 0
- 1.5001 -1.6213 0.0000 H 0 0 0
- 1.6498 -2.7043 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 16 20 1 0
- 17 21 1 0
- 6 9 1 0
- 8 10 1 0
- 4 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-95-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.1018 0.0001 0.0033 C 0 0 0
- 0.5895 -1.1972 0.0029 C 0 0 0
- 0.5892 1.1971 0.0010 C 0 0 0
- -1.5820 0.0000 0.0001 N 0 3 0
- 1.9717 -1.1972 0.0002 C 0 0 0
- 1.9718 1.1971 -0.0018 C 0 0 0
- -2.1910 1.0548 0.0004 O 0 0 0
- -2.1909 -1.0548 -0.0030 O 0 5 0
- 2.6629 0.0002 -0.0022 C 0 0 0
- 0.0712 -2.0950 0.0000 H 0 0 0
- 0.0709 2.0949 0.0000 H 0 0 0
- 2.4901 -2.0949 0.0000 H 0 0 0
- 2.4901 2.0949 0.0000 H 0 0 0
- 3.6995 0.0003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125239-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -1.2386 0.5710 -0.0048 C 0 0 0
- -1.0388 -0.8835 -0.0027 C 0 0 0
- -0.1911 1.3899 -0.0048 N 0 0 0
- -2.5549 1.0778 -0.0009 C 0 0 0
- 0.1912 -1.3898 -0.0004 N 0 0 0
- -2.1689 -1.7256 -0.0028 C 0 0 0
- 1.0387 0.8837 -0.0029 C 0 0 0
- -3.6082 0.2167 0.0047 C 0 0 0
- 1.2386 -0.5710 0.0001 C 0 0 0
- -3.4174 -1.1785 -0.0048 C 0 0 0
- 2.1690 1.7257 -0.0033 C 0 0 0
- -4.8724 0.7140 0.0089 O 0 0 0
- 2.5549 -1.0779 0.0021 C 0 0 0
- -4.5302 -2.0190 -0.0054 N 0 0 0
- 3.4174 1.1785 -0.0016 C 0 0 0
- -4.7560 2.1382 0.0061 C 0 0 0
- 3.6082 -0.2168 0.0020 C 0 0 0
- 4.5302 2.0188 -0.0025 N 0 0 0
- 4.8723 -0.7140 0.0044 O 0 0 0
- 4.7559 -2.1383 0.0065 C 0 0 0
- -2.7204 2.1105 0.0000 H 0 0 0
- -2.0502 -2.7647 0.0000 H 0 0 0
- 2.0505 2.7648 0.0000 H 0 0 0
- 2.7204 -2.1106 0.0000 H 0 0 0
- -5.4934 -1.6114 0.0000 H 0 0 0
- -4.4016 -3.0569 0.0000 H 0 0 0
- -3.7136 2.0530 0.0000 H 0 0 0
- -4.6708 3.1806 0.0000 H 0 0 0
- -5.7984 2.2234 0.0000 H 0 0 0
- 5.4933 1.6111 0.0000 H 0 0 0
- 4.4017 3.0567 0.0000 H 0 0 0
- 3.7135 -2.0531 0.0000 H 0 0 0
- 4.6707 -3.1807 0.0000 H 0 0 0
- 5.7983 -2.2235 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 15 18 1 0
- 17 19 1 0
- 19 20 1 0
- 7 9 1 0
- 8 10 1 0
- 15 17 1 0
- 4 21 1 0
- 6 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 18 30 1 0
- 18 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-156215-58-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.8720 0.5332 0.0041 C 0 0 0
- -0.7390 -0.8773 0.0028 C 0 0 0
- 0.2381 1.3275 0.0032 C 0 0 0
- -2.2357 0.7918 0.0006 N 0 0 0
- 0.4587 -1.4447 0.0011 N 0 0 0
- -1.9904 -1.3880 0.0036 N 0 0 0
- 1.5006 0.7045 0.0010 C 0 0 0
- -2.8712 -0.4165 -0.0027 C 0 0 0
- -2.8724 2.1113 0.0004 C 0 0 0
- 1.5747 -0.7120 0.0006 C 0 0 0
- 2.6833 1.4615 -0.0012 C 0 0 0
- -4.2350 -0.5895 -0.0067 N 0 0 0
- 2.8397 -1.3285 -0.0009 C 0 0 0
- 3.8887 0.8280 -0.0045 C 0 0 0
- 3.9648 -0.5633 -0.0011 C 0 0 0
- 0.1543 2.3551 0.0000 H 0 0 0
- -1.9438 2.5594 0.0000 H 0 0 0
- -3.3205 3.0399 0.0000 H 0 0 0
- -3.8010 1.6632 0.0000 H 0 0 0
- 2.6392 2.4916 0.0000 H 0 0 0
- -4.8588 0.2314 0.0000 H 0 0 0
- -4.6341 -1.5402 0.0000 H 0 0 0
- 2.9138 -2.3569 0.0000 H 0 0 0
- 4.7563 1.3851 0.0000 H 0 0 0
- 4.8889 -1.0205 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 2 0
- 8 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 6 8 2 0
- 7 10 1 0
- 14 15 2 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-67-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.0334 0.9740 -0.0019 C 0 0 0
- -0.8244 -0.1680 -0.0013 C 0 0 0
- 1.3449 0.8328 -0.0010 N 0 0 0
- -0.8565 2.0257 0.0020 N 0 0 0
- -0.2026 -1.4353 0.0001 C 0 0 0
- -2.1339 0.2691 -0.0020 N 0 0 0
- 1.8979 -0.3947 0.0004 C 0 0 0
- 2.2018 2.0210 -0.0021 C 0 0 0
- -2.0994 1.6159 0.0050 C 0 0 0
- 1.1447 -1.5080 0.0009 N 0 0 0
- -0.8745 -2.4511 0.0011 O 0 0 0
- -3.3334 -0.5720 -0.0024 C 0 0 0
- 3.1095 -0.4989 0.0007 O 0 0 0
- 3.0220 1.4295 0.0000 H 0 0 0
- 2.7933 2.8412 0.0000 H 0 0 0
- 1.3816 2.6125 0.0000 H 0 0 0
- -2.9111 2.2189 0.0000 H 0 0 0
- 1.5946 -2.4136 0.0000 H 0 0 0
- -3.9139 0.2559 0.0000 H 0 0 0
- -4.1613 -1.1525 0.0000 H 0 0 0
- -2.7529 -1.3999 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 6 9 1 0
- 7 10 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59703-84-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 66 1 V2000
- -3.9634 2.3565 -0.8252 C 0 0 1
- -4.6887 2.3760 0.4531 N 0 0 0
- -2.6267 2.3297 -0.0947 C 0 0 1
- -4.3226 0.6897 -1.5049 S 0 0 0
- -5.4751 1.1956 0.7830 C 0 0 2
- -3.5127 2.5600 1.1003 C 0 0 0
- -2.1138 0.9577 -0.0651 N 0 0 0
- -5.7508 0.2684 -0.4198 C 0 0 0
- -6.7828 1.6197 1.4004 C 0 0 0
- -3.2585 2.8227 2.2568 O 0 0 0
- -0.7846 0.7354 -0.0495 C 0 0 0
- -7.0794 0.6167 -1.0938 C 0 0 0
- -5.7147 -1.2037 -0.0044 C 0 0 0
- -7.1949 2.7600 1.2374 O 0 0 0
- -7.4323 0.8236 2.0648 O 0 0 0
- -0.2570 -0.6759 -0.0190 C 0 0 1
- -0.0130 1.6711 -0.0599 O 0 0 0
- -0.7357 -1.4176 -1.2404 C 0 0 0
- 1.2077 -0.6495 -0.0068 N 0 0 0
- -1.5113 -2.5529 -1.0996 C 0 0 0
- -0.4040 -0.9591 -2.5018 C 0 0 0
- 1.8945 -1.6371 0.6010 C 0 0 0
- -1.9505 -3.2334 -2.2201 C 0 0 0
- -0.8431 -1.6393 -3.6220 C 0 0 0
- 3.2420 -1.6129 0.6123 N 0 0 0
- 1.2986 -2.5497 1.1389 O 0 0 0
- -1.6140 -2.7783 -3.4811 C 0 0 0
- 3.9302 -2.6018 1.2209 C 0 0 0
- 3.9598 -0.5177 -0.0403 C 0 0 0
- 5.4262 -2.5331 1.2385 C 0 0 0
- 3.3479 -3.5285 1.7441 O 0 0 0
- 5.2120 -0.1536 0.7528 C 0 0 0
- 6.0244 -1.3465 1.0015 N 0 0 0
- 6.0881 -3.5254 1.4620 O 0 0 0
- 7.4863 -1.2527 0.9870 C 0 0 0
- 7.9995 -1.5045 -0.4322 C 0 0 0
- 15.6183 7.0482 -1.2353 Na 0 3 0
- -3.9405 3.3343 0.0000 H 0 0 0
- -1.9718 3.0561 0.0000 H 0 0 0
- -4.5895 0.7805 0.0000 H 0 0 0
- -2.7359 0.2030 0.0000 H 0 0 0
- -6.8314 1.5628 0.0000 H 0 0 0
- -8.0255 0.8647 0.0000 H 0 0 0
- -7.3274 -0.3294 0.0000 H 0 0 0
- -6.6925 -1.2277 0.0000 H 0 0 0
- -5.6907 -2.1815 0.0000 H 0 0 0
- -4.7369 -1.1797 0.0000 H 0 0 0
- -1.2294 -0.5708 0.0000 H 0 0 0
- 1.6529 0.2214 0.0000 H 0 0 0
- -2.3260 -2.0118 0.0000 H 0 0 0
- 0.1481 -0.1518 0.0000 H 0 0 0
- -2.5067 -4.0379 0.0000 H 0 0 0
- -0.0272 -2.1787 0.0000 H 0 0 0
- -0.8156 -3.3433 0.0000 H 0 0 0
- 3.9644 0.4603 0.0000 H 0 0 0
- 3.0233 -0.2357 0.0000 H 0 0 0
- 6.0736 0.3092 0.0000 H 0 0 0
- 4.8420 0.7518 0.0000 H 0 0 0
- 8.1922 -0.5757 0.0000 H 0 0 0
- 7.0926 -0.3574 0.0000 H 0 0 0
- 7.5687 -2.3826 0.0000 H 0 0 0
- 8.8776 -1.9353 0.0000 H 0 0 0
- 8.4303 -0.6264 0.0000 H 0 0 0
- -8.0506 0.0658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 1 0
- 9 14 2 0
- 9 15 1 0
- 11 16 1 0
- 11 17 2 0
- 16 18 1 0
- 16 19 1 0
- 18 20 2 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 2 0
- 22 25 1 0
- 22 26 2 0
- 23 27 2 0
- 25 28 1 0
- 25 29 1 0
- 28 30 1 0
- 28 31 2 0
- 29 32 1 0
- 30 33 1 0
- 30 34 2 0
- 33 35 1 0
- 35 36 1 0
- 3 6 1 0
- 5 8 1 0
- 24 27 1 0
- 32 33 1 0
- 1 38 1 0
- 3 39 1 0
- 5 40 1 0
- 7 41 1 0
- 12 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 13 47 1 0
- 16 48 1 0
- 19 49 1 0
- 20 50 1 0
- 21 51 1 0
- 23 52 1 0
- 24 53 1 0
- 27 54 1 0
- 29 55 1 0
- 29 56 1 0
- 32 57 1 0
- 32 58 1 0
- 35 59 1 0
- 35 60 1 0
- 36 61 1 0
- 36 62 1 0
- 36 63 1 0
- 15 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-89-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.0163 0.0001 0.0020 C 0 0 0
- -0.3064 -1.1912 0.0014 C 0 0 0
- -0.3068 1.1910 0.0011 C 0 0 0
- -2.5233 -0.0001 -0.0024 C 0 0 0
- 1.0749 -1.1518 -0.0002 C 0 0 0
- 1.0749 1.1518 -0.0005 C 0 0 0
- 1.7170 0.0001 -0.0011 N 0 0 0
- -0.8056 -2.0998 0.0000 H 0 0 0
- -0.8061 2.0995 0.0000 H 0 0 0
- -2.5234 1.0366 0.0000 H 0 0 0
- -3.5600 -0.0002 0.0000 H 0 0 0
- -2.5232 -1.0368 0.0000 H 0 0 0
- 1.6127 -2.0381 0.0000 H 0 0 0
- 1.6126 2.0382 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93780-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 45 1 V2000
- -1.7702 0.0143 -0.2560 C 0 0 0
- -1.8932 -1.4680 -0.4548 C 0 0 2
- -0.4872 0.5869 -0.1200 C 0 0 0
- -2.8666 0.8154 -0.2100 C 0 0 0
- -3.2297 -2.0815 -0.0844 C 0 0 1
- -2.0871 -2.1813 0.7681 O 0 0 0
- -0.3777 2.0354 0.0637 C 0 0 0
- 0.6104 -0.1641 -0.1567 N 0 0 0
- -4.2386 0.2021 -0.3442 C 0 0 2
- -2.7562 2.1971 -0.0377 C 0 0 0
- -4.2811 -1.1146 0.4342 C 0 0 2
- 0.8914 2.6082 0.1987 C 0 0 0
- -1.5517 2.8098 0.0989 C 0 0 0
- 1.8174 0.3653 -0.0315 C 0 0 0
- -4.5176 -0.0437 -1.7239 O 0 0 0
- -4.0527 -0.8619 1.8220 O 0 0 0
- 1.9995 1.7608 0.1498 C 0 0 0
- 3.0056 -0.5016 -0.0801 C 0 0 0
- 3.3460 2.3114 0.2855 C 0 0 0
- 4.2875 0.0704 0.0536 C 0 0 0
- 2.8782 -1.8810 -0.2573 C 0 0 0
- 4.4293 1.5117 0.2395 C 0 0 0
- 5.4172 -0.7572 0.0054 C 0 0 0
- 4.0064 -2.6682 -0.3006 C 0 0 0
- 5.2683 -2.1026 -0.1689 C 0 0 0
- -0.8670 -1.6485 0.0000 H 0 0 0
- -3.6501 -3.0348 0.0000 H 0 0 0
- -4.8020 1.0786 0.0000 H 0 0 0
- -3.6220 2.7768 0.0000 H 0 0 0
- -5.2418 -1.5179 0.0000 H 0 0 0
- 1.0104 3.6433 0.0000 H 0 0 0
- -1.4931 3.8501 0.0000 H 0 0 0
- -5.2994 -0.7325 0.0000 H 0 0 0
- -3.3540 -0.0889 0.0000 H 0 0 0
- 3.4747 3.3453 0.0000 H 0 0 0
- 1.9332 -2.3198 0.0000 H 0 0 0
- 5.3813 1.9350 0.0000 H 0 0 0
- 6.3710 -0.3379 0.0000 H 0 0 0
- 3.9087 -3.7055 0.0000 H 0 0 0
- 6.1103 -2.7163 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 18 21 1 0
- 19 22 2 0
- 20 23 1 0
- 21 24 2 0
- 23 25 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 2 0
- 20 22 1 0
- 24 25 1 0
- 2 26 1 0
- 5 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 19 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
- 25 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-830-96-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.2518 -0.1230 0.2021 C 0 0 0
- 0.1171 0.7918 0.3489 C 0 0 0
- 2.3501 0.6757 -0.1647 C 0 0 0
- 1.4103 -1.5030 0.3435 C 0 0 0
- 0.5702 2.0258 0.0769 C 0 0 0
- -1.2918 0.4184 0.7318 C 0 0 0
- 1.9023 1.9760 -0.2321 N 0 0 0
- 3.5874 0.0765 -0.3783 C 0 0 0
- 2.6347 -2.0705 0.1303 C 0 0 0
- -2.0978 0.1069 -0.5308 C 0 0 0
- 3.7225 -1.2861 -0.2289 C 0 0 0
- -3.5067 -0.2665 -0.1480 C 0 0 0
- -4.3995 -0.5820 -1.0993 O 0 0 0
- -3.8326 -0.2820 1.0154 O 0 0 0
- 0.5847 -2.0994 0.0000 H 0 0 0
- 0.0029 2.8717 0.0000 H 0 0 0
- -1.0616 1.4106 0.0000 H 0 0 0
- -2.0609 1.0861 0.0000 H 0 0 0
- 2.5091 2.7940 0.0000 H 0 0 0
- 4.4226 0.6594 0.0000 H 0 0 0
- 2.7317 -3.0844 0.0000 H 0 0 0
- -2.3280 -0.8853 0.0000 H 0 0 0
- -1.3287 -0.5608 0.0000 H 0 0 0
- 4.6510 -1.7048 0.0000 H 0 0 0
- -5.3598 -0.9214 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 1 0
- 8 11 2 0
- 10 12 1 0
- 12 13 1 0
- 12 14 2 0
- 5 7 1 0
- 9 11 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-578-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.0610 0.4285 -0.0029 C 0 0 0
- -0.8497 -1.0224 -0.0009 C 0 0 0
- 0.0373 1.2864 -0.0029 C 0 0 0
- -2.3860 0.9300 0.0011 C 0 0 0
- 0.3794 -1.5291 0.0005 N 0 0 0
- -1.9787 -1.8671 -0.0010 C 0 0 0
- 1.3135 0.7140 -0.0010 C 0 0 0
- -3.4398 0.0437 0.0067 C 0 0 0
- -2.6195 2.3004 -0.0002 N 0 0 0
- 1.4526 -0.7449 0.0002 C 0 0 0
- -3.2279 -1.3316 -0.0029 C 0 0 0
- 2.4743 1.5125 -0.0003 C 0 0 0
- 2.7520 -1.2952 0.0013 C 0 0 0
- 3.6957 0.9172 0.0020 C 0 0 0
- 3.8310 -0.4707 0.0004 C 0 0 0
- -0.0886 2.3240 0.0000 H 0 0 0
- -1.8549 -2.9050 0.0000 H 0 0 0
- -4.4183 0.4112 0.0000 H 0 0 0
- -1.8149 2.9676 0.0000 H 0 0 0
- -3.5996 2.6635 0.0000 H 0 0 0
- -4.0540 -1.9719 0.0000 H 0 0 0
- 2.3965 2.5548 0.0000 H 0 0 0
- 2.8833 -2.3322 0.0000 H 0 0 0
- 4.5541 1.5136 0.0000 H 0 0 0
- 4.7894 -0.8879 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 10 2 0
- 8 11 1 0
- 14 15 1 0
- 3 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42200-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 50 1 V2000
- -2.3713 0.2853 0.1303 C 0 0 0
- -3.3491 1.2490 0.2181 C 0 0 0
- -1.0303 0.6647 0.0967 C 0 0 0
- -2.6862 -1.1859 0.0592 C 0 0 0
- -4.8166 0.9125 0.2687 C 0 0 0
- -2.9916 2.5909 0.2658 C 0 0 0
- -0.6789 2.0028 0.1462 C 0 0 0
- -0.0618 -0.2851 0.0144 O 0 0 0
- -4.1137 -1.4533 0.5320 C 0 0 1
- -5.0582 -0.5124 -0.2252 C 0 0 2
- -1.6648 2.9672 0.2305 C 0 0 0
- 1.1908 0.4026 -0.0011 C 0 0 0
- -4.4635 -2.8094 0.2477 O 0 0 0
- -4.7809 -0.5846 -1.6252 O 0 0 0
- 2.3299 -0.6147 -0.0932 C 0 0 0
- 3.6710 0.1215 -0.1098 C 0 0 0
- 2.2803 -1.4887 1.0363 O 0 0 0
- 4.7647 -0.8552 -0.1982 N 0 0 0
- 6.0168 -0.0870 -0.2099 C 0 0 0
- 6.0273 0.8527 -1.4173 C 0 0 0
- 6.1232 0.7344 1.0765 C 0 0 0
- 7.2038 -1.0479 -0.3011 C 0 0 0
- -2.6307 -2.2297 0.0000 H 0 0 0
- -1.6442 -1.2682 0.0000 H 0 0 0
- -4.9150 1.9531 0.0000 H 0 0 0
- -5.8611 0.9510 0.0000 H 0 0 0
- -3.7366 3.3241 0.0000 H 0 0 0
- 0.3285 2.2814 0.0000 H 0 0 0
- -3.8057 -0.4545 0.0000 H 0 0 0
- -6.0537 -0.8309 0.0000 H 0 0 0
- -1.4072 3.9802 0.0000 H 0 0 0
- 1.9707 1.0985 0.0000 H 0 0 0
- 0.5875 1.2561 0.0000 H 0 0 0
- -4.7246 -3.8215 0.0000 H 0 0 0
- -3.7694 -0.8480 0.0000 H 0 0 0
- 1.3642 -1.0146 0.0000 H 0 0 0
- 4.4509 0.8174 0.0000 H 0 0 0
- 3.0677 0.9750 0.0000 H 0 0 0
- 2.2211 -2.5322 0.0000 H 0 0 0
- 4.6715 -1.8963 0.0000 H 0 0 0
- 7.0725 0.8410 0.0000 H 0 0 0
- 6.0390 1.8979 0.0000 H 0 0 0
- 4.9821 0.8644 0.0000 H 0 0 0
- 7.1598 0.6001 0.0000 H 0 0 0
- 6.2575 1.7710 0.0000 H 0 0 0
- 5.0866 0.8687 0.0000 H 0 0 0
- 6.5461 -1.8603 0.0000 H 0 0 0
- 8.0162 -1.7056 0.0000 H 0 0 0
- 7.8615 -0.2355 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 19 22 1 0
- 7 11 1 0
- 9 10 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 20 41 1 0
- 20 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
- 22 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-484-78-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -1.2082 0.4405 0.1759 C 0 0 0
- -2.1288 -0.6208 0.1456 C 0 0 0
- 0.1585 0.2184 0.6594 C 0 0 0
- -1.6029 1.7110 -0.2644 C 0 0 0
- -3.4243 -0.3947 -0.3165 C 0 0 0
- -1.7504 -1.8871 0.5739 N 0 0 0
- 1.2953 0.1001 -0.3228 C 0 0 0
- 0.3738 0.1300 1.8500 O 0 0 0
- -2.8847 1.9127 -0.7224 C 0 0 0
- -3.7964 0.8680 -0.7414 C 0 0 0
- -4.3223 -1.4157 -0.3500 O 0 0 0
- 2.6226 0.0530 0.4368 C 0 0 0
- 3.7231 -0.3720 -0.5009 C 0 0 0
- 2.9259 1.3855 0.9757 N 0 0 0
- 4.0170 -1.6738 -0.6445 O 0 0 0
- 4.3410 0.4591 -1.1234 O 0 0 0
- -0.9531 2.4627 0.0000 H 0 0 0
- -2.4327 -2.6095 0.0000 H 0 0 0
- -0.7836 -2.1167 0.0000 H 0 0 0
- 0.7305 -0.7174 0.0000 H 0 0 0
- 1.7412 -0.7879 0.0000 H 0 0 0
- -3.2241 2.8466 0.0000 H 0 0 0
- -4.7671 1.0805 0.0000 H 0 0 0
- -4.9785 -2.1618 0.0000 H 0 0 0
- 2.4232 -0.9205 0.0000 H 0 0 0
- 3.8752 1.6790 0.0000 H 0 0 0
- 2.1971 2.0609 0.0000 H 0 0 0
- 4.2358 -2.6431 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 9 10 2 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-590-88-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.2665 -0.5942 0.1418 C 0 0 0
- -1.0744 -0.0511 -0.3559 C 0 0 0
- 1.3933 0.3370 -0.3102 C 0 0 0
- -2.2012 -0.9822 0.0960 C 0 0 0
- -1.2957 1.2908 0.1993 N 0 0 0
- 2.6808 -0.1845 0.1678 N 0 0 0
- -0.3006 -1.5193 0.0000 H 0 0 0
- 1.0858 -1.3056 0.0000 H 0 0 0
- -0.2271 0.6267 0.0000 H 0 0 0
- 1.9604 1.2620 0.0000 H 0 0 0
- 0.5740 1.0484 0.0000 H 0 0 0
- -2.8924 -0.1458 0.0000 H 0 0 0
- -3.0376 -1.6734 0.0000 H 0 0 0
- -1.5100 -1.8186 0.0000 H 0 0 0
- -0.4568 1.9790 0.0000 H 0 0 0
- -2.3111 1.6732 0.0000 H 0 0 0
- 2.8309 -1.2591 0.0000 H 0 0 0
- 3.5364 0.4828 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117929-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.7407 0.0002 0.0041 C 0 0 0
- -0.7407 0.0003 -0.0032 C 0 0 0
- 1.4242 1.1997 0.1712 C 0 0 0
- 1.4234 -1.1990 -0.1722 C 0 0 0
- -1.4241 1.1998 -0.1704 C 0 0 0
- -1.4235 -1.1989 0.1731 C 0 0 0
- 2.8045 1.1933 0.1602 C 0 0 0
- 0.6557 2.4737 0.3898 C 0 0 0
- 2.8040 -1.1929 -0.1631 C 0 0 0
- 0.6534 -2.4717 -0.3923 C 0 0 0
- -2.8044 1.1934 -0.1601 C 0 0 0
- -0.6556 2.4739 -0.3882 C 0 0 0
- -2.8041 -1.1929 0.1632 C 0 0 0
- -0.6536 -2.4715 0.3940 C 0 0 0
- 3.4872 -0.0002 -0.0011 C 0 0 0
- -3.4872 -0.0002 0.0008 C 0 0 0
- 4.9674 -0.0008 -0.0003 N 0 3 0
- -4.9674 -0.0008 -0.0009 N 0 3 0
- 5.5761 -1.0463 -0.1417 O 0 0 0
- 5.5767 1.0443 0.1416 O 0 5 0
- -5.5762 -1.0463 0.1400 O 0 0 0
- -5.5767 1.0443 -0.1432 O 0 5 0
- 3.3260 2.0876 0.0000 H 0 0 0
- 1.6239 2.8401 0.0000 H 0 0 0
- 0.4695 3.4921 0.0000 H 0 0 0
- 3.3251 -2.0874 0.0000 H 0 0 0
- 0.4666 -3.4899 0.0000 H 0 0 0
- 1.6213 -2.8391 0.0000 H 0 0 0
- -3.3259 2.0877 0.0000 H 0 0 0
- -0.4692 3.4922 0.0000 H 0 0 0
- -1.6238 2.8404 0.0000 H 0 0 0
- -3.3252 -2.0874 0.0000 H 0 0 0
- -1.6215 -2.8388 0.0000 H 0 0 0
- -0.4670 -3.4898 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 17 20 1 0
- 18 21 2 0
- 18 22 1 0
- 8 12 1 0
- 9 15 2 0
- 10 14 1 0
- 13 16 2 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1953-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.7510 -0.6276 0.0658 C 0 0 0
- -0.4513 -0.0495 0.2570 N 0 0 0
- 1.9872 -0.0135 0.6707 C 0 0 0
- 0.8375 -1.6449 -0.5889 O 0 0 0
- -1.6530 -0.6465 -0.3310 C 0 0 0
- 3.0055 -1.1135 0.9771 C 0 0 0
- 2.7090 1.1698 -0.4994 S 0 0 0
- -2.8558 0.1869 0.0294 C 0 0 0
- -4.0747 -0.1717 -0.4033 O 0 0 0
- -2.7228 1.1778 0.7078 O 0 0 0
- -0.4578 0.9568 0.0000 H 0 0 0
- 1.3071 0.7283 0.0000 H 0 0 0
- -2.3564 -1.3663 0.0000 H 0 0 0
- -1.0609 -1.4603 0.0000 H 0 0 0
- 2.2670 -1.7972 0.0000 H 0 0 0
- 3.6892 -1.8520 0.0000 H 0 0 0
- 3.7440 -0.4298 0.0000 H 0 0 0
- 3.2331 2.0289 0.0000 H 0 0 0
- -5.0402 -0.4557 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3442-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.1178 0.3765 -0.0060 C 0 0 0
- 0.1375 -1.0689 -0.0030 C 0 0 0
- 0.8965 1.2349 -0.0053 N 0 0 0
- -1.4551 0.8284 -0.0038 C 0 0 0
- 1.3844 -1.5280 0.0005 N 0 0 0
- -0.9640 -1.9517 -0.0034 C 0 0 0
- 2.1432 0.7759 -0.0017 C 0 0 0
- -2.4679 -0.0751 0.0010 C 0 0 0
- 2.3984 -0.6697 0.0013 C 0 0 0
- -2.2251 -1.4498 -0.0066 C 0 0 0
- 3.2449 1.6586 -0.0004 C 0 0 0
- -3.8664 0.4098 0.0033 N 0 3 0
- 3.7358 -1.1218 0.0045 C 0 0 0
- 4.5058 1.1565 0.0037 C 0 0 0
- -4.7873 -0.3873 0.0076 O 0 0 0
- -4.0962 1.6059 0.0008 O 0 5 0
- 4.7486 -0.2183 0.0047 C 0 0 0
- -1.6586 1.8258 0.0000 H 0 0 0
- -0.8135 -2.9585 0.0000 H 0 0 0
- -3.0145 -2.0926 0.0000 H 0 0 0
- 3.0945 2.6654 0.0000 H 0 0 0
- 3.9393 -2.1192 0.0000 H 0 0 0
- 5.2952 1.7992 0.0000 H 0 0 0
- 5.7104 -0.5518 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 7 9 1 0
- 8 10 1 0
- 14 17 1 0
- 4 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 17 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2012-00-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -2.2056 0.9527 -0.1103 C 0 0 0
- -1.5203 -0.7267 -0.1307 P 0 0 0
- -2.4757 1.6036 -1.2997 C 0 0 0
- -2.4631 1.5794 1.0944 C 0 0 0
- -0.6050 -0.9488 1.1751 O 0 0 0
- -2.7229 -1.7972 -0.1316 O 0 0 0
- -0.6969 -0.9088 -1.3470 O 0 0 0
- -2.9979 2.8832 -1.2841 C 0 0 0
- -2.9855 2.8594 1.1100 C 0 0 0
- 0.6638 -0.6074 0.8281 C 0 0 0
- -2.1219 -3.0936 -0.1415 C 0 0 0
- -3.2501 3.5123 -0.0791 C 0 0 0
- 1.0828 0.7109 0.9357 C 0 0 0
- 1.5439 -1.5773 0.3712 C 0 0 0
- -3.2107 -4.1614 -0.0194 C 0 0 0
- 2.3731 1.0553 0.5829 C 0 0 0
- 2.8335 -1.2278 0.0196 C 0 0 0
- 3.2470 0.0874 0.1227 C 0 0 0
- 4.6290 0.4591 -0.2547 N 0 3 0
- 5.3996 -0.3926 -0.6601 O 0 0 0
- 4.9957 1.6167 -0.1598 O 0 5 0
- -3.3945 1.2255 0.0000 H 0 0 0
- -3.3825 1.2029 0.0000 H 0 0 0
- -3.9189 2.5107 0.0000 H 0 0 0
- -3.9058 2.4851 0.0000 H 0 0 0
- -1.5113 -3.8774 0.0000 H 0 0 0
- -1.2738 -2.5760 0.0000 H 0 0 0
- -3.6215 4.4338 0.0000 H 0 0 0
- 0.3969 1.4297 0.0000 H 0 0 0
- 1.2649 -2.5309 0.0000 H 0 0 0
- -3.9064 -3.4521 0.0000 H 0 0 0
- -3.9200 -4.8571 0.0000 H 0 0 0
- -2.5150 -4.8707 0.0000 H 0 0 0
- 2.6551 2.0080 0.0000 H 0 0 0
- 3.5219 -1.9442 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 13 16 2 0
- 14 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 12 2 0
- 17 18 2 0
- 3 22 1 0
- 4 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102822-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.0800 -0.0547 -0.0009 C 0 0 0
- -1.0849 0.8466 -0.0220 C 0 0 0
- 1.2979 0.4439 -0.0050 C 0 0 0
- -0.1183 -1.5139 0.0310 C 0 0 0
- -2.4480 0.2886 -0.0175 C 0 0 0
- -0.9077 2.1505 -0.0446 C 0 0 0
- 2.4628 -0.4574 0.0163 C 0 0 0
- 1.4962 1.9033 -0.0304 C 0 0 0
- -1.4815 -2.0718 0.0414 C 0 0 0
- 0.9224 -2.3192 0.0498 C 0 0 0
- -2.6463 -1.1708 0.0076 C 0 0 0
- -3.4888 1.0938 -0.0353 C 0 0 0
- 0.4555 2.7085 -0.0493 C 0 0 0
- -2.0726 3.0518 -0.0656 C 0 0 0
- 2.2856 -1.7612 0.0391 C 0 0 0
- 3.7168 0.0560 0.0121 N 0 3 0
- -1.6439 -3.2666 0.0670 O 0 0 0
- -3.7624 -1.6277 0.0115 O 0 0 0
- -3.2905 2.5532 -0.0604 C 0 0 0
- 4.5316 -0.3338 -0.8050 O 0 0 0
- 4.0291 0.9071 0.8254 O 0 5 0
- 2.4775 2.3051 0.0000 H 0 0 0
- 0.7797 -3.3699 0.0000 H 0 0 0
- -4.4701 0.6920 0.0000 H 0 0 0
- 0.5982 3.7592 0.0000 H 0 0 0
- -1.9299 4.1025 0.0000 H 0 0 0
- 3.1241 -2.4102 0.0000 H 0 0 0
- -4.1291 3.2022 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 2 0
- 11 18 2 0
- 12 19 1 0
- 16 20 2 0
- 16 21 1 0
- 8 13 2 0
- 9 11 1 0
- 10 15 1 0
- 14 19 2 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10147-37-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.0365 -0.4766 -0.1046 S 0 0 0
- -1.3283 0.5276 0.5432 C 0 0 0
- 0.2873 -1.6101 0.7148 O 0 0 0
- -0.0047 -0.5639 -1.5223 O 0 0 0
- 1.6576 0.6823 0.2258 Cl 0 0 0
- -1.3912 1.8538 -0.2172 C 0 0 0
- -2.6470 -0.2269 0.3624 C 0 0 0
- -0.3873 1.0319 0.0000 H 0 0 0
- -0.3248 1.9044 0.0000 H 0 0 0
- -1.4418 2.9202 0.0000 H 0 0 0
- -2.4576 1.8032 0.0000 H 0 0 0
- -3.1772 0.6998 0.0000 H 0 0 0
- -3.5737 -0.7571 0.0000 H 0 0 0
- -2.1168 -1.1536 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 2 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.6935 -0.3229 0.0000 C 0 0 0
- -0.6935 0.3229 0.0000 C 0 0 0
- 1.7647 0.7696 0.0000 C 0 0 0
- -1.7647 -0.7696 0.0000 C 0 0 0
- 3.0991 0.1483 0.0000 C 0 0 0
- -3.0991 -0.1483 0.0000 C 0 0 0
- 4.1290 -0.3311 0.0000 N 0 0 0
- -4.1290 0.3311 0.0000 N 0 0 0
- 0.1174 -1.2646 0.0000 H 0 0 0
- 1.5641 -1.0018 0.0000 H 0 0 0
- -0.1174 1.2646 0.0000 H 0 0 0
- -1.5641 1.0018 0.0000 H 0 0 0
- 2.3408 1.7113 0.0000 H 0 0 0
- 0.8941 1.4485 0.0000 H 0 0 0
- -2.3408 -1.7113 0.0000 H 0 0 0
- -0.8941 -1.4485 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 3 0
- 6 8 3 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62450-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.2722 -0.3043 -0.0022 C 0 0 0
- -1.2011 -0.3310 -0.0016 C 0 0 0
- 0.6440 1.0539 0.0003 C 0 0 0
- 1.2598 -1.2805 0.0005 C 0 0 0
- -1.6225 1.0072 0.0012 C 0 0 0
- -2.1423 -1.3576 -0.0029 C 0 0 0
- -0.5004 1.8199 0.0023 N 0 0 0
- 2.0008 1.3623 0.0008 C 0 0 0
- 2.5340 -0.9410 -0.0010 N 0 0 0
- 0.8729 -2.7370 0.0056 C 0 0 0
- -2.9839 1.2930 0.0017 C 0 0 0
- -3.4869 -1.0546 -0.0013 C 0 0 0
- 2.9237 0.3276 -0.0013 C 0 0 0
- -3.9048 0.2672 -0.0007 C 0 0 0
- 4.2826 0.6245 -0.0014 N 0 0 0
- -1.8310 -2.3515 0.0000 H 0 0 0
- -0.5197 2.8612 0.0000 H 0 0 0
- 2.3180 2.3543 0.0000 H 0 0 0
- -0.1337 -2.4696 0.0000 H 0 0 0
- 0.6055 -3.7436 0.0000 H 0 0 0
- 1.8795 -3.0044 0.0000 H 0 0 0
- -3.3077 2.2829 0.0000 H 0 0 0
- -4.1915 -1.8215 0.0000 H 0 0 0
- -4.9228 0.4870 0.0000 H 0 0 0
- 4.9839 -0.1455 0.0000 H 0 0 0
- 4.5988 1.6168 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 13 15 1 0
- 5 7 1 0
- 9 13 1 0
- 12 14 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33037-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.6940 0.3722 -0.0555 C 0 0 0
- -1.9540 1.0018 0.5420 C 0 0 0
- 0.5417 0.9420 0.6440 C 0 0 0
- -0.7463 -1.4148 0.1782 Cl 0 0 0
- -3.4101 0.3303 -0.2823 Cl 0 0 0
- 2.1607 0.1331 -0.1238 Br 0 0 0
- -0.6752 1.5747 0.0000 H 0 0 0
- -1.1899 1.9305 0.0000 H 0 0 0
- -2.6887 1.9539 0.0000 H 0 0 0
- 1.3058 1.8707 0.0000 H 0 0 0
- -0.1930 1.8941 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-161697-03-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.2018 0.3671 0.0030 C 0 0 0
- -0.0838 -1.0224 0.0006 C 0 0 0
- 1.5386 0.7960 0.0022 C 0 0 0
- -0.8051 1.2485 0.0004 N 0 0 0
- -1.3560 -1.4335 0.0010 N 0 0 0
- 0.9757 -1.9480 -0.0024 C 0 0 0
- 2.5519 -0.1371 -0.0009 C 0 0 0
- 1.8628 2.2677 0.0051 C 0 0 0
- -2.0466 0.8185 -0.0043 C 0 0 0
- -2.3271 -0.5489 0.0034 C 0 0 0
- 2.2608 -1.5080 -0.0032 C 0 0 0
- 3.8805 0.2865 -0.0017 N 0 0 0
- -3.1797 1.8121 -0.0068 C 0 0 0
- -3.7601 -1.0155 0.0038 C 0 0 0
- 0.7738 -2.9752 0.0000 H 0 0 0
- 2.8852 2.0425 0.0000 H 0 0 0
- 2.0880 3.2901 0.0000 H 0 0 0
- 0.8404 2.4929 0.0000 H 0 0 0
- 3.0444 -2.2023 0.0000 H 0 0 0
- 4.6546 -0.4183 0.0000 H 0 0 0
- 4.1038 1.3093 0.0000 H 0 0 0
- -2.4895 2.5992 0.0000 H 0 0 0
- -3.9668 2.5023 0.0000 H 0 0 0
- -3.8699 1.0250 0.0000 H 0 0 0
- -4.0842 -0.0200 0.0000 H 0 0 0
- -4.7556 -1.3396 0.0000 H 0 0 0
- -3.4360 -2.0110 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 7 11 1 0
- 9 10 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15299-08-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 46 1 V2000
- 0.2526 0.0241 0.0022 C 0 0 0
- -0.9540 -0.6557 0.0005 C 0 0 0
- 0.0442 1.4634 0.0040 C 0 0 0
- 1.5162 -0.5789 -0.0031 C 0 0 0
- -2.0194 0.3611 -0.0014 C 0 0 0
- -0.8845 -2.0655 0.0015 C 0 0 0
- -1.4217 1.6453 0.0015 C 0 0 0
- 1.1418 2.2696 0.0066 C 0 0 0
- 2.6760 0.3225 -0.0026 C 0 0 0
- 1.5848 -1.9619 -0.0079 C 0 0 0
- -3.4107 0.2591 -0.0052 C 0 0 0
- 0.3876 -2.7032 0.0015 C 0 0 0
- -2.0497 -2.8474 0.0031 C 0 0 0
- -2.2295 2.7782 0.0016 C 0 0 0
- 2.4498 1.7210 0.0055 C 0 0 0
- 3.9786 -0.1718 -0.0111 C 0 0 0
- -4.1902 1.3957 -0.0055 C 0 0 0
- 0.4406 -4.1125 0.0020 C 0 0 0
- -1.9547 -4.2051 0.0040 C 0 0 0
- -3.6030 2.6510 -0.0023 C 0 0 0
- 3.5592 2.5837 0.0085 C 0 0 0
- 5.0422 0.7031 -0.0093 C 0 0 0
- -0.7104 -4.8347 0.0033 C 0 0 0
- -4.4697 3.8838 -0.0020 C 0 0 0
- 4.8237 2.0751 0.0046 C 0 0 0
- 1.0182 3.3105 0.0000 H 0 0 0
- 2.5129 -2.4491 0.0000 H 0 0 0
- -3.8650 -0.6855 0.0000 H 0 0 0
- -2.9913 -2.3868 0.0000 H 0 0 0
- -1.7930 3.7312 0.0000 H 0 0 0
- 4.1485 -1.2061 0.0000 H 0 0 0
- -5.2349 1.3101 0.0000 H 0 0 0
- 1.3672 -4.6025 0.0000 H 0 0 0
- -2.8279 -4.7849 0.0000 H 0 0 0
- 3.4137 3.6217 0.0000 H 0 0 0
- 6.0224 0.3316 0.0000 H 0 0 0
- -0.6622 -5.8818 0.0000 H 0 0 0
- -3.6122 4.4866 0.0000 H 0 0 0
- -5.0725 4.7413 0.0000 H 0 0 0
- -5.3272 3.2810 0.0000 H 0 0 0
- 5.6432 2.7286 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 2 0
- 20 24 1 0
- 21 25 2 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 20 1 0
- 19 23 1 0
- 22 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
- 24 39 1 0
- 24 40 1 0
- 25 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5466-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 47 1 V2000
- 1.7237 1.0903 -0.3523 C 0 0 0
- 0.7398 0.1863 -0.1530 C 0 0 0
- 3.1273 0.7058 -0.1478 C 0 0 0
- -0.6143 0.5573 -0.3503 C 0 0 0
- 4.1487 1.6405 -0.3536 C 0 0 0
- 3.4471 -0.5952 0.2592 C 0 0 0
- -1.5971 -0.3456 -0.1512 O 0 0 0
- -0.8901 1.6896 -0.6990 O 0 0 0
- 5.4619 1.2753 -0.1602 C 0 0 0
- 4.7631 -0.9500 0.4498 C 0 0 0
- -2.8313 0.3199 -0.4266 C 0 0 0
- 5.7743 -0.0191 0.2388 C 0 0 0
- -3.9931 -0.6538 -0.2186 C 0 0 0
- 7.0707 -0.3743 0.4277 O 0 0 0
- -5.3146 0.0587 -0.5135 C 0 0 0
- -3.8346 -1.8462 -1.1640 C 0 0 0
- 7.0689 -1.7459 0.8287 C 0 0 0
- -6.1810 0.0688 0.7475 C 0 0 0
- -3.8156 -3.1424 -0.3513 C 0 0 0
- -7.4552 0.8737 0.4844 C 0 0 0
- -8.3216 0.8838 1.7454 C 0 0 0
- 1.4828 2.0838 0.0000 H 0 0 0
- 0.9806 -0.8072 0.0000 H 0 0 0
- 3.9107 2.6347 0.0000 H 0 0 0
- 2.7162 -1.3099 0.0000 H 0 0 0
- 6.1971 1.9856 0.0000 H 0 0 0
- 5.0065 -1.9429 0.0000 H 0 0 0
- -2.2367 1.1514 0.0000 H 0 0 0
- -3.5813 1.0145 0.0000 H 0 0 0
- -4.8343 -1.2346 0.0000 H 0 0 0
- -4.5418 0.7279 0.0000 H 0 0 0
- -5.6661 1.0186 0.0000 H 0 0 0
- -2.9231 -2.3090 0.0000 H 0 0 0
- -3.0006 -1.2551 0.0000 H 0 0 0
- 6.0467 -1.7446 0.0000 H 0 0 0
- 7.0676 -2.7681 0.0000 H 0 0 0
- 8.0911 -1.7472 0.0000 H 0 0 0
- -6.9837 -0.5642 0.0000 H 0 0 0
- -5.8517 -0.8989 0.0000 H 0 0 0
- -4.8377 -3.1574 0.0000 H 0 0 0
- -3.8006 -4.1645 0.0000 H 0 0 0
- -2.7935 -3.1274 0.0000 H 0 0 0
- -6.6525 1.5067 0.0000 H 0 0 0
- -7.7845 1.8414 0.0000 H 0 0 0
- -8.3097 1.9060 0.0000 H 0 0 0
- -9.3438 0.8957 0.0000 H 0 0 0
- -8.3335 -0.1384 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 9 2 0
- 13 11 1 0
- 14 12 1 0
- 15 13 1 0
- 16 13 1 0
- 17 14 1 0
- 18 15 1 0
- 19 16 1 0
- 20 18 1 0
- 21 20 1 0
- 10 12 1 0
- 1 22 1 0
- 2 23 1 0
- 5 24 1 0
- 6 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 21 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4098-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- -0.7743 0.5593 -0.0831 C 0 0 0
- -0.0234 -0.3948 -1.0023 C 0 0 0
- -0.1394 1.9329 -0.0410 C 0 0 0
- -2.2049 0.7173 -0.6512 C 0 0 0
- -0.9127 -0.0383 1.3187 C 0 0 0
- 1.4636 -0.4059 -0.7505 C 0 0 0
- 1.3644 1.9784 0.1111 C 0 0 0
- -2.8645 -0.5904 -0.6836 N 0 0 0
- 2.0879 0.9639 -0.7584 C 0 0 0
- 1.8658 -1.2296 0.3713 N 0 0 0
- 1.8403 3.3853 -0.3252 C 0 0 0
- 1.7763 1.8071 1.5781 C 0 0 0
- -3.9187 -0.7749 -0.0377 C 0 0 0
- 2.6482 -2.1882 0.1941 C 0 0 0
- -4.9374 -0.9531 0.5865 O 0 0 0
- 3.4044 -3.1146 0.0228 O 0 0 0
- -0.8652 -0.7932 0.0000 H 0 0 0
- 0.1774 -1.3042 0.0000 H 0 0 0
- -0.0241 2.8570 0.0000 H 0 0 0
- -1.0348 2.1890 0.0000 H 0 0 0
- -1.9934 1.6243 0.0000 H 0 0 0
- -3.0803 1.0350 0.0000 H 0 0 0
- -1.8200 0.1718 0.0000 H 0 0 0
- -1.1228 -0.9456 0.0000 H 0 0 0
- -0.0054 -0.2484 0.0000 H 0 0 0
- 2.3948 -0.3935 0.0000 H 0 0 0
- 2.8554 0.4364 0.0000 H 0 0 0
- 2.7407 1.6281 0.0000 H 0 0 0
- 2.7225 3.0869 0.0000 H 0 0 0
- 2.1387 4.2675 0.0000 H 0 0 0
- 0.9581 3.6837 0.0000 H 0 0 0
- 1.4187 0.9472 0.0000 H 0 0 0
- 2.6362 1.4495 0.0000 H 0 0 0
- 2.1339 2.6670 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 2 0
- 14 16 2 0
- 7 9 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 5 25 1 0
- 6 26 1 0
- 9 27 1 0
- 9 28 1 0
- 11 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 12 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-09-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.4378 0.1483 0.0033 C 0 0 0
- 0.5301 -0.8370 0.0029 C 0 0 0
- -0.0698 1.4811 0.0010 C 0 0 0
- -1.8705 -0.2229 0.0001 N 0 3 0
- 1.8744 -0.4878 0.0001 C 0 0 0
- 1.2679 1.8324 -0.0018 C 0 0 0
- -2.7247 0.6454 0.0004 O 0 0 0
- -2.1955 -1.3968 -0.0030 O 0 5 0
- 2.2407 0.8524 -0.0022 C 0 0 0
- 2.8558 -1.4816 0.0001 N 0 0 0
- 0.2534 -1.8366 0.0000 H 0 0 0
- -0.7985 2.2191 0.0000 H 0 0 0
- 1.5407 2.8330 0.0000 H 0 0 0
- 3.2437 1.1165 0.0000 H 0 0 0
- 2.5811 -2.4817 0.0000 H 0 0 0
- 3.8593 -1.2195 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 9 2 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5470-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.8159 -3.2469 -0.3794 C 0 0 0
- -0.9660 -1.9107 0.3505 C 0 0 0
- 0.3147 -1.1217 0.2242 C 0 0 0
- -2.0607 -1.1407 -0.2572 N 0 0 0
- 0.3320 0.2125 -0.0044 C 0 0 0
- 1.5964 -1.5903 0.3127 N 0 0 0
- -2.0917 0.1807 0.3807 C 0 0 0
- 1.7160 0.6192 -0.0702 C 0 0 0
- -0.9261 1.0331 -0.1421 C 0 0 0
- 2.4779 -0.5611 0.1380 C 0 0 0
- -3.3965 0.8630 0.0597 C 0 0 0
- 2.3369 1.8538 -0.2825 C 0 0 0
- 3.8699 -0.5155 0.1362 C 0 0 0
- -4.2165 0.3046 -0.6301 O 0 0 0
- -3.6478 2.0909 0.5402 O 0 0 0
- 3.7100 1.8681 -0.2791 C 0 0 0
- 4.4574 0.7199 -0.0763 C 0 0 0
- -1.8370 -3.3616 0.0000 H 0 0 0
- -0.7012 -4.2680 0.0000 H 0 0 0
- 0.2052 -3.1322 0.0000 H 0 0 0
- -1.8500 -2.4344 0.0000 H 0 0 0
- -2.9670 -1.6248 0.0000 H 0 0 0
- 1.8566 -2.5843 0.0000 H 0 0 0
- -1.1701 -0.2736 0.0000 H 0 0 0
- -0.2654 1.8200 0.0000 H 0 0 0
- -1.6279 1.7836 0.0000 H 0 0 0
- 1.7932 2.7257 0.0000 H 0 0 0
- 4.4329 -1.3751 0.0000 H 0 0 0
- -3.8538 3.0976 0.0000 H 0 0 0
- 4.1951 2.7739 0.0000 H 0 0 0
- 5.4826 0.7882 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 7 1 0
- 12 8 2 0
- 13 10 2 0
- 14 11 2 0
- 15 11 1 0
- 16 12 1 0
- 17 13 1 0
- 7 9 1 0
- 8 10 1 0
- 16 17 2 0
- 1 18 1 0
- 1 19 1 0
- 1 20 1 0
- 2 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-41533-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.4043 -0.1059 -0.0017 C 0 0 0
- -0.8314 0.5820 -0.0009 C 0 0 0
- 1.6106 0.5616 0.0000 C 0 0 0
- -0.0938 -1.8067 0.0023 S 0 0 0
- -1.9735 -0.3133 -0.0025 C 0 0 0
- -0.7755 1.9942 0.0011 C 0 0 0
- 1.6234 1.9314 0.0024 C 0 0 0
- 2.8823 -0.1960 -0.0013 N 0 3 0
- -1.7894 -1.5985 0.0046 N 0 0 0
- -3.5845 0.3336 -0.0019 Cl 0 0 0
- 0.4243 2.6341 0.0023 C 0 0 0
- 3.9454 0.3985 0.0001 O 0 0 0
- 2.8656 -1.4139 -0.0039 O 0 5 0
- -1.6660 2.5527 0.0000 H 0 0 0
- 2.5379 2.4498 0.0000 H 0 0 0
- 0.4454 3.6851 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 5 9 2 0
- 7 11 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110419-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.0466 0.8035 0.0127 C 0 0 0
- 0.5983 -0.3172 -0.0057 C 0 0 0
- 0.8727 1.9405 0.0150 C 0 0 0
- -1.4957 0.9634 0.0238 C 0 0 0
- 2.0352 -0.0008 -0.0172 C 0 0 0
- -0.2235 -1.5425 -0.0102 C 0 0 0
- 2.2044 1.3163 -0.0049 C 0 0 0
- 0.3423 3.1379 0.0324 C 0 0 0
- -2.2271 -0.1251 0.0149 C 0 0 0
- -1.9968 2.3481 0.0438 C 0 0 0
- 3.2201 -0.8786 -0.0392 C 0 0 0
- -1.5401 -1.4355 0.0047 C 0 0 0
- 0.3652 -2.7629 -0.0297 N 0 3 0
- 3.5614 1.8842 -0.0121 C 0 0 0
- -1.1165 3.3330 0.0490 C 0 0 0
- -3.5801 -0.0515 0.0249 N 0 3 0
- 4.4302 -0.3669 -0.0462 C 0 0 0
- -0.0211 -3.6129 -0.8119 O 0 0 0
- 1.2806 -3.0098 0.7349 O 0 5 0
- 4.6131 1.0946 -0.0309 C 0 0 0
- -4.2205 -0.7202 0.8163 O 0 0 0
- -4.1558 0.6833 -0.7575 O 0 5 0
- 0.9519 3.9510 0.0000 H 0 0 0
- -2.9945 2.5411 0.0000 H 0 0 0
- 3.0997 -1.8877 0.0000 H 0 0 0
- -2.1008 -2.2830 0.0000 H 0 0 0
- 3.6869 2.8926 0.0000 H 0 0 0
- -1.4690 4.2861 0.0000 H 0 0 0
- 5.2407 -0.9800 0.0000 H 0 0 0
- 5.5487 1.4914 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 13 18 2 0
- 13 19 1 0
- 14 20 2 0
- 16 21 2 0
- 16 22 1 0
- 5 7 2 0
- 9 12 1 0
- 10 15 2 0
- 17 20 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133831-60-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.8081 -0.7199 0.0477 C 0 0 0
- -3.0590 -0.1484 -0.1942 C 0 0 0
- -0.6730 0.0664 1.1421 S 0 0 0
- -1.4626 -1.9204 -0.5771 C 0 0 0
- -3.9428 -0.7686 -1.0518 C 0 0 0
- -3.4356 1.1202 0.4689 N 0 3 0
- 1.0370 -0.7187 1.4702 S 0 0 0
- -2.3573 -2.5335 -1.4278 C 0 0 0
- -3.5922 -1.9557 -1.6726 C 0 0 0
- -4.5271 1.6175 0.2570 O 0 0 0
- -2.5270 1.7556 1.3497 O 0 5 0
- 2.3717 -0.3079 0.4798 C 0 0 0
- 2.2147 0.5757 -0.5384 C 0 0 0
- 3.9259 -1.0215 0.7780 Cl 0 0 0
- 3.5681 0.9922 -1.5427 Cl 0 0 0
- 0.6605 1.2893 -0.8366 Cl 0 0 0
- -0.5144 -2.2610 0.0000 H 0 0 0
- -4.8940 -0.4365 0.0000 H 0 0 0
- -2.2752 -3.5377 0.0000 H 0 0 0
- -4.3561 -2.6126 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 8 9 1 0
- 4 17 1 0
- 5 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13593-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -2.8154 0.7585 0.3433 C 0 0 0
- -2.9083 -0.4883 -0.3231 C 0 0 0
- -1.6115 1.2891 0.5908 N 0 0 0
- -3.9921 1.4166 0.7397 C 0 0 0
- -1.7918 -1.1240 -0.6990 N 0 0 0
- -4.1758 -1.0390 -0.5789 C 0 0 0
- -0.5253 0.6465 0.2121 C 0 0 0
- -5.2023 0.8506 0.4797 C 0 0 0
- -0.6208 -0.5892 -0.4482 C 0 0 0
- -5.2941 -0.3707 -0.1850 C 0 0 0
- 0.6946 1.1828 0.4617 O 0 0 0
- 1.7839 0.0634 0.0711 P 0 0 0
- 3.2503 0.5673 0.5045 O 0 0 0
- 1.4402 -1.3102 0.8373 O 0 0 0
- 1.7451 -0.2254 -1.7695 S 0 0 0
- 3.4500 1.8391 -0.1157 C 0 0 0
- 2.5268 -2.2046 0.5891 C 0 0 0
- 4.8329 2.3770 0.2576 C 0 0 0
- 2.2618 -3.5368 1.2933 C 0 0 0
- -3.9561 2.4090 0.0000 H 0 0 0
- -4.2397 -2.0300 0.0000 H 0 0 0
- -6.0196 1.4148 0.0000 H 0 0 0
- 0.1933 -1.1579 0.0000 H 0 0 0
- -6.1756 -0.8280 0.0000 H 0 0 0
- 3.2572 2.8133 0.0000 H 0 0 0
- 2.4571 1.8194 0.0000 H 0 0 0
- 3.4561 -2.5549 0.0000 H 0 0 0
- 3.0242 -1.3450 0.0000 H 0 0 0
- 5.1929 1.4515 0.0000 H 0 0 0
- 5.7584 2.7370 0.0000 H 0 0 0
- 4.4729 3.3025 0.0000 H 0 0 0
- 1.2878 -3.3431 0.0000 H 0 0 0
- 2.0681 -4.5108 0.0000 H 0 0 0
- 3.2358 -3.7305 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 17 19 1 0
- 7 9 1 0
- 8 10 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-42-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 80 79 1 V2000
- 0.3888 0.9025 0.3078 P 0 0 0
- -0.8478 1.4099 -0.5897 O 0 0 0
- -0.0155 -0.4654 1.0544 O 0 0 0
- 1.6660 0.6411 -0.6370 O 0 0 0
- 0.7232 1.9340 1.3151 O 0 0 0
- -1.8549 1.8667 0.3153 C 0 0 0
- -0.2913 -1.4269 0.0338 C 0 0 0
- 2.7896 0.4622 0.2276 C 0 0 0
- -3.0647 2.3653 -0.4776 C 0 0 0
- -0.6840 -2.7573 0.6794 C 0 0 0
- 4.0435 0.2081 -0.6115 C 0 0 0
- -4.1430 2.8545 0.4913 C 0 0 0
- -2.6374 3.5176 -1.3890 C 0 0 0
- -0.9793 -3.7868 -0.4133 C 0 0 0
- 0.4662 -3.2586 1.5549 C 0 0 0
- 5.2465 0.0166 0.3142 C 0 0 0
- 3.8448 -1.0516 -1.4569 C 0 0 0
- -5.4078 2.0120 0.3144 C 0 0 0
- -2.9416 3.1563 -2.8443 C 0 0 0
- -2.4483 -4.2072 -0.3343 C 0 0 0
- -0.0555 -3.5533 2.9627 C 0 0 0
- 6.2592 1.1379 0.0730 C 0 0 0
- 3.9944 -0.7003 -2.9385 C 0 0 0
- -6.5234 2.5751 1.1971 C 0 0 0
- -2.7150 -5.3218 -1.3480 C 0 0 0
- 7.5129 0.8818 0.9118 C 0 0 0
- -7.7882 1.7326 1.0202 C 0 0 0
- -4.1839 -5.7422 -1.2690 C 0 0 0
- 8.5256 2.0031 0.6706 C 0 0 0
- -1.0900 2.4279 0.0000 H 0 0 0
- -1.9695 2.8085 0.0000 H 0 0 0
- 0.3642 -2.1128 0.0000 H 0 0 0
- 0.6299 -1.1998 0.0000 H 0 0 0
- 3.4077 1.1820 0.0000 H 0 0 0
- 2.4628 1.3529 0.0000 H 0 0 0
- -3.4415 1.4946 0.0000 H 0 0 0
- -1.5950 -2.4922 0.0000 H 0 0 0
- 4.2123 1.1417 0.0000 H 0 0 0
- -3.5982 3.6312 0.0000 H 0 0 0
- -4.8057 3.5334 0.0000 H 0 0 0
- -1.6900 3.5684 0.0000 H 0 0 0
- -3.0605 4.3668 0.0000 H 0 0 0
- -0.8915 -4.7315 0.0000 H 0 0 0
- -0.0347 -3.8752 0.0000 H 0 0 0
- 1.0985 -3.9660 0.0000 H 0 0 0
- 1.0222 -2.4899 0.0000 H 0 0 0
- 4.9211 -0.8746 0.0000 H 0 0 0
- 6.0591 -0.4731 0.0000 H 0 0 0
- 2.9344 -1.3184 0.0000 H 0 0 0
- 4.4751 -1.7607 0.0000 H 0 0 0
- -5.9739 1.2507 0.0000 H 0 0 0
- -4.7545 1.3240 0.0000 H 0 0 0
- -3.6674 3.7674 0.0000 H 0 0 0
- -3.5527 2.4305 0.0000 H 0 0 0
- -2.2158 2.5452 0.0000 H 0 0 0
- -2.5501 -3.2639 0.0000 H 0 0 0
- -3.3951 -4.1468 0.0000 H 0 0 0
- -0.5221 -2.7272 0.0000 H 0 0 0
- -0.8816 -4.0199 0.0000 H 0 0 0
- 0.4111 -4.3794 0.0000 H 0 0 0
- 6.6104 2.0192 0.0000 H 0 0 0
- 5.4538 1.6393 0.0000 H 0 0 0
- 4.8673 -1.0720 0.0000 H 0 0 0
- 4.3661 0.1726 0.0000 H 0 0 0
- 3.1215 -0.3286 0.0000 H 0 0 0
- -5.9573 3.3364 0.0000 H 0 0 0
- -7.1767 3.2631 0.0000 H 0 0 0
- -2.6132 -6.2651 0.0000 H 0 0 0
- -1.7682 -5.3822 0.0000 H 0 0 0
- 7.1617 0.0005 0.0000 H 0 0 0
- 8.3183 0.3804 0.0000 H 0 0 0
- -8.3142 2.5222 0.0000 H 0 0 0
- -8.5778 1.2066 0.0000 H 0 0 0
- -7.2622 0.9430 0.0000 H 0 0 0
- -4.4449 -4.8301 0.0000 H 0 0 0
- -5.0960 -6.0032 0.0000 H 0 0 0
- -3.9229 -6.6543 0.0000 H 0 0 0
- 9.2297 1.3672 0.0000 H 0 0 0
- 9.1615 2.7072 0.0000 H 0 0 0
- 7.8215 2.6390 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 16 22 1 0
- 17 23 1 0
- 18 24 1 0
- 20 25 1 0
- 22 26 1 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 10 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 19 54 1 0
- 19 55 1 0
- 20 56 1 0
- 20 57 1 0
- 21 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
- 25 69 1 0
- 26 70 1 0
- 26 71 1 0
- 27 72 1 0
- 27 73 1 0
- 27 74 1 0
- 28 75 1 0
- 28 76 1 0
- 28 77 1 0
- 29 78 1 0
- 29 79 1 0
- 29 80 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6884-87-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -0.8367 -0.0388 -0.0747 C 0 0 0
- -0.0446 -0.7417 0.8149 C 0 0 0
- -0.2841 0.9558 -0.8602 C 0 0 0
- -2.5521 -0.4167 -0.2126 S 0 0 0
- 1.3013 -0.4519 0.9212 C 0 0 0
- 1.0616 1.2506 -0.7586 C 0 0 0
- -3.3337 0.3750 1.0140 N 0 0 0
- -2.9891 0.2049 -1.4134 O 0 0 0
- -2.6677 -1.8011 0.0860 O 0 0 0
- 1.8595 0.5467 0.1336 C 0 0 0
- -3.3728 1.8394 1.0328 C 0 0 0
- 3.2230 0.8429 0.2389 N 0 0 0
- 4.1411 -0.1120 -0.0095 C 0 0 0
- 5.6098 0.2185 0.0600 C 0 0 0
- 3.7853 -1.2373 -0.2890 O 0 0 0
- -0.2970 -1.7026 0.0000 H 0 0 0
- -0.8771 1.7529 0.0000 H 0 0 0
- 1.8919 -1.2508 0.0000 H 0 0 0
- 1.3109 2.2123 0.0000 H 0 0 0
- -4.2477 -0.0145 0.0000 H 0 0 0
- -2.3797 1.8659 0.0000 H 0 0 0
- -3.3993 2.8325 0.0000 H 0 0 0
- -4.3659 1.8129 0.0000 H 0 0 0
- 3.5124 1.7933 0.0000 H 0 0 0
- 5.8279 -0.7508 0.0000 H 0 0 0
- 6.5791 0.4366 0.0000 H 0 0 0
- 5.3917 1.1878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 6 10 2 0
- 2 16 1 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116374-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.9753 0.5531 -0.2745 C 0 0 0
- 0.1164 -0.5237 -0.5699 C 0 0 0
- 2.3032 0.2894 0.1528 C 0 0 0
- 0.5375 1.8828 -0.4024 C 0 0 0
- 0.6265 -1.8291 -0.4242 C 0 0 0
- -1.1795 -0.3077 -0.9871 N 0 0 0
- 2.7431 -0.9616 0.2761 N 0 0 0
- 3.1531 1.3772 0.4456 C 0 0 0
- 1.3880 2.9038 -0.1109 C 0 0 0
- -0.8434 2.1708 -0.8521 N 0 3 0
- 1.9666 -2.0101 0.0083 C 0 0 0
- -0.1719 -2.9520 -0.7013 C 0 0 0
- -2.0267 -0.3838 0.2106 C 0 0 0
- 2.6917 2.6499 0.3152 C 0 0 0
- 4.7828 1.0916 0.9712 Cl 0 0 0
- -1.1632 1.9623 -2.0087 O 0 0 0
- -1.6596 2.6163 -0.0654 O 0 5 0
- 2.4648 -3.3215 0.1500 C 0 0 0
- 0.3468 -4.2010 -0.5524 C 0 0 0
- -3.4986 -0.3077 -0.2003 C 0 0 0
- 1.6627 -4.3832 -0.1268 C 0 0 0
- -4.3810 -0.3870 1.0471 C 0 0 0
- -5.7941 -0.3140 0.6527 N 0 0 0
- -6.5824 -0.3950 1.8896 C 0 0 0
- -6.0098 1.0307 0.1021 C 0 0 0
- -1.1412 0.7059 0.0000 H 0 0 0
- 1.0479 3.8594 0.0000 H 0 0 0
- -1.1798 -2.8384 0.0000 H 0 0 0
- -2.5379 -1.2599 0.0000 H 0 0 0
- -1.4827 -1.2399 0.0000 H 0 0 0
- 3.3511 3.4207 0.0000 H 0 0 0
- 3.4689 -3.4650 0.0000 H 0 0 0
- -0.2730 -5.0039 0.0000 H 0 0 0
- -2.9874 0.5684 0.0000 H 0 0 0
- -4.0427 0.5484 0.0000 H 0 0 0
- 2.0512 -5.3202 0.0000 H 0 0 0
- -4.8921 -1.2631 0.0000 H 0 0 0
- -3.8369 -1.2431 0.0000 H 0 0 0
- -6.6861 0.6140 0.0000 H 0 0 0
- -7.5914 -0.4987 0.0000 H 0 0 0
- -6.4787 -1.4040 0.0000 H 0 0 0
- -5.0083 1.1914 0.0000 H 0 0 0
- -6.1705 2.0322 0.0000 H 0 0 0
- -7.0113 0.8700 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 18 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 14 1 0
- 19 21 1 0
- 6 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113698-18-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.7117 0.4812 0.0008 C 0 0 0
- -1.4807 -0.7104 -0.0100 C 0 0 0
- 0.6808 0.3599 0.0011 C 0 0 0
- -1.5881 1.5316 0.0141 N 0 0 0
- -2.8703 -0.2811 -0.0051 C 0 0 0
- -0.8255 -1.9431 -0.0216 C 0 0 0
- 1.2528 -0.9204 -0.0100 C 0 0 0
- 1.5516 1.5535 0.0123 C 0 0 0
- -2.8735 1.0693 0.0139 C 0 0 0
- -4.1080 -1.1408 -0.0091 C 0 0 0
- 0.4871 -2.0079 -0.0216 N 0 0 0
- -1.6335 -3.2151 -0.0338 C 0 0 0
- 2.7278 -1.0470 -0.0093 C 0 0 0
- 3.0101 1.3973 0.0124 C 0 0 0
- 1.0592 2.6654 0.0211 O 0 0 0
- -4.1344 1.9027 0.0261 C 0 0 0
- -5.3019 -0.2745 0.4109 C 0 0 0
- 3.5711 0.1708 0.0033 C 0 0 0
- 3.2448 -2.1458 -0.0186 O 0 0 0
- -5.3091 1.0152 -0.3998 C 0 0 0
- 4.9192 0.0514 0.0043 O 0 0 0
- 5.4513 1.3776 0.0174 C 0 0 0
- -1.3125 2.5466 0.0000 H 0 0 0
- -4.8169 -1.9177 0.0000 H 0 0 0
- -3.4152 -1.9321 0.0000 H 0 0 0
- -2.5212 -2.6512 0.0000 H 0 0 0
- -2.1974 -4.1028 0.0000 H 0 0 0
- -0.7458 -3.7790 0.0000 H 0 0 0
- 3.6248 2.2507 0.0000 H 0 0 0
- -3.4591 2.7089 0.0000 H 0 0 0
- -4.8591 2.6648 0.0000 H 0 0 0
- -6.3315 -0.0599 0.0000 H 0 0 0
- -5.7275 -1.2362 0.0000 H 0 0 0
- -5.7506 1.9697 0.0000 H 0 0 0
- -6.3356 0.7863 0.0000 H 0 0 0
- 6.4274 0.9860 0.0000 H 0 0 0
- 5.8429 2.3537 0.0000 H 0 0 0
- 4.4752 1.7692 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 13 18 1 0
- 13 19 2 0
- 16 20 1 0
- 18 21 1 0
- 21 22 1 0
- 5 9 2 0
- 7 11 1 0
- 14 18 2 0
- 17 20 1 0
- 4 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.1480 -0.2722 0.0000 C 0 0 0
- -1.2794 0.4356 0.0000 C 0 0 0
- 1.1437 0.4138 0.0000 C 0 0 0
- -2.6104 -0.2713 0.0000 C 0 0 0
- 2.1724 -0.2296 0.0000 O 0 0 0
- -0.1851 -1.3205 0.0000 H 0 0 0
- -1.2423 1.4839 0.0000 H 0 0 0
- 1.1808 1.4621 0.0000 H 0 0 0
- -3.1024 0.6551 0.0000 H 0 0 0
- -3.5368 -0.7633 0.0000 H 0 0 0
- -2.1184 -1.1977 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3930-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 62 1 V2000
- -2.2126 -0.8380 -0.2176 C 0 0 0
- -3.2935 0.1595 -0.3992 C 0 0 0
- -0.8645 -0.4784 -0.3843 C 0 0 0
- -2.5066 -2.1564 0.1288 C 0 0 0
- -3.7373 0.9178 0.6883 C 0 0 0
- -3.8665 0.3482 -1.6564 C 0 0 0
- 0.1268 -1.4554 -0.2020 C 0 0 0
- -0.5191 0.8200 -0.7237 N 0 0 0
- -1.4626 -3.0666 0.2915 C 0 0 0
- -3.9357 -2.5923 0.3256 C 0 0 0
- -4.7497 1.8506 0.5110 C 0 0 0
- -3.1794 0.7418 1.9154 O 0 0 0
- -4.8720 1.2770 -1.8248 C 0 0 0
- 1.5531 -1.0938 -0.3737 C 0 0 0
- -0.1998 -2.6955 0.1220 N 0 0 0
- -1.7672 -4.4655 0.6586 C 0 0 0
- -5.3181 2.0274 -0.7454 C 0 0 0
- -5.1859 2.5912 1.5662 O 0 0 0
- 2.0201 0.0099 0.1971 N 0 0 0
- 2.3850 -1.9220 -1.1281 C 0 0 0
- -1.6884 -4.8566 1.9454 O 0 0 0
- -2.0884 -5.2625 -0.1998 O 0 0 0
- -6.3101 2.9410 -0.9184 O 0 0 0
- -4.5404 3.8627 1.4734 C 0 0 0
- 3.2845 0.3723 0.0715 C 0 0 0
- 3.7184 -1.5804 -1.2864 C 0 0 0
- -6.6824 2.8904 -2.2971 C 0 0 0
- 4.1769 -0.4114 -0.6786 C 0 0 0
- 3.7812 1.6133 0.7206 C 0 0 0
- 5.5889 0.0072 -0.8106 C 0 0 0
- 5.1950 2.0030 0.5697 C 0 0 0
- 3.0251 2.3040 1.3737 O 0 0 0
- 6.0514 1.2408 -0.1565 C 0 0 0
- 6.3661 -0.6671 -1.4581 O 0 0 0
- 5.6556 3.1629 1.1775 N 0 0 0
- 7.3488 1.6207 -0.2803 O 0 0 0
- 8.1137 0.7599 0.5658 C 0 0 0
- -4.3670 -0.5023 0.0000 H 0 0 0
- 0.4336 1.0771 0.0000 H 0 0 0
- -1.2181 1.5165 0.0000 H 0 0 0
- -4.2236 -1.6484 0.0000 H 0 0 0
- -4.8796 -2.8802 0.0000 H 0 0 0
- -3.6478 -3.5362 0.0000 H 0 0 0
- -2.2383 0.4449 0.0000 H 0 0 0
- -5.6389 0.6560 0.0000 H 0 0 0
- 2.1254 -2.8741 0.0000 H 0 0 0
- -1.4935 -5.8240 0.0000 H 0 0 0
- -3.6605 3.4160 0.0000 H 0 0 0
- -4.0937 4.7426 0.0000 H 0 0 0
- -5.4203 4.3094 0.0000 H 0 0 0
- 4.3720 -2.3197 0.0000 H 0 0 0
- -6.8153 3.8682 0.0000 H 0 0 0
- -7.6602 2.7575 0.0000 H 0 0 0
- -6.5495 1.9126 0.0000 H 0 0 0
- 6.6320 3.3061 0.0000 H 0 0 0
- 5.0434 3.9369 0.0000 H 0 0 0
- 7.3760 0.1044 0.0000 H 0 0 0
- 8.7692 0.0222 0.0000 H 0 0 0
- 8.8514 1.4154 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 2 0
- 9 16 1 0
- 11 17 2 0
- 11 18 1 0
- 14 19 2 0
- 14 20 1 0
- 16 21 1 0
- 16 22 2 0
- 17 23 1 0
- 18 24 1 0
- 19 25 1 0
- 20 26 2 0
- 23 27 1 0
- 25 28 2 0
- 25 29 1 0
- 28 30 1 0
- 29 31 1 0
- 29 32 2 0
- 30 33 1 0
- 30 34 2 0
- 31 35 1 0
- 33 36 1 0
- 36 37 1 0
- 9 15 1 0
- 13 17 1 0
- 26 28 1 0
- 31 33 2 0
- 6 38 1 0
- 8 39 1 0
- 8 40 1 0
- 10 41 1 0
- 10 42 1 0
- 10 43 1 0
- 12 44 1 0
- 13 45 1 0
- 20 46 1 0
- 21 47 1 0
- 24 48 1 0
- 24 49 1 0
- 24 50 1 0
- 26 51 1 0
- 27 52 1 0
- 27 53 1 0
- 27 54 1 0
- 35 55 1 0
- 35 56 1 0
- 37 57 1 0
- 37 58 1 0
- 37 59 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4430-25-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.0720 1.2367 -1.8788 Br 0 0 0
- 1.3159 0.4608 -0.6844 C 0 0 0
- 0.8890 -0.0133 0.5461 C 0 0 0
- 2.6479 0.3630 -1.0436 C 0 0 0
- -0.4753 -0.0595 1.1805 C 0 0 0
- 1.8272 -0.5746 1.4037 C 0 0 0
- 3.2154 1.0128 -2.7264 Br 0 0 0
- 3.5687 -0.2060 -0.1819 C 0 0 0
- -0.4057 -0.2149 2.6048 O 0 0 0
- -1.2061 1.2196 0.8630 C 0 0 0
- -1.2462 -1.2166 0.5992 C 0 0 0
- 0.8895 -1.0192 2.8391 S 0 0 0
- 3.1487 -0.6765 1.0544 C 0 0 0
- 5.3866 -0.3411 -0.6847 Br 0 0 0
- -2.3548 1.1853 0.0947 C 0 0 0
- -0.7296 2.4247 1.3455 C 0 0 0
- -2.2339 -1.8319 1.3454 C 0 0 0
- -0.9682 -1.6571 -0.6817 C 0 0 0
- 0.5483 -2.3909 2.6932 O 0 0 0
- 1.5447 -0.4271 3.9524 O 0 0 0
- 4.3903 -1.4602 2.2461 Br 0 0 0
- -3.0276 2.3573 -0.1977 C 0 0 0
- -1.3981 3.5993 1.0563 C 0 0 0
- -2.9432 -2.8933 0.8145 C 0 0 0
- -1.6741 -2.7178 -1.2175 C 0 0 0
- -4.5985 2.3095 -1.2493 Br 0 0 0
- -2.5488 3.5685 0.2807 C 0 0 0
- -0.7453 5.2469 1.7161 Br 0 0 0
- -4.2937 -3.7348 1.8362 Br 0 0 0
- -2.6627 -3.3409 -0.4686 C 0 0 0
- -1.2927 -3.3199 -2.9691 Br 0 0 0
- -3.2082 4.7223 -0.0053 O 0 0 0
- -3.3584 -4.3843 -0.9931 O 0 0 0
- -2.8257 0.3433 0.0000 H 0 0 0
- 0.2327 2.4926 0.0000 H 0 0 0
- -2.9050 -1.1390 0.0000 H 0 0 0
- -0.0036 -1.6688 0.0000 H 0 0 0
- -3.6869 5.5598 0.0000 H 0 0 0
- -3.8936 -5.1869 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 1 0
- 11 5 1 0
- 12 6 1 0
- 13 6 2 0
- 14 8 1 0
- 15 10 2 0
- 16 10 1 0
- 17 11 2 0
- 18 11 1 0
- 19 12 2 0
- 20 12 2 0
- 21 13 1 0
- 22 15 1 0
- 23 16 2 0
- 24 17 1 0
- 25 18 2 0
- 26 22 1 0
- 27 22 2 0
- 28 23 1 0
- 29 24 1 0
- 30 24 2 0
- 31 25 1 0
- 32 27 1 0
- 33 30 1 0
- 9 12 1 0
- 8 13 1 0
- 23 27 1 0
- 25 30 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 32 38 1 0
- 33 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-609-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.0004 -0.4712 -0.0019 C 0 0 0
- -1.1992 0.2210 -0.0009 C 0 0 0
- 1.1996 0.2200 -0.0012 C 0 0 0
- -0.0012 -2.2072 0.0033 Cl 0 0 0
- -1.2000 1.6038 0.0002 C 0 0 0
- -2.7024 -0.6475 -0.0018 Cl 0 0 0
- 1.2018 1.6024 0.0004 C 0 0 0
- 2.7019 -0.6500 -0.0018 Cl 0 0 0
- 0.0011 2.2973 0.0008 C 0 0 0
- 0.0018 3.6565 0.0024 O 0 0 0
- -2.1003 2.1232 0.0000 H 0 0 0
- 2.1026 2.1209 0.0000 H 0 0 0
- 0.0023 4.6959 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75586-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.1285 0.9251 -0.3240 C 0 0 0
- -2.8051 -0.2110 0.3098 C 0 0 0
- -0.8229 0.7741 -0.7993 C 0 0 0
- -2.8093 2.1531 -0.4363 C 0 0 0
- -2.1905 -1.3818 0.4369 N 0 3 0
- -4.1241 -0.0317 0.7820 C 0 0 0
- -0.2136 -0.4733 -0.6457 C 0 0 0
- -4.0815 2.2616 0.0455 C 0 0 0
- -0.9503 -1.5654 -0.0019 C 0 0 0
- -2.8962 -2.4954 1.0757 C 0 0 0
- -4.7315 1.1726 0.6419 C 0 0 0
- 1.1008 -0.7074 -1.0986 C 0 0 0
- -4.7534 3.4804 -0.0674 N 0 0 0
- -0.3092 -2.8151 0.1399 C 0 0 0
- 1.6572 -1.9351 -0.9306 C 0 0 0
- 0.9590 -2.9754 -0.3173 C 0 0 0
- 10.2502 1.1773 0.3821 Cl 0 0 0
- -0.2501 1.5837 0.0000 H 0 0 0
- -2.2701 2.9854 0.0000 H 0 0 0
- -4.6998 -0.8392 0.0000 H 0 0 0
- -3.7339 -1.9645 0.0000 H 0 0 0
- -3.4271 -3.3331 0.0000 H 0 0 0
- -2.0585 -3.0263 0.0000 H 0 0 0
- -5.7226 1.2078 0.0000 H 0 0 0
- 1.7095 0.0756 0.0000 H 0 0 0
- -4.2406 4.3293 0.0000 H 0 0 0
- -5.7449 3.5000 0.0000 H 0 0 0
- -0.8784 -3.6273 0.0000 H 0 0 0
- 2.6455 -2.0171 0.0000 H 0 0 0
- 1.3697 -3.8781 0.0000 H 0 0 0
- 11.2419 1.1773 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 9 1 0
- 8 11 1 0
- 15 16 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-69177-41-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-197202 1 V2000
- -6.3470 0.0896 -0.8518 C 0 0 1
- -5.1449 -0.6214 -0.2272 C 0 0 2
- -5.9226 1.3272 -1.4266 O 0 0 0
- -6.9453 -0.7835 -1.9246 C 0 0 0
- -5.6060 -1.7905 0.5256 N 0 0 0
- -4.4293 0.3245 0.7025 C 0 0 0
- -7.0938 1.9702 -1.9336 C 0 0 1
- -8.1897 -0.6778 -2.4283 C 0 0 0
- -6.3296 -1.7983 -2.5492 N 0 0 0
- -5.7103 -2.9872 -0.0854 C 0 0 0
- -3.3889 1.0535 0.2524 N 0 0 0
- -4.7896 0.4297 1.8558 O 0 0 0
- -7.0569 3.4566 -1.5713 C 0 0 1
- -7.1430 1.8195 -3.3511 O 0 0 0
- -8.3189 -1.6591 -3.3739 N 0 0 0
- -7.1469 -2.3286 -3.4174 C 0 0 0
- -6.1776 -4.1718 0.6774 C 0 0 0
- -5.4220 -3.0965 -1.2604 O 0 0 0
- -2.3855 1.5569 1.1937 C 0 0 1
- -7.0306 3.5999 -0.1497 O 0 0 0
- -5.7945 4.0858 -2.1716 C 0 0 2
- -5.8951 2.2681 -3.8763 C 0 0 2
- -7.4733 -4.4846 0.7153 N 0 0 0
- -5.2703 -4.9756 1.3585 C 0 0 0
- -1.0430 1.7080 0.4755 C 0 0 2
- -2.8306 2.9172 1.7344 C 0 0 0
- -7.5467 4.8996 0.1441 C 0 0 2
- -5.7600 3.7789 -3.6730 C 0 0 1
- -4.6389 3.5261 -1.5444 O 0 0 0
- -5.8254 1.9464 -5.3705 C 0 0 0
- -7.8965 -5.5322 1.3886 C 0 0 0
- -5.7636 -6.0797 2.0618 C 0 0 0
- -3.7956 -4.6655 1.3401 C 0 0 0
- -0.0001 2.2533 1.4533 C 0 0 2
- -1.1883 2.6139 -0.6200 O 0 0 0
- -7.2405 5.2527 1.6013 C 0 0 2
- -8.9568 4.9107 -0.0697 O 0 0 0
- -6.8456 4.4455 -4.3205 O 0 0 0
- -5.6007 0.5461 -5.5462 O 0 0 0
- -9.3706 -5.8453 1.4018 C 0 0 1
- -7.0704 -6.3168 2.0527 N 0 0 0
- -4.9026 -6.9127 2.7569 N 0 0 0
- 1.1278 2.8886 0.6819 C 0 0 0
- 0.5474 1.1073 2.3064 C 0 0 0
- -7.8794 4.2005 2.5149 C 0 0 2
- -7.7838 6.5393 1.9040 O 0 0 0
- -9.5139 3.8251 0.6688 C 0 0 1
- -9.5927 -7.1806 0.8313 N 0 0 0
- -9.8856 -5.8141 2.8422 C 0 0 0
- 1.9679 3.7438 1.2980 N 0 0 0
- 1.2797 2.6304 -0.4934 O 0 0 0
- -9.3687 4.0901 2.1690 C 0 0 1
- -7.7334 4.6097 3.9004 O 0 0 0
- -10.9958 3.6769 0.3181 C 0 0 0
- -10.6820 -7.0467 -0.1451 C 0 0 0
- -9.6131 -4.4595 3.4438 C 0 0 0
- 2.9941 4.4473 0.5247 C 0 0 2
- -9.9491 3.0094 2.9020 O 0 0 0
- -7.5672 3.6823 4.8622 C 0 0 0
- -11.1327 3.4532 -1.0866 O 0 0 0
- -10.9670 -8.4086 -0.7813 C 0 0 1
- -9.8817 -4.2336 4.7451 N 0 0 0
- -9.1522 -3.5725 2.7569 O 0 0 0
- 4.2891 3.6795 0.5931 C 0 0 0
- 3.2002 5.8475 1.1059 C 0 0 1
- -7.3275 4.0642 6.1323 N 0 0 0
- -7.6335 2.5011 4.5852 O 0 0 0
- -12.0844 -8.2712 -1.7830 C 0 0 0
- -9.7581 -8.8946 -1.4600 N 0 0 0
- 5.3808 4.1409 -0.0486 N 0 0 0
- 4.3488 2.6463 1.2255 O 0 0 0
- 2.0321 6.7467 0.6961 C 0 0 0
- 3.2623 5.7672 2.5312 O 0 0 0
- -13.3636 -8.4382 -1.3927 N 0 0 0
- -11.8327 -8.0102 -2.9404 O 0 0 0
- 6.6396 3.3944 0.0179 C 0 0 0
- 7.7114 4.1292 -0.7897 C 0 0 0
- 9.0064 3.3613 -0.7213 C 0 0 0
- 9.4429 2.4177 -1.5180 N 0 0 0
- 10.2982 3.5102 0.4289 S 0 0 0
- 10.6165 1.8340 -1.3217 C 0 0 0
- 11.3677 2.2517 -0.2529 C 0 0 0
- 11.1005 0.7699 -2.2257 C 0 0 0
- 12.2308 0.0875 -2.1805 N 0 0 0
- 10.3077 0.0635 -3.6614 S 0 0 0
- 12.4807 -0.8379 -3.0970 C 0 0 0
- 11.5529 -1.0723 -4.0799 C 0 0 0
- 13.7367 -1.6059 -3.0584 C 0 0 0
- 14.6410 -1.3703 -2.0873 N 0 0 0
- 13.9579 -2.4528 -3.9030 O 0 0 0
- 15.8905 -2.1343 -2.0489 C 0 0 0
- 16.7328 -1.6748 -0.8572 C 0 0 0
- 18.0377 -2.4727 -0.8171 C 0 0 0
- 18.8464 -2.0315 0.3271 N 0 0 0
- 20.0777 -2.8324 0.3076 C 0 0 0
- 20.9716 -2.4221 1.4796 C 0 0 0
- 22.2540 -3.2563 1.4592 C 0 0 0
- 23.1122 -2.8624 2.5846 N 0 0 0
- 24.3192 -3.6962 2.5070 C 0 0 0
- 25.2624 -3.3362 3.6566 C 0 0 0
- 26.5195 -4.2047 3.5758 C 0 0 0
- 27.4627 -3.8447 4.7254 C 0 0 0
- -7.1691 0.5026 0.0000 H 0 0 0
- -4.3427 -1.0719 0.0000 H 0 0 0
- -6.5015 -1.5796 0.0000 H 0 0 0
- -8.0005 2.1260 0.0000 H 0 0 0
- -8.7665 0.0390 0.0000 H 0 0 0
- -3.8604 1.8435 0.0000 H 0 0 0
- -7.9720 3.5513 0.0000 H 0 0 0
- -9.1431 -2.0679 0.0000 H 0 0 0
- -7.1209 -3.2483 0.0000 H 0 0 0
- -2.1237 0.6749 0.0000 H 0 0 0
- -5.7997 5.0058 0.0000 H 0 0 0
- -4.9769 2.3252 0.0000 H 0 0 0
- -0.7738 0.8282 0.0000 H 0 0 0
- -1.9562 3.2033 0.0000 H 0 0 0
- -3.1167 3.7916 0.0000 H 0 0 0
- -3.7050 2.6311 0.0000 H 0 0 0
- -7.9254 5.7380 0.0000 H 0 0 0
- -4.8400 3.7894 0.0000 H 0 0 0
- -3.8109 3.1251 0.0000 H 0 0 0
- -4.9600 1.6340 0.0000 H 0 0 0
- -5.1330 2.5523 0.0000 H 0 0 0
- -3.6063 -5.5658 0.0000 H 0 0 0
- -2.8953 -4.4762 0.0000 H 0 0 0
- -3.9849 -3.7652 0.0000 H 0 0 0
- -0.4391 3.0619 0.0000 H 0 0 0
- -1.3340 3.5223 0.0000 H 0 0 0
- -6.3229 5.1855 0.0000 H 0 0 0
- -7.6296 4.9269 0.0000 H 0 0 0
- -5.4549 -0.3623 0.0000 H 0 0 0
- -9.4390 -4.9278 0.0000 H 0 0 0
- -5.1260 -7.8052 0.0000 H 0 0 0
- -4.0180 -6.6599 0.0000 H 0 0 0
- -0.2827 0.7107 0.0000 H 0 0 0
- 0.9440 0.2772 0.0000 H 0 0 0
- 1.3775 1.5039 0.0000 H 0 0 0
- -7.3989 3.4159 0.0000 H 0 0 0
- -8.1417 7.3869 0.0000 H 0 0 0
- -9.0062 3.0579 0.0000 H 0 0 0
- -9.0419 -7.9175 0.0000 H 0 0 0
- -10.7949 -5.6743 0.0000 H 0 0 0
- -9.9834 -6.7289 0.0000 H 0 0 0
- 1.3769 4.4489 0.0000 H 0 0 0
- -9.8665 4.8638 0.0000 H 0 0 0
- -10.8888 4.5907 0.0000 H 0 0 0
- -11.8653 3.9775 0.0000 H 0 0 0
- -10.5442 -6.1371 0.0000 H 0 0 0
- -11.5874 -6.8835 0.0000 H 0 0 0
- 2.2136 4.9344 0.0000 H 0 0 0
- -10.3844 2.1989 0.0000 H 0 0 0
- -11.6129 2.6685 0.0000 H 0 0 0
- -11.1967 -9.2995 0.0000 H 0 0 0
- -9.7209 -3.3277 0.0000 H 0 0 0
- -10.7466 -4.5473 0.0000 H 0 0 0
- 3.8500 6.4988 0.0000 H 0 0 0
- -6.4081 4.0303 0.0000 H 0 0 0
- -7.7578 4.8774 0.0000 H 0 0 0
- -9.6285 -9.8054 0.0000 H 0 0 0
- -9.0341 -8.3269 0.0000 H 0 0 0
- 5.4430 5.0588 0.0000 H 0 0 0
- 2.5933 7.4757 0.0000 H 0 0 0
- 1.3031 7.3079 0.0000 H 0 0 0
- 1.4709 6.0177 0.0000 H 0 0 0
- 3.8251 5.0394 0.0000 H 0 0 0
- -13.9229 -7.7077 0.0000 H 0 0 0
- -13.7166 -9.2878 0.0000 H 0 0 0
- 6.0610 2.6791 0.0000 H 0 0 0
- 7.2639 2.7186 0.0000 H 0 0 0
- 8.2900 4.8445 0.0000 H 0 0 0
- 7.0871 4.8050 0.0000 H 0 0 0
- 12.2729 2.0875 0.0000 H 0 0 0
- 11.3288 -1.9646 0.0000 H 0 0 0
- 14.7757 -0.4602 0.0000 H 0 0 0
- 15.2818 -2.8242 0.0000 H 0 0 0
- 16.4644 -2.8534 0.0000 H 0 0 0
- 17.3415 -0.9849 0.0000 H 0 0 0
- 16.1589 -0.9557 0.0000 H 0 0 0
- 17.4290 -3.1626 0.0000 H 0 0 0
- 18.6116 -3.1918 0.0000 H 0 0 0
- 18.8819 -1.1122 0.0000 H 0 0 0
- 19.4408 -3.4963 0.0000 H 0 0 0
- 20.6109 -3.5821 0.0000 H 0 0 0
- 21.6085 -1.7582 0.0000 H 0 0 0
- 20.4384 -1.6724 0.0000 H 0 0 0
- 21.6171 -3.9202 0.0000 H 0 0 0
- 22.7872 -4.0060 0.0000 H 0 0 0
- 23.1922 -1.9459 0.0000 H 0 0 0
- 23.6560 -4.3338 0.0000 H 0 0 0
- 24.8119 -4.4732 0.0000 H 0 0 0
- 25.9256 -2.6986 0.0000 H 0 0 0
- 24.7697 -2.5592 0.0000 H 0 0 0
- 25.8563 -4.8423 0.0000 H 0 0 0
- 27.0122 -4.9817 0.0000 H 0 0 0
- 27.7908 -4.7042 0.0000 H 0 0 0
- 28.3222 -3.5166 0.0000 H 0 0 0
- 27.1346 -2.9852 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 2 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 17 23 1 0
- 17 24 2 0
- 19 25 1 0
- 19 26 1 0
- 27 20 1 0
- 21 28 1 0
- 21 29 1 0
- 22 30 1 0
- 23 31 2 0
- 24 32 1 0
- 24 33 1 0
- 25 34 1 0
- 25 35 1 0
- 27 36 1 0
- 27 37 1 0
- 28 38 1 0
- 30 39 1 0
- 31 40 1 0
- 31 41 1 0
- 32 42 1 0
- 34 43 1 0
- 34 44 1 0
- 36 45 1 0
- 36 46 1 0
- 37 47 1 0
- 40 48 1 0
- 40 49 1 0
- 43 50 1 0
- 43 51 2 0
- 45 52 1 0
- 45 53 1 0
- 47 54 1 0
- 48 55 1 0
- 49 56 1 0
- 57 50 1 0
- 52 58 1 0
- 53 59 1 0
- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 56 63 2 0
- 57 64 1 0
- 57 65 1 0
- 59 66 1 0
- 59 67 2 0
- 61 68 1 0
- 61 69 1 0
- 64 70 1 0
- 64 71 2 0
- 65 72 1 0
- 65 73 1 0
- 68 74 1 0
- 68 75 2 0
- 70 76 1 0
- 76 77 1 0
- 77 78 1 0
- 78 79 2 0
- 78 80 1 0
- 79 81 1 0
- 80 82 1 0
- 81 83 1 0
- 83 84 2 0
- 83 85 1 0
- 84 86 1 0
- 85 87 1 0
- 86 88 1 0
- 88 89 1 0
- 88 90 2 0
- 89 91 1 0
- 91 92 1 0
- 92 93 1 0
- 93 94 1 0
- 94 95 1 0
- 95 96 1 0
- 96 97 1 0
- 97 98 1 0
- 98 99 1 0
- 99100 1 0
-100101 1 0
-101102 1 0
- 15 16 1 0
- 22 28 1 0
- 32 41 2 0
- 47 52 1 0
- 81 82 2 0
- 86 87 2 0
- 1103 1 0
- 2104 1 0
- 5105 1 0
- 7106 1 0
- 8107 1 0
- 11108 1 0
- 13109 1 0
- 15110 1 0
- 16111 1 0
- 19112 1 0
- 21113 1 0
- 22114 1 0
- 25115 1 0
- 26116 1 0
- 26117 1 0
- 26118 1 0
- 27119 1 0
- 28120 1 0
- 29121 1 0
- 30122 1 0
- 30123 1 0
- 33124 1 0
- 33125 1 0
- 33126 1 0
- 34127 1 0
- 35128 1 0
- 36129 1 0
- 38130 1 0
- 39131 1 0
- 40132 1 0
- 42133 1 0
- 42134 1 0
- 44135 1 0
- 44136 1 0
- 44137 1 0
- 45138 1 0
- 46139 1 0
- 47140 1 0
- 48141 1 0
- 49142 1 0
- 49143 1 0
- 50144 1 0
- 52145 1 0
- 54146 1 0
- 54147 1 0
- 55148 1 0
- 55149 1 0
- 57150 1 0
- 58151 1 0
- 60152 1 0
- 61153 1 0
- 62154 1 0
- 62155 1 0
- 65156 1 0
- 66157 1 0
- 66158 1 0
- 69159 1 0
- 69160 1 0
- 70161 1 0
- 72162 1 0
- 72163 1 0
- 72164 1 0
- 73165 1 0
- 74166 1 0
- 74167 1 0
- 76168 1 0
- 76169 1 0
- 77170 1 0
- 77171 1 0
- 82172 1 0
- 87173 1 0
- 89174 1 0
- 91175 1 0
- 91176 1 0
- 92177 1 0
- 92178 1 0
- 93179 1 0
- 93180 1 0
- 94181 1 0
- 95182 1 0
- 95183 1 0
- 96184 1 0
- 96185 1 0
- 97186 1 0
- 97187 1 0
- 98188 1 0
- 99189 1 0
- 99190 1 0
-100191 1 0
-100192 1 0
-101193 1 0
-101194 1 0
-102195 1 0
-102196 1 0
-102197 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4792-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- 1.7863 0.2366 0.1396 C 0 0 0
- 0.4003 0.4109 0.2222 N 0 0 0
- 2.3237 -1.0429 0.0852 C 0 0 0
- 2.6248 1.3427 0.1063 C 0 0 0
- -0.4530 -0.6939 0.1035 N 0 3 0
- 3.6915 -1.2140 0.0032 C 0 0 0
- 3.9928 1.1697 0.0242 C 0 0 0
- -1.7583 -0.5161 0.0518 C 0 0 0
- 0.0111 -1.8187 0.0479 O 0 5 0
- 4.5288 -0.1084 -0.0248 C 0 0 0
- -2.6604 -1.6771 -0.0732 C 0 0 0
- -2.3249 0.8446 0.1250 C 0 0 0
- 5.8758 -0.2778 -0.1051 O 0 0 0
- -3.9949 -1.4870 -0.1250 C 0 0 0
- -3.6613 1.0182 0.0719 C 0 0 0
- 6.4564 1.0279 -0.1148 C 0 0 0
- -4.5476 -0.1363 -0.0575 C 0 0 0
- 7.9791 0.9082 -0.2042 C 0 0 0
- -5.8773 0.0447 -0.1097 O 0 0 0
- -6.4306 1.3855 -0.0430 C 0 0 0
- -7.9568 1.3120 -0.1225 C 0 0 0
- 1.6947 -1.8723 0.0000 H 0 0 0
- 2.2212 2.3022 0.0000 H 0 0 0
- 4.0960 -2.1731 0.0000 H 0 0 0
- 4.6225 1.9985 0.0000 H 0 0 0
- -2.2701 -2.6421 0.0000 H 0 0 0
- -1.6927 1.6715 0.0000 H 0 0 0
- -4.6347 -2.3081 0.0000 H 0 0 0
- -4.0604 1.9796 0.0000 H 0 0 0
- 6.6548 2.0497 0.0000 H 0 0 0
- 5.4636 1.3406 0.0000 H 0 0 0
- 7.8975 -0.1295 0.0000 H 0 0 0
- 9.0168 0.8266 0.0000 H 0 0 0
- 8.0607 1.9459 0.0000 H 0 0 0
- -5.4294 1.6701 0.0000 H 0 0 0
- -6.5990 2.4127 0.0000 H 0 0 0
- -8.0069 2.3517 0.0000 H 0 0 0
- -8.9965 1.2619 0.0000 H 0 0 0
- -7.9067 0.2723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 7 10 2 0
- 15 17 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116505-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 1.4063 -0.3691 -0.1435 C 0 0 0
- 2.7193 -0.0232 -0.4790 N 0 0 0
- 0.7798 0.2451 0.9337 C 0 0 0
- 0.7265 -1.3230 -0.8913 C 0 0 0
- 3.0621 1.1456 -0.4713 O 0 0 0
- 3.6048 -0.9825 -0.8106 C 0 0 0
- -0.5160 -0.0963 1.2648 C 0 0 0
- -0.5689 -1.6644 -0.5604 C 0 0 0
- 3.7124 1.6456 0.5870 C 0 0 0
- 4.2002 -1.0126 -2.1947 C 0 0 0
- 3.9231 -1.8227 0.0053 O 0 0 0
- -1.1938 -1.0541 0.5208 C 0 0 0
- 4.1364 3.0917 0.5966 C 0 0 0
- 3.9600 0.9350 1.5377 O 0 0 0
- -2.8477 -1.4903 0.9437 S 0 0 0
- -3.7205 -0.1734 0.1634 C 0 0 0
- -5.0876 -0.0269 0.3668 C 0 0 0
- -3.0426 0.7245 -0.6521 C 0 0 0
- -5.7681 1.0064 -0.2457 C 0 0 0
- -3.7298 1.7557 -1.2616 C 0 0 0
- -5.0909 1.8953 -1.0612 C 0 0 0
- 1.0156 1.1351 0.0000 H 0 0 0
- 1.2499 -2.0805 0.0000 H 0 0 0
- -1.0406 0.6603 0.0000 H 0 0 0
- -0.8038 -2.5547 0.0000 H 0 0 0
- 4.1537 -1.9322 0.0000 H 0 0 0
- 5.1198 -1.0591 0.0000 H 0 0 0
- 4.2467 -0.0930 0.0000 H 0 0 0
- 5.0199 2.8326 0.0000 H 0 0 0
- 4.3955 3.9752 0.0000 H 0 0 0
- 3.2529 3.3508 0.0000 H 0 0 0
- -5.5670 -0.8130 0.0000 H 0 0 0
- -2.1223 0.6974 0.0000 H 0 0 0
- -6.6883 1.0380 0.0000 H 0 0 0
- -3.2544 2.5442 0.0000 H 0 0 0
- -5.4569 2.7402 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 1 0
- 9 14 2 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 8 12 1 0
- 20 21 2 0
- 3 22 1 0
- 4 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 13 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96910-73-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- 1.3045 0.9557 -0.1949 C 0 0 2
- 0.8383 -0.4688 -0.5878 C 0 0 2
- 2.5399 0.6979 0.6997 C 0 0 0
- 0.2214 1.6072 0.6638 C 0 0 2
- -0.1407 -1.0689 0.3529 C 0 0 0
- 2.1186 -1.3115 -0.6711 C 0 0 0
- 0.2529 -0.4171 -1.8904 O 0 0 0
- 3.2076 -0.5577 0.1091 C 0 0 0
- -1.0607 1.6331 -0.0947 C 0 0 0
- 0.6377 3.0380 1.0108 C 0 0 0
- -1.4042 -0.6295 0.5030 C 0 0 0
- 4.3422 -0.1529 -0.8341 C 0 0 0
- 3.7523 -1.4397 1.2345 C 0 0 0
- -1.8521 0.5863 -0.2660 C 0 0 0
- -2.3332 -1.3254 1.4043 C 0 0 0
- -3.0476 0.6075 -1.1203 C 0 0 0
- -3.4698 -0.9220 1.5330 O 0 0 0
- -3.7300 -0.3887 -1.2333 O 0 0 0
- 1.6505 1.8383 0.0000 H 0 0 0
- 3.4567 0.9391 0.0000 H 0 0 0
- 2.5155 1.6455 0.0000 H 0 0 0
- -0.0414 0.6964 0.0000 H 0 0 0
- -0.0389 -2.0114 0.0000 H 0 0 0
- 1.5008 -2.0305 0.0000 H 0 0 0
- 2.7530 -2.0159 0.0000 H 0 0 0
- -0.6914 -0.3337 0.0000 H 0 0 0
- -1.4744 2.4860 0.0000 H 0 0 0
- 1.5479 2.7732 0.0000 H 0 0 0
- 0.9025 3.9482 0.0000 H 0 0 0
- -0.2725 3.3028 0.0000 H 0 0 0
- 4.6607 -1.0457 0.0000 H 0 0 0
- 5.2350 0.1656 0.0000 H 0 0 0
- 4.0237 0.7399 0.0000 H 0 0 0
- 2.9458 -1.9378 0.0000 H 0 0 0
- 4.2504 -2.2462 0.0000 H 0 0 0
- 4.5588 -0.9416 0.0000 H 0 0 0
- -2.1907 -2.2626 0.0000 H 0 0 0
- -3.4822 1.4500 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 8 12 1 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 6 8 1 0
- 11 14 1 0
- 1 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
- 12 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 13 36 1 0
- 15 37 1 0
- 16 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.3860 0.0009 -0.0017 C 0 0 0
- -2.8691 0.0009 -0.0019 C 0 0 0
- -0.6886 1.2087 0.0006 C 0 0 0
- -0.6889 -1.2066 0.0021 C 0 0 0
- -3.5684 -0.9248 -0.7741 C 0 0 0
- -3.5689 0.9231 0.7746 C 0 0 0
- 0.6887 1.2087 0.0014 C 0 0 0
- 0.6888 -1.2066 0.0028 C 0 0 0
- -4.9487 -0.9205 -0.7701 C 0 0 0
- -4.9487 0.9182 0.7708 C 0 0 0
- 1.3860 0.0009 -0.0002 C 0 0 0
- -5.6377 0.0003 -0.0017 C 0 0 0
- 2.8691 0.0009 0.0006 C 0 0 0
- 3.5681 -0.9275 0.7698 C 0 0 0
- 3.5692 0.9257 -0.7726 C 0 0 0
- 4.9484 -0.9231 0.7663 C 0 0 0
- 4.9490 0.9208 -0.7684 C 0 0 0
- 5.6377 0.0002 0.0013 C 0 0 0
- -1.2056 2.1042 0.0000 H 0 0 0
- -1.2059 -2.1021 0.0000 H 0 0 0
- -3.1090 -1.8512 0.0000 H 0 0 0
- -3.1107 1.8501 0.0000 H 0 0 0
- 1.2057 2.1042 0.0000 H 0 0 0
- 1.2058 -2.1021 0.0000 H 0 0 0
- -5.4131 -1.8444 0.0000 H 0 0 0
- -5.4126 1.8424 0.0000 H 0 0 0
- -6.6718 0.0011 0.0000 H 0 0 0
- 3.1080 -1.8536 0.0000 H 0 0 0
- 3.1105 1.8524 0.0000 H 0 0 0
- 5.4133 -1.8467 0.0000 H 0 0 0
- 5.4137 1.8446 0.0000 H 0 0 0
- 6.6718 0.0007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 11 2 0
- 10 12 1 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-32-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.3106 -0.2137 -0.0014 C 0 0 0
- -1.6888 0.0636 -0.0012 C 0 0 0
- 0.6156 0.8449 0.0000 C 0 0 0
- 0.1506 -1.6027 0.0030 C 0 0 0
- -2.1273 1.4079 0.0005 C 0 0 0
- -2.6252 -0.9945 -0.0022 C 0 0 0
- 2.0408 0.5218 -0.0003 C 0 0 0
- 0.1551 2.1749 0.0021 C 0 0 0
- 1.5087 -1.8756 0.0023 C 0 0 0
- -0.8443 -2.6754 0.0075 C 0 0 0
- -1.1734 2.4501 0.0015 C 0 0 0
- -3.5022 1.6720 0.0007 C 0 0 0
- -2.1625 -2.3796 -0.0040 C 0 0 0
- -3.9878 -0.6884 -0.0020 C 0 0 0
- 2.4517 -0.8353 -0.0019 C 0 0 0
- 3.0062 1.5362 0.0006 C 0 0 0
- -4.4058 0.6300 -0.0007 C 0 0 0
- 3.8298 -1.1303 -0.0026 C 0 0 0
- 4.3303 1.2127 -0.0001 C 0 0 0
- 4.7393 -0.1187 -0.0017 C 0 0 0
- 0.8506 2.9665 0.0000 H 0 0 0
- 1.8382 -2.8765 0.0000 H 0 0 0
- -0.5318 -3.6817 0.0000 H 0 0 0
- -1.4975 3.4527 0.0000 H 0 0 0
- -3.8470 2.6677 0.0000 H 0 0 0
- -2.8688 -3.1616 0.0000 H 0 0 0
- -4.7002 -1.4648 0.0000 H 0 0 0
- 2.7097 2.5473 0.0000 H 0 0 0
- -5.4377 0.8431 0.0000 H 0 0 0
- 4.1551 -2.1326 0.0000 H 0 0 0
- 5.0533 1.9792 0.0000 H 0 0 0
- 5.7683 -0.3457 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 1 0
- 14 17 2 0
- 19 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-13-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- 1.2229 0.7808 0.0025 C 0 0 0
- 0.2016 -0.2019 0.0018 C 0 0 0
- 0.8704 2.1410 0.0012 C 0 0 0
- 2.5688 0.3759 -0.0014 C 0 0 0
- -1.1447 0.2034 0.0003 C 0 0 0
- 0.5545 -1.5621 0.0022 C 0 0 0
- -0.4436 2.4967 -0.0007 C 0 0 0
- 2.8728 -0.9506 -0.0057 C 0 0 0
- -1.4482 1.5317 -0.0005 C 0 0 0
- -2.4131 -0.9818 -0.0011 Cl 0 0 0
- 1.8684 -1.9170 0.0032 C 0 0 0
- 1.6166 2.8792 0.0000 H 0 0 0
- 3.3354 1.0928 0.0000 H 0 0 0
- -0.1914 -2.3006 0.0000 H 0 0 0
- -0.7038 3.5136 0.0000 H 0 0 0
- 3.8787 -1.2504 0.0000 H 0 0 0
- -2.4539 1.8323 0.0000 H 0 0 0
- 2.1292 -2.9337 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-212-54-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.4161 0.0928 -0.0009 C 0 0 0
- -0.9096 0.5198 -0.0001 C 0 0 0
- 1.4442 1.0224 -0.0010 C 0 0 0
- 1.0401 -1.2811 0.0045 C 0 0 0
- -2.0226 -0.4352 -0.0005 C 0 0 0
- -1.2018 1.9034 0.0005 C 0 0 0
- 2.7493 0.3156 -0.0013 C 0 0 0
- 1.1430 2.3946 -0.0005 C 0 0 0
- 2.5326 -1.0596 0.0009 C 0 0 0
- -3.3448 0.0633 -0.0001 C 0 0 0
- -1.8023 -1.8136 -0.0007 C 0 0 0
- -0.1462 2.8276 0.0008 C 0 0 0
- -2.5470 2.3377 0.0013 C 0 0 0
- 4.0584 0.8017 -0.0009 C 0 0 0
- 3.5996 -1.9327 0.0027 C 0 0 0
- -3.5706 1.4594 0.0000 C 0 0 0
- -4.4161 -0.8413 -0.0004 C 0 0 0
- -2.8671 -2.6691 -0.0005 C 0 0 0
- 5.1199 -0.0790 -0.0004 C 0 0 0
- 4.8941 -1.4440 -0.0023 C 0 0 0
- -4.1692 -2.1829 -0.0010 C 0 0 0
- 0.0508 -1.6236 0.0000 H 0 0 0
- 1.2893 -2.2979 0.0000 H 0 0 0
- 1.9221 3.0939 0.0000 H 0 0 0
- -0.8254 -2.1900 0.0000 H 0 0 0
- -0.3517 3.8542 0.0000 H 0 0 0
- -2.7534 3.3641 0.0000 H 0 0 0
- 4.2340 1.8338 0.0000 H 0 0 0
- 3.4303 -2.9658 0.0000 H 0 0 0
- -4.5538 1.8190 0.0000 H 0 0 0
- -5.4018 -0.4884 0.0000 H 0 0 0
- -2.7006 -3.7027 0.0000 H 0 0 0
- 6.1008 0.2870 0.0000 H 0 0 0
- 5.7036 -2.1079 0.0000 H 0 0 0
- -4.9715 -2.8555 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 2 0
- 14 19 2 0
- 15 20 2 0
- 17 21 2 0
- 7 9 2 0
- 8 12 2 0
- 13 16 2 0
- 18 21 1 0
- 19 20 1 0
- 4 22 1 0
- 4 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26530-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 2.2713 0.0132 -0.3893 N 0 0 0
- 3.0082 -1.0021 0.1078 C 0 0 0
- 3.2018 1.3969 -0.0169 S 0 0 0
- 0.9847 -0.0551 -1.0867 C 0 0 0
- 4.2038 -0.6849 0.7260 C 0 0 0
- 2.6322 -2.1608 0.0152 O 0 0 0
- 4.5357 0.6323 0.7799 C 0 0 0
- -0.1531 0.0378 -0.0680 C 0 0 0
- -1.4967 -0.0336 -0.7963 C 0 0 0
- -2.6345 0.0593 0.2223 C 0 0 0
- -3.9782 -0.0121 -0.5060 C 0 0 0
- -5.1160 0.0809 0.5127 C 0 0 0
- -6.4596 0.0095 -0.2157 C 0 0 0
- -7.5974 0.1024 0.8030 C 0 0 0
- 0.4780 -0.8629 0.0000 H 0 0 0
- 1.4683 -0.8770 0.0000 H 0 0 0
- 4.8823 -1.3550 0.0000 H 0 0 0
- 5.4134 1.0052 0.0000 H 0 0 0
- 0.3536 0.8456 0.0000 H 0 0 0
- -0.6367 0.8597 0.0000 H 0 0 0
- -2.0034 -0.8414 0.0000 H 0 0 0
- -1.0131 -0.8555 0.0000 H 0 0 0
- -2.1278 0.8671 0.0000 H 0 0 0
- -3.1181 0.8812 0.0000 H 0 0 0
- -4.4850 -0.8199 0.0000 H 0 0 0
- -3.4946 -0.8340 0.0000 H 0 0 0
- -4.6092 0.8887 0.0000 H 0 0 0
- -5.5996 0.9028 0.0000 H 0 0 0
- -6.9663 -0.7983 0.0000 H 0 0 0
- -5.9760 -0.8124 0.0000 H 0 0 0
- -7.5198 1.0528 0.0000 H 0 0 0
- -8.5478 0.1800 0.0000 H 0 0 0
- -7.6750 -0.8480 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 5 7 2 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 14 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-321-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.7902 0.1269 0.0021 C 0 0 0
- -0.9170 -1.2690 0.0201 C 0 0 0
- 0.4825 0.7048 -0.0098 C 0 0 0
- -1.9919 0.9803 -0.0105 C 0 0 0
- 0.2204 -2.0628 0.0261 C 0 0 0
- -2.1470 -1.8412 0.0322 O 0 0 0
- 1.6023 -0.0994 -0.0036 C 0 0 0
- -1.8697 2.3178 0.0991 O 0 0 0
- -3.0928 0.4777 -0.1198 O 0 0 0
- 1.4717 -1.4797 0.0143 C 0 0 0
- 3.1825 0.6192 -0.0183 Cl 0 0 0
- 0.5845 1.7396 0.0000 H 0 0 0
- 0.1304 -3.0987 0.0000 H 0 0 0
- -3.0898 -2.2798 0.0000 H 0 0 0
- -1.7751 3.3533 0.0000 H 0 0 0
- 2.3213 -2.0792 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-70-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7206 0.7999 0.0018 C 0 0 0
- -1.1458 -0.5218 0.0004 C 0 0 0
- 0.6295 1.0910 0.0018 C 0 0 0
- -1.7323 1.9168 -0.0028 C 0 0 0
- -0.2135 -1.5512 -0.0011 C 0 0 0
- -2.5143 -0.8169 0.0009 N 0 0 0
- 1.5615 0.0619 0.0003 C 0 0 0
- 1.1362 -1.2602 -0.0012 C 0 0 0
- 2.9301 0.3570 -0.0002 N 0 0 0
- 0.9485 2.0826 0.0000 H 0 0 0
- -0.9603 2.6161 0.0000 H 0 0 0
- -2.4316 2.6888 0.0000 H 0 0 0
- -2.5043 1.2175 0.0000 H 0 0 0
- -0.5325 -2.5428 0.0000 H 0 0 0
- -3.2136 -0.0449 0.0000 H 0 0 0
- -2.8333 -1.8085 0.0000 H 0 0 0
- 1.8354 -2.0322 0.0000 H 0 0 0
- 3.6293 -0.4150 0.0000 H 0 0 0
- 3.2491 1.3486 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3397-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -1.1639 1.1498 0.0020 C 0 0 0
- -1.8296 0.0001 0.0011 N 0 0 0
- 0.1671 1.1465 0.0017 N 0 0 0
- -1.8516 2.3462 -0.0025 N 0 0 0
- -1.1638 -1.1499 -0.0002 C 0 0 0
- 0.8270 0.0000 0.0005 C 0 0 0
- 0.1668 -1.1466 -0.0004 N 0 0 0
- -1.8516 -2.3462 -0.0007 N 0 0 0
- 2.5630 0.0000 -0.0004 Cl 0 0 0
- -1.3510 3.2095 0.0000 H 0 0 0
- -2.8496 2.3481 0.0000 H 0 0 0
- -2.8496 -2.3480 0.0000 H 0 0 0
- -1.3511 -3.2095 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 4 10 1 0
- 4 11 1 0
- 8 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6358-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 2.7862 -0.5453 0.0859 C 0 0 0
- 1.7241 0.3226 -0.4214 C 0 0 0
- 4.1239 -0.0819 0.0515 C 0 0 0
- 2.5064 -1.8140 0.6064 C 0 0 0
- 0.4273 -0.0850 -0.4065 N 0 0 0
- 2.0718 1.5797 -0.9221 C 0 0 0
- 4.4025 1.1956 -0.4661 C 0 0 0
- 5.1493 -0.9108 0.5374 C 0 0 0
- 3.5257 -2.5924 1.0694 C 0 0 0
- -0.4875 0.6915 0.0671 N 0 0 0
- 3.4039 1.9902 -0.9343 C 0 0 0
- 1.1072 2.4058 -1.3997 O 0 0 0
- 4.8428 -2.1421 1.0321 C 0 0 0
- -1.7894 0.2823 0.0820 C 0 0 0
- -2.7872 1.1238 0.5962 C 0 0 0
- -2.1363 -0.9748 -0.4202 C 0 0 0
- -4.1058 0.7013 0.6072 C 0 0 0
- -2.4605 2.3496 1.0823 O 0 0 0
- -3.4580 -1.3823 -0.4021 C 0 0 0
- -4.4396 -0.5457 0.1134 C 0 0 0
- -3.6764 2.9554 1.5260 C 0 0 0
- -3.7973 -2.6050 -0.8908 O 0 0 0
- -5.2120 -2.7337 -0.7358 C 0 0 0
- 1.5871 -2.1504 0.0000 H 0 0 0
- 5.3248 1.5239 0.0000 H 0 0 0
- 6.0775 -0.5996 0.0000 H 0 0 0
- 3.3684 -3.5586 0.0000 H 0 0 0
- 3.5855 2.9522 0.0000 H 0 0 0
- 0.3637 3.0426 0.0000 H 0 0 0
- 5.5640 -2.8041 0.0000 H 0 0 0
- -1.4338 -1.6566 0.0000 H 0 0 0
- -4.8146 1.3765 0.0000 H 0 0 0
- -5.3743 -0.8366 0.0000 H 0 0 0
- -3.2398 3.8316 0.0000 H 0 0 0
- -4.5526 3.3920 0.0000 H 0 0 0
- -4.1130 2.0792 0.0000 H 0 0 0
- -5.3007 -1.7588 0.0000 H 0 0 0
- -6.1869 -2.8224 0.0000 H 0 0 0
- -5.1233 -3.7086 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 7 11 1 0
- 9 13 1 0
- 19 20 2 0
- 4 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 21 34 1 0
- 21 35 1 0
- 21 36 1 0
- 23 37 1 0
- 23 38 1 0
- 23 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-607-59-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 3.0013 -0.3240 -0.0009 C 0 0 0
- 1.9060 0.6445 -0.0005 C 0 0 0
- 4.3351 0.1524 -0.0007 C 0 0 0
- 2.7591 -1.7025 0.0042 C 0 0 0
- 0.6090 0.2279 -0.0003 N 0 0 0
- 2.2165 2.0002 0.0001 C 0 0 0
- 4.5742 1.5369 0.0004 C 0 0 0
- 5.3940 -0.7720 -0.0011 C 0 0 0
- 3.8098 -2.5713 0.0036 C 0 0 0
- -0.3468 1.0943 0.0001 N 0 0 0
- 3.5387 2.4210 0.0003 C 0 0 0
- 5.1227 -2.1063 -0.0016 C 0 0 0
- -1.6452 0.6772 0.0004 C 0 0 0
- -2.6834 1.6154 0.0008 C 0 0 0
- -1.9430 -0.6904 -0.0056 C 0 0 0
- -3.9926 1.1904 0.0010 C 0 0 0
- -3.2545 -1.1071 -0.0053 C 0 0 0
- -4.2845 -0.1705 0.0009 C 0 0 0
- -5.6103 -0.5963 0.0012 N 0 0 0
- -5.9197 -2.0283 0.0011 C 0 0 0
- -6.6957 0.3876 0.0016 C 0 0 0
- 1.7794 -2.0634 0.0000 H 0 0 0
- 1.4482 2.7073 0.0000 H 0 0 0
- 5.5563 1.8915 0.0000 H 0 0 0
- 6.3830 -0.4374 0.0000 H 0 0 0
- 3.6277 -3.5994 0.0000 H 0 0 0
- 3.7454 3.4445 0.0000 H 0 0 0
- 5.9108 -2.7912 0.0000 H 0 0 0
- -2.4653 2.6365 0.0000 H 0 0 0
- -1.1711 -1.3935 0.0000 H 0 0 0
- -4.7678 1.8899 0.0000 H 0 0 0
- -3.4774 -2.1272 0.0000 H 0 0 0
- -6.9403 -1.8078 0.0000 H 0 0 0
- -6.1402 -3.0489 0.0000 H 0 0 0
- -4.8991 -2.2488 0.0000 H 0 0 0
- -5.9945 1.1612 0.0000 H 0 0 0
- -7.4693 1.0888 0.0000 H 0 0 0
- -7.3969 -0.3860 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 2 0
- 10 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 7 11 1 0
- 9 12 1 0
- 17 18 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 56 1 V2000
- -3.6156 0.8311 -1.3677 C 0 0 0
- -2.8277 0.0683 -0.3341 C 0 0 0
- -3.0530 0.5342 -2.7592 C 0 0 0
- -5.0832 0.4025 -1.3089 C 0 0 0
- -3.5105 2.3310 -1.0845 C 0 0 0
- -3.1540 0.1822 1.0097 C 0 0 0
- -1.7851 -0.7479 -0.7250 C 0 0 0
- -2.4294 -0.5189 1.9621 C 0 0 0
- -4.1847 0.9822 1.3932 O 0 0 0
- -1.0589 -1.4511 0.2282 C 0 0 0
- -1.3825 -1.3316 1.5738 C 0 0 0
- 0.2716 -2.4936 -0.2694 S 0 0 0
- -0.5951 -2.0928 2.6089 C 0 0 0
- 1.5890 -1.3235 -0.2819 C 0 0 0
- 2.8651 -1.7173 -0.6656 C 0 0 0
- 1.3513 -0.0053 0.0862 C 0 0 0
- 3.8965 -0.7996 -0.6750 C 0 0 0
- 3.1232 -3.1456 -1.0707 C 0 0 0
- 2.3845 0.9109 0.0760 C 0 0 0
- 3.6592 0.5154 -0.3016 C 0 0 0
- 2.1270 2.3411 0.4754 C 0 0 0
- 4.6759 1.4185 -0.3113 O 0 0 0
- 0.6507 2.5110 0.8395 C 0 0 0
- 2.9947 2.6972 1.6842 C 0 0 0
- 2.4741 3.2670 -0.6921 C 0 0 0
- -3.5203 -0.3514 0.0000 H 0 0 0
- -2.1674 0.0669 0.0000 H 0 0 0
- -2.5857 1.4198 0.0000 H 0 0 0
- -5.3639 1.3636 0.0000 H 0 0 0
- -6.0443 0.1218 0.0000 H 0 0 0
- -4.8025 -0.5586 0.0000 H 0 0 0
- -2.5117 2.2610 0.0000 H 0 0 0
- -3.4405 3.3298 0.0000 H 0 0 0
- -4.5093 2.4010 0.0000 H 0 0 0
- -1.1273 0.0070 0.0000 H 0 0 0
- -3.0855 -1.2753 0.0000 H 0 0 0
- -4.9757 1.5961 0.0000 H 0 0 0
- -1.2910 -2.8127 0.0000 H 0 0 0
- 0.1248 -2.7887 0.0000 H 0 0 0
- 0.1008 -1.3729 0.0000 H 0 0 0
- 0.4052 0.3224 0.0000 H 0 0 0
- 4.8429 -1.1265 0.0000 H 0 0 0
- 2.1379 -3.3237 0.0000 H 0 0 0
- 3.3013 -4.1309 0.0000 H 0 0 0
- 4.1085 -2.9675 0.0000 H 0 0 0
- 5.4245 2.0835 0.0000 H 0 0 0
- 0.7652 3.5057 0.0000 H 0 0 0
- -0.3440 2.6255 0.0000 H 0 0 0
- 0.5362 1.5163 0.0000 H 0 0 0
- 3.3749 1.7709 0.0000 H 0 0 0
- 3.9210 3.0774 0.0000 H 0 0 0
- 2.6145 3.6235 0.0000 H 0 0 0
- 3.4117 2.9155 0.0000 H 0 0 0
- 2.8256 4.2046 0.0000 H 0 0 0
- 1.5365 3.6185 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 2 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 1 0
- 21 25 1 0
- 10 11 2 0
- 19 20 2 0
- 3 26 1 0
- 3 27 1 0
- 3 28 1 0
- 4 29 1 0
- 4 30 1 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 5 34 1 0
- 7 35 1 0
- 8 36 1 0
- 9 37 1 0
- 13 38 1 0
- 13 39 1 0
- 13 40 1 0
- 16 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 24 52 1 0
- 25 53 1 0
- 25 54 1 0
- 25 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-512-56-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.0037 0.1710 0.0348 P 0 0 0
- -1.3196 0.2306 -0.8909 O 0 0 0
- 0.0151 -1.2160 0.8521 O 0 0 0
- 1.3093 0.2656 -0.8921 O 0 0 0
- -0.0184 1.3043 0.9866 O 0 0 0
- -2.4226 0.5023 -0.0239 C 0 0 0
- 0.0414 -2.2660 -0.1168 C 0 0 0
- 2.4090 0.5442 -0.0232 C 0 0 0
- -2.2188 1.3296 0.0000 H 0 0 0
- -3.2499 0.7061 0.0000 H 0 0 0
- -2.6264 -0.3250 0.0000 H 0 0 0
- -0.8103 -2.2873 0.0000 H 0 0 0
- 0.0627 -3.1177 0.0000 H 0 0 0
- 0.8931 -2.2447 0.0000 H 0 0 0
- 2.6182 -0.2817 0.0000 H 0 0 0
- 3.2349 0.7534 0.0000 H 0 0 0
- 2.1998 1.3701 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-525-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.7419 -0.6373 -0.0011 C 0 0 0
- -0.7420 -0.6369 -0.0003 C 0 0 0
- 1.2057 0.6591 -0.2086 C 0 0 0
- 1.6605 -1.6742 0.1694 C 0 0 0
- -1.2055 0.6592 -0.2072 C 0 0 0
- -1.6611 -1.6747 0.1656 C 0 0 0
- 0.0001 1.5555 -0.3511 C 0 0 0
- 2.5597 0.9144 -0.2498 C 0 0 0
- 3.0139 -1.4096 0.1258 C 0 0 0
- -2.5599 0.9149 -0.2479 C 0 0 0
- -3.0140 -1.4098 0.1237 C 0 0 0
- 0.0008 2.5523 0.7279 N 0 0 0
- 3.4650 -0.1193 -0.0847 C 0 0 0
- -3.4651 -0.1184 -0.0830 C 0 0 0
- 1.3291 -2.6532 0.0000 H 0 0 0
- -1.3298 -2.6537 0.0000 H 0 0 0
- -0.9232 2.0200 0.0000 H 0 0 0
- 2.8971 1.8913 0.0000 H 0 0 0
- 3.6906 -2.1909 0.0000 H 0 0 0
- -2.8972 1.8919 0.0000 H 0 0 0
- -3.6909 -2.1909 0.0000 H 0 0 0
- 0.8963 3.0685 0.0000 H 0 0 0
- -0.8939 3.0697 0.0000 H 0 0 0
- 4.4797 0.0774 0.0000 H 0 0 0
- -4.4797 0.0785 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 2 0
- 5 7 1 0
- 9 13 2 0
- 11 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-598-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.4485 -0.0024 -0.0013 C 0 0 0
- -0.7168 0.6719 0.0009 O 0 0 0
- 1.6164 0.6704 0.0000 N 0 0 0
- 0.4473 -1.2175 0.0005 O 0 0 0
- -1.9750 -0.0528 -0.0006 C 0 0 0
- 2.4909 0.1644 0.0000 H 0 0 0
- 1.6174 1.6807 0.0000 H 0 0 0
- -2.4793 0.8227 0.0000 H 0 0 0
- -2.8505 -0.5571 0.0000 H 0 0 0
- -1.4707 -0.9283 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17902-23-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.3348 0.3841 -0.0288 N 0 0 0
- -1.7892 0.5584 -0.0472 C 0 0 0
- 0.4662 1.4651 -0.0327 C 0 0 0
- 0.1975 -0.8789 -0.0020 C 0 0 0
- -2.3716 -0.1167 -1.3041 C 0 0 0
- -2.3649 -0.0968 1.0954 O 0 0 0
- 1.8056 1.3344 -0.0161 N 0 0 0
- -0.0272 2.5763 -0.0520 O 0 0 0
- 1.5385 -1.0385 0.0155 C 0 0 0
- -3.3607 -1.1688 -0.7459 C 0 0 0
- -3.6417 -0.6265 0.6787 C 0 0 0
- 2.3694 0.1098 0.0053 C 0 0 0
- 2.0805 -2.2757 0.0427 F 0 0 0
- 3.5814 -0.0085 0.0204 O 0 0 0
- -2.1504 1.5028 0.0000 H 0 0 0
- -0.4105 -1.6868 0.0000 H 0 0 0
- -2.0661 -1.0806 0.0000 H 0 0 0
- -1.3811 -0.3200 0.0000 H 0 0 0
- 2.3917 2.1583 0.0000 H 0 0 0
- -4.2004 -1.7320 0.0000 H 0 0 0
- -2.7066 -1.9398 0.0000 H 0 0 0
- -4.0554 0.2961 0.0000 H 0 0 0
- -4.5522 -1.0661 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 9 12 1 0
- 10 11 1 0
- 2 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 7 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-132-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- 0.6276 -2.4289 0.0551 N 0 0 0
- -0.2114 -2.4277 -1.1518 C 0 0 1
- 1.4072 -1.2273 0.3173 C 0 0 2
- -0.4790 -2.6475 0.8058 C 0 0 0
- -1.4763 -2.4403 -0.3027 C 0 0 1
- 0.0373 -0.7501 -1.8541 S 0 0 0
- 1.5460 -0.2904 -0.9015 C 0 0 0
- 2.7771 -1.6151 0.8112 C 0 0 0
- -0.6193 -2.9199 1.9793 O 0 0 0
- -2.0228 -1.0835 -0.2205 N 0 0 0
- 1.5059 1.1791 -0.4772 C 0 0 0
- 2.8175 -0.5988 -1.6945 C 0 0 0
- 3.2047 -2.7428 0.6061 O 0 0 0
- 3.4616 -0.8022 1.4175 O 0 0 0
- -3.3508 -0.8992 -0.0831 C 0 0 0
- -3.9130 0.4965 0.0014 C 0 0 0
- -4.0934 -1.8564 -0.0273 O 0 0 0
- -5.3334 0.4300 0.1432 O 0 0 0
- -5.7815 1.7111 0.2139 C 0 0 0
- -7.1380 1.9661 0.3557 C 0 0 0
- -4.8829 2.7659 0.1502 C 0 0 0
- -7.5908 3.2690 0.4272 C 0 0 0
- -5.3409 4.0674 0.2222 C 0 0 0
- -6.6935 4.3189 0.3577 C 0 0 0
- 13.1573 2.7598 0.1854 K 0 3 0
- -0.2070 -3.4609 0.0000 H 0 0 0
- 0.4407 -0.8621 0.0000 H 0 0 0
- -2.1390 -3.2329 0.0000 H 0 0 0
- -1.3870 -0.2691 0.0000 H 0 0 0
- 2.5387 1.2073 0.0000 H 0 0 0
- 1.4777 2.2119 0.0000 H 0 0 0
- 0.4731 1.1509 0.0000 H 0 0 0
- 2.5740 -1.6029 0.0000 H 0 0 0
- 3.8216 -0.8423 0.0000 H 0 0 0
- 3.0610 0.4053 0.0000 H 0 0 0
- -2.9175 0.7730 0.0000 H 0 0 0
- -4.0764 1.5167 0.0000 H 0 0 0
- -7.8123 1.1833 0.0000 H 0 0 0
- -3.8671 2.5773 0.0000 H 0 0 0
- -8.6061 3.4604 0.0000 H 0 0 0
- -4.6689 4.8522 0.0000 H 0 0 0
- -7.0379 5.2930 0.0000 H 0 0 0
- 4.1271 -0.0119 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 4 5 1 0
- 6 7 1 0
- 23 24 2 0
- 2 26 1 0
- 3 27 1 0
- 5 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 12 35 1 0
- 16 36 1 0
- 16 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
- 24 42 1 0
- 14 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3018-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- -0.0584 0.0000 -0.5604 C 0 0 0
- -1.4672 0.0000 -0.1335 C 0 0 0
- 0.7632 1.4721 0.0788 Cl 0 0 0
- 0.7631 -1.4722 0.0788 Cl 0 0 0
- -2.5544 0.0001 0.1959 N 0 0 0
- 1.1021 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 3 0
- 1 6 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32692-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.2014 0.6381 0.0027 C 0 0 0
- -1.6466 -0.6744 0.0017 C 0 0 0
- 0.1514 0.9191 0.0019 C 0 0 0
- -2.4046 1.5540 -0.0015 C 0 0 0
- -0.7079 -1.7086 -0.0002 C 0 0 0
- -3.0406 -0.7453 0.0027 N 0 0 0
- 1.0744 -0.1099 0.0000 C 0 0 0
- -3.6131 0.6036 -0.0051 C 0 0 0
- 0.6406 -1.4232 -0.0010 C 0 0 0
- 2.5231 0.1928 -0.0003 N 0 3 0
- 3.3350 -0.7151 -0.0020 O 0 0 0
- 2.9035 1.3499 0.0010 O 0 5 0
- 0.4758 1.9066 0.0000 H 0 0 0
- -1.7074 2.3249 0.0000 H 0 0 0
- -3.1139 2.3139 0.0000 H 0 0 0
- -1.0276 -2.6977 0.0000 H 0 0 0
- -3.5921 -1.6264 0.0000 H 0 0 0
- -4.1811 1.4742 0.0000 H 0 0 0
- -4.5304 0.1147 0.0000 H 0 0 0
- 1.3339 -2.1977 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.8782 -0.1838 0.0614 C 0 0 0
- -2.0390 0.6699 0.0235 C 0 0 0
- 0.4836 0.3723 0.1061 C 0 0 0
- -1.1007 -1.5454 0.0599 C 0 0 0
- -3.2430 0.0663 -0.0155 C 0 0 0
- 1.5480 -0.4538 0.1408 N 0 0 0
- 0.6486 1.5775 0.1116 O 0 0 0
- -2.8274 -1.6655 0.0086 S 0 0 0
- -4.5846 0.6904 -0.0593 N 0 3 0
- 2.8434 0.0697 0.0533 C 0 0 0
- -5.5811 -0.0093 -0.0915 O 0 0 0
- -4.6921 1.9036 -0.0631 O 0 5 0
- 3.9360 -0.7858 -0.0432 C 0 0 0
- 3.0402 1.4434 0.0567 C 0 0 0
- 5.2136 -0.2646 -0.1300 C 0 0 0
- 3.7491 -2.1238 -0.0517 F 0 0 0
- 4.3200 1.9573 -0.0304 C 0 0 0
- 5.4048 1.1053 -0.1209 C 0 0 0
- -1.9514 1.7011 0.0000 H 0 0 0
- -0.4036 -2.3102 0.0000 H 0 0 0
- 1.4057 -1.4788 0.0000 H 0 0 0
- 2.2262 2.0825 0.0000 H 0 0 0
- 6.0305 -0.9000 0.0000 H 0 0 0
- 4.4664 2.9818 0.0000 H 0 0 0
- 6.3646 1.4922 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 5 8 1 0
- 17 18 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 14 22 1 0
- 15 23 1 0
- 17 24 1 0
- 18 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-8003-03-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 68 1 V2000
- 5.3156 0.1805 0.1636 N 0 0 0
- 4.1327 -0.5642 0.6023 C 0 0 1
- 5.5422 1.5220 0.3407 C 0 0 0
- 6.3958 -0.3335 -0.4900 C 0 0 0
- 3.0660 -0.5483 -0.5221 C 0 0 1
- 4.4653 -1.9632 0.7313 O 0 0 0
- 6.7953 1.7829 -0.2383 C 0 0 0
- 4.8684 2.5217 0.9005 N 0 0 0
- 7.2619 0.6086 -0.7265 N 0 0 0
- 2.2715 -1.8454 -0.2337 C 0 0 1
- 2.2098 0.5828 -0.3504 O 0 0 0
- 3.2366 -2.6995 0.6111 C 0 0 1
- 7.2829 3.1005 -0.1990 C 0 0 0
- 5.3649 3.7406 0.9143 C 0 0 0
- 1.1117 -1.5314 0.5398 O 0 0 0
- 3.5043 -4.0250 -0.1047 C 0 0 0
- 6.5376 4.0344 0.3825 N 0 0 0
- 8.5110 3.4178 -0.7524 N 0 0 0
- -0.1643 -1.9946 -0.3258 P 0 0 0
- 4.4149 -4.8087 0.6691 O 0 0 0
- -1.5133 -1.6689 0.4904 O 0 0 0
- -0.1795 -1.2008 -1.7264 O 0 0 0
- -0.0833 -3.4496 -0.5842 O 0 0 0
- -2.6042 -2.1006 -0.3255 C 0 0 0
- -3.9236 -1.8182 0.3958 C 0 0 1
- -4.0603 -0.4031 0.6079 O 0 0 0
- -5.1007 -2.2641 -0.4931 C 0 0 2
- -5.4647 -0.0920 0.4835 C 0 0 2
- -5.9260 -0.9718 -0.7063 C 0 0 2
- -5.8919 -3.2239 0.2103 O 0 0 0
- -5.6227 1.3222 0.1351 N 0 0 0
- -7.3174 -1.2671 -0.5691 O 0 0 0
- -6.3395 2.1326 0.9352 C 0 0 0
- -5.0382 1.8113 -0.9945 C 0 0 0
- -6.4995 3.4220 0.6423 N 0 0 0
- -6.8516 1.6788 1.9451 O 0 0 0
- -5.1914 3.1202 -1.3058 C 0 0 0
- -5.9536 3.9413 -0.4495 C 0 0 0
- -6.1259 5.2744 -0.7421 N 0 0 0
- 3.8716 0.3664 0.0000 H 0 0 0
- 6.5799 -1.2824 0.0000 H 0 0 0
- 3.5028 0.3140 0.0000 H 0 0 0
- 1.8128 -2.6962 0.0000 H 0 0 0
- 1.6264 1.3535 0.0000 H 0 0 0
- 2.3991 -3.1821 0.0000 H 0 0 0
- 4.7314 4.4706 0.0000 H 0 0 0
- 2.5430 -3.9246 0.0000 H 0 0 0
- 3.1214 -4.9125 0.0000 H 0 0 0
- 9.1883 2.7282 0.0000 H 0 0 0
- 8.7695 4.3492 0.0000 H 0 0 0
- 5.1475 -5.4392 0.0000 H 0 0 0
- -0.1980 -0.2344 0.0000 H 0 0 0
- -3.1000 -2.9303 0.0000 H 0 0 0
- -1.9782 -2.8370 0.0000 H 0 0 0
- -3.8506 -2.7820 0.0000 H 0 0 0
- -4.5377 -3.0498 0.0000 H 0 0 0
- -6.4146 0.0866 0.0000 H 0 0 0
- -6.5098 -0.2015 0.0000 H 0 0 0
- -6.5067 -3.9697 0.0000 H 0 0 0
- -8.2629 -1.4678 0.0000 H 0 0 0
- -4.1401 1.4539 0.0000 H 0 0 0
- -4.3138 3.5252 0.0000 H 0 0 0
- -5.3577 5.8610 0.0000 H 0 0 0
- -7.0180 5.6464 0.0000 H 0 0 0
- 2 1 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 13 18 1 0
- 15 19 1 0
- 16 20 1 0
- 19 21 1 0
- 19 22 1 0
- 19 23 2 0
- 21 24 1 0
- 25 24 1 0
- 25 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 27 30 1 0
- 28 31 1 0
- 29 32 1 0
- 31 33 1 0
- 31 34 1 0
- 33 35 1 0
- 33 36 2 0
- 34 37 2 0
- 35 38 2 0
- 38 39 1 0
- 7 9 1 0
- 10 12 1 0
- 14 17 1 0
- 28 29 1 0
- 37 38 1 0
- 2 40 1 0
- 4 41 1 0
- 5 42 1 0
- 10 43 1 0
- 11 44 1 0
- 12 45 1 0
- 14 46 1 0
- 16 47 1 0
- 16 48 1 0
- 18 49 1 0
- 18 50 1 0
- 20 51 1 0
- 22 52 1 0
- 24 53 1 0
- 24 54 1 0
- 25 55 1 0
- 27 56 1 0
- 28 57 1 0
- 29 58 1 0
- 30 59 1 0
- 32 60 1 0
- 34 61 1 0
- 37 62 1 0
- 39 63 1 0
- 39 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104445-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.6540 -0.1252 0.2270 C 0 0 0
- -0.6810 0.4032 0.6849 C 0 0 0
- 1.8368 0.5155 0.3460 N 0 0 0
- 0.8593 -1.2799 -0.3451 N 0 0 0
- -1.5953 0.5052 -0.4747 N 0 0 0
- -1.2935 -0.5487 1.5813 O 0 0 0
- 2.7955 -0.3015 -0.1899 C 0 0 0
- 2.0535 1.8379 0.9381 C 0 0 0
- 2.1664 -1.4140 -0.6144 C 0 0 0
- -2.9317 0.1130 0.0285 C 0 0 0
- -2.7042 -0.2346 1.5160 C 0 0 0
- 4.2456 -0.0182 -0.2816 N 0 3 0
- -3.9139 1.2788 -0.1024 C 0 0 0
- -3.4508 -1.1081 -0.7334 C 0 0 0
- 4.8602 0.3382 0.7077 O 0 0 0
- 4.8240 -0.1416 -1.3463 O 0 5 0
- -3.8695 1.7917 -1.4354 O 0 0 0
- -4.6897 -1.5343 -0.1627 O 0 0 0
- -0.4436 1.3567 0.0000 H 0 0 0
- -1.6809 1.4841 0.0000 H 0 0 0
- 3.0232 1.6790 0.0000 H 0 0 0
- 2.2124 2.8076 0.0000 H 0 0 0
- 1.0838 1.9968 0.0000 H 0 0 0
- 2.6175 -2.2870 0.0000 H 0 0 0
- -3.6390 -0.5375 0.0000 H 0 0 0
- -2.6579 -1.2161 0.0000 H 0 0 0
- -4.8377 1.6137 0.0000 H 0 0 0
- -4.4762 0.4730 0.0000 H 0 0 0
- -3.3655 -2.0870 0.0000 H 0 0 0
- -2.4803 -1.2623 0.0000 H 0 0 0
- -3.7848 2.7707 0.0000 H 0 0 0
- -5.6189 -1.8539 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 10 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 7 9 2 0
- 10 11 1 0
- 2 19 1 0
- 5 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-637-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -2.9065 0.2311 -0.0007 C 0 0 0
- -3.5645 -0.9200 -0.0022 C 0 0 0
- -1.4288 0.2375 -0.0010 C 0 0 0
- -0.7344 1.4480 0.0007 C 0 0 0
- -0.7238 -0.9674 0.0030 C 0 0 0
- 0.6444 1.4498 0.0009 C 0 0 0
- 0.6545 -0.9574 0.0032 C 0 0 0
- 1.3419 0.2494 -0.0005 C 0 0 0
- 2.7006 0.2552 -0.0008 O 0 0 0
- 3.1195 -1.1110 -0.0023 C 0 0 0
- -3.4311 1.1308 0.0000 H 0 0 0
- -4.6059 -0.9245 0.0000 H 0 0 0
- -3.0399 -1.8197 0.0000 H 0 0 0
- -1.2570 2.3488 0.0000 H 0 0 0
- -1.2386 -1.8727 0.0000 H 0 0 0
- 1.1633 2.3528 0.0000 H 0 0 0
- 1.1811 -1.8559 0.0000 H 0 0 0
- 2.1238 -1.4163 0.0000 H 0 0 0
- 3.4248 -2.1067 0.0000 H 0 0 0
- 4.1152 -0.8057 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 10 9 1 0
- 7 8 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106063-42-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 0.8391 0.0024 -0.5730 C 0 0 0
- 1.5123 -1.2061 -0.3018 C 0 0 0
- 1.5163 1.2071 -0.2971 C 0 0 0
- -0.4356 0.0056 -1.0953 N 0 0 0
- 2.8275 -1.1674 0.2310 C 0 0 0
- 0.8993 -2.4455 -0.5512 C 0 0 0
- 2.8316 1.1618 0.2356 C 0 0 0
- 0.9077 2.4498 -0.5415 C 0 0 0
- -1.5440 0.0029 -0.2383 C 0 0 0
- 3.4289 -0.0042 0.4765 N 0 0 0
- 3.4893 -2.3834 0.4975 C 0 0 0
- 1.5720 -3.5969 -0.2797 C 0 0 0
- 3.4977 2.3744 0.5070 C 0 0 0
- 1.5845 3.5976 -0.2654 C 0 0 0
- -2.8337 0.0062 -0.7657 C 0 0 0
- -1.3587 -0.0089 1.1367 C 0 0 0
- 2.8647 -3.5635 0.2430 C 0 0 0
- 2.8771 3.5576 0.2571 C 0 0 0
- -3.9270 0.0029 0.0844 C 0 0 0
- -3.0184 0.0130 -2.1129 O 0 0 0
- -2.4518 -0.0121 1.9818 C 0 0 0
- -3.7365 -0.0036 1.4581 C 0 0 0
- -4.4299 0.0148 -2.3362 C 0 0 0
- -4.8100 -0.0067 2.2925 O 0 0 0
- -0.4356 0.9882 0.0000 H 0 0 0
- -0.0827 -2.4796 0.0000 H 0 0 0
- -0.0741 2.4878 0.0000 H 0 0 0
- 4.4718 -2.3777 0.0000 H 0 0 0
- 1.0940 -4.4553 0.0000 H 0 0 0
- 4.4802 2.3649 0.0000 H 0 0 0
- 1.1104 4.4582 0.0000 H 0 0 0
- -0.3766 -0.0387 0.0000 H 0 0 0
- 3.3824 -4.3986 0.0000 H 0 0 0
- 3.3985 4.3904 0.0000 H 0 0 0
- -4.9094 0.0182 0.0000 H 0 0 0
- -2.4536 -0.9947 0.0000 H 0 0 0
- -4.4286 0.9974 0.0000 H 0 0 0
- -5.4125 0.0161 0.0000 H 0 0 0
- -4.4312 -0.9678 0.0000 H 0 0 0
- -5.7926 -0.0095 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 9 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 1 0
- 15 20 1 0
- 16 21 2 0
- 19 22 2 0
- 20 23 1 0
- 22 24 1 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 21 22 1 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 21 36 1 0
- 23 37 1 0
- 23 38 1 0
- 23 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-08-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.9060 0.5604 -0.0027 C 0 0 0
- -1.2840 -0.8069 -0.0012 C 0 0 0
- 0.4537 0.9015 -0.0023 C 0 0 0
- -1.9041 1.5522 0.0013 C 0 0 0
- -0.2919 -1.8050 0.0012 C 0 0 0
- -2.6480 -1.1423 -0.0016 C 0 0 0
- 1.4096 -0.1056 -0.0004 C 0 0 0
- -3.2153 1.1880 0.0065 C 0 0 0
- 1.0199 -1.4593 0.0021 C 0 0 0
- -3.5861 -0.1554 -0.0035 C 0 0 0
- 2.8383 0.2433 0.0000 C 0 0 0
- 3.8799 -0.8458 0.0021 C 0 0 0
- 3.1781 1.4074 -0.0012 O 0 0 0
- 0.7474 1.9121 0.0000 H 0 0 0
- -1.6380 2.5704 0.0000 H 0 0 0
- -0.5679 -2.8206 0.0000 H 0 0 0
- -2.9437 -2.1523 0.0000 H 0 0 0
- -3.9601 1.9316 0.0000 H 0 0 0
- 1.7556 -2.2118 0.0000 H 0 0 0
- -4.6070 -0.4111 0.0000 H 0 0 0
- 3.1193 -1.5732 0.0000 H 0 0 0
- 4.6073 -1.6064 0.0000 H 0 0 0
- 4.6405 -0.1184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 11 13 2 0
- 7 9 2 0
- 8 10 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-36-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.1605 0.1886 -0.0105 C 0 0 0
- 1.0762 -0.8725 0.0232 C 0 0 0
- 0.6297 1.5050 -0.0371 C 0 0 0
- -1.2882 -0.0825 -0.0239 C 0 0 0
- 2.4373 -0.6054 0.0297 C 0 0 0
- 0.6331 -2.1542 0.0497 O 0 0 0
- 1.9851 1.7512 -0.0302 C 0 0 0
- -2.1653 0.9371 0.0601 O 0 0 0
- -1.6917 -1.2254 -0.1107 O 0 0 0
- 2.8868 0.6996 0.0031 C 0 0 0
- -3.5925 0.6700 0.0469 C 0 0 0
- -0.0428 2.2969 0.0000 H 0 0 0
- 3.1196 -1.3889 0.0000 H 0 0 0
- 0.2936 -3.1361 0.0000 H 0 0 0
- 2.3327 2.7303 0.0000 H 0 0 0
- 3.9073 0.8943 0.0000 H 0 0 0
- -3.7836 1.6912 0.0000 H 0 0 0
- -4.6137 0.4789 0.0000 H 0 0 0
- -3.4014 -0.3512 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15131-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- 0.0452 1.8175 -0.2614 C 0 0 0
- -0.5223 0.4256 -0.1201 C 0 0 0
- 1.5735 1.9733 -0.2891 C 0 0 0
- 0.8059 2.1384 0.9050 O 0 0 0
- 0.3167 -0.6646 -0.0207 C 0 0 0
- -1.9140 0.2449 -0.0899 C 0 0 0
- 2.4095 0.7205 -0.1751 C 0 0 0
- 1.7935 -0.5192 -0.0482 C 0 0 0
- -0.2278 -1.9585 0.1117 C 0 0 0
- -2.4457 -1.0623 0.0434 C 0 0 0
- -2.7918 1.3391 -0.1900 C 0 0 0
- 3.7864 0.8153 -0.1971 C 0 0 0
- 2.5843 -1.6672 0.0568 C 0 0 0
- -1.5688 -2.1570 0.1434 C 0 0 0
- -3.8389 -1.2394 0.0733 C 0 0 0
- -4.1360 1.1288 -0.1574 C 0 0 0
- 4.5620 -0.3252 -0.0935 C 0 0 0
- 3.9588 -1.5637 0.0343 C 0 0 0
- -4.6582 -0.1567 -0.0261 C 0 0 0
- -0.6951 2.5489 0.0000 H 0 0 0
- 2.1586 2.8339 0.0000 H 0 0 0
- 0.4100 -2.7808 0.0000 H 0 0 0
- -2.4157 2.3094 0.0000 H 0 0 0
- 4.2413 1.7512 0.0000 H 0 0 0
- 2.1352 -2.6059 0.0000 H 0 0 0
- -1.9492 -3.1256 0.0000 H 0 0 0
- -4.2425 -2.1986 0.0000 H 0 0 0
- -4.7823 1.9444 0.0000 H 0 0 0
- 5.5999 -0.2503 0.0000 H 0 0 0
- 4.5433 -2.4247 0.0000 H 0 0 0
- -5.6899 -0.2926 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 2 0
- 12 17 2 0
- 13 18 2 0
- 15 19 2 0
- 3 4 1 0
- 7 8 2 0
- 10 14 1 0
- 16 19 1 0
- 17 18 1 0
- 1 20 1 0
- 3 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.1181 0.7885 0.0496 C 0 0 0
- 0.2883 -0.5307 -0.0296 C 0 0 0
- 0.8229 1.7990 0.1102 C 0 0 0
- -1.5608 1.1188 0.0632 N 0 3 0
- 1.6355 -0.8388 -0.0482 C 0 0 0
- -0.7194 -1.6129 -0.0951 N 0 3 0
- 2.1705 1.4907 0.0917 C 0 0 0
- -2.0088 1.9240 -0.7334 O 0 0 0
- -2.3001 0.5856 0.8711 O 0 5 0
- 2.5768 0.1720 0.0129 C 0 0 0
- -0.3671 -2.7773 -0.0366 O 0 0 0
- -1.9008 -1.3389 -0.2074 O 0 5 0
- 4.0457 -0.1640 -0.0078 C 0 0 0
- 0.5188 2.7889 0.0000 H 0 0 0
- 1.9396 -1.8287 0.0000 H 0 0 0
- 2.8752 2.2496 0.0000 H 0 0 0
- 3.8148 -1.1735 0.0000 H 0 0 0
- 5.0552 -0.3949 0.0000 H 0 0 0
- 4.2766 0.8455 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 10 13 1 0
- 7 10 2 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 13 17 1 0
- 13 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112575-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -1.4186 0.5131 -0.0033 C 0 0 0
- -0.7803 -0.8018 -0.0030 C 0 0 0
- -0.4724 1.5281 -0.0024 C 0 0 0
- -2.7911 0.7255 0.0009 C 0 0 0
- 0.6731 -0.5353 -0.0019 C 0 0 0
- -1.5758 -1.9215 -0.0033 C 0 0 0
- 0.8580 0.8788 -0.0015 C 0 0 0
- -0.9513 2.8393 -0.0020 C 0 0 0
- -3.6577 -0.4699 0.0062 C 0 0 0
- -3.2483 2.0391 0.0007 C 0 0 0
- 1.7658 -1.3819 -0.0013 C 0 0 0
- -2.9842 -1.8092 -0.0040 C 0 0 0
- 2.1307 1.4068 -0.0009 C 0 0 0
- -2.3167 3.0713 -0.0028 C 0 0 0
- -4.8673 -0.3721 0.0104 O 0 0 0
- 3.0679 -0.8510 0.0004 C 0 0 0
- -3.6631 -2.8183 -0.0041 O 0 0 0
- 3.2521 0.5549 -0.0001 C 0 0 0
- 4.1919 -1.6929 0.0020 C 0 0 0
- 4.5542 1.0770 0.0013 C 0 0 0
- 5.4433 -1.1499 0.0039 C 0 0 0
- 5.6238 0.2294 0.0027 C 0 0 0
- -1.1337 -2.8685 0.0000 H 0 0 0
- -0.2825 3.6424 0.0000 H 0 0 0
- -4.2727 2.2464 0.0000 H 0 0 0
- 1.6241 -2.4174 0.0000 H 0 0 0
- 2.2643 2.4433 0.0000 H 0 0 0
- -2.6595 4.0586 0.0000 H 0 0 0
- 4.0702 -2.7309 0.0000 H 0 0 0
- 4.7046 2.1112 0.0000 H 0 0 0
- 6.2780 -1.7789 0.0000 H 0 0 0
- 6.5923 0.6222 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 2 0
- 11 16 2 0
- 12 17 2 0
- 13 18 2 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 16 18 1 0
- 21 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
- 22 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111712-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 0.0996 0.9988 0.2746 P 0 0 0
- 0.0245 -0.4292 1.0144 O 0 0 0
- 1.3750 1.0281 -0.7074 O 0 0 0
- -1.2433 1.2303 -0.5828 O 0 0 0
- 0.2305 2.0718 1.2855 O 0 0 0
- -0.1244 -1.4166 -0.0078 C 0 0 0
- 2.5367 1.0454 0.1247 C 0 0 0
- -2.2986 1.4534 0.3546 C 0 0 0
- -0.2024 -2.8045 0.6313 C 0 0 0
- 3.7909 1.0737 -0.7511 C 0 0 0
- -3.6104 1.6816 -0.3990 C 0 0 0
- -0.3618 -3.8617 -0.4631 C 0 0 0
- 1.4463 -3.1532 1.6440 Br 0 0 0
- 5.0346 1.0921 0.1399 C 0 0 0
- 3.8278 -0.5250 -1.8948 Br 0 0 0
- -4.7402 1.9205 0.6047 C 0 0 0
- -3.4297 3.2517 -1.5683 Br 0 0 0
- -0.4398 -5.2496 0.1760 C 0 0 0
- -2.0105 -3.5130 -1.4758 Br 0 0 0
- 6.2889 1.1204 -0.7359 C 0 0 0
- 4.9978 2.6908 1.2836 Br 0 0 0
- -6.0520 2.1487 -0.1490 C 0 0 0
- -4.9209 0.3504 1.7740 Br 0 0 0
- -0.9241 -0.8185 0.0000 H 0 0 0
- -1.0295 -1.8386 0.0000 H 0 0 0
- 2.0526 0.1720 0.0000 H 0 0 0
- 3.0532 0.1907 0.0000 H 0 0 0
- -1.6402 2.2042 0.0000 H 0 0 0
- -2.6310 2.3951 0.0000 H 0 0 0
- -1.1957 -2.7019 0.0000 H 0 0 0
- 3.7722 2.0722 0.0000 H 0 0 0
- -3.7993 0.7010 0.0000 H 0 0 0
- 0.6315 -3.9643 0.0000 H 0 0 0
- 5.0532 0.0936 0.0000 H 0 0 0
- -4.5513 2.9011 0.0000 H 0 0 0
- -1.4369 -5.1936 0.0000 H 0 0 0
- -0.4958 -6.2467 0.0000 H 0 0 0
- 0.5573 -5.3056 0.0000 H 0 0 0
- 6.3114 0.1220 0.0000 H 0 0 0
- 7.2873 1.1429 0.0000 H 0 0 0
- 6.2664 2.1188 0.0000 H 0 0 0
- -5.8808 3.1326 0.0000 H 0 0 0
- -7.0359 2.3198 0.0000 H 0 0 0
- -6.2232 1.1648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 14 20 1 0
- 14 21 1 0
- 16 22 1 0
- 16 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106449-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.3698 -0.0339 -0.1931 N 0 0 0
- -1.5859 -0.1608 0.4124 C 0 0 0
- 0.9359 -0.2860 0.4217 C 0 0 2
- -0.5958 0.3686 -1.4891 C 0 0 0
- -2.5436 0.2939 -0.5471 C 0 0 0
- -1.9418 -0.5845 1.6036 N 0 0 0
- 1.7421 0.9096 0.3467 O 0 0 0
- 1.6887 -1.3242 -0.3951 C 0 0 0
- -1.8691 0.5471 -1.6909 N 0 0 0
- -3.8861 0.4325 -0.2083 C 0 0 0
- -3.3718 -0.7472 1.8977 C 0 0 0
- 3.1054 0.4434 0.4589 C 0 0 1
- 3.1357 -0.8564 -0.3750 C 0 0 1
- 1.2375 -2.3033 -0.9392 O 0 0 0
- -4.1870 0.1851 1.1187 N 0 0 0
- -4.8412 0.7881 -1.1237 N 0 0 0
- 4.0493 1.4725 -0.1663 C 0 0 0
- 3.9420 -1.8306 0.2906 O 0 0 0
- 3.9453 2.7078 0.5444 O 0 0 0
- 0.4264 -1.0860 0.0000 H 0 0 0
- -0.0609 1.1518 0.0000 H 0 0 0
- -4.1964 -1.2158 0.0000 H 0 0 0
- -3.0779 -1.6490 0.0000 H 0 0 0
- 3.9932 0.1098 0.0000 H 0 0 0
- 4.0242 -0.5246 0.0000 H 0 0 0
- -5.1322 0.2629 0.0000 H 0 0 0
- -4.9990 1.7233 0.0000 H 0 0 0
- -5.5722 0.1838 0.0000 H 0 0 0
- 4.5694 0.6794 0.0000 H 0 0 0
- 4.9459 1.7818 0.0000 H 0 0 0
- 4.5467 -2.5612 0.0000 H 0 0 0
- 3.8657 3.6529 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 2 0
- 10 15 1 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 17 19 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 20 1 0
- 4 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1672-88-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 3.5693 0.2517 0.0037 N 0 0 0
- 3.9604 -1.1686 0.0047 C 0 0 0
- 4.7099 0.9649 -0.0018 C 0 0 0
- 2.3674 0.7201 0.0026 N 0 0 0
- 5.4755 -1.1209 -0.0010 C 0 0 0
- 5.7988 0.1875 -0.0045 N 0 0 0
- 4.7471 2.1787 -0.0040 O 0 0 0
- 1.3307 -0.1106 0.0027 C 0 0 0
- 6.2378 -2.0635 -0.0015 O 0 0 0
- 0.0429 0.3913 0.0015 C 0 0 0
- -1.0604 -0.4929 0.0016 C 0 0 0
- -2.3469 0.0085 0.0004 C 0 0 0
- -3.4875 -0.7182 0.0004 O 0 0 0
- -2.7126 1.3816 0.0052 C 0 0 0
- -4.5398 0.1061 -0.0010 C 0 0 0
- -4.0917 1.4182 0.0018 C 0 0 0
- -5.9591 -0.3154 -0.0021 N 0 3 0
- -6.8432 0.5225 -0.0034 O 0 0 0
- -6.2888 -1.6925 -0.0019 O 0 5 0
- 2.9543 -1.3617 0.0000 H 0 0 0
- 4.0734 -2.1869 0.0000 H 0 0 0
- 6.7597 0.5429 0.0000 H 0 0 0
- 1.4858 -1.1233 0.0000 H 0 0 0
- -0.1122 1.4040 0.0000 H 0 0 0
- -0.9053 -1.5056 0.0000 H 0 0 0
- -2.0776 2.1856 0.0000 H 0 0 0
- -4.6766 2.2593 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 8 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 6 1 0
- 15 16 2 0
- 2 20 1 0
- 2 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 14 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105650-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.4344 0.2948 0.0505 C 0 0 0
- -1.7909 -1.0539 -0.1355 C 0 0 0
- -0.0966 0.6485 0.0936 C 0 0 0
- -2.6218 1.0011 0.1485 N 0 0 0
- -3.1461 -1.1068 -0.1367 N 0 0 0
- -0.8460 -1.9834 -0.2687 N 0 0 0
- 0.8575 -0.3620 -0.0513 C 0 0 0
- -3.6375 0.0982 0.0244 C 0 0 0
- -2.7611 2.4456 0.3487 C 0 0 0
- 0.4322 -1.6791 -0.2318 C 0 0 0
- 2.3047 -0.0390 -0.0133 C 0 0 0
- -4.9790 0.4061 0.0676 N 0 0 0
- 3.1941 -0.8888 0.6423 C 0 0 0
- 2.7810 1.1120 -0.6379 C 0 0 0
- 4.5395 -0.5836 0.6741 C 0 0 0
- 4.1288 1.4073 -0.5997 C 0 0 0
- 5.0060 0.5633 0.0568 C 0 0 0
- 0.1865 1.6412 0.0000 H 0 0 0
- -1.7336 2.5447 0.0000 H 0 0 0
- -2.8602 3.4731 0.0000 H 0 0 0
- -3.7886 2.3465 0.0000 H 0 0 0
- 1.1329 -2.4372 0.0000 H 0 0 0
- -5.2821 1.3929 0.0000 H 0 0 0
- -5.6820 -0.3498 0.0000 H 0 0 0
- 2.9190 -1.8837 0.0000 H 0 0 0
- 2.1183 1.9035 0.0000 H 0 0 0
- 5.2075 -1.3706 0.0000 H 0 0 0
- 4.4093 2.4007 0.0000 H 0 0 0
- 6.0158 0.7777 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 11 13 1 0
- 11 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 5 8 2 0
- 7 10 1 0
- 16 17 2 0
- 3 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-479-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.4557 0.7350 0.0022 C 0 0 0
- -0.1453 -0.5210 0.0007 C 0 0 0
- 1.9062 0.4830 0.0016 C 0 0 0
- -0.3460 1.8965 -0.0012 C 0 0 0
- -1.6129 -0.5727 0.0007 C 0 0 0
- 0.8107 -1.4622 -0.0006 O 0 0 0
- 2.0457 -0.9141 -0.0002 C 0 0 0
- 3.0321 1.3014 0.0024 C 0 0 0
- -1.6870 1.8186 -0.0065 O 0 0 0
- 0.1883 2.9907 0.0003 O 0 0 0
- -2.3353 0.6333 0.0024 C 0 0 0
- -2.2896 -1.7956 -0.0013 C 0 0 0
- 3.3187 -1.4685 -0.0011 C 0 0 0
- 4.2890 0.7365 0.0014 C 0 0 0
- -3.7223 0.5936 0.0024 C 0 0 0
- -3.6551 -1.8171 -0.0017 C 0 0 0
- 4.4322 -0.6469 -0.0004 C 0 0 0
- -4.3775 -0.6266 0.0008 C 0 0 0
- 5.6755 -1.1961 -0.0009 O 0 0 0
- -5.7349 -0.6623 0.0012 O 0 0 0
- 2.9250 2.3366 0.0000 H 0 0 0
- -1.7540 -2.6879 0.0000 H 0 0 0
- 3.4355 -2.5026 0.0000 H 0 0 0
- 5.1325 1.3461 0.0000 H 0 0 0
- -4.2692 1.4790 0.0000 H 0 0 0
- -4.1584 -2.7280 0.0000 H 0 0 0
- 6.6274 -1.6166 0.0000 H 0 0 0
- -6.7752 -0.6897 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 7 13 2 0
- 8 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 15 18 2 0
- 17 19 1 0
- 18 20 1 0
- 6 7 1 0
- 9 11 1 0
- 14 17 2 0
- 16 18 1 0
- 8 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 19 27 1 0
- 20 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14925-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- -0.7319 0.7447 -0.0016 C 0 0 0
- -1.9902 -0.0025 0.0013 C 0 0 0
- -0.7482 2.0797 0.0003 C 0 0 0
- 0.9172 -0.1807 0.0001 Br 0 0 0
- -1.9753 -1.2156 -0.0004 O 0 0 0
- -2.9054 0.5110 0.0000 H 0 0 0
- 0.1542 2.6155 0.0000 H 0 0 0
- -1.6634 2.5933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27113-22-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 46 1 V2000
- 2.6529 0.5582 -0.4639 C 0 0 0
- 3.3692 -0.6225 -0.3928 C 0 0 0
- 3.2205 1.7416 -0.0307 C 0 0 0
- 1.2526 0.5557 -1.0208 C 0 0 0
- 4.6586 -0.6209 0.1135 C 0 0 0
- 4.5072 1.7502 0.4758 C 0 0 0
- 0.2534 0.3157 0.1128 C 0 0 0
- 5.2303 0.5709 0.5498 C 0 0 0
- 5.3643 -1.7813 0.1845 O 0 0 0
- -1.1469 0.3131 -0.4441 C 0 0 0
- 6.4958 0.5776 1.0476 O 0 0 0
- 4.5182 -2.8114 -0.3303 C 0 0 0
- -2.3224 0.0956 0.4736 C 0 0 0
- -1.3272 0.4854 -1.6256 O 0 0 0
- -3.6183 0.1393 -0.3385 C 0 0 0
- -4.8117 -0.0816 0.5931 C 0 0 0
- -6.1076 -0.0378 -0.2190 C 0 0 0
- -7.3010 -0.2587 0.7127 C 0 0 0
- -8.5969 -0.2149 -0.0994 C 0 0 0
- -9.7903 -0.4358 0.8323 C 0 0 0
- 2.8927 -1.4702 0.0000 H 0 0 0
- 2.6997 2.5629 0.0000 H 0 0 0
- 1.6702 1.4340 0.0000 H 0 0 0
- 0.6401 1.3110 0.0000 H 0 0 0
- 4.9794 2.6003 0.0000 H 0 0 0
- -0.1641 -0.5626 0.0000 H 0 0 0
- 0.8659 -0.4396 0.0000 H 0 0 0
- 7.4683 0.5827 0.0000 H 0 0 0
- 3.7667 -2.1942 0.0000 H 0 0 0
- 3.9010 -3.5629 0.0000 H 0 0 0
- 5.2697 -3.4286 0.0000 H 0 0 0
- -2.7759 -0.7647 0.0000 H 0 0 0
- -1.7461 -0.6877 0.0000 H 0 0 0
- -3.1649 0.9996 0.0000 H 0 0 0
- -4.1947 0.9226 0.0000 H 0 0 0
- -5.2652 -0.9419 0.0000 H 0 0 0
- -4.2354 -0.8649 0.0000 H 0 0 0
- -5.6541 0.8225 0.0000 H 0 0 0
- -6.6839 0.7455 0.0000 H 0 0 0
- -7.7545 -1.1190 0.0000 H 0 0 0
- -6.7247 -1.0420 0.0000 H 0 0 0
- -8.1434 0.6454 0.0000 H 0 0 0
- -9.1732 0.5684 0.0000 H 0 0 0
- -9.9673 0.5204 0.0000 H 0 0 0
- -10.7465 -0.6128 0.0000 H 0 0 0
- -9.6133 -1.3920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 6 8 2 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 20 45 1 0
- 20 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-118-56-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 1.0335 0.2749 -0.2322 C 0 0 0
- 0.0001 -0.4920 0.1673 O 0 0 0
- 0.8249 1.3128 -0.8286 O 0 0 0
- 2.4168 -0.1422 0.0596 C 0 0 0
- -1.3628 -0.0782 -0.1149 C 0 0 0
- 3.4971 0.5911 -0.4510 C 0 0 0
- 2.6594 -1.2679 0.8518 C 0 0 0
- -2.2490 -1.3153 -0.2731 C 0 0 0
- -1.8849 0.7789 1.0400 C 0 0 0
- 3.2745 1.6889 -1.2161 O 0 0 0
- 4.7945 0.1892 -0.1699 C 0 0 0
- 3.9547 -1.6523 1.1206 C 0 0 0
- -3.6851 -0.8792 -0.5705 C 0 0 0
- -3.3210 1.2150 0.7426 C 0 0 0
- 5.0195 -0.9280 0.6092 C 0 0 0
- -3.7127 -0.0631 -1.8643 C 0 0 0
- -4.5713 -2.1163 -0.7288 C 0 0 0
- -4.2072 -0.0221 0.5844 C 0 0 0
- -3.8432 2.0720 1.8975 C 0 0 0
- -0.7671 0.6906 0.0000 H 0 0 0
- 1.9460 -1.9289 0.0000 H 0 0 0
- -2.6311 -2.2096 0.0000 H 0 0 0
- -1.4015 -1.7924 0.0000 H 0 0 0
- -0.9467 1.0350 0.0000 H 0 0 0
- -1.8711 1.7514 0.0000 H 0 0 0
- 3.0812 2.6421 0.0000 H 0 0 0
- 5.5162 0.8411 0.0000 H 0 0 0
- 4.1043 -2.6133 0.0000 H 0 0 0
- -2.7253 1.9838 0.0000 H 0 0 0
- 5.9200 -1.2954 0.0000 H 0 0 0
- -2.7407 -0.0302 0.0000 H 0 0 0
- -3.7456 0.9089 0.0000 H 0 0 0
- -4.6847 -0.0960 0.0000 H 0 0 0
- -5.3619 -1.5499 0.0000 H 0 0 0
- -5.1377 -2.9069 0.0000 H 0 0 0
- -3.7807 -2.6827 0.0000 H 0 0 0
- -4.9151 0.6448 0.0000 H 0 0 0
- -4.9627 -0.6345 0.0000 H 0 0 0
- -3.0127 2.5781 0.0000 H 0 0 0
- -4.3493 2.9025 0.0000 H 0 0 0
- -4.6737 1.5659 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 6 1 0
- 12 7 2 0
- 13 8 1 0
- 14 9 1 0
- 15 11 2 0
- 16 13 1 0
- 17 13 1 0
- 18 13 1 0
- 19 14 1 0
- 12 15 1 0
- 14 18 1 0
- 5 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 5.6191 -0.0143 -0.0011 C 0 0 0
- 4.3279 0.7627 -0.0001 C 0 0 0
- 6.7935 0.6356 -0.0005 O 0 0 0
- 5.5972 -1.2224 0.0026 O 0 0 0
- 3.1471 -0.2103 -0.0010 C 0 0 0
- 1.8362 0.5786 0.0000 C 0 0 0
- 0.6555 -0.3944 -0.0009 C 0 0 0
- -0.6555 0.3944 0.0001 C 0 0 0
- -1.8362 -0.5786 -0.0009 C 0 0 0
- -3.1471 0.2103 0.0001 C 0 0 0
- -4.3279 -0.7627 -0.0008 C 0 0 0
- -5.6191 0.0143 0.0002 C 0 0 0
- -6.7935 -0.6356 -0.0004 O 0 0 0
- -5.5972 1.2224 0.0015 O 0 0 0
- 5.0269 1.6727 0.0000 H 0 0 0
- 3.5028 1.5601 0.0000 H 0 0 0
- 7.7975 1.1912 0.0000 H 0 0 0
- 2.4481 -1.1203 0.0000 H 0 0 0
- 3.9722 -1.0077 0.0000 H 0 0 0
- 2.5352 1.4886 0.0000 H 0 0 0
- 1.0110 1.3760 0.0000 H 0 0 0
- -0.0434 -1.3044 0.0000 H 0 0 0
- 1.4807 -1.1917 0.0000 H 0 0 0
- 0.0434 1.3044 0.0000 H 0 0 0
- -1.4807 1.1917 0.0000 H 0 0 0
- -2.5352 -1.4886 0.0000 H 0 0 0
- -1.0110 -1.3760 0.0000 H 0 0 0
- -2.4481 1.1203 0.0000 H 0 0 0
- -3.9722 1.0077 0.0000 H 0 0 0
- -5.0269 -1.6727 0.0000 H 0 0 0
- -3.5028 -1.5601 0.0000 H 0 0 0
- -7.7975 -1.1912 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 13 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89784-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 3.8878 0.2501 -0.4286 C 0 0 2
- 2.5884 1.0560 -0.3744 C 0 0 0
- 4.0379 -0.5182 0.8098 N 0 0 0
- 5.0558 1.1900 -0.5812 C 0 0 0
- 1.1855 -0.0730 -0.1909 S 0 0 0
- 4.6938 -1.6955 0.7971 C 0 0 0
- 6.2535 0.8604 -0.0727 O 0 0 0
- 4.9142 2.2404 -1.1614 O 0 0 0
- -0.4538 0.5665 -0.0990 C 0 0 0
- 4.8482 -2.4858 2.0709 C 0 0 0
- 5.1598 -2.1189 -0.2395 O 0 0 0
- -1.4946 -0.2711 0.0371 C 0 0 0
- -0.7234 2.2793 -0.1844 Cl 0 0 0
- -2.8425 0.2641 0.2660 C 0 0 0
- -1.2463 -1.9866 -0.0576 Cl 0 0 0
- -3.9113 -0.4193 -0.1491 C 0 0 0
- -3.0462 1.7858 1.0764 Cl 0 0 0
- -5.5055 0.1188 0.2784 Cl 0 0 0
- -3.7072 -1.8463 -1.1165 Cl 0 0 0
- 2.9954 -0.3660 0.0000 H 0 0 0
- 3.2600 1.9075 0.0000 H 0 0 0
- 1.8178 1.8190 0.0000 H 0 0 0
- 3.0195 -0.8907 0.0000 H 0 0 0
- 7.2991 0.5727 0.0000 H 0 0 0
- 3.7839 -2.6937 0.0000 H 0 0 0
- 5.0561 -3.5501 0.0000 H 0 0 0
- 5.9125 -2.2779 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 9 12 2 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 16 19 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 7 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22608-53-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.1146 -0.3960 0.3060 P 0 0 0
- -0.2597 -1.7725 -0.5164 O 0 0 0
- 1.9219 0.1920 0.3458 S 0 0 0
- -1.2679 1.1140 -0.6343 S 0 0 0
- -0.5977 -0.5954 1.6907 O 0 0 0
- -1.6586 -2.0435 -0.6245 C 0 0 0
- 2.2751 0.2247 -1.4331 C 0 0 0
- -0.9248 2.5084 0.4740 C 0 0 0
- -1.8618 -0.9943 0.0000 H 0 0 0
- -2.7078 -2.2467 0.0000 H 0 0 0
- -1.4554 -3.0927 0.0000 H 0 0 0
- 2.3736 -0.8394 0.0000 H 0 0 0
- 3.3392 0.3232 0.0000 H 0 0 0
- 2.1766 1.2888 0.0000 H 0 0 0
- 0.1129 2.2531 0.0000 H 0 0 0
- -0.6695 3.5461 0.0000 H 0 0 0
- -1.9625 2.7637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-617-48-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.4702 0.2721 -0.3549 C 0 0 2
- -0.5348 -0.6729 0.3068 C 0 0 0
- 1.8712 -0.1974 -0.0591 C 0 0 0
- 0.2919 1.5932 0.1597 O 0 0 0
- -1.9359 -0.2034 0.0109 C 0 0 0
- 2.2669 -1.4184 -0.4520 O 0 0 0
- 2.6384 0.5252 0.5319 O 0 0 0
- -2.9876 -0.8839 0.4931 O 0 0 0
- -2.1125 0.7856 -0.6604 O 0 0 0
- -0.4545 0.6003 0.0000 H 0 0 0
- -0.9945 -1.5398 0.0000 H 0 0 0
- 0.2452 -1.2682 0.0000 H 0 0 0
- 0.1607 2.5656 0.0000 H 0 0 0
- 2.5694 -2.3518 0.0000 H 0 0 0
- -3.8114 -1.4169 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2397-76-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 2.3653 -0.0905 0.0000 C 0 0 0
- 1.1042 0.7758 0.0000 C 0 0 0
- 2.3773 -0.9737 1.2492 C 0 0 0
- 2.3773 -0.9737 -1.2492 C 0 0 0
- 3.6024 0.8098 0.0000 C 0 0 0
- -0.0698 -0.0786 0.0000 O 0 0 0
- -1.3017 0.4687 0.0000 C 0 0 0
- -2.4899 -0.3960 0.0000 C 0 0 0
- -1.4297 1.6773 0.0000 O 0 0 0
- -2.3312 -1.8946 0.0000 C 0 0 0
- -3.7061 0.1444 0.0000 C 0 0 0
- 1.7927 1.5685 0.0000 H 0 0 0
- 0.3944 1.5495 0.0000 H 0 0 0
- 1.3274 -0.9880 0.0000 H 0 0 0
- 2.3916 -2.0236 0.0000 H 0 0 0
- 3.4272 -0.9594 0.0000 H 0 0 0
- 1.3274 -0.9880 0.0000 H 0 0 0
- 2.3916 -2.0236 0.0000 H 0 0 0
- 3.4272 -0.9594 0.0000 H 0 0 0
- 4.2202 -0.0392 0.0000 H 0 0 0
- 4.4514 1.4276 0.0000 H 0 0 0
- 2.9846 1.6588 0.0000 H 0 0 0
- -3.3754 -2.0052 0.0000 H 0 0 0
- -2.2206 -2.9388 0.0000 H 0 0 0
- -1.2870 -1.7840 0.0000 H 0 0 0
- -3.8166 1.1886 0.0000 H 0 0 0
- -4.5551 -0.4734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 1 0
- 8 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 5 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13707-88-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 41 1 V2000
- -1.9031 -0.4763 -0.0732 C 0 0 0
- -3.1855 0.0027 -0.2992 C 0 0 0
- -0.8333 0.3501 -0.2132 O 0 0 0
- -1.7152 -1.7986 0.3016 C 0 0 0
- -4.2711 -0.8392 -0.1563 C 0 0 0
- -3.3938 1.4404 -0.7000 C 0 0 0
- 0.3295 -0.4258 0.0833 C 0 0 0
- -2.8048 -2.6352 0.4488 C 0 0 0
- -4.0807 -2.1585 0.2118 C 0 0 0
- -3.5677 2.2860 0.5353 C 0 0 0
- 1.5762 0.4501 -0.0565 C 0 0 0
- -2.7329 3.2650 0.7817 C 0 0 0
- 2.8212 -0.3806 0.2610 C 0 0 0
- 1.6626 0.9456 -1.3940 O 0 0 0
- 4.0182 0.4604 0.1267 N 0 0 0
- 5.1713 -0.3930 0.4433 C 0 0 0
- 5.6775 -1.0617 -0.8364 C 0 0 0
- 6.2872 0.4614 1.0480 C 0 0 0
- -0.7629 -2.1872 0.0000 H 0 0 0
- -5.2247 -0.4540 0.0000 H 0 0 0
- -2.4313 1.0780 0.0000 H 0 0 0
- -2.6117 2.1083 0.0000 H 0 0 0
- -0.3423 -1.2046 0.0000 H 0 0 0
- 1.0198 -1.1882 0.0000 H 0 0 0
- -2.6525 -3.6524 0.0000 H 0 0 0
- -4.8815 -2.8038 0.0000 H 0 0 0
- -4.5638 2.5421 0.0000 H 0 0 0
- 0.7078 1.0012 0.0000 H 0 0 0
- -1.7215 3.0784 0.0000 H 0 0 0
- -3.0770 4.2342 0.0000 H 0 0 0
- 2.1495 -1.1594 0.0000 H 0 0 0
- 3.5115 -1.1430 0.0000 H 0 0 0
- 1.8393 1.9588 0.0000 H 0 0 0
- 4.0309 1.4888 0.0000 H 0 0 0
- 4.4480 -1.1242 0.0000 H 0 0 0
- 4.8575 -1.6825 0.0000 H 0 0 0
- 6.2983 -1.8817 0.0000 H 0 0 0
- 6.4975 -0.4409 0.0000 H 0 0 0
- 6.9125 -0.3552 0.0000 H 0 0 0
- 7.1038 1.0867 0.0000 H 0 0 0
- 5.6619 1.2780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 10 12 2 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 1 0
- 8 9 2 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 18 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-602-38-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.7233 0.0002 0.0020 C 0 0 0
- -0.0350 -1.2220 0.0823 C 0 0 0
- -0.0340 1.2223 -0.0800 C 0 0 0
- -2.1408 0.0005 -0.0021 C 0 0 0
- 1.4451 -1.2438 0.0822 N 0 3 0
- -0.7364 -2.3861 0.1605 C 0 0 0
- 1.4461 1.2428 -0.0828 N 0 3 0
- -0.7344 2.3866 -0.1563 C 0 0 0
- -2.8301 -1.2215 0.0736 C 0 0 0
- -2.8293 1.2231 -0.0823 C 0 0 0
- 2.0456 -1.8212 -0.8063 O 0 0 0
- 2.0624 -0.6842 0.9707 O 0 5 0
- -2.1297 -2.3854 0.1623 C 0 0 0
- 2.0489 1.8220 0.8031 O 0 0 0
- 2.0613 0.6806 -0.9711 O 0 5 0
- -2.1282 2.3872 -0.1545 C 0 0 0
- -0.2226 -3.2960 0.0000 H 0 0 0
- -0.2199 3.2961 0.0000 H 0 0 0
- -3.8750 -1.2362 0.0000 H 0 0 0
- -3.8742 1.2384 0.0000 H 0 0 0
- -2.6442 -3.2949 0.0000 H 0 0 0
- -2.6421 3.2971 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 13 1 0
- 10 16 2 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 13 21 1 0
- 16 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33089-36-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 49 1 V2000
- -4.1145 1.2292 0.1004 C 0 0 0
- -4.1489 -0.2001 -0.4444 C 0 0 0
- -2.7664 1.7032 0.1095 O 0 0 0
- -3.2659 -1.0229 0.3207 O 0 0 0
- -2.8209 3.1088 -0.1418 C 0 0 0
- -3.3467 -2.3391 -0.2298 C 0 0 0
- -1.5706 3.7783 0.4321 C 0 0 0
- -2.3297 -3.2461 0.4657 C 0 0 0
- -0.4291 3.3943 -0.3370 O 0 0 0
- -1.2800 -3.5727 -0.4474 O 0 0 0
- 0.6911 4.0942 0.2082 C 0 0 0
- -0.2147 -4.1252 0.3284 C 0 0 0
- 1.9797 3.5682 -0.4274 C 0 0 0
- 1.1182 -3.8625 -0.3755 C 0 0 0
- 2.4411 2.4302 0.3033 O 0 0 0
- 1.8346 -2.8444 0.3261 O 0 0 0
- 3.6749 2.0274 -0.2946 C 0 0 0
- 3.1359 -2.7757 -0.2604 C 0 0 0
- 4.1315 0.7031 0.3208 C 0 0 0
- 3.8937 -1.5792 0.3185 C 0 0 0
- 3.4064 -0.3743 -0.2754 O 0 0 0
- -4.3278 2.1949 0.0000 H 0 0 0
- -5.0989 1.1338 0.0000 H 0 0 0
- -5.1031 0.0600 0.0000 H 0 0 0
- -4.6301 -1.0642 0.0000 H 0 0 0
- -3.1513 4.0410 0.0000 H 0 0 0
- -3.7922 2.9223 0.0000 H 0 0 0
- -4.2962 -2.0623 0.0000 H 0 0 0
- -3.8260 -3.2042 0.0000 H 0 0 0
- -1.0319 4.6077 0.0000 H 0 0 0
- -2.2398 4.5065 0.0000 H 0 0 0
- -3.2154 -3.6862 0.0000 H 0 0 0
- -2.2509 -4.2320 0.0000 H 0 0 0
- 1.2461 4.9128 0.0000 H 0 0 0
- 0.0050 4.8065 0.0000 H 0 0 0
- -0.9086 -4.8299 0.0000 H 0 0 0
- 0.2541 -4.9960 0.0000 H 0 0 0
- 2.9607 3.6941 0.0000 H 0 0 0
- 2.1079 4.5489 0.0000 H 0 0 0
- 1.0444 -4.8488 0.0000 H 0 0 0
- 2.0493 -4.1960 0.0000 H 0 0 0
- 4.6572 2.1420 0.0000 H 0 0 0
- 3.7733 3.0115 0.0000 H 0 0 0
- 2.9851 -3.7532 0.0000 H 0 0 0
- 4.0619 -3.1230 0.0000 H 0 0 0
- 4.8150 -0.0118 0.0000 H 0 0 0
- 4.9760 1.2179 0.0000 H 0 0 0
- 4.6024 -2.2690 0.0000 H 0 0 0
- 4.7146 -1.0276 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 21 1 0
- 1 22 1 0
- 1 23 1 0
- 2 24 1 0
- 2 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 14 41 1 0
- 17 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 20 48 1 0
- 20 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-43-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.5978 -0.2629 0.0023 C 0 0 0
- 0.3432 -1.2993 0.0012 C 0 0 0
- -0.1281 1.0554 0.0015 C 0 0 0
- -2.0469 -0.5528 -0.0018 C 0 0 0
- 1.6856 -0.9834 -0.0006 C 0 0 0
- 1.2330 1.2803 -0.0003 C 0 0 0
- -2.9222 0.4431 -0.0007 C 0 0 0
- 2.0860 0.2739 -0.0013 N 0 0 0
- 0.0363 -2.2872 0.0000 H 0 0 0
- -0.7915 1.8492 0.0000 H 0 0 0
- -2.3784 -1.5327 0.0000 H 0 0 0
- 2.3883 -1.7426 0.0000 H 0 0 0
- 1.5896 2.2514 0.0000 H 0 0 0
- -2.5907 1.4230 0.0000 H 0 0 0
- -3.9366 0.2402 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 8 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-299-88-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 64 1 V2000
- -1.8602 -1.6748 -0.2515 C 0 0 0
- -3.4565 -2.4051 -0.0995 S 0 0 0
- -0.8747 -2.3489 -0.8300 C 0 0 0
- -1.6159 -0.2822 0.2700 C 0 0 0
- -4.7653 -1.5099 0.6688 C 0 0 0
- 0.0922 -1.6701 -1.5757 N 0 0 0
- -0.7983 -3.8467 -0.6827 C 0 0 0
- -2.3677 0.7273 -0.5999 C 0 0 0
- -6.1041 -2.1224 0.7962 C 0 0 0
- -4.5668 -0.3878 1.0942 O 0 0 0
- 1.3407 -1.5265 -1.0887 C 0 0 0
- -2.1324 2.0691 -0.0974 O 0 0 0
- -7.1431 -1.4160 1.4043 C 0 0 0
- -6.3369 -3.4080 0.3038 C 0 0 0
- 2.4201 -0.9216 -1.9489 C 0 0 0
- 1.5955 -1.8842 0.0422 O 0 0 0
- -2.6980 3.1268 -0.7106 C 0 0 0
- -8.3908 -1.9935 1.5197 C 0 0 0
- -7.5889 -3.9736 0.4257 C 0 0 0
- 3.7121 -0.8744 -1.1745 C 0 0 0
- -2.4586 4.4919 -0.1993 C 0 0 0
- -3.4050 2.9580 -1.6838 O 0 0 0
- -8.6133 -3.2698 1.0343 C 0 0 0
- 4.0406 0.2383 -0.3977 C 0 0 0
- 4.5982 -1.9332 -1.2109 C 0 0 0
- -3.0435 5.5906 -0.8325 C 0 0 0
- -1.6513 4.6890 0.9225 C 0 0 0
- 5.1906 0.2399 0.2702 N 0 0 0
- 3.1825 1.3235 -0.3243 N 0 0 0
- 5.7252 -1.8573 -0.5173 N 0 0 0
- -2.8161 6.8624 -0.3497 C 0 0 0
- -1.4322 5.9666 1.3949 C 0 0 0
- 6.0090 -0.7903 0.2023 C 0 0 0
- -2.0105 7.0510 0.7596 C 0 0 0
- 7.3028 -0.7501 0.9740 C 0 0 0
- 15.9754 -0.3595 1.0944 Cl 0 0 0
- -0.7563 -0.6723 0.0000 H 0 0 0
- -1.0235 0.4528 0.0000 H 0 0 0
- -0.2433 -0.7877 0.0000 H 0 0 0
- -1.7411 -3.8948 0.0000 H 0 0 0
- -0.7502 -4.7895 0.0000 H 0 0 0
- 0.1445 -3.7986 0.0000 H 0 0 0
- -3.2274 1.1174 0.0000 H 0 0 0
- -2.9601 -0.0077 0.0000 H 0 0 0
- -7.0660 -0.4751 0.0000 H 0 0 0
- -5.5928 -3.9889 0.0000 H 0 0 0
- 2.7251 -0.0282 0.0000 H 0 0 0
- 1.6947 -0.3174 0.0000 H 0 0 0
- -9.1395 -1.4185 0.0000 H 0 0 0
- -7.6726 -4.9139 0.0000 H 0 0 0
- -9.4835 -3.6358 0.0000 H 0 0 0
- 4.2277 -2.8015 0.0000 H 0 0 0
- -3.9760 5.4438 0.0000 H 0 0 0
- -0.9610 4.0451 0.0000 H 0 0 0
- 3.5310 2.2008 0.0000 H 0 0 0
- 2.2485 1.1867 0.0000 H 0 0 0
- -3.5011 7.5120 0.0000 H 0 0 0
- -0.5002 6.1170 0.0000 H 0 0 0
- -1.6209 7.9109 0.0000 H 0 0 0
- 7.3321 -1.6937 0.0000 H 0 0 0
- 8.2464 -0.7208 0.0000 H 0 0 0
- 7.2735 0.1935 0.0000 H 0 0 0
- 16.9194 -0.3595 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 2 0
- 15 20 1 0
- 17 21 1 0
- 17 22 2 0
- 18 23 2 0
- 20 24 2 0
- 20 25 1 0
- 21 26 1 0
- 21 27 2 0
- 24 28 1 0
- 24 29 1 0
- 25 30 2 0
- 26 31 2 0
- 27 32 1 0
- 28 33 2 0
- 31 34 1 0
- 33 35 1 0
- 19 23 1 0
- 30 33 1 0
- 32 34 2 0
- 4 37 1 0
- 4 38 1 0
- 6 39 1 0
- 7 40 1 0
- 7 41 1 0
- 7 42 1 0
- 8 43 1 0
- 8 44 1 0
- 13 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 18 49 1 0
- 19 50 1 0
- 23 51 1 0
- 25 52 1 0
- 26 53 1 0
- 27 54 1 0
- 29 55 1 0
- 29 56 1 0
- 31 57 1 0
- 32 58 1 0
- 34 59 1 0
- 35 60 1 0
- 35 61 1 0
- 35 62 1 0
- 36 63 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61740-00-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 1.5018 0.2292 0.2528 C 0 0 0
- 0.1358 0.4445 0.2312 C 0 0 0
- 2.6713 1.1811 0.4000 C 0 0 1
- 2.0231 -1.0513 0.1320 C 0 0 0
- -0.7379 -0.6495 0.0929 C 0 0 0
- -0.3670 1.6943 0.3406 O 0 0 0
- 3.8432 0.2009 0.7208 C 0 0 1
- 3.0684 1.6863 -0.9745 C 0 0 0
- 1.1538 -2.1386 0.0020 C 0 0 0
- 3.3829 -1.0330 0.1487 O 0 0 0
- -2.1395 -0.4289 0.0675 C 0 0 0
- -0.2112 -1.9484 -0.0174 C 0 0 0
- -1.6923 1.9093 0.3156 C 0 0 0
- 4.8913 0.7263 -0.1161 O 0 0 0
- 4.3314 1.3725 -1.1630 C 0 0 0
- -2.6056 0.8410 0.1778 C 0 0 0
- -3.2911 -1.3999 -0.0670 C 0 0 0
- -1.0445 -3.0121 -0.1423 O 0 0 0
- -2.1148 3.0475 0.4143 O 0 0 0
- -4.1184 0.8450 0.1262 C 0 0 2
- -4.5341 -0.6153 0.4065 C 0 0 0
- -0.2192 -4.1752 -0.2314 C 0 0 0
- -4.5493 1.2198 -1.1838 O 0 0 0
- 1.9319 1.9080 0.0000 H 0 0 0
- 4.6148 -0.4918 0.0000 H 0 0 0
- 2.7319 2.6671 0.0000 H 0 0 0
- 1.5374 -3.1019 0.0000 H 0 0 0
- 4.8735 2.2564 0.0000 H 0 0 0
- -3.9313 -2.2156 0.0000 H 0 0 0
- -2.5452 -2.1201 0.0000 H 0 0 0
- -3.7538 1.8157 0.0000 H 0 0 0
- -5.4999 -0.2379 0.0000 H 0 0 0
- -5.0017 -1.5408 0.0000 H 0 0 0
- -1.0649 -4.7752 0.0000 H 0 0 0
- 0.3808 -5.0209 0.0000 H 0 0 0
- 0.6265 -3.5752 0.0000 H 0 0 0
- -5.3317 1.9003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 11 16 2 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 7 10 1 0
- 9 12 2 0
- 13 16 1 0
- 14 15 1 0
- 20 21 1 0
- 3 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 20 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1928-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.1010 -0.0583 -0.0036 C 0 0 0
- -1.1004 -1.0215 -0.0015 C 0 0 0
- -0.4373 1.2873 -0.0036 C 0 0 0
- 1.2058 -0.4333 0.0001 O 0 0 0
- -2.4286 -0.6376 0.0006 C 0 0 0
- -0.6831 -2.7066 -0.0008 Cl 0 0 0
- -1.7658 1.6666 -0.0016 C 0 0 0
- 1.9801 0.7677 -0.0033 C 0 0 0
- -2.7611 0.7053 0.0005 C 0 0 0
- 3.4464 0.4200 0.0005 C 0 0 0
- -4.4295 1.1851 0.0024 Cl 0 0 0
- 4.3677 1.3962 -0.0018 O 0 0 0
- 3.7928 -0.7375 0.0056 O 0 0 0
- 5.7805 1.0612 0.0019 C 0 0 0
- 0.3095 2.0097 0.0000 H 0 0 0
- -3.1774 -1.3580 0.0000 H 0 0 0
- -2.0178 2.6746 0.0000 H 0 0 0
- 2.3326 1.7451 0.0000 H 0 0 0
- 1.0488 1.2284 0.0000 H 0 0 0
- 5.5408 0.0502 0.0000 H 0 0 0
- 6.7915 0.8215 0.0000 H 0 0 0
- 6.0202 2.0722 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 7 9 1 0
- 3 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-33-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.7682 0.3389 -0.0024 C 0 0 0
- 1.3633 -1.0100 -0.0006 C 0 0 0
- 1.8991 1.2662 0.0012 C 0 0 0
- -0.5729 0.6948 -0.0015 C 0 0 0
- 0.7004 -2.2413 -0.0023 C 0 0 0
- 2.7569 -0.8406 0.0037 C 0 0 0
- 3.0699 0.4804 0.0048 C 0 0 0
- 1.8317 2.6721 0.0003 C 0 0 0
- -1.6822 -0.1623 0.0009 C 0 0 0
- -0.6671 -2.4696 -0.0066 C 0 0 0
- 1.5774 -3.4668 0.0002 C 0 0 0
- 0.7514 3.2287 -0.0037 O 0 0 0
- -1.7070 -1.5600 0.0024 C 0 0 0
- -3.0008 0.4998 0.0013 C 0 0 0
- -4.2598 -0.3284 0.0038 C 0 0 0
- -3.0781 1.8252 -0.0004 C 0 0 0
- -0.7810 1.7254 0.0000 H 0 0 0
- 3.4577 -1.6244 0.0000 H 0 0 0
- 4.0488 0.8640 0.0000 H 0 0 0
- 2.7160 3.2408 0.0000 H 0 0 0
- -0.9542 -3.4810 0.0000 H 0 0 0
- 0.7224 -4.0787 0.0000 H 0 0 0
- 2.1893 -4.3218 0.0000 H 0 0 0
- 2.4324 -2.8549 0.0000 H 0 0 0
- -2.6682 -1.9860 0.0000 H 0 0 0
- -4.8376 0.5500 0.0000 H 0 0 0
- -5.1382 -0.9062 0.0000 H 0 0 0
- -3.6820 -1.2068 0.0000 H 0 0 0
- -2.1997 2.4030 0.0000 H 0 0 0
- -4.0177 2.2970 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 8 12 2 0
- 9 13 2 0
- 9 14 1 0
- 14 15 1 0
- 14 16 2 0
- 6 7 1 0
- 10 13 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-36-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.5677 -0.0031 0.0016 C 0 0 0
- 1.3461 -1.2935 -0.0006 C 0 0 0
- 1.1513 1.0543 -0.0004 O 0 0 0
- -1.1680 -0.0365 -0.0002 Cl 0 0 0
- 0.3783 -1.8773 0.0000 H 0 0 0
- 1.9299 -2.2613 0.0000 H 0 0 0
- 2.3139 -0.7097 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-621-52-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -2.2710 -0.8601 0.0000 O 0 0 0
- -3.4002 0.0156 0.0011 C 0 0 0
- -1.1633 -0.0727 0.0012 C 0 0 0
- -4.6872 -0.8118 -0.0001 C 0 0 0
- 0.0985 -0.6488 0.0005 C 0 0 0
- -1.2927 1.3087 -0.0028 C 0 0 0
- 1.2231 0.1539 0.0012 C 0 0 0
- -0.1654 2.1068 -0.0020 C 0 0 0
- 2.5698 -0.4601 -0.0001 N 0 3 0
- 1.0915 1.5300 0.0026 C 0 0 0
- 3.5615 0.2470 0.0006 O 0 0 0
- 2.6863 -1.6725 -0.0017 O 0 5 0
- -2.6762 0.7580 0.0000 H 0 0 0
- -4.0560 0.8189 0.0000 H 0 0 0
- -5.2480 0.0605 0.0000 H 0 0 0
- -5.5595 -1.3726 0.0000 H 0 0 0
- -4.1264 -1.6841 0.0000 H 0 0 0
- 0.1977 -1.6810 0.0000 H 0 0 0
- -2.2350 1.7416 0.0000 H 0 0 0
- -0.2616 3.1393 0.0000 H 0 0 0
- 1.9367 2.1308 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 1 0
- 10 7 2 0
- 11 9 2 0
- 12 9 1 0
- 8 10 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-693-98-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.6997 -0.0008 0.0019 C 0 0 0
- 0.0950 -1.0927 0.0008 N 0 0 0
- 0.0535 1.0648 0.0008 N 0 0 0
- -2.2067 -0.0113 -0.0018 C 0 0 0
- 1.3904 -0.6506 -0.0010 C 0 0 0
- 1.3428 0.6953 -0.0009 C 0 0 0
- -0.2101 -2.0571 0.0000 H 0 0 0
- -2.2137 1.0001 0.0000 H 0 0 0
- -3.2181 -0.0183 0.0000 H 0 0 0
- -2.1997 -1.0227 0.0000 H 0 0 0
- 2.2233 -1.2244 0.0000 H 0 0 0
- 2.1397 1.3183 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 6 2 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67730-11-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.6400 -0.6398 -0.0012 N 0 0 0
- -0.6914 -0.2797 -0.0006 C 0 0 0
- 1.3778 0.5193 -0.0005 C 0 0 0
- 1.2624 -1.8561 0.0027 C 0 0 0
- -0.7183 1.1262 0.0006 C 0 0 0
- -1.8233 -0.9707 -0.0008 N 0 0 0
- 0.5576 1.5585 0.0005 N 0 0 0
- 2.7884 0.4437 -0.0010 C 0 0 0
- 2.6085 -1.9407 0.0018 C 0 0 0
- -1.9583 1.7836 0.0010 C 0 0 0
- -2.9986 -0.3670 0.0000 C 0 0 0
- 3.3920 -0.7738 -0.0021 C 0 0 0
- 3.6169 1.7025 0.0003 C 0 0 0
- -3.0966 1.0250 0.0004 C 0 0 0
- -4.1603 -1.1335 -0.0007 N 0 0 0
- 0.6974 -2.7179 0.0000 H 0 0 0
- 3.0645 -2.8648 0.0000 H 0 0 0
- -2.0100 2.8128 0.0000 H 0 0 0
- 4.4203 -0.8413 0.0000 H 0 0 0
- 4.4777 1.1360 0.0000 H 0 0 0
- 4.1834 2.5633 0.0000 H 0 0 0
- 2.7561 2.2690 0.0000 H 0 0 0
- -4.0216 1.4791 0.0000 H 0 0 0
- -5.0819 -0.6724 0.0000 H 0 0 0
- -4.0989 -2.1622 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 11 15 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-565-20-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.4128 -0.7128 0.1223 C 0 0 0
- -1.1303 -1.5483 -0.0367 S 0 0 0
- 0.9323 -0.4564 1.3777 C 0 0 0
- 1.1046 -0.3199 -1.0091 C 0 0 0
- -2.3945 -0.3211 -0.0537 C 0 0 0
- -1.1283 -2.1185 -1.3383 O 0 0 0
- -1.3067 -2.2675 1.1761 O 0 0 0
- 2.1420 0.1980 1.5057 C 0 0 0
- 2.3144 0.3347 -0.8879 C 0 0 0
- -2.8048 0.2300 -1.2536 C 0 0 0
- -2.9782 0.0847 1.1327 C 0 0 0
- 2.8364 0.5984 0.3719 C 0 0 0
- -3.7955 1.1923 -1.2705 C 0 0 0
- -3.9692 1.0462 1.1230 C 0 0 0
- 4.0621 1.2615 0.4982 N 0 0 0
- -4.3798 1.6062 -0.0804 C 0 0 0
- 5.1517 0.7911 -0.1405 C 0 0 0
- -5.3817 2.5793 -0.0938 N 0 0 0
- 6.4380 1.5758 -0.1140 C 0 0 0
- 5.0970 -0.2638 -0.7365 O 0 0 0
- 1.2962 -1.1601 0.0000 H 0 0 0
- 0.7204 0.3730 0.0000 H 0 0 0
- 2.5284 -0.4936 0.0000 H 0 0 0
- 1.9472 1.0367 0.0000 H 0 0 0
- -2.2092 0.7524 0.0000 H 0 0 0
- -3.4818 -0.5269 0.0000 H 0 0 0
- -3.2890 1.8015 0.0000 H 0 0 0
- -4.5666 0.5258 0.0000 H 0 0 0
- 4.0271 2.0530 0.0000 H 0 0 0
- -5.1878 3.3475 0.0000 H 0 0 0
- -6.1439 2.3631 0.0000 H 0 0 0
- 6.8506 0.8995 0.0000 H 0 0 0
- 7.1143 1.9884 0.0000 H 0 0 0
- 6.0254 2.2521 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 2 0
- 9 12 1 0
- 14 16 1 0
- 3 21 1 0
- 4 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15088-70-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.7131 -0.5435 0.0000 C 0 0 0
- 0.6024 0.4117 0.0000 N 0 0 0
- 3.0204 0.2062 0.0000 C 0 0 0
- -0.6696 -0.0339 0.0000 C 0 0 0
- 4.1809 -0.4683 0.0000 O 0 0 0
- 3.0239 1.4145 0.0000 O 0 0 0
- -1.8122 0.9487 0.0000 C 0 0 0
- -0.8946 -1.2257 0.0000 O 0 0 0
- 5.4405 0.2541 0.0000 C 0 0 0
- -3.5176 -0.0295 0.0000 Br 0 0 0
- 6.6005 -0.7434 0.0000 C 0 0 0
- 0.9107 -1.2869 0.0000 H 0 0 0
- 2.3610 -1.4248 0.0000 H 0 0 0
- 0.8054 1.4866 0.0000 H 0 0 0
- -1.0098 1.6922 0.0000 H 0 0 0
- -2.4602 1.8300 0.0000 H 0 0 0
- 6.2429 0.9976 0.0000 H 0 0 0
- 4.7925 1.1354 0.0000 H 0 0 0
- 5.8873 -1.5728 0.0000 H 0 0 0
- 7.4299 -1.4566 0.0000 H 0 0 0
- 7.3137 0.0860 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 2 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 7 1 0
- 11 9 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-371-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 11 1 V2000
- -3.3052 -0.6884 -0.0934 C 0 0 0
- -4.2507 -1.1214 0.9541 C 0 0 0
- -2.8129 0.5524 -0.0767 O 0 0 0
- -2.9380 -1.5394 -1.0544 O 0 0 0
- -5.4809 -0.5775 1.0172 C 0 0 0
- -5.8371 0.5471 0.1301 C 0 0 0
- -4.9815 0.9513 -0.8116 O 0 0 0
- -7.0149 1.1602 0.2694 O 0 0 0
- 6.7778 -0.0555 0.0383 Na 0 3 0
- 15.4331 0.2342 0.0773 Na 0 3 0
- -4.2449 -2.0061 0.0000 H 0 0 0
- -6.1398 -1.1679 0.0000 H 0 0 0
- -2.5875 -2.3517 0.0000 H 0 0 0
- -7.7997 1.5687 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 5 6 1 0
- 6 7 2 0
- 6 8 1 0
- 2 11 1 0
- 5 12 1 0
- 4 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24496-65-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.2969 -0.2487 -0.0016 C 0 0 0
- -1.6739 0.0335 -0.0013 C 0 0 0
- 0.6144 0.8242 -0.0001 C 0 0 0
- 0.1699 -1.6327 0.0025 C 0 0 0
- -2.0944 1.3828 0.0005 C 0 0 0
- -2.6103 -1.0231 -0.0024 C 0 0 0
- 2.0410 0.5162 -0.0004 C 0 0 0
- 0.1102 2.1361 0.0021 C 0 0 0
- 1.5309 -1.8910 0.0027 C 0 0 0
- -0.8258 -2.7052 0.0070 C 0 0 0
- -1.1807 2.3670 0.0014 N 0 0 0
- -3.4691 1.6515 0.0008 C 0 0 0
- -2.1448 -2.4075 -0.0033 C 0 0 0
- -3.9708 -0.7096 -0.0020 C 0 0 0
- 2.4624 -0.8388 -0.0022 C 0 0 0
- 2.9985 1.5376 0.0006 C 0 0 0
- -4.3769 0.6133 -0.0007 C 0 0 0
- 3.8431 -1.1217 -0.0025 C 0 0 0
- 4.3252 1.2250 -0.0002 C 0 0 0
- 4.7446 -0.1031 -0.0011 C 0 0 0
- 0.7803 2.9474 0.0000 H 0 0 0
- 1.8712 -2.8867 0.0000 H 0 0 0
- -0.5146 -3.7104 0.0000 H 0 0 0
- -3.8097 2.6471 0.0000 H 0 0 0
- -2.8498 -3.1887 0.0000 H 0 0 0
- -4.6878 -1.4797 0.0000 H 0 0 0
- 2.6944 2.5450 0.0000 H 0 0 0
- -5.4060 0.8330 0.0000 H 0 0 0
- 4.1762 -2.1198 0.0000 H 0 0 0
- 5.0410 1.9962 0.0000 H 0 0 0
- 5.7739 -0.3217 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 17 1 0
- 19 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-346-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -0.4799 0.5030 -1.1047 C 0 0 0
- -1.0617 1.1938 -0.0552 C 0 0 0
- 0.6655 0.9510 -1.7626 N 0 0 0
- -1.0541 -0.6908 -1.5423 C 0 0 0
- -2.2133 0.7028 0.5387 C 0 0 0
- -0.3664 2.6902 0.5664 S 0 0 0
- 1.5381 1.9695 -1.1780 C 0 0 0
- -2.1980 -1.1763 -0.9427 C 0 0 0
- -2.7811 -0.4765 0.0991 C 0 0 0
- 0.6828 3.0537 -0.6654 N 0 0 0
- -1.3966 3.6683 0.5318 O 0 0 0
- 0.4263 2.3392 1.6923 O 0 0 0
- 2.3332 1.3578 -0.0228 C 0 0 0
- -2.9052 -2.6624 -1.4949 Cl 0 0 0
- -4.2454 -1.0897 0.8638 S 0 0 0
- 0.7562 4.4058 -1.2245 C 0 0 0
- 3.3404 -0.0174 -0.6434 S 0 0 0
- -5.4135 -1.1820 -0.3064 N 0 0 0
- -3.9572 -2.4325 1.2284 O 0 0 0
- -4.6719 -0.0687 1.7554 O 0 0 0
- 4.1493 -0.5350 0.8955 C 0 0 0
- 5.0765 -1.7183 0.6112 C 0 0 0
- 4.3293 -2.7830 0.0962 F 0 0 0
- 6.0477 -1.3364 -0.3205 F 0 0 0
- 5.7004 -2.1176 1.7981 F 0 0 0
- 1.2198 0.1706 0.0000 H 0 0 0
- -0.3933 -1.3834 0.0000 H 0 0 0
- -2.8745 1.3950 0.0000 H 0 0 0
- 2.2108 2.6505 0.0000 H 0 0 0
- 3.2708 1.5506 0.0000 H 0 0 0
- 2.5481 2.2906 0.0000 H 0 0 0
- 1.7120 4.3539 0.0000 H 0 0 0
- 0.8081 5.3616 0.0000 H 0 0 0
- -0.1996 4.4577 0.0000 H 0 0 0
- -5.9559 -0.3933 0.0000 H 0 0 0
- -5.8253 -2.0461 0.0000 H 0 0 0
- 5.0760 -0.2951 0.0000 H 0 0 0
- 4.2999 0.4103 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 1 0
- 15 19 2 0
- 15 20 2 0
- 17 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 22 25 1 0
- 7 10 1 0
- 8 9 2 0
- 3 26 1 0
- 4 27 1 0
- 5 28 1 0
- 7 29 1 0
- 13 30 1 0
- 13 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 18 35 1 0
- 18 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1761-71-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 1.2492 -0.0003 0.2314 C 0 0 0
- 0.0000 -0.0013 1.1148 C 0 0 0
- 2.0821 1.2486 0.5274 C 0 0 0
- 2.0821 -1.2498 0.5244 C 0 0 0
- -1.2492 -0.0003 0.2314 C 0 0 0
- 3.3313 1.2497 -0.3560 C 0 0 0
- 3.3313 -1.2488 -0.3589 C 0 0 0
- -2.0821 -1.2499 0.5244 C 0 0 0
- -2.0821 1.2486 0.5274 C 0 0 0
- 4.1641 0.0001 -0.0630 C 0 0 0
- -3.3313 -1.2488 -0.3589 C 0 0 0
- -3.3313 1.2496 -0.3560 C 0 0 0
- 5.3635 0.0011 -0.9111 N 0 0 0
- -4.1641 0.0001 -0.0630 C 0 0 0
- -5.3635 0.0011 -0.9111 N 0 0 0
- 0.7623 0.9089 0.0000 H 0 0 0
- -0.5159 -0.8943 0.0000 H 0 0 0
- 0.5159 -0.8943 0.0000 H 0 0 0
- 2.2824 2.2603 0.0000 H 0 0 0
- 1.1289 1.6424 0.0000 H 0 0 0
- 1.1291 -1.6440 0.0000 H 0 0 0
- 2.2835 -2.2613 0.0000 H 0 0 0
- -0.7623 0.9089 0.0000 H 0 0 0
- 4.2844 1.6439 0.0000 H 0 0 0
- 3.1299 2.2612 0.0000 H 0 0 0
- 3.1309 -2.2605 0.0000 H 0 0 0
- 4.2845 -1.6426 0.0000 H 0 0 0
- -2.2835 -2.2614 0.0000 H 0 0 0
- -1.1291 -1.6441 0.0000 H 0 0 0
- -1.1289 1.6425 0.0000 H 0 0 0
- -2.2825 2.2603 0.0000 H 0 0 0
- 4.6511 -0.9091 0.0000 H 0 0 0
- -4.2845 -1.6426 0.0000 H 0 0 0
- -3.1310 -2.2605 0.0000 H 0 0 0
- -3.1299 2.2611 0.0000 H 0 0 0
- -4.2844 1.6438 0.0000 H 0 0 0
- 5.8799 -0.8917 0.0000 H 0 0 0
- 5.8784 0.8947 0.0000 H 0 0 0
- -4.6511 -0.9091 0.0000 H 0 0 0
- -5.8784 0.8947 0.0000 H 0 0 0
- -5.8799 -0.8917 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 7 10 1 0
- 12 14 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.6055 -0.2500 0.0000 C 0 0 0
- -0.5265 0.7793 0.0000 C 0 0 0
- 1.9532 0.4741 0.0000 C 0 0 0
- -1.8232 0.0826 0.0000 C 0 0 0
- 3.0852 -0.5552 0.0000 C 0 0 0
- -2.8239 -0.4551 0.0000 N 0 0 0
- -0.2574 -1.0062 0.0000 H 0 0 0
- 1.2594 -1.1929 0.0000 H 0 0 0
- 0.3364 1.5356 0.0000 H 0 0 0
- -1.1804 1.7222 0.0000 H 0 0 0
- 2.8161 1.2303 0.0000 H 0 0 0
- 1.2993 1.4170 0.0000 H 0 0 0
- 2.3133 -1.4042 0.0000 H 0 0 0
- 3.9342 -1.3271 0.0000 H 0 0 0
- 3.8571 0.2938 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 3 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-68162-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.3822 1.3275 0.1667 C 0 0 0
- -1.0140 1.5059 0.0194 C 0 0 0
- 1.1160 0.3256 -0.3614 O 0 0 0
- 1.2374 2.1502 0.8712 C 0 0 0
- -1.8395 0.4282 0.0171 C 0 0 0
- 2.4004 0.4816 -0.0123 C 0 0 0
- 2.5190 1.5934 0.7474 C 0 0 0
- -1.3379 -0.8467 0.3626 C 0 0 0
- -3.2654 0.5888 -0.3474 N 0 3 0
- 3.5113 -0.4172 -0.3992 N 0 3 0
- -2.1184 -1.9394 0.2241 O 0 0 0
- -0.2021 -0.9597 0.7850 O 0 0 0
- -4.0060 -0.3781 -0.3495 O 0 0 0
- -3.6978 1.6878 -0.6452 O 0 5 0
- 4.6456 -0.1797 -0.0245 O 0 0 0
- 3.2909 -1.3943 -1.0923 O 0 5 0
- -1.3398 -3.0597 0.6490 C 0 0 0
- -1.3874 2.4015 0.0000 H 0 0 0
- 1.0655 3.1052 0.0000 H 0 0 0
- 3.3576 2.0817 0.0000 H 0 0 0
- -2.1366 -3.6135 0.0000 H 0 0 0
- -0.7860 -3.8565 0.0000 H 0 0 0
- -0.5430 -2.5059 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 8 12 2 0
- 9 13 2 0
- 9 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 6 7 2 0
- 2 18 1 0
- 4 19 1 0
- 7 20 1 0
- 17 21 1 0
- 17 22 1 0
- 17 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6257-64-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- -4.4942 -0.0202 0.0028 C 0 0 0
- -3.9498 -1.3007 0.0007 C 0 0 0
- -3.6605 1.0944 0.0038 C 0 0 0
- -5.8772 0.1468 -0.0019 N 0 0 0
- -2.5835 -1.4699 -0.0004 C 0 0 0
- -2.2935 0.9336 0.0027 C 0 0 0
- -6.4524 1.4942 0.0003 C 0 0 0
- -6.7565 -1.0250 -0.0090 C 0 0 0
- -1.7423 -0.3524 0.0006 C 0 0 0
- -0.3871 -0.5160 -0.0001 N 0 0 0
- 0.3871 0.5158 0.0008 N 0 0 0
- 1.7423 0.3522 0.0002 C 0 0 0
- 2.5837 1.4700 0.0012 C 0 0 0
- 2.2933 -0.9333 0.0043 C 0 0 0
- 3.9497 1.3010 0.0005 C 0 0 0
- 3.6607 -1.0942 0.0036 C 0 0 0
- 4.4942 0.0200 -0.0012 C 0 0 0
- 5.8772 -0.1469 -0.0024 N 0 0 0
- 6.4524 -1.4943 -0.0041 C 0 0 0
- 6.7565 1.0249 -0.0018 C 0 0 0
- -4.5783 -2.1343 0.0000 H 0 0 0
- -4.0725 2.0536 0.0000 H 0 0 0
- -2.1759 -2.4310 0.0000 H 0 0 0
- -1.6688 1.7700 0.0000 H 0 0 0
- -5.4923 1.9041 0.0000 H 0 0 0
- -6.8623 2.4543 0.0000 H 0 0 0
- -7.4125 1.0843 0.0000 H 0 0 0
- -7.5915 -0.3984 0.0000 H 0 0 0
- -7.3831 -1.8600 0.0000 H 0 0 0
- -5.9215 -1.6516 0.0000 H 0 0 0
- 2.1760 2.4310 0.0000 H 0 0 0
- 1.6686 -1.7697 0.0000 H 0 0 0
- 4.5781 2.1346 0.0000 H 0 0 0
- 4.0727 -2.0534 0.0000 H 0 0 0
- 5.4923 -1.9042 0.0000 H 0 0 0
- 6.8623 -2.4544 0.0000 H 0 0 0
- 7.4125 -1.0844 0.0000 H 0 0 0
- 7.5915 0.3983 0.0000 H 0 0 0
- 7.3831 1.8599 0.0000 H 0 0 0
- 5.9215 1.6515 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 6 9 1 0
- 16 17 2 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 8 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103393-72-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -2.0031 -0.0453 -0.0107 C 0 0 0
- -0.9741 -1.0633 0.1965 C 0 0 0
- -1.4894 1.1414 -0.0202 C 0 0 0
- -3.4125 -0.3752 -0.1852 C 0 0 0
- 0.2701 -0.2875 0.3125 C 0 0 0
- -1.3668 -2.3124 0.2265 C 0 0 0
- -0.0396 0.9976 0.1855 C 0 0 0
- -2.4317 2.2584 -0.2228 C 0 0 0
- -3.7553 -1.8069 -0.1410 C 0 0 0
- -4.2509 0.6169 -0.3655 C 0 0 0
- 1.6687 -0.6899 0.5265 C 0 0 0
- -2.7827 -2.6782 0.0589 C 0 0 0
- 1.0325 2.0075 0.2629 C 0 0 0
- -3.7170 1.9968 -0.3801 C 0 0 0
- 2.6191 0.2167 0.5941 C 0 0 0
- 2.2803 1.6434 0.4539 C 0 0 0
- 4.0499 -0.2026 0.8131 C 0 0 0
- 4.8455 -0.4802 -0.7809 Cl 0 0 0
- -0.6193 -3.0997 0.0000 H 0 0 0
- -2.0752 3.2838 0.0000 H 0 0 0
- -4.7916 -2.1305 0.0000 H 0 0 0
- -5.3216 0.4373 0.0000 H 0 0 0
- 1.9276 -1.7442 0.0000 H 0 0 0
- -3.0395 -3.7330 0.0000 H 0 0 0
- 0.7789 3.0631 0.0000 H 0 0 0
- -4.4174 2.8263 0.0000 H 0 0 0
- 3.0672 2.3913 0.0000 H 0 0 0
- 4.8601 0.5200 0.0000 H 0 0 0
- 3.8112 0.8565 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 17 18 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 15 16 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-00-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.6333 -0.3977 -0.0029 C 0 0 0
- -0.7067 -0.7375 -0.0029 C 0 0 0
- 1.0090 0.9336 -0.0004 C 0 0 0
- 1.6659 -1.4583 0.0005 N 0 3 0
- -1.6710 0.2528 -0.0003 C 0 0 0
- 0.0431 1.9245 0.0022 C 0 0 0
- 2.6916 1.3610 -0.0010 Cl 0 0 0
- 1.3349 -2.6304 0.0034 O 0 0 0
- 2.8465 -1.1588 0.0005 O 0 5 0
- -1.2961 1.5836 0.0027 C 0 0 0
- -3.1056 -0.1117 -0.0003 N 0 3 0
- -3.9556 0.7607 0.0020 O 0 0 0
- -3.4361 -1.2840 -0.0025 O 0 5 0
- -0.9884 -1.7353 0.0000 H 0 0 0
- 0.3241 2.9225 0.0000 H 0 0 0
- -2.0199 2.3260 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57309-27-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 0.6286 0.3341 -2.4825 C 0 0 0
- 0.3400 0.1358 -0.9931 C 0 0 0
- -0.5108 1.2719 -0.4692 C 0 0 0
- -0.4579 -1.0816 -0.7877 N 0 0 0
- 1.6306 0.0517 -0.2196 C 0 0 0
- -0.2295 2.4518 -0.4483 O 0 0 0
- -1.7508 0.6435 0.0082 C 0 0 0
- 0.2654 -1.8989 0.1866 O 0 0 0
- -1.6677 -0.7417 -0.2026 C 0 0 0
- 2.6221 -0.8227 -0.6226 C 0 0 0
- 1.8250 0.8534 0.8899 C 0 0 0
- -2.8992 1.1939 0.5914 C 0 0 0
- -2.7391 -1.5503 0.1763 C 0 0 0
- 3.8062 -0.8999 0.0870 C 0 0 0
- 3.0087 0.7763 1.5993 C 0 0 0
- -3.9437 0.3752 0.9565 C 0 0 0
- -3.8619 -0.9933 0.7491 C 0 0 0
- 3.9983 -0.1026 1.1995 C 0 0 0
- 1.1737 -0.4592 0.0000 H 0 0 0
- 1.4219 0.8792 0.0000 H 0 0 0
- 0.0835 1.1274 0.0000 H 0 0 0
- 0.9033 -2.6197 0.0000 H 0 0 0
- 2.2527 -1.7115 0.0000 H 0 0 0
- 1.2549 1.6289 0.0000 H 0 0 0
- -3.0038 2.1508 0.0000 H 0 0 0
- -2.6497 -2.5087 0.0000 H 0 0 0
- 4.3769 -1.6750 0.0000 H 0 0 0
- 3.3797 1.6645 0.0000 H 0 0 0
- -4.8214 0.7705 0.0000 H 0 0 0
- -4.6644 -1.5248 0.0000 H 0 0 0
- 4.9167 0.1856 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 2 0
- 11 5 1 0
- 12 7 2 0
- 13 9 2 0
- 14 10 1 0
- 15 11 2 0
- 16 12 1 0
- 17 13 1 0
- 18 14 2 0
- 7 9 1 0
- 16 17 2 0
- 15 18 1 0
- 1 19 1 0
- 1 20 1 0
- 1 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-836-37-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.4375 -1.2019 0.0497 C 0 0 0
- -1.1658 -0.0647 0.0520 O 0 0 0
- 0.9652 -1.2889 0.1063 C 0 0 0
- -1.3203 -2.2674 -0.0125 C 0 0 0
- -2.4681 -0.3698 -0.0118 C 0 0 0
- 1.7342 -0.1358 0.0552 C 0 0 0
- -2.6068 -1.7162 -0.0471 C 0 0 0
- -3.5791 0.6083 -0.0303 N 0 3 0
- 3.1964 -0.2316 -0.0064 C 0 0 0
- 1.1004 1.1483 0.0626 C 0 0 0
- -4.7319 0.2196 -0.0902 O 0 0 0
- -3.3405 1.8019 0.0145 O 0 5 0
- 3.9442 0.8898 -0.0562 O 0 0 0
- 3.7346 -1.3222 -0.0127 O 0 0 0
- 0.5977 2.1670 0.0684 N 0 0 0
- 5.3918 0.7950 -0.1172 C 0 0 0
- 1.4212 -2.2085 0.0000 H 0 0 0
- -1.0792 -3.2652 0.0000 H 0 0 0
- -3.4916 -2.2366 0.0000 H 0 0 0
- 5.3247 -0.2293 0.0000 H 0 0 0
- 6.4161 0.7279 0.0000 H 0 0 0
- 5.4589 1.8193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 9 14 2 0
- 10 15 3 0
- 13 16 1 0
- 5 7 2 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 16 20 1 0
- 16 21 1 0
- 16 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-32-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.3371 -0.0207 0.0019 C 0 0 0
- -0.6028 -1.1937 0.0013 C 0 0 0
- -0.7177 1.1463 0.0012 N 0 0 0
- -2.8431 -0.0746 -0.0031 C 0 0 0
- 0.7176 -1.1465 0.0002 N 0 0 0
- 0.6030 1.1935 0.0001 C 0 0 0
- 1.3370 0.0209 -0.0005 C 0 0 0
- 2.8431 0.0748 -0.0013 C 0 0 0
- -1.0783 -2.0897 0.0000 H 0 0 0
- -2.8794 0.9391 0.0000 H 0 0 0
- -3.8568 -0.1109 0.0000 H 0 0 0
- -2.8068 -1.0883 0.0000 H 0 0 0
- 1.0785 2.0895 0.0000 H 0 0 0
- 2.8794 -0.9389 0.0000 H 0 0 0
- 3.8568 0.1111 0.0000 H 0 0 0
- 2.8068 1.0885 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64188-64-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- -0.5985 1.1039 -1.3707 C 0 0 0
- -0.0489 -0.3282 -1.4523 C 0 0 0
- 0.5193 0.6611 -0.5269 N 0 0 0
- -1.8115 1.3482 -0.5049 C 0 0 0
- -0.7550 -1.4034 -0.6610 C 0 0 0
- 1.7476 1.1681 -1.1531 C 0 0 0
- -2.3982 0.2961 0.1892 C 0 0 0
- -2.3334 2.6226 -0.4080 C 0 0 0
- -1.8665 -1.0866 0.1116 C 0 0 0
- -0.2888 -2.7019 -0.7100 C 0 0 0
- 2.9401 0.7471 -0.3334 C 0 0 0
- -3.5202 0.5438 0.9848 C 0 0 0
- -3.4439 2.8598 0.3813 C 0 0 0
- -2.5050 -2.0966 0.8365 C 0 0 0
- -0.9260 -3.6959 0.0101 C 0 0 0
- 3.5743 -0.4520 -0.6009 C 0 0 0
- 3.4032 1.5623 0.6821 C 0 0 0
- -4.0349 1.8195 1.0758 C 0 0 0
- -2.0327 -3.3906 0.7820 C 0 0 0
- 4.6679 -0.8381 0.1509 C 0 0 0
- 4.4971 1.1761 1.4341 C 0 0 0
- 5.1276 -0.0253 1.1705 C 0 0 0
- -0.3422 1.9693 0.0000 H 0 0 0
- 0.7200 -0.8009 0.0000 H 0 0 0
- 2.2716 1.9030 0.0000 H 0 0 0
- 1.1861 1.8748 0.0000 H 0 0 0
- -1.7545 3.3151 0.0000 H 0 0 0
- 0.6081 -2.8034 0.0000 H 0 0 0
- -4.1033 -0.1452 0.0000 H 0 0 0
- -3.8135 3.6833 0.0000 H 0 0 0
- -3.4025 -2.0003 0.0000 H 0 0 0
- -0.6032 -4.5388 0.0000 H 0 0 0
- 2.9847 -1.1354 0.0000 H 0 0 0
- 3.0874 2.4079 0.0000 H 0 0 0
- -4.9355 1.8795 0.0000 H 0 0 0
- -2.6446 -4.0541 0.0000 H 0 0 0
- 4.9845 -1.6834 0.0000 H 0 0 0
- 5.0878 1.8586 0.0000 H 0 0 0
- 6.0301 -0.0395 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 11 17 2 0
- 12 18 2 0
- 14 19 2 0
- 16 20 2 0
- 17 21 1 0
- 20 22 1 0
- 2 3 1 0
- 7 9 1 0
- 13 18 1 0
- 15 19 1 0
- 21 22 2 0
- 1 23 1 0
- 2 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-29590-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- 3.6377 -0.0405 -0.0298 C 0 0 0
- 2.3937 0.4495 0.1416 O 0 0 0
- 4.8044 0.8303 0.1698 C 0 0 0
- 3.7945 -1.2039 -0.3445 O 0 0 0
- 1.2408 -0.4110 -0.0556 C 0 0 0
- 6.0325 0.3465 0.0006 C 0 0 0
- -0.0400 0.3858 0.2000 C 0 0 0
- -1.2547 -0.5209 -0.0078 C 0 0 0
- -2.5356 0.2760 0.2478 C 0 0 0
- -3.7503 -0.6308 0.0399 C 0 0 0
- -5.0312 0.1661 0.2956 C 0 0 0
- -5.1017 1.3442 -0.6780 C 0 0 0
- -6.2459 -0.7406 0.0877 C 0 0 0
- 4.6570 1.9321 0.0000 H 0 0 0
- 0.5411 -1.2747 0.0000 H 0 0 0
- 2.0111 -1.2125 0.0000 H 0 0 0
- 6.1968 -0.7529 0.0000 H 0 0 0
- 6.9025 1.0385 0.0000 H 0 0 0
- 0.6597 1.2495 0.0000 H 0 0 0
- -0.8103 1.1872 0.0000 H 0 0 0
- -1.9544 -1.3846 0.0000 H 0 0 0
- -0.4844 -1.3224 0.0000 H 0 0 0
- -1.8359 1.1397 0.0000 H 0 0 0
- -3.3059 1.0774 0.0000 H 0 0 0
- -4.4500 -1.4945 0.0000 H 0 0 0
- -2.9800 -1.4322 0.0000 H 0 0 0
- -4.0761 0.7348 0.0000 H 0 0 0
- -3.9921 1.4106 0.0000 H 0 0 0
- -5.1681 2.4538 0.0000 H 0 0 0
- -6.2113 1.2778 0.0000 H 0 0 0
- -6.9108 0.1502 0.0000 H 0 0 0
- -7.1367 -1.4055 0.0000 H 0 0 0
- -5.5810 -1.6314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-118-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.1143 0.2636 -0.0083 C 0 0 0
- 0.5744 -0.9599 -0.0206 C 0 0 0
- 0.6068 1.4609 0.0233 C 0 0 0
- -1.5868 0.2857 -0.0346 C 0 0 0
- 1.9638 -0.9667 -0.0013 C 0 0 0
- -0.1291 -2.1564 -0.0515 N 0 0 0
- 1.9837 1.4333 0.0420 C 0 0 0
- -2.2825 0.2073 1.1170 O 0 0 0
- -2.1743 0.3747 -1.0946 O 0 0 0
- 2.6605 0.2235 0.0298 C 0 0 0
- 0.1041 2.3717 0.0000 H 0 0 0
- 2.4791 -1.8705 0.0000 H 0 0 0
- -1.1694 -2.1482 0.0000 H 0 0 0
- 0.3839 -3.0615 0.0000 H 0 0 0
- 2.5189 2.3254 0.0000 H 0 0 0
- -3.3163 0.0908 0.0000 H 0 0 0
- 3.7008 0.2133 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61788-44-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.8862 0.0001 0.0021 C 0 0 0
- -0.1913 -1.2009 0.0012 C 0 0 0
- -0.1916 1.2007 0.0013 C 0 0 0
- -2.2452 0.0000 -0.0019 O 0 0 0
- 1.1900 -1.1981 -0.0004 C 0 0 0
- 1.1901 1.1981 -0.0004 C 0 0 0
- 1.8802 0.0002 -0.0012 C 0 0 0
- -0.7084 -2.0996 0.0000 H 0 0 0
- -0.7088 2.0994 0.0000 H 0 0 0
- -3.2820 -0.0001 0.0000 H 0 0 0
- 1.7098 -2.0952 0.0000 H 0 0 0
- 1.7098 2.0953 0.0000 H 0 0 0
- 2.9170 0.0002 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114454-59-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.5490 0.5917 -0.0433 C 0 0 0
- -1.3716 -0.6273 -0.0070 C 0 0 0
- 0.8518 0.4976 -0.0006 C 0 0 0
- -1.1663 1.8364 -0.1764 C 0 0 0
- -0.7620 -1.8908 -0.0821 C 0 0 0
- -2.7532 -0.5217 0.1578 C 0 0 0
- 1.4950 -0.8268 -0.0322 C 0 0 0
- 1.6116 1.6677 0.0504 C 0 0 0
- -2.6545 1.9212 -0.3761 C 0 0 2
- -0.3975 2.9781 -0.1297 C 0 0 0
- 0.7072 -1.9924 -0.0893 C 0 0 0
- -1.5641 -3.0321 -0.1283 C 0 0 0
- -3.3837 0.8240 0.3889 C 0 0 2
- -3.5259 -1.6615 0.1145 C 0 0 0
- 2.8868 -0.9369 -0.0092 C 0 0 0
- 0.9821 2.8920 -0.0015 C 0 0 0
- 3.0860 1.5933 0.1591 N 0 3 0
- -2.9553 1.8115 -1.7687 O 0 0 0
- 1.3287 -3.2412 -0.1495 C 0 0 0
- -2.9338 -2.9066 -0.0425 C 0 0 0
- -3.3660 1.1247 1.7857 O 0 0 0
- 3.4788 -2.1786 -0.0603 C 0 0 0
- 3.6120 1.5014 1.2538 O 0 0 0
- 3.7731 1.6238 -0.8461 O 0 5 0
- 2.7026 -3.3265 -0.1350 C 0 0 0
- -2.8061 2.9494 0.0000 H 0 0 0
- -0.8569 3.9103 0.0000 H 0 0 0
- -1.1276 -3.9753 0.0000 H 0 0 0
- -4.4043 0.6281 0.0000 H 0 0 0
- -4.5622 -1.5827 0.0000 H 0 0 0
- 3.4757 -0.0806 0.0000 H 0 0 0
- 1.5509 3.7618 0.0000 H 0 0 0
- -3.9317 1.4554 0.0000 H 0 0 0
- 0.7544 -4.1074 0.0000 H 0 0 0
- -3.5284 -3.7590 0.0000 H 0 0 0
- -3.3049 2.1622 0.0000 H 0 0 0
- 4.5152 -2.2563 0.0000 H 0 0 0
- 3.1613 -4.2591 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 15 22 2 0
- 17 23 2 0
- 17 24 1 0
- 19 25 2 0
- 7 11 2 0
- 9 13 1 0
- 10 16 1 0
- 14 20 2 0
- 22 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51325-91-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- 3.5714 0.0942 -0.0022 C 0 0 0
- 2.2290 0.5210 -0.0016 C 0 0 0
- 4.6327 1.0348 -0.0011 C 0 0 0
- 3.8358 -1.3011 0.0019 C 0 0 0
- 1.2289 -0.4321 -0.0028 C 0 0 0
- 5.9911 0.5816 -0.0017 C 0 0 0
- 4.3461 2.4378 0.0008 C 0 0 0
- 2.8077 -2.1696 0.0062 C 0 0 0
- -0.1716 -0.0150 -0.0022 C 0 0 0
- 1.5366 -1.7427 -0.0051 O 0 0 0
- 7.0687 0.2220 -0.0022 N 0 0 0
- 4.1187 3.5508 0.0023 N 0 0 0
- 3.0905 -3.6499 0.0101 C 0 0 0
- -1.1526 -0.9431 -0.0034 C 0 0 0
- -2.5612 -0.5236 -0.0028 C 0 0 0
- -3.5796 -1.4840 -0.0040 C 0 0 0
- -2.8883 0.8378 0.0049 C 0 0 0
- -4.8975 -1.0867 -0.0030 C 0 0 0
- -4.2084 1.2262 0.0059 C 0 0 0
- -5.2181 0.2677 -0.0007 C 0 0 0
- -6.5527 0.6652 0.0004 N 0 0 0
- -6.8926 2.0902 0.0028 C 0 0 0
- -7.6169 -0.3417 -0.0009 C 0 0 0
- 1.9936 1.5413 0.0000 H 0 0 0
- 4.8226 -1.6513 0.0000 H 0 0 0
- -0.4145 1.0036 0.0000 H 0 0 0
- 2.0620 -3.8464 0.0000 H 0 0 0
- 3.2870 -4.6784 0.0000 H 0 0 0
- 4.1190 -3.4534 0.0000 H 0 0 0
- -0.9097 -1.9617 0.0000 H 0 0 0
- -3.3392 -2.5032 0.0000 H 0 0 0
- -2.1295 1.5594 0.0000 H 0 0 0
- -5.6599 -1.8045 0.0000 H 0 0 0
- -4.4539 2.2442 0.0000 H 0 0 0
- -5.8740 2.3332 0.0000 H 0 0 0
- -7.1356 3.1088 0.0000 H 0 0 0
- -7.9112 1.8472 0.0000 H 0 0 0
- -8.3366 0.4189 0.0000 H 0 0 0
- -8.3775 -1.0614 0.0000 H 0 0 0
- -6.8972 -1.1023 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 3 0
- 7 12 3 0
- 8 13 1 0
- 9 14 2 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 8 10 1 0
- 19 20 1 0
- 2 24 1 0
- 4 25 1 0
- 9 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 22 35 1 0
- 22 36 1 0
- 22 37 1 0
- 23 38 1 0
- 23 39 1 0
- 23 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2426-08-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.4658 0.2133 -0.5089 C 0 0 0
- -3.7044 -0.5961 -0.1196 C 0 0 0
- -3.3003 0.5744 0.5935 O 0 0 0
- -1.2115 -0.4922 0.0106 C 0 0 0
- -0.0546 0.2638 -0.3529 O 0 0 0
- 1.0777 -0.4426 0.1577 C 0 0 0
- 2.3566 0.3178 -0.1990 C 0 0 0
- 3.5689 -0.4386 0.3478 C 0 0 0
- 4.8478 0.3218 -0.0090 C 0 0 0
- -1.9897 1.1734 0.0000 H 0 0 0
- -4.7756 -0.5654 0.0000 H 0 0 0
- -3.4133 -1.6275 0.0000 H 0 0 0
- -1.8789 -1.3307 0.0000 H 0 0 0
- -0.4899 -1.2846 0.0000 H 0 0 0
- 0.3738 -1.2507 0.0000 H 0 0 0
- 1.7642 -1.2655 0.0000 H 0 0 0
- 3.0606 1.1258 0.0000 H 0 0 0
- 1.6701 1.1407 0.0000 H 0 0 0
- 2.8649 -1.2466 0.0000 H 0 0 0
- 4.2554 -1.2615 0.0000 H 0 0 0
- 5.3955 -0.5994 0.0000 H 0 0 0
- 5.7690 0.8695 0.0000 H 0 0 0
- 4.3001 1.2430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 2 3 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-603-54-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.0018 -0.6236 0.0317 N 0 0 0
- -0.0121 -1.9698 0.0946 C 0 0 0
- 1.2162 0.0662 -0.0080 C 0 0 0
- -1.2092 0.0851 0.0004 C 0 0 0
- 1.0329 -2.6747 -0.3823 N 0 0 0
- -0.9642 -2.5484 0.5815 O 0 0 0
- 1.7235 0.5128 -1.2209 C 0 0 0
- 1.9165 0.3101 1.1663 C 0 0 0
- -2.0489 -0.0196 -1.1004 C 0 0 0
- -1.5718 0.8898 1.0728 C 0 0 0
- 2.9250 1.1933 -1.2567 C 0 0 0
- 3.1171 0.9910 1.1238 C 0 0 0
- -3.2392 0.6809 -1.1283 C 0 0 0
- -2.7630 1.5875 1.0388 C 0 0 0
- 3.6223 1.4299 -0.0865 C 0 0 0
- -3.5946 1.4855 -0.0616 C 0 0 0
- 0.9746 -3.5083 0.0000 H 0 0 0
- 1.7839 -2.3084 0.0000 H 0 0 0
- 1.2390 1.1936 0.0000 H 0 0 0
- 2.2614 -0.4510 0.0000 H 0 0 0
- -2.2181 -0.8379 0.0000 H 0 0 0
- -0.9503 1.4484 0.0000 H 0 0 0
- 2.5833 1.9559 0.0000 H 0 0 0
- 3.5996 0.3088 0.0000 H 0 0 0
- -3.8633 0.1253 0.0000 H 0 0 0
- -2.5938 2.4058 0.0000 H 0 0 0
- 4.3469 1.8460 0.0000 H 0 0 0
- -4.3212 1.8981 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 2 0
- 7 3 2 0
- 8 3 1 0
- 9 4 2 0
- 10 4 1 0
- 11 7 1 0
- 12 8 2 0
- 13 9 1 0
- 14 10 2 0
- 15 11 2 0
- 16 13 2 0
- 12 15 1 0
- 14 16 1 0
- 5 17 1 0
- 5 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-555-68-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.2371 0.2630 -0.0040 C 0 0 0
- -0.9356 -0.4987 -0.0033 C 0 0 0
- 0.1554 1.6594 -0.0015 C 0 0 0
- 1.5505 -0.4011 -0.0013 C 0 0 0
- -2.1625 0.1310 -0.0002 C 0 0 0
- -1.0786 2.2740 0.0016 C 0 0 0
- 2.6797 0.3372 -0.0019 C 0 0 0
- -2.2350 1.5130 0.0018 C 0 0 0
- -3.4050 -0.6733 0.0005 N 0 3 0
- 3.9847 -0.3227 0.0008 C 0 0 0
- -4.4895 -0.1187 0.0033 O 0 0 0
- -3.3431 -1.8897 -0.0016 O 0 5 0
- 5.1138 0.4156 0.0001 O 0 0 0
- 4.0521 -1.5370 0.0037 O 0 0 0
- -0.8829 -1.5335 0.0000 H 0 0 0
- 1.0200 2.2303 0.0000 H 0 0 0
- 1.6079 -1.4356 0.0000 H 0 0 0
- -1.1407 3.3082 0.0000 H 0 0 0
- 2.6223 1.3717 0.0000 H 0 0 0
- -3.1596 1.9806 0.0000 H 0 0 0
- 5.9810 0.9826 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- -0.8881 -0.3500 -0.0038 C 0 0 0
- -2.1554 0.5072 0.0055 C 0 0 0
- 0.3425 0.5591 0.0061 C 0 0 0
- -3.3860 -0.4018 -0.0044 C 0 0 0
- 1.6098 -0.2981 -0.0033 C 0 0 0
- -4.6533 0.4554 0.0050 C 0 0 0
- 2.8404 0.6110 0.0067 C 0 0 0
- -5.8840 -0.4537 -0.0050 C 0 0 0
- 4.1077 -0.2462 -0.0027 C 0 0 0
- -7.1513 0.4035 0.0044 C 0 0 0
- 5.3383 0.6628 0.0072 C 0 0 0
- -8.3819 -0.5056 -0.0055 C 0 0 0
- 6.8409 -0.3535 -0.0039 S 0 0 0
- -1.6343 -1.2217 0.0000 H 0 0 0
- -0.1063 -1.1900 0.0000 H 0 0 0
- -1.4092 1.3789 0.0000 H 0 0 0
- -2.9372 1.3472 0.0000 H 0 0 0
- 1.0887 1.4308 0.0000 H 0 0 0
- -0.4393 1.3991 0.0000 H 0 0 0
- -4.1322 -1.2735 0.0000 H 0 0 0
- -2.6042 -1.2418 0.0000 H 0 0 0
- 0.8636 -1.1698 0.0000 H 0 0 0
- 2.3916 -1.1381 0.0000 H 0 0 0
- -3.9071 1.3271 0.0000 H 0 0 0
- -5.4351 1.2954 0.0000 H 0 0 0
- 3.5866 1.4827 0.0000 H 0 0 0
- 2.0586 1.4510 0.0000 H 0 0 0
- -6.6302 -1.3254 0.0000 H 0 0 0
- -5.1022 -1.2937 0.0000 H 0 0 0
- 3.3615 -1.1179 0.0000 H 0 0 0
- 4.8895 -1.0862 0.0000 H 0 0 0
- -6.4051 1.2752 0.0000 H 0 0 0
- -7.9331 1.2435 0.0000 H 0 0 0
- 6.0845 1.5345 0.0000 H 0 0 0
- 4.5565 1.5028 0.0000 H 0 0 0
- -9.0637 0.4174 0.0000 H 0 0 0
- -9.3049 -1.1874 0.0000 H 0 0 0
- -7.7001 -1.4286 0.0000 H 0 0 0
- 7.7914 -0.9964 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 1 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-693-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -2.1681 0.2959 0.1858 C 0 0 0
- -1.1787 -0.6012 -0.4163 N 0 0 0
- -2.7224 1.2366 -0.8860 C 0 0 0
- -3.3107 -0.5302 0.7798 C 0 0 0
- 0.0000 -0.6013 -0.0001 C 0 0 0
- 1.1786 -0.6014 0.4162 N 0 0 0
- 2.1681 0.2958 -0.1858 C 0 0 0
- 2.7225 1.2363 0.8861 C 0 0 0
- 3.3107 -0.5303 -0.7798 C 0 0 0
- -1.4370 0.8912 0.0000 H 0 0 0
- -1.9101 1.7152 0.0000 H 0 0 0
- -3.2010 2.0489 0.0000 H 0 0 0
- -3.5347 0.7580 0.0000 H 0 0 0
- -3.8631 0.2339 0.0000 H 0 0 0
- -4.0748 -1.0826 0.0000 H 0 0 0
- -2.7583 -1.2943 0.0000 H 0 0 0
- 1.4370 0.8912 0.0000 H 0 0 0
- 3.5347 0.7575 0.0000 H 0 0 0
- 3.2013 2.0485 0.0000 H 0 0 0
- 1.9103 1.7151 0.0000 H 0 0 0
- 2.7583 -1.2944 0.0000 H 0 0 0
- 4.0748 -1.0827 0.0000 H 0 0 0
- 3.8631 0.2338 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 5 6 2 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.5318 0.0103 -0.0013 C 0 0 0
- -0.6288 0.6956 0.0010 N 0 0 0
- 1.7055 0.6728 0.0000 N 0 0 0
- 0.5199 -1.2055 0.0005 O 0 0 0
- -1.8619 -0.0005 -0.0004 O 0 0 0
- -0.6190 1.7064 0.0000 H 0 0 0
- 2.5760 0.1589 0.0000 H 0 0 0
- 1.7153 1.6836 0.0000 H 0 0 0
- -2.7422 -0.4974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-503-09-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.3804 -0.0726 -0.5305 C 0 0 0
- -1.6800 -0.6763 0.0056 C 0 0 0
- -1.3566 0.7067 0.1635 O 0 0 0
- 0.7698 -0.4128 0.4193 C 0 0 0
- 1.9582 0.1392 -0.0709 F 0 0 0
- 0.0740 0.7988 0.0000 H 0 0 0
- -2.6627 -0.6683 0.0000 H 0 0 0
- -1.4719 -1.6368 0.0000 H 0 0 0
- 0.2392 -1.2400 0.0000 H 0 0 0
- 1.4161 -1.1532 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27946-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.5041 0.2949 0.3484 C 0 0 0
- 1.4214 -0.7155 0.6272 C 0 0 0
- 2.7951 1.2714 1.2822 C 0 0 0
- 3.2102 0.2417 -0.8391 C 0 0 0
- 0.3531 -0.6118 -0.4307 C 0 0 0
- 2.1278 -2.3742 0.6073 Cl 0 0 0
- 3.7884 2.1985 1.0265 C 0 0 0
- 4.2033 1.1684 -1.0947 C 0 0 0
- -0.9141 -0.3134 -0.0818 N 0 0 0
- 0.6336 -0.7969 -1.5960 O 0 0 0
- 4.4904 2.1487 -0.1631 C 0 0 0
- -1.9526 -0.2125 -1.1102 C 0 0 0
- -3.2696 0.1289 -0.4622 C 0 0 0
- -3.6341 1.4512 -0.2927 C 0 0 0
- -4.1159 -0.8807 -0.0426 C 0 0 0
- -4.8424 1.7645 0.3018 C 0 0 0
- -5.3238 -0.5676 0.5517 C 0 0 0
- -5.6858 0.7552 0.7265 C 0 0 0
- 1.1077 0.2091 0.0000 H 0 0 0
- 1.9651 1.7857 0.0000 H 0 0 0
- 3.5338 -0.6795 0.0000 H 0 0 0
- 3.4627 3.1190 0.0000 H 0 0 0
- 5.0345 0.6560 0.0000 H 0 0 0
- -0.7546 0.6499 0.0000 H 0 0 0
- 5.2921 2.7061 0.0000 H 0 0 0
- -2.6001 -0.9433 0.0000 H 0 0 0
- -1.5954 -1.1212 0.0000 H 0 0 0
- -2.9490 2.1469 0.0000 H 0 0 0
- -3.8183 -1.8106 0.0000 H 0 0 0
- -5.1407 2.6942 0.0000 H 0 0 0
- -6.0095 -1.2627 0.0000 H 0 0 0
- -6.6398 0.9630 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 7 11 2 0
- 9 12 1 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 11 1 0
- 17 18 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2226-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -0.3538 1.2386 -0.0794 C 0 0 0
- -1.0216 0.0119 -0.4536 N 0 0 0
- 1.1425 1.2157 -0.4013 C 0 0 0
- -0.9780 2.3909 -0.8999 C 0 0 0
- -0.5516 1.5797 1.3995 C 0 0 0
- -0.3849 -1.2309 -0.0794 C 0 0 0
- -2.3567 0.0288 0.1443 O 0 0 0
- 1.7705 -0.0087 0.2745 C 0 0 0
- 1.1198 -1.2514 -0.3375 C 0 0 0
- -0.6558 -1.5946 1.3845 C 0 0 0
- -1.0075 -2.3559 -0.9417 C 0 0 0
- 3.1753 -0.0268 0.0132 O 0 0 0
- 2.1323 1.5337 0.0000 H 0 0 0
- 0.9894 2.2440 0.0000 H 0 0 0
- -0.0638 2.8861 0.0000 H 0 0 0
- -1.4732 3.3051 0.0000 H 0 0 0
- -1.8922 1.8957 0.0000 H 0 0 0
- 0.3478 2.1012 0.0000 H 0 0 0
- -1.0731 2.4791 0.0000 H 0 0 0
- -1.4510 1.0582 0.0000 H 0 0 0
- -3.3963 0.0420 0.0000 H 0 0 0
- 0.7308 -0.0043 0.0000 H 0 0 0
- 0.9440 -2.2761 0.0000 H 0 0 0
- 2.1047 -1.5845 0.0000 H 0 0 0
- -1.4896 -0.9736 0.0000 H 0 0 0
- -1.2768 -2.4284 0.0000 H 0 0 0
- 0.1780 -2.2156 0.0000 H 0 0 0
- -1.9172 -1.8525 0.0000 H 0 0 0
- -1.5109 -3.2656 0.0000 H 0 0 0
- -0.0978 -2.8593 0.0000 H 0 0 0
- 4.2149 -0.0402 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 8 9 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 12 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54818-87-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -0.2058 -0.9282 0.1213 C 0 0 0
- -1.7686 -1.7329 0.0007 S 0 0 0
- 0.2913 -0.5581 1.3652 C 0 0 0
- 0.5325 -0.6687 -1.0266 C 0 0 0
- -2.8314 -0.3290 -0.0647 C 0 0 0
- 1.5155 0.0722 1.4592 C 0 0 0
- 1.7570 -0.0381 -0.9317 C 0 0 0
- -4.2107 -0.4970 -0.0271 C 0 0 0
- -2.2926 0.9491 -0.1481 C 0 0 0
- 2.2506 0.3367 0.3108 C 0 0 0
- -5.0403 0.6053 -0.0781 C 0 0 0
- -3.1286 2.0472 -0.1986 C 0 0 0
- 3.4933 0.9771 0.4067 N 0 0 0
- -4.5004 1.8759 -0.1664 C 0 0 0
- 4.5886 0.4071 -0.1336 C 0 0 0
- 5.8960 1.1563 -0.1531 C 0 0 0
- 4.5220 -0.7089 -0.6041 O 0 0 0
- -0.2564 0.3200 0.0000 H 0 0 0
- 0.9420 -1.6191 0.0000 H 0 0 0
- 1.1026 1.0211 0.0000 H 0 0 0
- 2.3089 -0.9135 0.0000 H 0 0 0
- -4.6158 -1.4493 0.0000 H 0 0 0
- -1.2659 1.0790 0.0000 H 0 0 0
- -6.0675 0.4797 0.0000 H 0 0 0
- -2.7276 3.0012 0.0000 H 0 0 0
- 3.4954 2.0120 0.0000 H 0 0 0
- -5.1239 2.7019 0.0000 H 0 0 0
- 6.4105 0.2584 0.0000 H 0 0 0
- 6.7939 1.6708 0.0000 H 0 0 0
- 5.3815 2.0542 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 7 10 2 0
- 12 14 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6358-23-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -0.1493 0.4592 0.7810 C 0 0 0
- -0.7174 -0.7099 0.2910 C 0 0 0
- 1.2032 0.4880 1.1290 N 0 0 0
- -0.9283 1.6017 0.9189 C 0 0 0
- -2.0549 -0.7346 -0.0526 C 0 0 0
- 0.1097 -1.9279 0.1376 N 0 3 0
- 2.1814 0.5585 0.1304 C 0 0 0
- -2.2635 1.5713 0.5686 C 0 0 0
- -2.8283 0.4026 0.0908 C 0 0 0
- -0.0081 -2.6229 -0.8558 O 0 0 0
- 0.9079 -2.2352 1.0047 O 0 5 0
- 3.5309 0.4660 0.4663 C 0 0 0
- 1.8102 0.7150 -1.1970 C 0 0 0
- -4.2615 0.3723 -0.2784 N 0 3 0
- 4.4942 0.5365 -0.5259 C 0 0 0
- 3.9007 0.3074 1.7654 O 0 0 0
- 2.7783 0.7845 -2.1815 C 0 0 0
- -4.9441 1.3732 -0.1526 O 0 0 0
- -4.7582 -0.6536 -0.7079 O 0 5 0
- 4.1167 0.6984 -1.8467 C 0 0 0
- 1.2486 -0.4845 0.0000 H 0 0 0
- -0.4832 2.4675 0.0000 H 0 0 0
- -2.5023 -1.5992 0.0000 H 0 0 0
- -2.7902 2.3900 0.0000 H 0 0 0
- 0.8497 0.8736 0.0000 H 0 0 0
- 5.4543 0.3756 0.0000 H 0 0 0
- 4.7954 -0.0763 0.0000 H 0 0 0
- 2.7747 1.7580 0.0000 H 0 0 0
- 4.3431 1.6452 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 9 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 15 20 1 0
- 8 9 1 0
- 17 20 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 8 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80115-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- -1.4197 0.1407 0.0612 C 0 0 0
- -2.8908 -0.0348 -0.0140 C 0 0 0
- -0.7066 -0.3942 1.1332 C 0 0 0
- -0.7475 0.8356 -0.9428 C 0 0 0
- -3.6984 1.0122 -0.4533 C 0 0 0
- -3.4698 -1.2496 0.3491 C 0 0 0
- 0.6604 -0.2303 1.2007 C 0 0 0
- 0.6200 0.9970 -0.8711 C 0 0 0
- -5.0667 0.8432 -0.5217 C 0 0 0
- -4.8387 -1.4074 0.2768 C 0 0 0
- 1.3279 0.4676 0.2010 C 0 0 0
- -5.6362 -0.3627 -0.1552 C 0 0 0
- 2.7146 0.6326 0.2716 N 0 0 0
- 3.5327 -0.3601 -0.1305 C 0 0 0
- 3.2594 1.8426 0.7657 O 0 0 0
- 5.0193 -0.1260 -0.2094 C 0 0 0
- 3.0725 -1.4419 -0.4289 O 0 0 0
- 5.7119 -1.4030 -0.6895 C 0 0 0
- -0.9658 -1.3602 0.0000 H 0 0 0
- -1.1913 1.7320 0.0000 H 0 0 0
- -3.3131 1.9352 0.0000 H 0 0 0
- -2.8883 -2.0634 0.0000 H 0 0 0
- 1.1076 -1.1250 0.0000 H 0 0 0
- 0.8794 1.9630 0.0000 H 0 0 0
- -5.6529 1.6536 0.0000 H 0 0 0
- -5.2301 -2.3279 0.0000 H 0 0 0
- -6.6309 -0.4679 0.0000 H 0 0 0
- 3.6700 2.7546 0.0000 H 0 0 0
- 5.9469 0.2481 0.0000 H 0 0 0
- 4.7527 0.8380 0.0000 H 0 0 0
- 4.8327 -1.8799 0.0000 H 0 0 0
- 6.1888 -2.2822 0.0000 H 0 0 0
- 6.5911 -0.9261 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 16 18 1 0
- 8 11 2 0
- 10 12 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-501-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.1499 0.4218 0.0035 C 0 0 0
- -0.5591 -0.7903 0.0033 C 0 0 0
- -0.4217 1.5440 0.0017 O 0 0 0
- -2.6541 0.5137 -0.0005 C 0 0 0
- 0.8562 -0.8652 0.0011 C 0 0 0
- 0.9183 1.5224 -0.0004 C 0 0 0
- -3.2117 -0.8021 -0.0041 O 0 0 0
- 1.5926 0.3516 -0.0008 C 0 0 0
- 1.4278 -1.9450 0.0012 O 0 0 0
- 2.9534 0.3369 -0.0034 O 0 0 0
- -1.1207 -1.6381 0.0000 H 0 0 0
- -2.4777 1.5153 0.0000 H 0 0 0
- -3.6293 0.8021 0.0000 H 0 0 0
- 1.4343 2.3987 0.0000 H 0 0 0
- -3.6085 -1.7385 0.0000 H 0 0 0
- 3.9703 0.3259 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 8 10 1 0
- 6 8 2 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2224-15-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -3.4742 0.6251 -0.5313 C 0 0 0
- -4.9494 0.5633 -0.1302 C 0 0 0
- -4.0046 1.3892 0.5534 O 0 0 0
- -2.7444 -0.6023 0.0183 C 0 0 0
- -1.3666 -0.5446 -0.3563 O 0 0 0
- -0.7427 -1.7114 0.1835 C 0 0 0
- 0.7427 -1.7114 -0.1835 C 0 0 0
- 1.3666 -0.5446 0.3563 O 0 0 0
- 2.7444 -0.6022 -0.0183 C 0 0 0
- 3.4742 0.6251 0.5313 C 0 0 0
- 4.9494 0.5634 0.1302 C 0 0 0
- 4.0046 1.3893 -0.5534 O 0 0 0
- -2.6044 1.1846 0.0000 H 0 0 0
- -5.8288 1.1077 0.0000 H 0 0 0
- -5.2115 -0.4372 0.0000 H 0 0 0
- -3.7081 -0.9778 0.0000 H 0 0 0
- -2.5321 -1.6145 0.0000 H 0 0 0
- -1.7220 -2.0440 0.0000 H 0 0 0
- -0.5742 -2.7318 0.0000 H 0 0 0
- 0.5742 -2.7318 0.0000 H 0 0 0
- 1.7220 -2.0440 0.0000 H 0 0 0
- 2.5322 -1.6144 0.0000 H 0 0 0
- 3.7081 -0.9777 0.0000 H 0 0 0
- 2.6044 1.1846 0.0000 H 0 0 0
- 5.2116 -0.4371 0.0000 H 0 0 0
- 5.8288 1.1078 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 1 0
- 2 3 1 0
- 11 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- 1.0015 0.1317 -0.4133 N 0 0 0
- 1.1461 -1.2205 -0.1256 C 0 0 0
- 0.0678 0.5629 -1.4566 C 0 0 0
- 1.7784 1.1261 0.3309 C 0 0 0
- 0.4225 -1.7840 0.9208 C 0 0 0
- 1.9669 -1.9620 -0.8531 N 0 0 0
- -1.3208 0.6598 -0.8791 C 0 0 0
- 3.2617 0.9760 -0.0132 C 0 0 0
- 0.5756 -3.1307 1.1957 C 0 0 0
- 2.1327 -3.2492 -0.6135 C 0 0 0
- -1.7721 1.8612 -0.3652 C 0 0 0
- -2.1435 -0.4517 -0.8693 C 0 0 0
- 4.0407 1.9731 0.7330 N 0 0 0
- 1.4506 -3.8719 0.4122 C 0 0 0
- -3.0449 1.9528 0.1644 C 0 0 0
- -3.4168 -0.3653 -0.3410 C 0 0 0
- 5.4475 1.7757 0.3591 C 0 0 0
- 3.6471 3.2902 0.2150 C 0 0 0
- -3.8702 0.8380 0.1802 C 0 0 0
- -5.1224 0.9255 0.7010 O 0 0 0
- -5.7139 -0.3691 0.5739 C 0 0 0
- 0.7822 1.2094 0.0000 H 0 0 0
- -0.2471 1.4735 0.0000 H 0 0 0
- 2.0523 2.0498 0.0000 H 0 0 0
- 0.9219 1.5674 0.0000 H 0 0 0
- -0.4657 -1.4106 0.0000 H 0 0 0
- 2.9878 0.0523 0.0000 H 0 0 0
- 4.1182 0.5347 0.0000 H 0 0 0
- -0.2742 -3.5846 0.0000 H 0 0 0
- 3.0373 -3.5808 0.0000 H 0 0 0
- -1.1954 2.6330 0.0000 H 0 0 0
- -1.7393 -1.3263 0.0000 H 0 0 0
- 1.4685 -4.8352 0.0000 H 0 0 0
- -3.4473 2.8282 0.0000 H 0 0 0
- -3.9915 -1.1386 0.0000 H 0 0 0
- 5.3136 0.8216 0.0000 H 0 0 0
- 6.4016 1.6418 0.0000 H 0 0 0
- 5.5814 2.7298 0.0000 H 0 0 0
- 4.5702 3.5661 0.0000 H 0 0 0
- 3.3712 4.2133 0.0000 H 0 0 0
- 2.7240 3.0143 0.0000 H 0 0 0
- -6.5902 0.0313 0.0000 H 0 0 0
- -6.1143 -1.2454 0.0000 H 0 0 0
- -4.8376 -0.7695 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 13 18 1 0
- 15 19 2 0
- 19 20 1 0
- 20 21 1 0
- 10 14 2 0
- 16 19 1 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 18 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 75 76 1 V2000
- 3.6428 -1.3007 1.2253 C 0 0 0
- 3.0404 -0.0606 1.7210 N 0 0 0
- 2.8505 -1.8053 0.0176 C 0 0 0
- 5.0908 -1.0336 0.8098 C 0 0 0
- 3.6161 -2.3580 2.3308 C 0 0 0
- 1.8479 0.3472 1.2433 C 0 0 0
- 3.7342 0.7361 2.7359 C 0 0 0
- 2.9682 -0.8132 -1.1106 C 0 0 0
- 1.3165 1.7097 1.6070 C 0 0 0
- 1.2024 -0.3824 0.5208 O 0 0 0
- 3.1303 -1.2591 -2.4092 C 0 0 0
- 2.9084 0.5424 -0.8478 C 0 0 0
- 0.1543 2.0228 0.7648 N 0 0 0
- 3.2384 -0.3492 -3.4439 C 0 0 0
- 3.0164 1.4526 -1.8829 C 0 0 0
- -1.0132 1.4091 1.4116 C 0 0 0
- -0.0393 3.4772 0.8364 C 0 0 0
- 3.1843 1.0069 -3.1804 C 0 0 0
- -2.0814 1.1521 0.3801 C 0 0 0
- 0.0628 4.0750 -0.5682 C 0 0 0
- -3.3407 0.8709 0.7698 N 0 0 0
- -1.8080 1.1982 -0.8005 O 0 0 0
- -1.1026 3.7288 -1.3191 O 0 0 0
- -4.2467 0.1613 -0.1367 C 0 0 0
- -3.8033 1.2749 2.0998 C 0 0 0
- -3.4357 -0.5055 -1.2496 C 0 0 0
- -5.0159 -0.9064 0.6437 C 0 0 0
- -5.2348 1.1549 -0.7511 C 0 0 0
- -2.8000 -1.7658 -0.7217 C 0 0 0
- -2.8371 -2.9255 -1.4727 C 0 0 0
- -2.1747 -1.7605 0.5114 C 0 0 0
- -2.2539 -4.0817 -0.9883 C 0 0 0
- -1.5917 -2.9163 0.9956 C 0 0 0
- -1.6338 -4.0778 0.2469 C 0 0 0
- 1.9856 -1.9011 0.0000 H 0 0 0
- 3.1396 -2.6261 0.0000 H 0 0 0
- 5.2487 -1.8894 0.0000 H 0 0 0
- 5.9466 -0.8757 0.0000 H 0 0 0
- 4.9329 -0.1778 0.0000 H 0 0 0
- 2.7462 -2.3360 0.0000 H 0 0 0
- 3.5941 -3.2279 0.0000 H 0 0 0
- 4.4860 -2.3800 0.0000 H 0 0 0
- 4.3905 0.1646 0.0000 H 0 0 0
- 4.3057 1.3924 0.0000 H 0 0 0
- 3.0779 1.3076 0.0000 H 0 0 0
- 2.1756 1.8485 0.0000 H 0 0 0
- 1.3613 2.5788 0.0000 H 0 0 0
- 3.2303 -2.1236 0.0000 H 0 0 0
- 2.0388 0.5746 0.0000 H 0 0 0
- 4.1080 -0.3833 0.0000 H 0 0 0
- 2.9113 2.3164 0.0000 H 0 0 0
- -1.1902 0.5571 0.0000 H 0 0 0
- -0.3183 0.8853 0.0000 H 0 0 0
- -0.7613 3.9630 0.0000 H 0 0 0
- -0.7787 3.0183 0.0000 H 0 0 0
- 4.0372 1.1798 0.0000 H 0 0 0
- 0.9329 4.0606 0.0000 H 0 0 0
- -0.0553 4.9372 0.0000 H 0 0 0
- -1.9368 3.4810 0.0000 H 0 0 0
- -3.2309 1.9304 0.0000 H 0 0 0
- -4.4588 1.8473 0.0000 H 0 0 0
- -4.3757 0.6194 0.0000 H 0 0 0
- -2.5684 -0.4342 0.0000 H 0 0 0
- -3.1760 0.3251 0.0000 H 0 0 0
- -5.7220 -0.3977 0.0000 H 0 0 0
- -5.5246 -1.6125 0.0000 H 0 0 0
- -4.3098 -1.4151 0.0000 H 0 0 0
- -4.6178 1.7685 0.0000 H 0 0 0
- -5.8484 1.7719 0.0000 H 0 0 0
- -5.8518 0.5413 0.0000 H 0 0 0
- -3.6868 -3.1134 0.0000 H 0 0 0
- -1.7216 -1.0175 0.0000 H 0 0 0
- -2.7078 -4.8242 0.0000 H 0 0 0
- -0.7416 -2.7302 0.0000 H 0 0 0
- -1.0277 -4.7023 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 6 10 2 0
- 8 11 1 0
- 8 12 2 0
- 9 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 17 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 19 22 2 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 24 26 1 0
- 24 27 1 0
- 24 28 1 0
- 26 29 1 0
- 29 30 2 0
- 29 31 1 0
- 30 32 1 0
- 31 33 2 0
- 32 34 2 0
- 15 18 2 0
- 33 34 1 0
- 3 35 1 0
- 3 36 1 0
- 4 37 1 0
- 4 38 1 0
- 4 39 1 0
- 5 40 1 0
- 5 41 1 0
- 5 42 1 0
- 7 43 1 0
- 7 44 1 0
- 7 45 1 0
- 9 46 1 0
- 9 47 1 0
- 11 48 1 0
- 12 49 1 0
- 14 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 17 54 1 0
- 17 55 1 0
- 18 56 1 0
- 20 57 1 0
- 20 58 1 0
- 23 59 1 0
- 25 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 27 65 1 0
- 27 66 1 0
- 27 67 1 0
- 28 68 1 0
- 28 69 1 0
- 28 70 1 0
- 30 71 1 0
- 31 72 1 0
- 32 73 1 0
- 33 74 1 0
- 34 75 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151-56-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 8 1 V2000
- 0.7650 -0.4620 0.0000 C 0 0 0
- -0.7650 -0.4620 0.0000 C 0 0 0
- 0.0000 0.7921 0.0000 N 0 0 0
- 0.9650 -1.5454 0.0000 H 0 0 0
- 1.7941 -0.0686 0.0000 H 0 0 0
- -1.7941 -0.0686 0.0000 H 0 0 0
- -0.9650 -1.5454 0.0000 H 0 0 0
- 0.0000 1.8939 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1522-92-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.0000 0.5883 0.1351 C 0 0 0
- -1.2492 0.4868 1.0126 C 0 0 0
- 1.2492 0.4868 1.0126 C 0 0 0
- 0.0000 -0.5513 -0.8859 C 0 0 0
- 0.0000 1.9307 -0.5989 C 0 0 0
- -2.8544 0.6172 -0.1150 Br 0 0 0
- 2.8544 0.6172 -0.1150 Br 0 0 0
- 0.0000 -2.2762 0.0574 Br 0 0 0
- 0.0000 2.9950 0.3547 O 0 0 0
- -1.7585 -0.3427 0.0000 H 0 0 0
- -0.7399 -0.3427 0.0000 H 0 0 0
- 0.7399 -0.3427 0.0000 H 0 0 0
- 1.7585 -0.3427 0.0000 H 0 0 0
- -0.8430 -0.0646 0.0000 H 0 0 0
- -0.8430 -1.0380 0.0000 H 0 0 0
- -0.8430 2.4174 0.0000 H 0 0 0
- -0.8430 1.4440 0.0000 H 0 0 0
- 0.0000 3.9684 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2921-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -1.9682 0.0100 0.1799 P 0 0 0
- -1.0440 -1.3079 0.1472 O 0 0 0
- -1.6917 0.8922 -1.1382 O 0 0 0
- -3.5185 -0.4226 0.2206 O 0 0 0
- -1.5637 1.0150 1.6962 S 0 0 0
- 0.2444 -0.8827 0.1137 C 0 0 0
- -1.8589 0.0227 -2.2598 C 0 0 0
- -4.2755 0.7724 0.4233 C 0 0 0
- 1.2755 -1.8140 0.0801 C 0 0 0
- 0.5060 0.4134 0.1079 N 0 0 0
- -1.6087 0.8031 -3.5518 C 0 0 0
- -5.7659 0.4298 0.4720 C 0 0 0
- 2.5863 -1.3678 0.0461 C 0 0 0
- 0.9252 -3.5143 0.0814 Cl 0 0 0
- 1.7447 0.8704 0.0757 C 0 0 0
- 2.8200 0.0009 0.0469 C 0 0 0
- 2.0268 2.5833 0.0697 Cl 0 0 0
- 4.4436 0.6141 0.0056 Cl 0 0 0
- -2.8544 -0.2782 0.0000 H 0 0 0
- -1.1297 -0.7188 0.0000 H 0 0 0
- -3.3399 1.2264 0.0000 H 0 0 0
- -4.6212 1.7532 0.0000 H 0 0 0
- -0.6184 0.4856 0.0000 H 0 0 0
- -1.2912 1.7934 0.0000 H 0 0 0
- -2.5990 1.1206 0.0000 H 0 0 0
- -5.9989 1.4433 0.0000 H 0 0 0
- -6.7794 0.1968 0.0000 H 0 0 0
- -5.5329 -0.5837 0.0000 H 0 0 0
- 3.3777 -2.0424 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 15 16 2 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-10-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 1.2476 -0.0617 0.2070 C 0 0 0
- 0.0749 0.8100 -0.2467 C 0 0 0
- 1.5705 -1.0884 -0.8805 C 0 0 0
- 2.4727 0.8205 0.4554 C 0 0 0
- -1.2214 0.0963 0.0384 C 0 0 0
- -2.5244 0.6788 -0.4452 C 0 0 0
- -1.2159 -0.9424 0.6544 O 0 0 0
- 0.3649 -0.6894 0.0000 H 0 0 0
- 0.8382 1.5785 0.0000 H 0 0 0
- -0.5772 1.6749 0.0000 H 0 0 0
- 0.5372 -1.4134 0.0000 H 0 0 0
- 1.8955 -2.1217 0.0000 H 0 0 0
- 2.6038 -0.7634 0.0000 H 0 0 0
- 3.1057 -0.0585 0.0000 H 0 0 0
- 3.3517 1.4535 0.0000 H 0 0 0
- 1.8397 1.6995 0.0000 H 0 0 0
- -2.0823 1.6677 0.0000 H 0 0 0
- -3.5133 1.1209 0.0000 H 0 0 0
- -2.9665 -0.3101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 5 7 2 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52898-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 87 88 1 V2000
- -7.8261 -0.3007 -0.1419 C 0 0 0
- -8.6094 -1.5341 0.0682 C 0 0 0
- -6.4123 -0.7054 -0.0315 C 0 0 0
- -8.2640 0.9565 -0.3372 C 0 0 0
- -7.6965 -2.5324 0.3441 C 0 0 0
- -10.0552 -1.7222 -0.0431 C 0 0 0
- -6.3933 -2.0229 0.2703 C 0 0 0
- -5.2111 0.1849 -0.2203 C 0 0 0
- -9.6911 1.3309 -0.2600 C 0 0 0
- -10.9447 -0.7734 0.2517 C 0 0 0
- -10.5670 -3.0583 -0.5162 C 0 0 0
- -3.9988 -0.5906 -0.0276 O 0 0 0
- -10.4888 0.5544 0.7499 C 0 0 0
- -9.8086 2.8046 0.0325 C 0 0 0
- -2.7988 -0.0012 -0.1475 C 0 0 0
- -9.2146 3.3717 1.2961 C 0 0 0
- -10.4272 3.5926 -0.8115 C 0 0 0
- -1.5406 -0.8061 0.0525 C 0 0 0
- -2.7275 1.1747 -0.4158 O 0 0 0
- -0.3211 0.0978 -0.1392 C 0 0 0
- 0.9564 -0.7194 0.0638 C 0 0 0
- 2.1758 0.1845 -0.1278 C 0 0 0
- 3.4533 -0.6327 0.0752 C 0 0 0
- 4.6728 0.2712 -0.1164 C 0 0 0
- 5.9502 -0.5460 0.0866 C 0 0 0
- 7.1697 0.3579 -0.1050 C 0 0 0
- 8.4472 -0.4593 0.0980 C 0 0 0
- 9.6666 0.4446 -0.0937 C 0 0 0
- 10.9441 -0.3725 0.1094 C 0 0 0
- 12.1636 0.5314 -0.0823 C 0 0 0
- 13.4410 -0.2858 0.1208 C 0 0 0
- 14.6605 0.6181 -0.0709 C 0 0 0
- 15.9379 -0.1991 0.1321 C 0 0 0
- 17.1574 0.7048 -0.0595 C 0 0 0
- 18.4349 -0.1124 0.1435 C 0 0 0
- -7.5075 1.7749 0.0000 H 0 0 0
- -7.9492 -3.6179 0.0000 H 0 0 0
- -5.4684 -2.6447 0.0000 H 0 0 0
- -4.5013 1.0442 0.0000 H 0 0 0
- -5.9782 0.9934 0.0000 H 0 0 0
- -10.7343 1.7231 0.0000 H 0 0 0
- -12.0344 -1.0070 0.0000 H 0 0 0
- -11.6078 -2.6596 0.0000 H 0 0 0
- -10.9657 -4.0991 0.0000 H 0 0 0
- -9.5262 -3.4570 0.0000 H 0 0 0
- -10.9273 1.5790 0.0000 H 0 0 0
- -11.6025 0.5134 0.0000 H 0 0 0
- -8.4450 2.5656 0.0000 H 0 0 0
- -8.4085 4.1413 0.0000 H 0 0 0
- -9.9842 4.1778 0.0000 H 0 0 0
- -10.0121 4.6269 0.0000 H 0 0 0
- -11.5305 3.4349 0.0000 H 0 0 0
- -2.2504 -1.6654 0.0000 H 0 0 0
- -0.7735 -1.6146 0.0000 H 0 0 0
- 0.3886 0.9571 0.0000 H 0 0 0
- -1.0882 0.9063 0.0000 H 0 0 0
- 0.2467 -1.5787 0.0000 H 0 0 0
- 1.7235 -1.5279 0.0000 H 0 0 0
- 2.8855 1.0438 0.0000 H 0 0 0
- 1.4087 0.9930 0.0000 H 0 0 0
- 2.7436 -1.4920 0.0000 H 0 0 0
- 4.2204 -1.4412 0.0000 H 0 0 0
- 5.3826 1.1305 0.0000 H 0 0 0
- 3.9057 1.0797 0.0000 H 0 0 0
- 5.2404 -1.4053 0.0000 H 0 0 0
- 6.7173 -1.3545 0.0000 H 0 0 0
- 7.8794 1.2172 0.0000 H 0 0 0
- 6.4026 1.1664 0.0000 H 0 0 0
- 7.7375 -1.3186 0.0000 H 0 0 0
- 9.2143 -1.2678 0.0000 H 0 0 0
- 10.3763 1.3039 0.0000 H 0 0 0
- 8.8995 1.2531 0.0000 H 0 0 0
- 10.2344 -1.2318 0.0000 H 0 0 0
- 11.7112 -1.1810 0.0000 H 0 0 0
- 12.8734 1.3907 0.0000 H 0 0 0
- 11.3965 1.3399 0.0000 H 0 0 0
- 12.7312 -1.1451 0.0000 H 0 0 0
- 14.2081 -1.0943 0.0000 H 0 0 0
- 15.3703 1.4774 0.0000 H 0 0 0
- 13.8934 1.4266 0.0000 H 0 0 0
- 15.2281 -1.0584 0.0000 H 0 0 0
- 16.7050 -1.0076 0.0000 H 0 0 0
- 17.8671 1.5641 0.0000 H 0 0 0
- 16.3903 1.5133 0.0000 H 0 0 0
- 17.8343 -1.0512 0.0000 H 0 0 0
- 19.3737 -0.7130 0.0000 H 0 0 0
- 19.0355 0.8264 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 15 19 2 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 31 32 1 0
- 32 33 1 0
- 33 34 1 0
- 34 35 1 0
- 5 7 1 0
- 10 13 1 0
- 4 36 1 0
- 5 37 1 0
- 7 38 1 0
- 8 39 1 0
- 8 40 1 0
- 9 41 1 0
- 10 42 1 0
- 11 43 1 0
- 11 44 1 0
- 11 45 1 0
- 13 46 1 0
- 13 47 1 0
- 16 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 18 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 24 63 1 0
- 24 64 1 0
- 25 65 1 0
- 25 66 1 0
- 26 67 1 0
- 26 68 1 0
- 27 69 1 0
- 27 70 1 0
- 28 71 1 0
- 28 72 1 0
- 29 73 1 0
- 29 74 1 0
- 30 75 1 0
- 30 76 1 0
- 31 77 1 0
- 31 78 1 0
- 32 79 1 0
- 32 80 1 0
- 33 81 1 0
- 33 82 1 0
- 34 83 1 0
- 34 84 1 0
- 35 85 1 0
- 35 86 1 0
- 35 87 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139953-77-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -3.3565 -0.5762 -0.0012 C 0 0 0
- -4.8265 -0.5536 -0.0008 C 0 0 0
- -2.9429 0.7548 0.0000 C 0 0 0
- -2.4483 -1.5651 0.0027 N 0 0 0
- -5.2031 0.8004 0.0005 C 0 0 0
- -5.8044 -1.5488 -0.0011 C 0 0 0
- -4.0571 1.5662 0.0009 N 0 0 0
- -1.5544 1.0314 0.0003 C 0 0 0
- -1.1860 -1.3205 0.0022 N 0 0 0
- -6.5567 1.1298 0.0006 C 0 0 0
- -7.1267 -1.2037 -0.0002 C 0 0 0
- -0.6938 -0.0106 -0.0004 N 0 0 0
- -1.1454 2.1805 0.0009 O 0 0 0
- -7.5054 0.1316 -0.0005 C 0 0 0
- 0.6880 0.2202 0.0000 N 0 0 0
- 1.5143 -0.7829 -0.0007 C 0 0 0
- 2.9674 -0.5402 -0.0003 C 0 0 0
- 3.8569 -1.6196 -0.0011 C 0 0 0
- 3.4579 0.7696 -0.0050 C 0 0 0
- 5.2140 -1.3895 -0.0007 C 0 0 0
- 4.8046 0.9971 -0.0045 C 0 0 0
- 5.6980 -0.0781 0.0005 C 0 0 0
- 7.1530 0.1715 0.0015 C 0 0 0
- 7.6197 1.4354 0.0026 O 0 0 0
- 7.9296 -0.7628 0.0012 O 0 0 0
- -5.5268 -2.5541 0.0000 H 0 0 0
- -4.0361 2.6089 0.0000 H 0 0 0
- -6.8510 2.1303 0.0000 H 0 0 0
- -7.8563 -1.9489 0.0000 H 0 0 0
- -8.5180 0.3813 0.0000 H 0 0 0
- 1.1487 -1.7596 0.0000 H 0 0 0
- 3.4926 -2.5968 0.0000 H 0 0 0
- 2.7941 1.5740 0.0000 H 0 0 0
- 5.8799 -2.1921 0.0000 H 0 0 0
- 5.1672 1.9749 0.0000 H 0 0 0
- 7.9810 2.4137 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 1 0
- 6 26 1 0
- 7 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21229-99-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.3992 -1.0069 -0.0022 C 0 0 0
- -1.1863 -1.7489 -0.2028 S 0 0 0
- 0.9116 -0.7967 1.2716 C 0 0 0
- 1.1395 -0.6372 -1.1183 C 0 0 0
- -2.2094 -0.3184 -0.0957 C 0 0 0
- 2.1541 -0.2151 1.4286 C 0 0 0
- 2.3816 -0.0558 -0.9610 C 0 0 0
- -3.5906 -0.4539 -0.0177 C 0 0 0
- -1.6371 0.9478 -0.0833 C 0 0 0
- 2.8913 0.1596 0.3131 C 0 0 0
- -4.3890 0.6691 0.0666 C 0 0 0
- -2.4421 2.0667 0.0012 C 0 0 0
- 4.1508 0.7491 0.4724 N 0 0 0
- -3.8161 1.9282 0.0734 C 0 0 0
- 4.9027 1.1313 -0.6650 O 0 0 0
- 1.3270 -1.7432 0.0000 H 0 0 0
- 0.6895 0.2933 0.0000 H 0 0 0
- 2.6074 -1.1440 0.0000 H 0 0 0
- 1.9613 0.8885 0.0000 H 0 0 0
- -4.0191 -1.3945 0.0000 H 0 0 0
- -0.6086 1.0506 0.0000 H 0 0 0
- -5.4179 0.5705 0.0000 H 0 0 0
- -2.0175 3.0091 0.0000 H 0 0 0
- 4.6041 -0.1798 0.0000 H 0 0 0
- -4.4184 2.7682 0.0000 H 0 0 0
- 5.8241 1.5997 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 7 10 1 0
- 12 14 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.4451 -0.1562 0.0037 C 0 0 0
- 1.2540 -1.2929 0.0029 C 0 0 0
- 1.0315 1.1102 0.0010 C 0 0 0
- -1.0267 -0.2926 0.0013 C 0 0 0
- 2.6274 -1.1588 -0.0006 C 0 0 0
- 2.4057 1.2306 -0.0025 C 0 0 0
- -1.7927 0.7894 0.0021 C 0 0 0
- 3.2024 0.0993 -0.0033 C 0 0 0
- -3.2932 0.6503 -0.0003 C 0 0 0
- -3.6432 -0.7351 -0.0033 O 0 0 0
- 0.8220 -2.2412 0.0000 H 0 0 0
- 0.4326 1.9630 0.0000 H 0 0 0
- -1.4622 -1.2393 0.0000 H 0 0 0
- 3.2326 -2.0071 0.0000 H 0 0 0
- 2.8448 2.1756 0.0000 H 0 0 0
- -1.3572 1.7361 0.0000 H 0 0 0
- 4.2400 0.1955 0.0000 H 0 0 0
- -3.2715 1.6921 0.0000 H 0 0 0
- -4.3259 0.7897 0.0000 H 0 0 0
- -3.8984 -1.7454 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 9 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-626-43-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -2.7012 1.1051 0.0002 Cl 0 0 0
- -1.1992 0.2347 -0.0015 C 0 0 0
- -0.0002 0.9253 0.0002 C 0 0 0
- -1.2021 -1.1478 0.0011 C 0 0 0
- 1.1992 0.2346 -0.0012 C 0 0 0
- -0.0001 -1.8434 -0.0003 C 0 0 0
- 2.7012 1.1051 0.0010 Cl 0 0 0
- 1.2022 -1.1475 -0.0047 C 0 0 0
- 0.0000 -3.2401 0.0023 N 0 0 0
- -0.0002 1.9669 0.0000 H 0 0 0
- -2.1049 -1.6672 0.0000 H 0 0 0
- 2.1051 -1.6668 0.0000 H 0 0 0
- -0.9020 -3.7610 0.0000 H 0 0 0
- 0.9021 -3.7608 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 1 0
- 8 5 2 0
- 9 6 1 0
- 6 8 1 0
- 3 10 1 0
- 4 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73341-53-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.2736 -0.2321 -0.0024 C 0 0 0
- -1.0455 -0.6345 -0.0015 N 0 0 0
- 0.2556 1.1740 -0.0014 C 0 0 0
- 1.4271 -0.8864 0.0008 N 0 0 0
- -1.8200 0.5004 0.0001 C 0 0 0
- -1.6291 -1.8701 -0.0019 C 0 0 0
- -1.0334 1.5653 0.0002 N 0 0 0
- 1.4739 1.8708 -0.0016 C 0 0 0
- 2.5825 -0.2453 -0.0007 C 0 0 0
- -3.2275 0.3800 0.0013 C 0 0 0
- -2.9718 -1.9974 -0.0007 C 0 0 0
- 2.6359 1.1490 -0.0028 C 0 0 0
- 3.7681 -0.9743 0.0033 N 0 0 0
- -3.7920 -0.8561 0.0009 C 0 0 0
- -4.0955 1.6119 0.0036 C 0 0 0
- 5.0135 -0.3005 0.0018 O 0 0 0
- -1.0359 -2.7151 0.0000 H 0 0 0
- 1.4926 2.9030 0.0000 H 0 0 0
- -3.3990 -2.9373 0.0000 H 0 0 0
- 3.5476 1.6334 0.0000 H 0 0 0
- 3.7395 -2.0063 0.0000 H 0 0 0
- -4.8195 -0.9565 0.0000 H 0 0 0
- -3.2515 2.2066 0.0000 H 0 0 0
- -4.6902 2.4559 0.0000 H 0 0 0
- -4.9395 1.0172 0.0000 H 0 0 0
- 5.9215 0.1908 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 13 16 1 0
- 5 7 2 0
- 9 12 1 0
- 11 14 1 0
- 6 17 1 0
- 8 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 0.0561 -0.1545 -0.0264 C 0 0 0
- 1.1753 -1.1161 -0.1570 C 0 0 0
- 0.3301 1.2779 -0.2860 C 0 0 0
- -1.1736 -0.5705 0.3123 C 0 0 0
- 2.3325 -0.9601 0.6266 C 0 0 0
- 1.0852 -2.1693 -1.0622 C 0 0 0
- 1.3032 1.9566 0.4696 C 0 0 0
- -0.3692 1.9500 -1.2834 C 0 0 0
- -1.9723 0.1308 1.3924 C 0 0 0
- -1.8208 -1.7561 -0.3746 C 0 0 0
- 2.4168 0.0702 1.6575 C 0 0 0
- 3.4082 -1.8359 0.4321 C 0 0 0
- 2.1473 -3.0369 -1.2191 C 0 0 0
- 1.9792 1.3103 1.5907 C 0 0 0
- 1.5993 3.2889 0.1563 C 0 0 0
- -0.0798 3.2719 -1.5581 C 0 0 0
- -3.3925 0.3578 0.8622 C 0 0 0
- -3.2542 -1.3640 -0.7503 C 0 0 0
- 3.3077 -2.8612 -0.4823 C 0 0 0
- 0.9094 3.9325 -0.8479 C 0 0 0
- -3.9730 -0.9233 0.4461 N 0 0 0
- -5.3532 -0.6451 0.0271 C 0 0 0
- 0.1885 -2.5487 0.0000 H 0 0 0
- -1.3008 1.6671 0.0000 H 0 0 0
- -1.1245 0.6095 0.0000 H 0 0 0
- -2.1445 1.0891 0.0000 H 0 0 0
- -2.1497 -2.6725 0.0000 H 0 0 0
- -0.9326 -2.1550 0.0000 H 0 0 0
- 3.3824 0.1953 0.0000 H 0 0 0
- 4.3069 -1.4613 0.0000 H 0 0 0
- 1.8901 -3.9759 0.0000 H 0 0 0
- 2.7970 1.8386 0.0000 H 0 0 0
- 2.5292 3.5773 0.0000 H 0 0 0
- -0.8840 3.8207 0.0000 H 0 0 0
- -3.1540 1.3018 0.0000 H 0 0 0
- -4.3115 0.6792 0.0000 H 0 0 0
- -4.0624 -1.9069 0.0000 H 0 0 0
- -3.0969 -2.3248 0.0000 H 0 0 0
- 4.0140 -3.5313 0.0000 H 0 0 0
- 0.9881 4.9029 0.0000 H 0 0 0
- -5.1608 0.3093 0.0000 H 0 0 0
- -6.3076 -0.4527 0.0000 H 0 0 0
- -5.5456 -1.5995 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 2 0
- 15 20 1 0
- 17 21 1 0
- 21 22 1 0
- 11 14 2 0
- 13 19 1 0
- 16 20 2 0
- 18 21 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 22 41 1 0
- 22 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 96 96 1 V2000
- 0.7183 4.4409 -0.0716 C 0 0 0
- -0.6293 4.2126 0.2654 C 0 0 0
- 1.3013 5.6713 0.2202 C 0 0 0
- 1.5116 3.3785 -0.7258 C 0 0 0
- -1.3629 5.2200 0.8864 C 0 0 0
- -1.2618 2.9113 -0.0387 C 0 0 0
- 0.5572 6.6594 0.8371 C 0 0 0
- 2.6665 2.9621 -0.1713 O 0 0 0
- 1.1221 2.8813 -1.7632 O 0 0 0
- -0.7673 6.4351 1.1683 C 0 0 0
- -2.5814 2.7389 0.1696 O 0 0 0
- -0.5916 1.9979 -0.4763 O 0 0 0
- 3.4455 1.9187 -0.8139 C 0 0 0
- -3.2027 1.4609 -0.1290 C 0 0 0
- 4.7003 1.6358 0.0146 C 0 0 0
- -4.6963 1.5319 0.1949 C 0 0 0
- 5.5212 0.5364 -0.6624 C 0 0 0
- -5.3509 0.1853 -0.1198 C 0 0 0
- 6.7760 0.2535 0.1661 C 0 0 0
- -6.8445 0.2562 0.2042 C 0 0 0
- 7.5969 -0.8459 -0.5109 C 0 0 0
- -7.4991 -1.0904 -0.1105 C 0 0 0
- 8.8517 -1.1289 0.3176 C 0 0 0
- -8.9927 -1.0195 0.2135 C 0 0 0
- 9.6726 -2.2283 -0.3594 C 0 0 0
- -9.6474 -2.3661 -0.1012 C 0 0 0
- 10.9274 -2.5112 0.4691 C 0 0 0
- -11.1410 -2.2951 0.2228 C 0 0 0
- 11.7483 -3.6106 -0.2080 C 0 0 0
- -11.7956 -3.6417 -0.0919 C 0 0 0
- 13.0031 -3.8935 0.6205 C 0 0 0
- -13.2892 -3.5708 0.2321 C 0 0 0
- 13.8240 -4.9929 -0.0565 C 0 0 0
- -13.9438 -4.9174 -0.0826 C 0 0 0
- 15.0788 -5.2759 0.7720 C 0 0 0
- -15.4374 -4.8465 0.2414 C 0 0 0
- 15.8997 -6.3753 0.0950 C 0 0 0
- -16.0920 -6.1931 -0.0733 C 0 0 0
- 2.3251 5.7756 0.0000 H 0 0 0
- -2.3881 5.1308 0.0000 H 0 0 0
- 0.9377 7.6155 0.0000 H 0 0 0
- -1.3830 7.2596 0.0000 H 0 0 0
- 2.4801 1.5623 0.0000 H 0 0 0
- 3.5133 0.8919 0.0000 H 0 0 0
- -3.3895 0.4489 0.0000 H 0 0 0
- -2.2251 1.1396 0.0000 H 0 0 0
- 5.6657 1.9922 0.0000 H 0 0 0
- 4.6325 2.6626 0.0000 H 0 0 0
- -4.5095 2.5439 0.0000 H 0 0 0
- -5.6739 1.8531 0.0000 H 0 0 0
- 4.5558 0.1800 0.0000 H 0 0 0
- 5.5890 -0.4904 0.0000 H 0 0 0
- -5.5376 -0.8267 0.0000 H 0 0 0
- -4.3733 -0.1359 0.0000 H 0 0 0
- 7.7414 0.6099 0.0000 H 0 0 0
- 6.7082 1.2803 0.0000 H 0 0 0
- -6.6578 1.2682 0.0000 H 0 0 0
- -7.8221 0.5774 0.0000 H 0 0 0
- 6.6315 -1.2023 0.0000 H 0 0 0
- 7.6647 -1.8727 0.0000 H 0 0 0
- -7.6858 -2.1024 0.0000 H 0 0 0
- -6.5215 -1.4116 0.0000 H 0 0 0
- 9.8171 -0.7725 0.0000 H 0 0 0
- 8.7839 -0.1021 0.0000 H 0 0 0
- -8.8060 -0.0075 0.0000 H 0 0 0
- -9.9703 -0.6982 0.0000 H 0 0 0
- 8.7072 -2.5847 0.0000 H 0 0 0
- 9.7404 -3.2551 0.0000 H 0 0 0
- -9.8342 -3.3781 0.0000 H 0 0 0
- -8.6698 -2.6874 0.0000 H 0 0 0
- 11.8928 -2.1548 0.0000 H 0 0 0
- 10.8596 -1.4844 0.0000 H 0 0 0
- -10.9542 -1.2831 0.0000 H 0 0 0
- -12.1186 -1.9739 0.0000 H 0 0 0
- 10.7829 -3.9670 0.0000 H 0 0 0
- 11.8161 -4.6374 0.0000 H 0 0 0
- -11.9823 -4.6537 0.0000 H 0 0 0
- -10.8180 -3.9629 0.0000 H 0 0 0
- 13.9685 -3.5371 0.0000 H 0 0 0
- 12.9353 -2.8667 0.0000 H 0 0 0
- -13.1025 -2.5588 0.0000 H 0 0 0
- -14.2668 -3.2496 0.0000 H 0 0 0
- 12.8586 -5.3493 0.0000 H 0 0 0
- 13.8918 -6.0197 0.0000 H 0 0 0
- -14.1305 -5.9294 0.0000 H 0 0 0
- -12.9662 -5.2386 0.0000 H 0 0 0
- 16.0442 -4.9195 0.0000 H 0 0 0
- 15.0110 -4.2491 0.0000 H 0 0 0
- -15.2507 -3.8345 0.0000 H 0 0 0
- -16.4150 -4.5253 0.0000 H 0 0 0
- 15.0752 -6.9910 0.0000 H 0 0 0
- 16.5154 -7.1999 0.0000 H 0 0 0
- 16.7243 -5.7596 0.0000 H 0 0 0
- -17.0175 -5.7432 0.0000 H 0 0 0
- -16.5419 -7.1186 0.0000 H 0 0 0
- -15.1665 -6.6430 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 33 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 7 10 1 0
- 3 39 1 0
- 5 40 1 0
- 7 41 1 0
- 10 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 24 66 1 0
- 25 67 1 0
- 25 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 27 72 1 0
- 28 73 1 0
- 28 74 1 0
- 29 75 1 0
- 29 76 1 0
- 30 77 1 0
- 30 78 1 0
- 31 79 1 0
- 31 80 1 0
- 32 81 1 0
- 32 82 1 0
- 33 83 1 0
- 33 84 1 0
- 34 85 1 0
- 34 86 1 0
- 35 87 1 0
- 35 88 1 0
- 36 89 1 0
- 36 90 1 0
- 37 91 1 0
- 37 92 1 0
- 37 93 1 0
- 38 94 1 0
- 38 95 1 0
- 38 96 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.3380 -0.0194 0.0030 C 0 0 0
- 0.3481 -1.2213 0.0016 C 0 0 0
- 0.3128 1.1284 0.0019 N 0 0 0
- -2.0740 -0.0220 -0.0012 Cl 0 0 0
- 1.7337 -1.2076 -0.0009 C 0 0 0
- 1.6309 1.1781 -0.0005 C 0 0 0
- 2.3821 0.0187 -0.0020 C 0 0 0
- -0.1686 -2.1215 0.0000 H 0 0 0
- 2.2737 -2.0940 0.0000 H 0 0 0
- 2.1094 2.0992 0.0000 H 0 0 0
- 3.4190 0.0646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-396-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.3804 0.5812 -0.0027 C 0 0 0
- -0.6330 -0.8136 -0.0009 C 0 0 0
- 0.9496 1.0350 -0.0023 C 0 0 0
- -1.4029 1.4421 0.0007 N 0 0 0
- 0.4444 -1.7150 0.0018 C 0 0 0
- -1.9654 -1.2654 -0.0013 C 0 0 0
- 1.9717 0.1332 -0.0001 C 0 0 0
- -2.6458 1.0242 0.0057 C 0 0 0
- 1.7195 -1.2398 0.0026 C 0 0 0
- -2.9630 -0.3317 -0.0035 C 0 0 0
- 3.2484 0.5750 -0.0001 F 0 0 0
- 1.1522 2.0496 0.0000 H 0 0 0
- 0.2694 -2.7347 0.0000 H 0 0 0
- -2.1838 -2.2767 0.0000 H 0 0 0
- -3.4111 1.7204 0.0000 H 0 0 0
- 2.5122 -1.9046 0.0000 H 0 0 0
- -3.9531 -0.6318 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-150-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.0279 -0.2859 0.0021 C 0 0 0
- -0.1753 -1.3802 0.0014 C 0 0 0
- -0.5067 0.9992 0.0016 C 0 0 0
- -2.3747 -0.4733 -0.0024 O 0 0 0
- 1.1926 -1.1898 0.0002 C 0 0 0
- 0.8617 1.1896 0.0004 C 0 0 0
- -2.9724 0.8247 -0.0004 C 0 0 0
- 1.7140 0.0957 -0.0002 C 0 0 0
- 3.0608 0.2831 -0.0014 O 0 0 0
- -0.5662 -2.3440 0.0000 H 0 0 0
- -1.1459 1.8196 0.0000 H 0 0 0
- 1.8318 -2.0102 0.0000 H 0 0 0
- 1.2526 2.1534 0.0000 H 0 0 0
- -2.0277 1.2597 0.0000 H 0 0 0
- -3.4074 1.7694 0.0000 H 0 0 0
- -3.9171 0.3897 0.0000 H 0 0 0
- 4.0909 0.4264 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.4332 0.3004 0.2293 C 0 0 0
- 0.8420 -0.9606 0.0925 C 0 0 0
- 2.9001 0.4233 0.3243 C 0 0 0
- 0.6293 1.4441 0.2698 C 0 0 0
- -0.5303 -1.0698 0.0036 C 0 0 0
- 1.8334 -2.3845 0.0343 Cl 0 0 0
- 3.5285 1.7526 0.3157 C 0 0 0
- 3.5900 -0.5751 0.4098 O 0 0 0
- -0.7386 1.3260 0.1751 C 0 0 0
- -1.3241 0.0708 0.0494 C 0 0 0
- -1.2668 -2.6326 -0.1661 Cl 0 0 0
- 3.8043 2.4472 -0.9929 C 0 0 0
- 3.8538 2.3426 1.4641 C 0 0 0
- -2.6738 -0.0403 -0.0392 O 0 0 0
- 4.8589 1.6615 -1.7750 C 0 0 0
- -3.2032 1.2849 0.0371 C 0 0 0
- -4.7064 1.2314 -0.0559 C 0 0 0
- -5.4227 2.3655 -0.0062 O 0 0 0
- -5.2668 0.1676 -0.1753 O 0 0 0
- 1.0680 2.3857 0.0000 H 0 0 0
- -1.3339 2.1773 0.0000 H 0 0 0
- 4.3498 3.3312 0.0000 H 0 0 0
- 2.8760 2.9134 0.0000 H 0 0 0
- 4.8924 2.3631 0.0000 H 0 0 0
- 3.3168 3.2318 0.0000 H 0 0 0
- 4.2383 0.8285 0.0000 H 0 0 0
- 5.6919 1.0409 0.0000 H 0 0 0
- 5.4795 2.4945 0.0000 H 0 0 0
- -2.2007 1.5572 0.0000 H 0 0 0
- -3.3588 2.3120 0.0000 H 0 0 0
- -5.9774 3.2438 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 13 2 0
- 10 14 1 0
- 12 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 9 10 1 0
- 4 20 1 0
- 9 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-112022-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- -0.8547 0.8412 0.1765 C 0 0 0
- -1.9887 1.5722 -0.2077 C 0 0 0
- 0.3573 1.5103 0.4047 C 0 0 0
- -0.9394 -0.6257 0.3457 C 0 0 0
- -3.2707 0.8763 -0.4501 C 0 0 0
- -1.9016 2.9554 -0.3593 C 0 0 0
- 0.4213 2.8955 0.2469 C 0 0 0
- 1.5610 0.7514 0.8110 C 0 0 0
- -2.2216 -1.3213 0.1092 C 0 0 0
- 0.0434 -1.2576 0.6781 O 0 0 0
- -3.3559 -0.5901 -0.2870 C 0 0 0
- -4.2530 1.5094 -0.7825 O 0 0 0
- -0.7017 3.6056 -0.1319 C 0 0 0
- 2.6152 0.6623 -0.0241 N 0 0 0
- 1.5991 0.2085 1.8976 O 0 0 0
- -2.3112 -2.7015 0.2663 C 0 0 0
- -4.5586 -1.2531 -0.5130 C 0 0 0
- 3.8068 -0.0890 0.3781 C 0 0 0
- -3.5165 -3.3443 0.0430 C 0 0 0
- -4.6288 -2.6268 -0.3578 C 0 0 0
- 4.8470 -0.0335 -0.7426 C 0 0 0
- 6.0419 -0.7868 -0.3393 N 0 0 0
- 5.6399 -2.1965 -0.2440 C 0 0 0
- 6.9952 -0.6940 -1.4531 C 0 0 0
- -2.7702 3.5104 0.0000 H 0 0 0
- 1.3354 3.3719 0.0000 H 0 0 0
- -0.6670 4.6358 0.0000 H 0 0 0
- 2.9428 1.6397 0.0000 H 0 0 0
- -1.4449 -3.2602 0.0000 H 0 0 0
- -5.4325 -0.7064 0.0000 H 0 0 0
- 3.0117 -0.7451 0.0000 H 0 0 0
- 4.1811 -1.0494 0.0000 H 0 0 0
- -3.5592 -4.3742 0.0000 H 0 0 0
- -5.5462 -3.0968 0.0000 H 0 0 0
- 5.6420 0.6226 0.0000 H 0 0 0
- 4.4727 0.9269 0.0000 H 0 0 0
- 4.6486 -1.9138 0.0000 H 0 0 0
- 5.3572 -3.1878 0.0000 H 0 0 0
- 6.6312 -2.4792 0.0000 H 0 0 0
- 7.0951 -1.7200 0.0000 H 0 0 0
- 8.0212 -0.5941 0.0000 H 0 0 0
- 6.8953 0.3320 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 14 18 1 0
- 16 19 2 0
- 17 20 2 0
- 18 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 7 13 1 0
- 9 11 2 0
- 19 20 1 0
- 6 25 1 0
- 7 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
- 23 37 1 0
- 23 38 1 0
- 23 39 1 0
- 24 40 1 0
- 24 41 1 0
- 24 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-71-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.0602 0.0000 0.0000 S 0 0 0
- 1.1130 0.0000 1.3835 C 0 0 0
- 1.1130 0.0000 -1.3835 C 0 0 0
- -0.7751 -1.2281 0.0000 O 0 0 0
- -0.7751 1.2281 0.0000 O 0 0 0
- 1.1130 -0.9728 0.0000 H 0 0 0
- 2.0858 0.0000 0.0000 H 0 0 0
- 1.1130 0.9728 0.0000 H 0 0 0
- 1.1130 -0.9728 0.0000 H 0 0 0
- 2.0858 0.0000 0.0000 H 0 0 0
- 1.1130 0.9728 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.8413 -0.3848 -0.2200 C 0 0 0
- 0.4993 -0.3848 0.3675 N 0 0 0
- 2.5691 0.8171 0.2188 C 0 0 0
- 2.5978 -1.6340 0.2361 C 0 0 0
- 1.7300 -0.3848 -1.7460 C 0 0 0
- -0.4993 -0.3848 -0.3675 N 0 0 0
- 3.1308 1.7447 0.5575 N 0 0 0
- -1.8413 -0.3848 0.2200 C 0 0 0
- -2.5691 0.8171 -0.2188 C 0 0 0
- -2.5978 -1.6340 -0.2361 C 0 0 0
- -1.7300 -0.3848 1.7460 C 0 0 0
- -3.1308 1.7447 -0.5575 N 0 0 0
- 1.7369 -2.1554 0.0000 H 0 0 0
- 3.1192 -2.4949 0.0000 H 0 0 0
- 3.4587 -1.1126 0.0000 H 0 0 0
- 1.7300 0.6217 0.0000 H 0 0 0
- 0.7235 -0.3848 0.0000 H 0 0 0
- 1.7300 -1.3913 0.0000 H 0 0 0
- -3.4587 -1.1126 0.0000 H 0 0 0
- -3.1192 -2.4949 0.0000 H 0 0 0
- -1.7369 -2.1554 0.0000 H 0 0 0
- -1.7300 -1.3913 0.0000 H 0 0 0
- -0.7235 -0.3848 0.0000 H 0 0 0
- -1.7300 0.6217 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 3 7 3 0
- 6 8 1 0
- 8 9 1 0
- 8 10 1 0
- 8 11 1 0
- 9 12 3 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2562-38-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.0477 -0.2392 -0.6249 C 0 0 0
- -1.2477 -0.0061 0.0184 N 0 3 0
- 0.8433 1.0772 -0.6678 C 0 0 0
- 0.8740 -1.2260 0.2256 C 0 0 0
- -2.2788 -0.2214 -0.5932 O 0 0 0
- -1.2936 0.4029 1.1647 O 0 5 0
- 2.1253 0.8444 0.1581 C 0 0 0
- 2.3243 -0.6913 0.1260 C 0 0 0
- -0.4453 -1.0887 0.0000 H 0 0 0
- 1.1345 2.0152 0.0000 H 0 0 0
- -0.0526 1.4798 0.0000 H 0 0 0
- 0.0538 -1.7663 0.0000 H 0 0 0
- 1.3169 -2.1026 0.0000 H 0 0 0
- 3.1072 0.8700 0.0000 H 0 0 0
- 2.2007 1.8237 0.0000 H 0 0 0
- 2.5943 -1.6357 0.0000 H 0 0 0
- 3.2862 -0.4927 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 7 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -2.7848 0.0001 -0.0014 N 0 0 0
- -1.3848 0.0001 -0.0014 C 0 0 0
- -0.6906 1.2025 0.0015 C 0 0 0
- -0.6904 -1.2026 0.0015 C 0 0 0
- 0.6906 1.2025 0.0015 C 0 0 0
- 0.6903 -1.2027 0.0015 C 0 0 0
- 1.3848 0.0001 -0.0014 C 0 0 0
- 2.7848 0.0001 -0.0014 N 0 0 0
- -3.3055 0.9020 0.0000 H 0 0 0
- -3.3055 -0.9018 0.0000 H 0 0 0
- -1.2113 2.1044 0.0000 H 0 0 0
- -1.2111 -2.1045 0.0000 H 0 0 0
- 1.2113 2.1044 0.0000 H 0 0 0
- 1.2110 -2.1046 0.0000 H 0 0 0
- 3.3055 -0.9018 0.0000 H 0 0 0
- 3.3055 0.9020 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 7 1 0
- 6 7 1 0
- 1 9 1 0
- 1 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-159092-71-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.5081 0.9885 0.0050 C 0 0 0
- -0.1728 -0.2499 -0.0021 C 0 0 0
- 1.9739 0.9862 -0.0070 C 0 0 0
- -0.2199 2.1791 0.0288 C 0 0 0
- 0.5630 -1.4578 -0.0200 C 0 0 0
- -1.5744 -0.2584 0.0092 C 0 0 0
- 2.6507 -0.2540 -0.0251 C 0 0 0
- 2.7060 2.1750 -0.0013 C 0 0 0
- -1.5853 2.1372 0.0451 C 0 0 0
- 1.9112 -1.4597 -0.0305 C 0 0 0
- -0.1630 -2.7478 -0.0268 N 0 3 0
- -2.2587 0.9218 0.0268 C 0 0 0
- 4.0527 -0.2668 -0.0367 C 0 0 0
- 4.0710 2.1290 -0.0134 C 0 0 0
- 0.1595 -3.6322 0.7462 O 0 0 0
- -1.0828 -2.9249 -0.8053 O 0 5 0
- -3.7388 0.9073 0.0387 N 0 3 0
- 4.7406 0.9111 -0.0303 C 0 0 0
- -4.3581 1.9560 0.0545 O 0 0 0
- -4.3375 -0.1534 0.0328 O 0 5 0
- 0.2769 3.0979 0.0000 H 0 0 0
- -2.0931 -1.1650 0.0000 H 0 0 0
- 2.2121 3.0953 0.0000 H 0 0 0
- -2.1293 3.0289 0.0000 H 0 0 0
- 2.4208 -2.3715 0.0000 H 0 0 0
- 4.5686 -1.1750 0.0000 H 0 0 0
- 4.6178 3.0190 0.0000 H 0 0 0
- 5.7850 0.8976 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 11 16 1 0
- 12 17 1 0
- 13 18 2 0
- 17 19 2 0
- 17 20 1 0
- 7 10 1 0
- 9 12 2 0
- 14 18 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33611-88-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6481 1.1309 0.0016 C 0 0 0
- 0.3661 -0.1311 0.0008 C 0 0 0
- 2.0941 1.3477 0.0015 C 0 0 0
- -0.3121 2.2280 -0.0030 C 0 0 0
- 1.6390 -0.8690 0.0002 C 0 0 0
- -1.0677 -0.4790 0.0008 C 0 0 0
- 2.6539 -0.0124 0.0008 C 0 0 0
- 2.5122 2.5889 0.0015 C 0 0 0
- -1.5867 1.9199 -0.0081 C 0 0 0
- 0.2544 3.5876 -0.0019 C 0 0 0
- 1.9193 -2.3170 -0.0013 C 0 0 0
- -1.9659 0.4897 0.0017 C 0 0 0
- -1.4585 -1.7765 -0.0007 N 0 3 0
- 4.0379 -0.5109 0.0012 C 0 0 0
- 1.5688 3.7187 0.0019 C 0 0 0
- 3.1571 -2.7576 -0.0017 C 0 0 0
- -3.2807 0.1621 0.0020 N 0 3 0
- -1.6338 -2.3608 1.0535 O 0 0 0
- -1.6343 -2.3583 -1.0562 O 0 5 0
- 4.2795 -1.8037 0.0006 C 0 0 0
- -4.1267 1.0383 0.0028 O 0 0 0
- -3.6165 -1.0087 0.0013 O 0 5 0
- 3.5110 2.7762 0.0000 H 0 0 0
- -2.2973 2.6464 0.0000 H 0 0 0
- -0.3506 4.4041 0.0000 H 0 0 0
- 1.1486 -2.9794 0.0000 H 0 0 0
- 4.8119 0.1476 0.0000 H 0 0 0
- 1.9531 4.6595 0.0000 H 0 0 0
- 3.3403 -3.7572 0.0000 H 0 0 0
- 5.2373 -2.1434 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 13 19 1 0
- 14 20 2 0
- 17 21 2 0
- 17 22 1 0
- 5 7 2 0
- 9 12 1 0
- 10 15 2 0
- 16 20 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-137-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 10 1 V2000
- -2.4739 0.4334 -0.0200 C 0 0 0
- -3.3777 -0.6859 0.4290 C 0 0 0
- -1.4431 0.1806 -0.6285 O 0 0 0
- -2.7736 1.5951 0.2196 O 0 0 0
- -2.7795 -2.0274 0.0007 C 0 0 0
- 7.4435 -0.0448 0.0705 Na 0 3 0
- -4.0406 0.0486 0.0000 H 0 0 0
- -4.2070 -1.2255 0.0000 H 0 0 0
- -3.6831 -2.4303 0.0000 H 0 0 0
- -2.3766 -2.9310 0.0000 H 0 0 0
- -1.8759 -1.6245 0.0000 H 0 0 0
- -3.0208 2.5531 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 7 1 0
- 2 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.8629 -0.0248 0.0037 C 0 0 0
- -0.2774 -1.2780 0.0034 C 0 0 0
- -0.0758 1.1132 0.0024 C 0 0 0
- -2.3377 0.0994 -0.0006 N 0 3 0
- 1.0971 -1.4006 0.0017 C 0 0 0
- 1.2995 1.0043 0.0007 C 0 0 0
- -2.8560 1.2016 -0.0003 O 0 0 0
- -3.0331 -0.9006 -0.0045 O 0 5 0
- 1.8964 -0.2571 0.0004 C 0 0 0
- 3.3694 -0.3812 -0.0019 C 0 0 0
- 4.1262 0.7072 -0.0032 C 0 0 0
- -0.8728 -2.1275 0.0000 H 0 0 0
- -0.5208 2.0503 0.0000 H 0 0 0
- 1.5351 -2.3410 0.0000 H 0 0 0
- 1.8886 1.8582 0.0000 H 0 0 0
- 3.8109 -1.3200 0.0000 H 0 0 0
- 5.1600 0.6202 0.0000 H 0 0 0
- 3.6847 1.6460 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 2 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1116-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- -0.1462 0.1598 -0.2899 N 0 0 0
- 0.1892 -1.1830 -0.7824 C 0 0 0
- 0.8533 1.0776 -0.8524 C 0 0 0
- -1.4366 0.5202 -0.8923 C 0 0 0
- 1.0419 -1.9100 0.2593 C 0 0 0
- 1.9929 1.2676 0.1507 C 0 0 0
- -2.5697 0.1344 0.0606 C 0 0 0
- 0.1424 -2.4263 1.3842 C 0 0 0
- 1.7594 -3.0887 -0.4016 C 0 0 0
- 3.1603 1.9822 -0.5331 C 0 0 0
- 1.4998 2.1091 1.3294 C 0 0 0
- -2.5506 1.0616 1.2776 C 0 0 0
- -3.9117 0.2689 -0.6619 C 0 0 0
- -0.7596 -1.1144 0.0000 H 0 0 0
- -0.1717 -2.0632 0.0000 H 0 0 0
- 1.0104 2.0158 0.0000 H 0 0 0
- 0.0171 1.5311 0.0000 H 0 0 0
- -0.9028 1.3076 0.0000 H 0 0 0
- -2.0135 1.2766 0.0000 H 0 0 0
- 1.7659 -1.2930 0.0000 H 0 0 0
- 2.3256 0.3764 0.0000 H 0 0 0
- -2.4614 -0.8107 0.0000 H 0 0 0
- -0.3312 -1.6013 0.0000 H 0 0 0
- -0.6826 -2.8999 0.0000 H 0 0 0
- 0.6160 -3.2513 0.0000 H 0 0 0
- 0.9468 -3.5833 0.0000 H 0 0 0
- 2.2540 -3.9013 0.0000 H 0 0 0
- 2.5720 -2.5941 0.0000 H 0 0 0
- 3.6569 1.1709 0.0000 H 0 0 0
- 3.9716 2.4788 0.0000 H 0 0 0
- 2.6637 2.7935 0.0000 H 0 0 0
- 2.3206 2.5900 0.0000 H 0 0 0
- 1.0189 2.9299 0.0000 H 0 0 0
- 0.6790 1.6282 0.0000 H 0 0 0
- -1.5995 1.0420 0.0000 H 0 0 0
- -2.5310 2.0127 0.0000 H 0 0 0
- -3.5017 1.0812 0.0000 H 0 0 0
- -3.8168 1.2154 0.0000 H 0 0 0
- -4.8582 0.3638 0.0000 H 0 0 0
- -4.0066 -0.6776 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 13 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5907-38-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- -3.5115 0.1439 -0.5169 N 0 0 0
- -4.3485 1.2424 -0.2978 C 0 0 0
- -2.6308 -0.3723 0.3640 C 0 0 0
- -3.4425 -0.6209 -1.6889 N 0 0 0
- -3.9094 2.5242 -0.6041 C 0 0 0
- -5.6228 1.0537 0.2212 C 0 0 0
- -1.9917 -1.4746 -0.2598 C 0 0 0
- -2.4217 0.0345 1.4928 O 0 0 0
- -2.5012 -1.6045 -1.5031 C 0 0 0
- -4.2365 -0.4089 -2.9017 C 0 0 0
- -4.7384 3.6068 -0.3865 C 0 0 0
- -6.4471 2.1410 0.4364 C 0 0 0
- -0.9994 -2.2937 0.3191 N 0 0 0
- -2.1076 -2.6514 -2.5131 C 0 0 0
- -6.0048 3.4160 0.1358 C 0 0 0
- 0.4177 -1.9938 0.0997 C 0 0 0
- -1.3862 -3.4442 1.1395 C 0 0 0
- 0.8872 -0.5417 1.0803 S 0 0 0
- 0.4848 -0.6735 2.4367 O 0 0 0
- 2.1735 -0.0587 0.7177 O 0 0 0
- -0.0411 0.5450 0.5570 O 0 0 0
- 10.9979 0.4295 -0.0368 O 0 0 0
- 19.5925 1.1884 -0.7823 Na 0 3 0
- -2.9564 2.6797 0.0000 H 0 0 0
- -5.9877 0.1597 0.0000 H 0 0 0
- -3.9874 0.5240 0.0000 H 0 0 0
- -5.1694 -0.1598 0.0000 H 0 0 0
- -4.4856 -1.3418 0.0000 H 0 0 0
- -4.3768 4.5021 0.0000 H 0 0 0
- -7.4008 1.9897 0.0000 H 0 0 0
- -3.0114 -2.9912 0.0000 H 0 0 0
- -1.7678 -3.5552 0.0000 H 0 0 0
- -1.2038 -2.3116 0.0000 H 0 0 0
- -6.6218 4.1587 0.0000 H 0 0 0
- 0.4513 -2.9588 0.0000 H 0 0 0
- 1.3740 -2.1275 0.0000 H 0 0 0
- -2.3014 -3.1365 0.0000 H 0 0 0
- -1.6939 -4.3594 0.0000 H 0 0 0
- -0.4710 -3.7519 0.0000 H 0 0 0
- 10.0323 0.4295 0.0000 H 0 0 0
- 11.9635 0.4295 0.0000 H 0 0 0
- -0.6683 1.2792 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 13 17 1 0
- 16 18 1 0
- 18 19 2 0
- 18 20 2 0
- 18 21 1 0
- 7 9 2 0
- 12 15 2 0
- 5 24 1 0
- 6 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 14 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 22 40 1 0
- 22 41 1 0
- 21 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-84-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.2088 -0.9912 -0.7989 C 0 0 0
- -1.5363 -0.2664 0.5081 C 0 0 0
- 0.2627 -1.4101 -0.7949 C 0 0 0
- -2.2500 -2.4553 -0.9515 Cl 0 0 0
- -0.6527 0.9760 0.6375 C 0 0 0
- -3.4272 0.2719 0.5029 Br 0 0 0
- 1.1463 -0.1677 -0.6655 C 0 0 0
- 0.5974 -2.6133 0.7235 Br 0 0 0
- 0.8188 0.5570 0.6416 C 0 0 0
- -0.9874 2.1791 -0.8809 Br 0 0 0
- 3.0372 -0.7060 -0.6602 Br 0 0 0
- 1.9541 2.1534 0.8079 Br 0 0 0
- -0.4605 -0.1239 0.0000 H 0 0 0
- -2.2846 -1.1337 0.0000 H 0 0 0
- 1.3910 -1.6078 0.0000 H 0 0 0
- -1.7810 1.1737 0.0000 H 0 0 0
- 1.8945 0.6996 0.0000 H 0 0 0
- 0.0705 -0.3103 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 1 0
- 1 13 1 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-132335-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- -0.2466 1.1289 -0.1073 C 0 0 0
- 0.4512 -0.0376 -0.0645 C 0 0 0
- 0.4827 2.4526 -0.1770 C 0 0 0
- -1.6616 1.1435 -0.0943 C 0 0 0
- 1.9334 -0.0723 -0.0835 C 0 0 0
- -0.2680 -1.3199 0.0028 C 0 0 0
- 2.0182 2.4343 -0.1907 C 0 0 0
- 1.2635 2.6390 1.0531 N 0 0 0
- -2.3976 -0.0594 -0.0364 C 0 0 0
- -2.3534 2.3657 -0.1389 C 0 0 0
- 2.6995 1.0868 -0.1429 C 0 0 0
- 2.5774 -1.3138 -0.0397 C 0 0 0
- -1.6769 -1.3350 0.0227 C 0 0 0
- 0.4331 -2.5300 0.0470 C 0 0 0
- -3.7938 -0.0182 -0.0247 C 0 0 0
- -3.7166 2.3736 -0.1260 C 0 0 0
- 4.0768 1.0140 -0.1584 C 0 0 0
- 3.9541 -1.3777 -0.0562 C 0 0 0
- -2.3551 -2.5544 0.0863 C 0 0 0
- -0.2554 -3.7074 0.1086 C 0 0 0
- -4.4367 1.1860 -0.0693 C 0 0 0
- 4.7059 -0.2176 -0.1149 C 0 0 0
- -1.6447 -3.7204 0.1287 C 0 0 0
- -0.1499 3.2834 0.0000 H 0 0 0
- 2.6779 3.2438 0.0000 H 0 0 0
- 1.2794 3.6831 0.0000 H 0 0 0
- -1.8248 3.2663 0.0000 H 0 0 0
- 2.0145 -2.1933 0.0000 H 0 0 0
- 1.4774 -2.5321 0.0000 H 0 0 0
- -4.3440 -0.9057 0.0000 H 0 0 0
- -4.2264 3.2850 0.0000 H 0 0 0
- 4.6453 1.8900 0.0000 H 0 0 0
- 4.4314 -2.3065 0.0000 H 0 0 0
- -3.3992 -2.5751 0.0000 H 0 0 0
- 0.2685 -4.6108 0.0000 H 0 0 0
- -5.4806 1.2146 0.0000 H 0 0 0
- 5.7488 -0.2712 0.0000 H 0 0 0
- -2.1519 -4.6332 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 17 22 2 0
- 19 23 2 0
- 7 8 1 0
- 7 11 1 0
- 9 13 1 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 3 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3688-53-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.6409 1.2667 -0.0906 C 0 0 0
- -0.7414 1.2900 -0.1267 C 0 0 0
- 1.4194 0.1630 -0.0227 O 0 0 0
- 1.4961 2.3928 -0.1243 C 0 0 0
- -1.4731 0.0776 -0.0518 C 0 0 0
- 2.7057 0.5264 -0.0065 C 0 0 0
- 2.7891 1.9044 -0.0682 C 0 0 0
- -2.8627 0.1041 -0.0412 C 0 0 0
- -0.7549 -1.2198 0.0154 C 0 0 0
- 3.8580 -0.4005 0.0631 N 0 3 0
- -3.7545 -0.4299 -1.0752 C 0 0 0
- -3.6515 0.6220 0.9277 O 0 0 0
- -0.7968 -1.9556 1.1438 N 0 0 0
- -0.1295 -1.6183 -0.9466 O 0 0 0
- 4.9937 0.0394 0.0722 O 0 0 0
- 3.6398 -1.7985 0.1190 O 0 5 0
- -5.0361 -0.1765 -0.6318 C 0 0 0
- -4.9354 0.4663 0.5936 C 0 0 0
- -1.2319 2.1763 0.0000 H 0 0 0
- 1.2161 3.3663 0.0000 H 0 0 0
- 3.6394 2.4549 0.0000 H 0 0 0
- -3.5810 -1.4279 0.0000 H 0 0 0
- -1.7014 -2.4114 0.0000 H 0 0 0
- 0.0502 -2.5111 0.0000 H 0 0 0
- -5.8663 -0.7569 0.0000 H 0 0 0
- -5.6391 1.1949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 9 14 2 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 6 7 2 0
- 17 18 2 0
- 2 19 1 0
- 4 20 1 0
- 7 21 1 0
- 11 22 1 0
- 13 23 1 0
- 13 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-548-83-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.6402 0.4885 0.0099 C 0 0 0
- -1.1315 -0.8217 -0.0274 C 0 0 0
- -0.6896 1.6108 0.0450 C 0 0 0
- -3.0244 0.7076 0.0190 C 0 0 0
- 0.2026 -1.0241 -0.0309 O 0 0 0
- -2.0113 -1.8931 -0.0608 C 0 0 0
- 0.6954 1.2944 0.0389 C 0 0 0
- -1.0756 2.7681 0.0785 O 0 0 0
- -3.8848 -0.3736 -0.0089 C 0 0 0
- -3.5162 1.9720 0.0555 O 0 0 0
- 1.0838 -0.0099 0.0005 C 0 0 0
- -3.3788 -1.6685 -0.0572 C 0 0 0
- 1.6258 2.2866 0.0697 O 0 0 0
- 2.5263 -0.3217 -0.0054 C 0 0 0
- -4.2331 -2.7230 -0.0900 O 0 0 0
- 3.1490 -0.7837 1.1564 C 0 0 0
- 3.2743 -0.1616 -1.1745 C 0 0 0
- 4.4976 -1.0736 1.1435 C 0 0 0
- 4.6217 -0.4553 -1.1728 C 0 0 0
- 5.2332 -0.9077 -0.0166 C 0 0 0
- -1.6491 -2.8546 0.0000 H 0 0 0
- -4.9008 -0.2202 0.0000 H 0 0 0
- -3.8887 2.9296 0.0000 H 0 0 0
- 2.3286 3.0361 0.0000 H 0 0 0
- -4.8799 -3.5214 0.0000 H 0 0 0
- 2.7253 -1.7198 0.0000 H 0 0 0
- 3.2762 0.8659 0.0000 H 0 0 0
- 4.5028 -2.1011 0.0000 H 0 0 0
- 5.0461 0.4804 0.0000 H 0 0 0
- 6.2386 -1.1194 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 7 11 2 0
- 9 12 1 0
- 19 20 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 13 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148193-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.0886 0.1398 0.0025 C 0 0 0
- -0.4616 -1.2239 0.0015 C 0 0 0
- 1.3502 0.3299 0.0002 C 0 0 0
- -1.1355 1.0898 0.0001 C 0 0 0
- -1.7813 -1.6233 0.0034 C 0 0 0
- 1.1026 -2.0579 -0.0023 S 0 0 0
- 2.1401 -0.7007 -0.0025 N 0 0 0
- 2.0147 1.9337 0.0015 Cl 0 0 0
- -2.4466 0.6737 -0.0030 C 0 0 0
- -2.7754 -0.6826 0.0063 C 0 0 0
- -3.4701 1.6284 -0.0053 N 0 0 0
- -0.9106 2.1206 0.0000 H 0 0 0
- -2.0238 -2.6500 0.0000 H 0 0 0
- -3.7871 -0.9818 0.0000 H 0 0 0
- -3.2326 2.6563 0.0000 H 0 0 0
- -4.4790 1.3201 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 9 11 1 0
- 6 7 1 0
- 9 10 1 0
- 4 12 1 0
- 5 13 1 0
- 10 14 1 0
- 11 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96839-34-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.0001 -0.1241 0.1218 C 0 0 0
- -1.1966 0.5650 0.0649 C 0 0 0
- 1.1977 0.5644 0.0643 C 0 0 0
- -0.0004 -1.6254 0.2528 C 0 0 0
- -1.1962 1.9428 -0.0495 C 0 0 0
- -2.4787 -0.1722 0.1260 N 0 3 0
- 1.1981 1.9418 -0.0501 C 0 0 0
- 2.4793 -0.1736 0.1256 N 0 3 0
- -0.0041 -2.2171 -1.0479 O 0 0 0
- 0.0010 2.6311 -0.1065 C 0 0 0
- -3.2582 -0.1166 -0.8082 O 0 0 0
- -2.7542 -0.8344 1.1105 O 0 5 0
- 2.7541 -0.8360 1.1101 O 0 0 0
- 3.2591 -0.1184 -0.8083 O 0 5 0
- 0.8933 -2.1465 0.0000 H 0 0 0
- 0.8967 -1.1102 0.0000 H 0 0 0
- -2.0916 2.4610 0.0000 H 0 0 0
- 2.0938 2.4594 0.0000 H 0 0 0
- -0.0106 -3.2516 0.0000 H 0 0 0
- 0.0013 3.6656 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 7 10 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- 1.3694 1.3166 0.0999 C 0 0 0
- -0.0764 0.8296 0.2157 C 0 0 0
- 2.3179 0.1177 0.1615 C 0 0 0
- -1.0106 2.0105 0.1551 C 0 0 0
- 3.7636 0.6047 0.0457 C 0 0 0
- -2.1622 1.9038 -0.4604 C 0 0 0
- 4.7121 -0.5942 0.1073 C 0 0 0
- -3.1716 0.8846 0.0013 C 0 0 0
- 6.1579 -0.1072 -0.0085 C 0 0 0
- -4.4413 1.5851 0.4113 C 0 0 0
- 7.1064 -1.3061 0.0531 C 0 0 0
- -5.5674 1.3104 -0.1990 C 0 0 0
- 8.5305 -0.8264 -0.0610 C 0 0 0
- -6.1103 -0.0953 -0.1820 C 0 0 0
- 9.5407 -1.7098 -0.0311 O 0 0 0
- 8.7629 0.3533 -0.1794 O 0 0 0
- -7.6364 -0.0514 -0.0821 C 0 0 0
- -8.1875 -1.4786 -0.0648 C 0 0 0
- -9.7136 -1.4348 0.0351 C 0 0 0
- -10.2648 -2.8620 0.0523 C 0 0 0
- 2.3421 1.9190 0.0000 H 0 0 0
- 0.8824 2.3519 0.0000 H 0 0 0
- -1.0491 0.2272 0.0000 H 0 0 0
- 0.4106 -0.2057 0.0000 H 0 0 0
- 1.3452 -0.4847 0.0000 H 0 0 0
- 2.8049 -0.9176 0.0000 H 0 0 0
- -0.5602 3.0623 0.0000 H 0 0 0
- 4.7363 1.2071 0.0000 H 0 0 0
- 3.2766 1.6400 0.0000 H 0 0 0
- -2.6509 2.9383 0.0000 H 0 0 0
- 3.7394 -1.1966 0.0000 H 0 0 0
- 5.1991 -1.6295 0.0000 H 0 0 0
- -3.8141 -0.0621 0.0000 H 0 0 0
- -2.2880 0.1577 0.0000 H 0 0 0
- 7.1306 0.4952 0.0000 H 0 0 0
- 5.6709 0.9281 0.0000 H 0 0 0
- -4.2902 2.7192 0.0000 H 0 0 0
- 6.1337 -1.9085 0.0000 H 0 0 0
- 7.5934 -2.3414 0.0000 H 0 0 0
- -6.3225 2.1700 0.0000 H 0 0 0
- -6.2723 -1.2279 0.0000 H 0 0 0
- -5.0032 -0.3842 0.0000 H 0 0 0
- 10.4020 -2.4630 0.0000 H 0 0 0
- -7.4745 1.0812 0.0000 H 0 0 0
- -8.7435 0.2375 0.0000 H 0 0 0
- -8.3494 -2.6112 0.0000 H 0 0 0
- -7.0804 -1.7675 0.0000 H 0 0 0
- -9.5517 -0.3022 0.0000 H 0 0 0
- -10.8207 -1.1459 0.0000 H 0 0 0
- -11.3321 -2.4498 0.0000 H 0 0 0
- -10.6770 -3.9293 0.0000 H 0 0 0
- -9.1975 -3.2742 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 1 21 1 0
- 1 22 1 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 12 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 17 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 19 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 20 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129176-05-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.6941 0.9505 -0.4950 C 0 0 1
- -2.2141 0.7756 -0.5053 C 0 0 2
- -1.5324 1.4820 0.5331 O 0 0 0
- -0.0358 -0.3390 -0.0004 C 0 0 0
- -2.6323 -0.8814 0.0693 Cl 0 0 0
- 1.9173 -0.1143 0.0129 Br 0 0 0
- 0.1314 1.7025 0.0000 H 0 0 0
- -3.1901 1.3182 0.0000 H 0 0 0
- -1.0837 -0.7249 0.0000 H 0 0 0
- 0.2228 -1.4253 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 2 3 1 0
- 1 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -0.9413 -0.0235 -0.0292 C 0 0 0
- -0.4182 -1.3033 -0.0164 C 0 0 0
- -0.0906 1.0688 -0.0218 C 0 0 0
- -2.4533 -0.0893 -0.0565 C 0 0 0
- -1.5431 -2.3160 -0.0283 C 0 0 0
- 0.9540 -1.4867 0.0038 C 0 0 0
- 1.2783 0.8837 -0.0018 C 0 0 0
- -0.6495 2.4392 -0.0360 N 0 3 0
- -2.7871 -1.5297 -0.4991 C 0 0 0
- -3.0218 0.1830 1.3376 C 0 0 0
- -3.0104 0.9183 -1.0643 C 0 0 0
- -1.2315 -3.4440 -1.0139 C 0 0 0
- -1.7612 -2.8839 1.3755 C 0 0 0
- 1.8012 -0.3956 0.0111 C 0 0 0
- 2.2005 2.0756 0.0062 C 0 0 0
- -1.0320 2.9517 1.0007 O 0 0 0
- -0.7270 3.0546 -1.0843 O 0 5 0
- 3.2676 -0.5963 0.0330 N 0 3 0
- 3.8299 -1.0848 -0.9307 O 0 0 0
- 3.9119 -0.2730 1.0148 O 0 5 0
- 1.3470 -2.4458 0.0000 H 0 0 0
- -3.7644 -1.1843 0.0000 H 0 0 0
- -3.2395 -2.4623 0.0000 H 0 0 0
- -2.5740 1.1178 0.0000 H 0 0 0
- -3.9566 0.6308 0.0000 H 0 0 0
- -3.4696 -0.7518 0.0000 H 0 0 0
- -2.1033 1.4198 0.0000 H 0 0 0
- -3.5119 1.8254 0.0000 H 0 0 0
- -3.9175 0.4168 0.0000 H 0 0 0
- -2.2306 -3.7200 0.0000 H 0 0 0
- -0.9555 -4.4431 0.0000 H 0 0 0
- -0.2324 -3.1680 0.0000 H 0 0 0
- -2.7288 -2.5123 0.0000 H 0 0 0
- -2.1328 -3.8515 0.0000 H 0 0 0
- -0.7936 -3.2555 0.0000 H 0 0 0
- 3.0203 1.4413 0.0000 H 0 0 0
- 2.8348 2.8954 0.0000 H 0 0 0
- 1.3807 2.7099 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 14 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 9 1 0
- 7 14 2 0
- 6 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 13 35 1 0
- 15 36 1 0
- 15 37 1 0
- 15 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-502-65-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 96 95 1 V2000
- -7.7656 0.8277 -0.4913 C 0 0 0
- -6.6313 0.0679 -0.4971 C 0 0 0
- -9.0270 0.2074 -0.4961 C 0 0 0
- -7.6654 2.3312 -0.4734 C 0 0 0
- -5.3738 0.6864 -0.4923 C 0 0 0
- -10.1563 0.9638 -0.4902 C 0 0 0
- -4.2294 -0.0801 -0.4982 C 0 0 0
- -11.4283 0.3382 -0.4951 C 0 0 0
- -2.9735 0.5375 -0.4934 C 0 0 0
- -12.5388 1.0820 -0.4894 C 0 0 0
- -1.8281 -0.2297 -0.4993 C 0 0 0
- -2.8732 2.0411 -0.4818 C 0 0 0
- -13.8912 0.4170 -0.4945 C 0 0 0
- -12.4386 2.5857 -0.4777 C 0 0 0
- -0.5729 0.3875 -0.4946 C 0 0 0
- -14.3488 0.1809 0.9462 C 0 0 0
- 0.5729 -0.3798 -0.5005 C 0 0 0
- -15.7011 -0.4841 0.9411 C 0 0 0
- 1.8281 0.2374 -0.4957 C 0 0 0
- -15.8814 -1.6069 1.5914 C 0 0 0
- 2.9735 -0.5298 -0.5016 C 0 0 0
- -16.2671 -2.8572 0.8437 C 0 0 0
- -15.7031 -1.6483 3.0872 C 0 0 0
- 4.2294 0.0878 -0.4968 C 0 0 0
- 2.8732 -2.0334 -0.5132 C 0 0 0
- 5.3738 -0.6787 -0.5027 C 0 0 0
- 6.6313 -0.0603 -0.4979 C 0 0 0
- 7.7656 -0.8200 -0.5038 C 0 0 0
- 9.0270 -0.1997 -0.4990 C 0 0 0
- 7.6654 -2.3236 -0.5154 C 0 0 0
- 10.1563 -0.9561 -0.5048 C 0 0 0
- 11.4283 -0.3305 -0.5000 C 0 0 0
- 12.5389 -1.0744 -0.5057 C 0 0 0
- 13.8912 -0.4094 -0.5005 C 0 0 0
- 12.4386 -2.5780 -0.5173 C 0 0 0
- 14.3488 -0.1955 0.9437 C 0 0 0
- 15.7011 0.4695 0.9488 C 0 0 0
- 15.8814 1.5822 1.6164 C 0 0 0
- 15.6994 1.6013 3.1123 C 0 0 0
- 16.2707 2.8430 0.8886 C 0 0 0
- -6.7011 -0.9788 0.0000 H 0 0 0
- -9.0968 -0.8393 0.0000 H 0 0 0
- -6.6187 2.2614 0.0000 H 0 0 0
- -7.5956 3.3779 0.0000 H 0 0 0
- -8.7121 2.4010 0.0000 H 0 0 0
- -5.3041 1.7331 0.0000 H 0 0 0
- -10.0865 2.0105 0.0000 H 0 0 0
- -4.2992 -1.1268 0.0000 H 0 0 0
- -11.4980 -0.7085 0.0000 H 0 0 0
- -1.8979 -1.2764 0.0000 H 0 0 0
- -1.8265 1.9713 0.0000 H 0 0 0
- -2.8034 3.0878 0.0000 H 0 0 0
- -3.9199 2.1109 0.0000 H 0 0 0
- -13.8281 1.4642 0.0000 H 0 0 0
- -14.7702 0.9895 0.0000 H 0 0 0
- -11.3919 2.5159 0.0000 H 0 0 0
- -12.3688 3.6324 0.0000 H 0 0 0
- -13.4853 2.6555 0.0000 H 0 0 0
- -0.5031 1.4342 0.0000 H 0 0 0
- -14.4118 -0.8663 0.0000 H 0 0 0
- -13.4698 -0.3916 0.0000 H 0 0 0
- 0.5031 -1.4265 0.0000 H 0 0 0
- -16.5447 0.1394 0.0000 H 0 0 0
- 1.8979 1.2841 0.0000 H 0 0 0
- -17.2695 -2.5480 0.0000 H 0 0 0
- -16.5763 -3.8596 0.0000 H 0 0 0
- -15.2647 -3.1664 0.0000 H 0 0 0
- -15.9404 -2.6702 0.0000 H 0 0 0
- -14.6812 -1.8856 0.0000 H 0 0 0
- -15.4658 -0.6264 0.0000 H 0 0 0
- 4.2992 1.1345 0.0000 H 0 0 0
- 1.8265 -1.9636 0.0000 H 0 0 0
- 2.8034 -3.0801 0.0000 H 0 0 0
- 3.9199 -2.1032 0.0000 H 0 0 0
- 5.3040 -1.7254 0.0000 H 0 0 0
- 6.7011 0.9864 0.0000 H 0 0 0
- 9.0968 0.8470 0.0000 H 0 0 0
- 6.6187 -2.2538 0.0000 H 0 0 0
- 7.5956 -3.3703 0.0000 H 0 0 0
- 8.7121 -2.3934 0.0000 H 0 0 0
- 10.0865 -2.0028 0.0000 H 0 0 0
- 11.4981 0.7162 0.0000 H 0 0 0
- 13.9748 0.6363 0.0000 H 0 0 0
- 13.0235 0.1801 0.0000 H 0 0 0
- 11.3919 -2.5082 0.0000 H 0 0 0
- 12.3688 -3.6247 0.0000 H 0 0 0
- 13.4853 -2.6478 0.0000 H 0 0 0
- 14.2652 -1.2412 0.0000 H 0 0 0
- 15.2165 -0.7850 0.0000 H 0 0 0
- 16.5443 -0.1546 0.0000 H 0 0 0
- 15.8089 2.6446 0.0000 H 0 0 0
- 14.6561 1.7108 0.0000 H 0 0 0
- 15.5899 0.5580 0.0000 H 0 0 0
- 17.2731 2.5335 0.0000 H 0 0 0
- 16.5802 3.8454 0.0000 H 0 0 0
- 15.2683 3.1525 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 2 0
- 7 5 2 0
- 8 6 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 12 9 1 0
- 13 10 1 0
- 14 10 1 0
- 15 11 1 0
- 16 13 1 0
- 17 15 2 0
- 18 16 1 0
- 19 17 1 0
- 20 18 2 0
- 21 19 2 0
- 22 20 1 0
- 23 20 1 0
- 24 21 1 0
- 25 21 1 0
- 26 24 2 0
- 27 26 1 0
- 28 27 2 0
- 29 28 1 0
- 30 28 1 0
- 31 29 2 0
- 32 31 1 0
- 33 32 2 0
- 34 33 1 0
- 35 33 1 0
- 36 34 1 0
- 37 36 1 0
- 38 37 2 0
- 39 38 1 0
- 40 38 1 0
- 2 41 1 0
- 3 42 1 0
- 4 43 1 0
- 4 44 1 0
- 4 45 1 0
- 5 46 1 0
- 6 47 1 0
- 7 48 1 0
- 8 49 1 0
- 11 50 1 0
- 12 51 1 0
- 12 52 1 0
- 12 53 1 0
- 13 54 1 0
- 13 55 1 0
- 14 56 1 0
- 14 57 1 0
- 14 58 1 0
- 15 59 1 0
- 16 60 1 0
- 16 61 1 0
- 17 62 1 0
- 18 63 1 0
- 19 64 1 0
- 22 65 1 0
- 22 66 1 0
- 22 67 1 0
- 23 68 1 0
- 23 69 1 0
- 23 70 1 0
- 24 71 1 0
- 25 72 1 0
- 25 73 1 0
- 25 74 1 0
- 26 75 1 0
- 27 76 1 0
- 29 77 1 0
- 30 78 1 0
- 30 79 1 0
- 30 80 1 0
- 31 81 1 0
- 32 82 1 0
- 34 83 1 0
- 34 84 1 0
- 35 85 1 0
- 35 86 1 0
- 35 87 1 0
- 36 88 1 0
- 36 89 1 0
- 37 90 1 0
- 39 91 1 0
- 39 92 1 0
- 39 93 1 0
- 40 94 1 0
- 40 95 1 0
- 40 96 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-578-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4839 0.8911 -0.0026 C 0 0 0
- 0.0111 -0.4366 -0.0016 C 0 0 0
- 0.4277 1.9610 -0.0019 C 0 0 0
- -1.8029 1.1090 0.0014 N 0 0 0
- 1.4025 -0.6598 0.0005 C 0 0 0
- -0.9019 -1.5050 -0.0023 C 0 0 0
- 1.7662 1.7114 -0.0003 C 0 0 0
- -2.6578 0.1145 0.0062 C 0 0 0
- 2.2556 0.4085 0.0016 C 0 0 0
- 1.8922 -1.9261 0.0019 O 0 0 0
- -2.2372 -1.2127 -0.0038 C 0 0 0
- 0.0823 2.9362 0.0000 H 0 0 0
- -0.5724 -2.4857 0.0000 H 0 0 0
- 2.4311 2.5041 0.0000 H 0 0 0
- -3.6714 0.3216 0.0000 H 0 0 0
- 3.2774 0.2465 0.0000 H 0 0 0
- 2.2654 -2.8911 0.0000 H 0 0 0
- -2.9346 -1.9769 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20153-98-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 87 89 1 V2000
- -8.2265 0.2678 -0.6487 C 0 0 0
- -9.3678 0.6066 -1.3812 C 0 0 0
- -8.1292 0.6324 0.6968 C 0 0 0
- -7.1297 -0.4783 -1.2932 C 0 0 0
- -10.3965 1.3008 -0.7733 C 0 0 0
- -9.1612 1.3267 1.2998 C 0 0 0
- -6.0300 -0.8043 -0.5859 O 0 0 0
- -7.2177 -0.7991 -2.4618 O 0 0 0
- -10.2966 1.6633 0.5677 C 0 0 0
- -11.5073 1.6308 -1.4853 O 0 0 0
- -9.0673 1.6815 2.6094 O 0 0 0
- -4.9502 -1.5389 -1.2204 C 0 0 0
- -11.3092 2.3467 1.1628 O 0 0 0
- -11.3134 1.1291 -2.8092 C 0 0 0
- -7.8054 1.2017 3.0778 C 0 0 0
- -3.8309 -1.7785 -0.2051 C 0 0 0
- -12.2015 1.3720 1.7067 C 0 0 0
- -2.6931 -2.5526 -0.8737 C 0 0 0
- -1.6184 -2.7827 0.1011 N 0 0 0
- -0.5836 -3.5118 -0.5877 C 0 0 0
- -1.0958 -1.4583 0.4749 C 0 0 0
- 0.6705 -3.6909 0.2696 C 0 0 0
- -0.2241 -1.5994 1.7275 C 0 0 0
- 1.5117 -2.4888 0.1536 N 0 0 0
- 1.2455 -1.6654 1.3340 C 0 0 0
- 2.9064 -2.9379 0.2580 C 0 0 0
- 3.8405 -1.7314 0.1447 C 0 0 0
- 5.2932 -2.1992 0.2535 C 0 0 0
- 6.1796 -1.0542 0.1460 O 0 0 0
- 7.5143 -1.2266 0.2147 C 0 0 0
- 8.4147 -0.0637 0.1055 C 0 0 0
- 7.9760 -2.3403 0.3665 O 0 0 0
- 9.7993 -0.2411 0.1766 C 0 0 0
- 7.8853 1.2169 -0.0749 C 0 0 0
- 10.6406 0.8503 0.0740 C 0 0 0
- 8.7315 2.3051 -0.1768 C 0 0 0
- 10.1101 2.1262 -0.1000 C 0 0 0
- 11.9880 0.6785 0.1435 O 0 0 0
- 8.2170 3.5517 -0.3529 O 0 0 0
- 10.9397 3.1977 -0.2005 O 0 0 0
- 12.2172 -0.7207 0.3221 C 0 0 0
- 6.7956 3.4101 -0.3919 C 0 0 0
- 11.2403 3.3585 -1.5882 C 0 0 0
- -9.7926 -0.2931 0.0000 H 0 0 0
- -7.1977 0.9818 0.0000 H 0 0 0
- -5.7831 -2.0830 0.0000 H 0 0 0
- -4.7683 -2.5170 0.0000 H 0 0 0
- -12.2414 0.7704 0.0000 H 0 0 0
- -10.9547 0.2011 0.0000 H 0 0 0
- -10.3854 1.4878 0.0000 H 0 0 0
- -8.1590 0.2718 0.0000 H 0 0 0
- -6.8755 0.8481 0.0000 H 0 0 0
- -7.4518 2.1316 0.0000 H 0 0 0
- -2.9980 -1.2344 0.0000 H 0 0 0
- -4.0128 -0.8004 0.0000 H 0 0 0
- -12.9353 2.0438 0.0000 H 0 0 0
- -12.8733 0.6382 0.0000 H 0 0 0
- -11.4677 0.7002 0.0000 H 0 0 0
- -3.5260 -3.0967 0.0000 H 0 0 0
- -2.5112 -3.5307 0.0000 H 0 0 0
- -1.4099 -4.0659 0.0000 H 0 0 0
- -0.3622 -4.4817 0.0000 H 0 0 0
- -0.8668 -0.4901 0.0000 H 0 0 0
- -2.0451 -1.1604 0.0000 H 0 0 0
- 0.3783 -4.6419 0.0000 H 0 0 0
- 1.5645 -4.1275 0.0000 H 0 0 0
- -0.8227 -2.3941 0.0000 H 0 0 0
- 0.1998 -2.4994 0.0000 H 0 0 0
- 2.2218 -1.4741 0.0000 H 0 0 0
- 1.1716 -0.6733 0.0000 H 0 0 0
- 2.4941 -3.8433 0.0000 H 0 0 0
- 3.7582 -3.4520 0.0000 H 0 0 0
- 4.2528 -0.8260 0.0000 H 0 0 0
- 2.9887 -1.2173 0.0000 H 0 0 0
- 4.8809 -3.1046 0.0000 H 0 0 0
- 6.1450 -2.7133 0.0000 H 0 0 0
- 10.1806 -1.1600 0.0000 H 0 0 0
- 6.8994 1.3503 0.0000 H 0 0 0
- 11.2354 -0.8815 0.0000 H 0 0 0
- 12.3780 -1.7025 0.0000 H 0 0 0
- 13.1990 -0.5599 0.0000 H 0 0 0
- 6.6970 4.4001 0.0000 H 0 0 0
- 5.8056 3.3115 0.0000 H 0 0 0
- 6.8942 2.4201 0.0000 H 0 0 0
- 11.7096 2.4812 0.0000 H 0 0 0
- 12.1176 3.8278 0.0000 H 0 0 0
- 10.7710 4.2358 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 30 32 2 0
- 31 33 1 0
- 31 34 2 0
- 33 35 2 0
- 34 36 1 0
- 35 37 1 0
- 35 38 1 0
- 36 39 1 0
- 37 40 1 0
- 38 41 1 0
- 39 42 1 0
- 40 43 1 0
- 6 9 2 0
- 24 25 1 0
- 36 37 2 0
- 2 44 1 0
- 3 45 1 0
- 12 46 1 0
- 12 47 1 0
- 14 48 1 0
- 14 49 1 0
- 14 50 1 0
- 15 51 1 0
- 15 52 1 0
- 15 53 1 0
- 16 54 1 0
- 16 55 1 0
- 17 56 1 0
- 17 57 1 0
- 17 58 1 0
- 18 59 1 0
- 18 60 1 0
- 20 61 1 0
- 20 62 1 0
- 21 63 1 0
- 21 64 1 0
- 22 65 1 0
- 22 66 1 0
- 23 67 1 0
- 23 68 1 0
- 25 69 1 0
- 25 70 1 0
- 26 71 1 0
- 26 72 1 0
- 27 73 1 0
- 27 74 1 0
- 28 75 1 0
- 28 76 1 0
- 33 77 1 0
- 34 78 1 0
- 41 79 1 0
- 41 80 1 0
- 41 81 1 0
- 42 82 1 0
- 42 83 1 0
- 42 84 1 0
- 43 85 1 0
- 43 86 1 0
- 43 87 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28124-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.4018 0.3861 -0.0030 C 0 0 0
- -1.1395 -1.0574 -0.0015 C 0 0 0
- -0.3941 1.2495 -0.0029 N 0 0 0
- -2.7486 0.8321 0.0014 C 0 0 0
- 0.1115 -1.5100 -0.0001 N 0 0 0
- -2.2343 -1.9457 -0.0012 C 0 0 0
- 0.8555 0.8003 -0.0015 C 0 0 0
- -3.7590 -0.0863 0.0069 C 0 0 0
- -3.0372 2.1934 0.0006 N 0 0 0
- 1.1211 -0.6441 -0.0001 C 0 0 0
- -3.5017 -1.4547 -0.0022 C 0 0 0
- 1.9500 1.6937 -0.0009 C 0 0 0
- 2.4576 -1.0879 0.0010 C 0 0 0
- 3.2144 1.2061 0.0010 C 0 0 0
- 3.4709 -0.1736 0.0006 C 0 0 0
- 4.7903 -0.6202 0.0021 N 0 0 0
- -2.0721 -2.9770 0.0000 H 0 0 0
- -4.7488 0.2457 0.0000 H 0 0 0
- -2.2610 2.8915 0.0000 H 0 0 0
- -4.0299 2.5165 0.0000 H 0 0 0
- -4.3045 -2.1221 0.0000 H 0 0 0
- 1.7855 2.7246 0.0000 H 0 0 0
- 2.6719 -2.1096 0.0000 H 0 0 0
- 4.0174 1.8733 0.0000 H 0 0 0
- 4.9949 -1.6439 0.0000 H 0 0 0
- 5.5746 0.0688 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 12 14 2 0
- 13 15 2 0
- 15 16 1 0
- 7 10 1 0
- 8 11 1 0
- 14 15 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83905-01-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-124126 1 V2000
- 0.2188 1.4917 1.0080 C 0 0 1
- -0.5567 0.2550 0.4697 C 0 0 2
- 0.7352 2.1375 -0.2006 O 0 0 0
- -0.8737 2.4980 1.4999 C 0 0 2
- 0.1198 -1.0184 1.0113 C 0 0 2
- -0.3995 0.2456 -1.0565 C 0 0 0
- 2.1560 2.1993 -0.0608 C 0 0 1
- -2.1920 2.1335 0.8659 C 0 0 0
- -0.4410 3.9132 1.1358 C 0 0 0
- -0.9602 2.3715 2.9207 O 0 0 0
- 0.6574 -1.7352 -0.1175 O 0 0 0
- -0.9555 -1.9328 1.6450 C 0 0 2
- 2.7521 2.9659 -1.2437 C 0 0 1
- 2.4854 2.8609 1.1591 O 0 0 0
- -2.9238 3.2743 0.1478 C 0 0 2
- 1.7550 -2.5097 0.3697 C 0 0 1
- -1.8466 -2.4857 0.5334 C 0 0 0
- -1.8694 -1.0284 2.5043 C 0 0 0
- 4.2782 2.9944 -1.1023 C 0 0 2
- 2.3989 2.3098 -2.4631 O 0 0 0
- 3.8939 2.7402 1.3488 C 0 0 1
- -4.4362 2.9476 0.2761 C 0 0 0
- -2.6004 3.1389 -1.3620 C 0 0 0
- 2.2907 -3.4001 -0.7517 C 0 0 0
- 2.7936 -1.6414 0.8115 O 0 0 0
- -3.0884 -2.0242 0.4309 O 0 0 0
- -1.4131 -3.3410 -0.1937 O 0 0 0
- 4.6322 3.5511 0.2813 C 0 0 0
- 4.8499 3.8625 -2.1403 N 0 0 0
- 4.2682 3.2641 2.7367 C 0 0 0
- -4.8918 2.2840 -0.9928 N 0 0 0
- 3.3940 -4.3035 -0.1977 C 0 0 2
- 3.7868 -2.4053 1.4562 C 0 0 2
- -4.0880 -2.5104 -0.5423 C 0 0 1
- 4.4271 5.2334 -1.8241 C 0 0 0
- 6.3083 3.8206 -1.9695 C 0 0 0
- -5.6238 1.0586 -0.4318 C 0 0 1
- -6.0957 3.1223 -1.3378 C 0 0 0
- 4.3950 -3.4986 0.6172 C 0 0 2
- 4.0790 -4.9164 -1.3039 O 0 0 0
- 2.7712 -5.4141 0.6536 C 0 0 0
- 3.3392 -2.8881 2.8270 C 0 0 0
- -5.2551 -1.4623 -0.4301 C 0 0 1
- -3.4811 -2.1881 -1.9461 C 0 0 0
- -4.6743 -0.1060 -0.8648 C 0 0 2
- -5.4366 1.2450 1.0991 C 0 0 0
- 5.4168 -2.9770 -0.2346 O 0 0 0
- 3.1044 -5.6721 -2.0257 C 0 0 0
- -6.3514 -1.8891 -1.4034 C 0 0 0
- -5.7287 -1.4773 0.9022 O 0 0 0
- -2.8857 -3.4621 -2.5490 C 0 0 0
- -3.5143 0.1103 -0.0090 O 0 0 0
- 0.9845 0.9482 0.0000 H 0 0 0
- -1.4951 0.2887 0.0000 H 0 0 0
- 0.9124 -0.5149 0.0000 H 0 0 0
- -0.4556 -0.6918 0.0000 H 0 0 0
- 0.5379 0.1895 0.0000 H 0 0 0
- -0.3434 1.1830 0.0000 H 0 0 0
- 2.5868 1.3649 0.0000 H 0 0 0
- -3.0291 1.7081 0.0000 H 0 0 0
- -1.8525 1.2580 0.0000 H 0 0 0
- 0.4570 3.6386 0.0000 H 0 0 0
- -0.1664 4.8112 0.0000 H 0 0 0
- -1.3390 4.1878 0.0000 H 0 0 0
- -1.4902 1.5964 0.0000 H 0 0 0
- -0.4023 -2.6915 0.0000 H 0 0 0
- 2.3316 3.8055 0.0000 H 0 0 0
- -2.8376 4.2094 0.0000 H 0 0 0
- 1.0673 -3.1491 0.0000 H 0 0 0
- -1.2089 -0.3609 0.0000 H 0 0 0
- -2.5369 -0.3679 0.0000 H 0 0 0
- -2.5299 -1.6959 0.0000 H 0 0 0
- 4.7313 2.1719 0.0000 H 0 0 0
- 1.9538 1.4830 0.0000 H 0 0 0
- 4.2364 1.8659 0.0000 H 0 0 0
- -4.3811 3.8850 0.0000 H 0 0 0
- -5.3245 3.2520 0.0000 H 0 0 0
- -2.9630 2.2727 0.0000 H 0 0 0
- -1.7342 2.7763 0.0000 H 0 0 0
- -2.2378 4.0051 0.0000 H 0 0 0
- 1.3599 -3.5240 0.0000 H 0 0 0
- 2.0340 -4.3034 0.0000 H 0 0 0
- 5.5665 3.4572 0.0000 H 0 0 0
- 4.2961 4.4279 0.0000 H 0 0 0
- 5.0323 2.7182 0.0000 H 0 0 0
- 4.8141 4.0282 0.0000 H 0 0 0
- 3.5041 3.8100 0.0000 H 0 0 0
- 4.4981 -1.7922 0.0000 H 0 0 0
- -4.2186 -3.4403 0.0000 H 0 0 0
- 5.3244 5.5101 0.0000 H 0 0 0
- 4.1504 6.1307 0.0000 H 0 0 0
- 3.5298 4.9567 0.0000 H 0 0 0
- 6.2813 2.8820 0.0000 H 0 0 0
- 7.2469 3.7936 0.0000 H 0 0 0
- 6.3353 4.7592 0.0000 H 0 0 0
- -6.5603 0.9903 0.0000 H 0 0 0
- -5.5591 3.8929 0.0000 H 0 0 0
- -6.8663 3.6589 0.0000 H 0 0 0
- -6.6323 2.3517 0.0000 H 0 0 0
- 4.9054 -4.2868 0.0000 H 0 0 0
- 1.9522 -4.9548 0.0000 H 0 0 0
- 2.3119 -6.2331 0.0000 H 0 0 0
- 3.5902 -5.8734 0.0000 H 0 0 0
- 2.6506 -2.2497 0.0000 H 0 0 0
- 2.7008 -3.5767 0.0000 H 0 0 0
- 4.0278 -3.5265 0.0000 H 0 0 0
- -2.6373 -1.7761 0.0000 H 0 0 0
- -3.9074 -1.3514 0.0000 H 0 0 0
- -4.0873 -0.8389 0.0000 H 0 0 0
- -4.7740 0.5796 0.0000 H 0 0 0
- -4.7712 1.9076 0.0000 H 0 0 0
- -6.0992 1.9104 0.0000 H 0 0 0
- 6.2532 -2.5501 0.0000 H 0 0 0
- 2.5290 -4.9300 0.0000 H 0 0 0
- 2.3623 -6.2475 0.0000 H 0 0 0
- 3.6798 -6.4142 0.0000 H 0 0 0
- -6.6921 -1.0140 0.0000 H 0 0 0
- -7.2265 -2.2298 0.0000 H 0 0 0
- -6.0107 -2.7642 0.0000 H 0 0 0
- -6.6673 -1.5070 0.0000 H 0 0 0
- -3.7364 -3.8597 0.0000 H 0 0 0
- -2.4881 -4.3128 0.0000 H 0 0 0
- -2.0350 -3.0645 0.0000 H 0 0 0
- -2.5912 0.2824 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 16 11 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 1 0
- 15 22 1 0
- 15 23 1 0
- 16 24 1 0
- 16 25 1 0
- 17 26 1 0
- 17 27 2 0
- 19 28 1 0
- 19 29 1 0
- 21 30 1 0
- 22 31 1 0
- 24 32 1 0
- 25 33 1 0
- 26 34 1 0
- 29 35 1 0
- 29 36 1 0
- 31 37 1 0
- 31 38 1 0
- 32 39 1 0
- 32 40 1 0
- 32 41 1 0
- 33 42 1 0
- 34 43 1 0
- 34 44 1 0
- 37 45 1 0
- 37 46 1 0
- 39 47 1 0
- 40 48 1 0
- 43 49 1 0
- 43 50 1 0
- 44 51 1 0
- 45 52 1 0
- 21 28 1 0
- 33 39 1 0
- 43 45 1 0
- 1 53 1 0
- 2 54 1 0
- 5 55 1 0
- 6 56 1 0
- 6 57 1 0
- 6 58 1 0
- 7 59 1 0
- 8 60 1 0
- 8 61 1 0
- 9 62 1 0
- 9 63 1 0
- 9 64 1 0
- 10 65 1 0
- 12 66 1 0
- 13 67 1 0
- 15 68 1 0
- 16 69 1 0
- 18 70 1 0
- 18 71 1 0
- 18 72 1 0
- 19 73 1 0
- 20 74 1 0
- 21 75 1 0
- 22 76 1 0
- 22 77 1 0
- 23 78 1 0
- 23 79 1 0
- 23 80 1 0
- 24 81 1 0
- 24 82 1 0
- 28 83 1 0
- 28 84 1 0
- 30 85 1 0
- 30 86 1 0
- 30 87 1 0
- 33 88 1 0
- 34 89 1 0
- 35 90 1 0
- 35 91 1 0
- 35 92 1 0
- 36 93 1 0
- 36 94 1 0
- 36 95 1 0
- 37 96 1 0
- 38 97 1 0
- 38 98 1 0
- 38 99 1 0
- 39100 1 0
- 41101 1 0
- 41102 1 0
- 41103 1 0
- 42104 1 0
- 42105 1 0
- 42106 1 0
- 44107 1 0
- 44108 1 0
- 45109 1 0
- 46110 1 0
- 46111 1 0
- 46112 1 0
- 47113 1 0
- 48114 1 0
- 48115 1 0
- 48116 1 0
- 49117 1 0
- 49118 1 0
- 49119 1 0
- 50120 1 0
- 51121 1 0
- 51122 1 0
- 51123 1 0
- 52124 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-43-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.6085 0.0985 0.0667 C 0 0 0
- -2.8906 0.7554 0.0190 C 0 0 0
- -0.3531 0.8655 0.1082 C 0 0 0
- -1.6105 -1.2810 0.0775 C 0 0 0
- -3.9826 -0.0333 -0.0162 C 0 0 0
- 0.8295 0.2206 0.1523 N 0 0 0
- -0.3829 2.0816 0.1027 O 0 0 0
- -3.2956 -1.6760 0.0248 S 0 0 0
- -5.4066 0.3680 -0.0671 N 0 3 0
- 2.0241 0.9431 0.0618 C 0 0 0
- -6.2783 -0.4823 -0.0944 O 0 0 0
- -5.7066 1.5484 -0.0817 O 0 5 0
- 3.2385 0.2729 -0.0250 C 0 0 0
- 1.9987 2.3312 0.0529 C 0 0 0
- 4.4162 0.9897 -0.1142 C 0 0 0
- 3.2789 -1.6177 -0.0218 Br 0 0 0
- 3.1800 3.0418 -0.0366 C 0 0 0
- 4.3871 2.3725 -0.1171 C 0 0 0
- -2.9694 1.7897 0.0000 H 0 0 0
- -0.7981 -1.9260 0.0000 H 0 0 0
- 0.8527 -0.8165 0.0000 H 0 0 0
- 1.0911 2.8335 0.0000 H 0 0 0
- 5.3258 0.4910 0.0000 H 0 0 0
- 3.1617 4.0790 0.0000 H 0 0 0
- 5.2753 2.9083 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 5 8 1 0
- 17 18 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 14 22 1 0
- 15 23 1 0
- 17 24 1 0
- 18 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2855-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 37 1 V2000
- -4.9741 0.3536 -0.4055 C 0 0 0
- -6.2286 -0.4955 -0.1907 C 0 0 0
- -5.7751 0.4567 0.7734 O 0 0 0
- -3.7316 -0.4874 -0.1058 C 0 0 0
- -2.4771 0.3617 -0.3206 C 0 0 0
- -1.2346 -0.4793 -0.0209 C 0 0 0
- 0.0199 0.3698 -0.2357 C 0 0 0
- 1.2624 -0.4712 0.0640 C 0 0 0
- 2.5169 0.3779 -0.1508 C 0 0 0
- 3.7594 -0.4631 0.1488 C 0 0 0
- 5.0139 0.3860 -0.0659 C 0 0 0
- 6.2564 -0.4550 0.2337 C 0 0 0
- 7.5109 0.3941 0.0190 C 0 0 0
- -4.5761 1.4061 0.0000 H 0 0 0
- -7.3485 -0.3854 0.0000 H 0 0 0
- -5.9518 -1.5862 0.0000 H 0 0 0
- -4.4752 -1.3319 0.0000 H 0 0 0
- -2.9880 -1.3320 0.0000 H 0 0 0
- -1.7335 1.2062 0.0000 H 0 0 0
- -3.2207 1.2063 0.0000 H 0 0 0
- -1.9782 -1.3238 0.0000 H 0 0 0
- -0.4910 -1.3239 0.0000 H 0 0 0
- 0.7635 1.2143 0.0000 H 0 0 0
- -0.7237 1.2144 0.0000 H 0 0 0
- 0.5188 -1.3157 0.0000 H 0 0 0
- 2.0060 -1.3158 0.0000 H 0 0 0
- 3.2605 1.2224 0.0000 H 0 0 0
- 1.7733 1.2225 0.0000 H 0 0 0
- 3.0158 -1.3076 0.0000 H 0 0 0
- 4.5030 -1.3077 0.0000 H 0 0 0
- 5.7575 1.2305 0.0000 H 0 0 0
- 4.2703 1.2306 0.0000 H 0 0 0
- 5.5128 -1.2995 0.0000 H 0 0 0
- 7.0000 -1.2996 0.0000 H 0 0 0
- 8.1416 -0.5378 0.0000 H 0 0 0
- 8.4428 1.0248 0.0000 H 0 0 0
- 6.8802 1.3260 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 2 3 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 13 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115-86-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 0.0307 -1.1407 0.1899 P 0 0 0
- -1.2725 -2.0800 0.2966 O 0 0 0
- 0.0113 -0.0586 1.3819 O 0 0 0
- 1.3564 -2.0466 0.3091 O 0 0 0
- 0.0280 -0.4393 -1.1133 O 0 0 0
- -2.3464 -1.2949 0.0188 C 0 0 0
- -0.0389 1.1677 0.7983 C 0 0 0
- 2.4130 -1.2326 0.0487 C 0 0 0
- -2.6390 -0.9572 -1.2944 C 0 0 0
- -3.1553 -0.8343 1.0478 C 0 0 0
- -1.2559 1.8158 0.6467 C 0 0 0
- 1.1280 1.7761 0.3582 C 0 0 0
- 3.1394 -0.6812 1.0939 C 0 0 0
- 2.7706 -0.9562 -1.2632 C 0 0 0
- -3.7314 -0.1588 -1.5742 C 0 0 0
- -4.2461 -0.0364 0.7628 C 0 0 0
- -1.3042 3.0624 0.0530 C 0 0 0
- 1.0744 3.0225 -0.2346 C 0 0 0
- 4.2132 0.1460 0.8266 C 0 0 0
- 3.8449 -0.1285 -1.5251 C 0 0 0
- -4.5324 0.3035 -0.5467 C 0 0 0
- -0.1409 3.6640 -0.3898 C 0 0 0
- 4.5639 0.4244 -0.4813 C 0 0 0
- -2.0053 -0.2688 0.0000 H 0 0 0
- -3.6638 -1.6197 0.0000 H 0 0 0
- -2.0486 1.3187 0.0000 H 0 0 0
- 1.9383 1.3083 0.0000 H 0 0 0
- 3.7078 -1.4245 0.0000 H 0 0 0
- 2.1990 -0.2155 0.0000 H 0 0 0
- -3.2208 0.6252 0.0000 H 0 0 0
- -4.8847 -0.7203 0.0000 H 0 0 0
- -2.1127 3.5333 0.0000 H 0 0 0
- 1.8651 3.5227 0.0000 H 0 0 0
- 4.7896 -0.5910 0.0000 H 0 0 0
- 3.2742 0.6130 0.0000 H 0 0 0
- -5.2498 0.9042 0.0000 H 0 0 0
- -0.1370 4.5997 0.0000 H 0 0 0
- 5.3012 1.0005 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 17 22 2 0
- 19 23 2 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-90-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0577 -1.0786 -0.0023 C 0 0 0
- -1.2913 -0.7543 -0.0015 C 0 0 0
- 1.0095 -0.0741 -0.0015 C 0 0 0
- 0.5511 -2.7430 0.0030 Cl 0 0 0
- -1.6830 0.5773 0.0000 C 0 0 0
- -2.2283 -1.7396 -0.0028 O 0 0 0
- 0.6159 1.2532 0.0001 C 0 0 0
- 2.6977 -0.4785 -0.0018 Cl 0 0 0
- -0.7291 1.5779 0.0009 C 0 0 0
- -3.3702 0.9861 0.0004 Cl 0 0 0
- 1.8115 2.5119 0.0011 Cl 0 0 0
- -2.9454 -2.4936 0.0000 H 0 0 0
- -1.0229 2.5761 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 9 1 0
- 6 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-68299-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.5739 -0.8925 0.0221 N 0 0 0
- -2.5039 0.0696 0.1832 C 0 0 0
- -1.9719 -2.2410 -0.1458 O 0 0 0
- -0.2148 -0.5579 0.0150 C 0 0 0
- -2.8713 0.9637 -0.9730 C 0 0 0
- -3.0452 0.2158 1.2587 O 0 0 0
- 0.5388 -0.7342 -1.1378 C 0 0 0
- 0.3810 -0.0436 1.1593 C 0 0 0
- -3.8713 1.8953 -0.5557 O 0 0 0
- 1.8799 -0.4032 -1.1421 C 0 0 0
- 1.7221 0.2857 1.1496 C 0 0 0
- 2.4723 0.1036 0.0009 C 0 0 0
- 4.1580 0.5185 -0.0079 Cl 0 0 0
- -2.2560 -3.2035 0.0000 H 0 0 0
- -1.8678 0.9737 0.0000 H 0 0 0
- -2.5084 1.8994 0.0000 H 0 0 0
- 0.5449 -1.7378 0.0000 H 0 0 0
- -0.0793 0.8482 0.0000 H 0 0 0
- -4.6056 2.5794 0.0000 H 0 0 0
- 2.3387 -1.2958 0.0000 H 0 0 0
- 1.7208 1.2893 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 2 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 7 1 0
- 11 8 2 0
- 12 10 2 0
- 13 12 1 0
- 11 12 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-581-47-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.6939 -0.0113 -0.0061 C 0 0 0
- -0.7899 -0.0146 -0.0072 C 0 0 0
- 1.4095 1.1129 -0.4264 C 0 0 0
- 1.4140 -1.1306 0.4209 C 0 0 0
- -1.4778 -1.1587 -0.4051 C 0 0 0
- -1.4502 1.0701 0.3758 N 0 0 0
- 2.7892 1.0736 -0.4089 C 0 0 0
- 2.7931 -1.0850 0.4063 C 0 0 0
- -2.8621 -1.1470 -0.4005 C 0 0 0
- -2.7669 1.1082 0.3898 C 0 0 0
- 3.4305 -0.0051 -0.0031 N 0 0 0
- -3.5131 0.0102 0.0024 C 0 0 0
- 0.9417 1.9947 0.0000 H 0 0 0
- 0.9504 -2.0146 0.0000 H 0 0 0
- -0.9901 -2.0296 0.0000 H 0 0 0
- 3.2951 1.9341 0.0000 H 0 0 0
- 3.3023 -1.9436 0.0000 H 0 0 0
- -3.3697 -2.0065 0.0000 H 0 0 0
- -3.2212 1.9970 0.0000 H 0 0 0
- -4.5104 0.0523 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 8 11 1 0
- 10 12 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.7007 0.2352 0.5927 C 0 0 0
- 0.0894 -1.0247 0.3156 C 0 0 0
- -0.1054 1.3763 -0.2388 C 0 0 0
- -2.1613 0.0197 0.1912 C 0 0 0
- 1.5960 -0.9679 0.4388 C 0 0 0
- -0.4682 -2.0494 0.0037 O 0 0 0
- 1.3909 1.4931 0.0563 C 0 0 0
- -2.9677 1.2816 0.5045 C 0 0 0
- -2.2397 -0.2765 -1.3078 C 0 0 0
- 2.1080 0.2168 -0.3871 C 0 0 0
- 3.6141 0.3766 -0.1704 C 0 0 0
- -1.3425 1.1376 0.0000 H 0 0 0
- 0.0143 2.4771 0.0000 H 0 0 0
- -1.1650 1.6978 0.0000 H 0 0 0
- -3.2553 -0.1512 0.0000 H 0 0 0
- 1.4735 -2.0684 0.0000 H 0 0 0
- 2.6663 -1.2519 0.0000 H 0 0 0
- 2.4244 1.8907 0.0000 H 0 0 0
- 1.1465 2.5731 0.0000 H 0 0 0
- -2.0346 1.8779 0.0000 H 0 0 0
- -3.5640 2.2147 0.0000 H 0 0 0
- -3.9008 0.6853 0.0000 H 0 0 0
- -3.3101 0.0068 0.0000 H 0 0 0
- -2.5230 -1.3469 0.0000 H 0 0 0
- -1.1693 -0.5598 0.0000 H 0 0 0
- 1.0022 0.1593 0.0000 H 0 0 0
- 3.7309 -0.7245 0.0000 H 0 0 0
- 4.7152 0.4934 0.0000 H 0 0 0
- 3.4973 1.4777 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 10 11 1 0
- 7 10 1 0
- 1 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1635-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- 1.6635 0.8545 -1.2648 N 0 0 0
- 2.1023 2.2483 -1.4153 C 0 0 0
- 1.4912 0.5773 0.3862 P 0 0 0
- 2.8731 1.0154 1.2411 N 0 0 0
- 0.2116 1.2403 0.9612 N 0 0 0
- 1.0244 -0.9596 0.7102 N 0 0 0
- 3.6305 -0.2202 1.4811 C 0 0 0
- -1.2466 0.9709 0.2641 P 0 0 0
- -0.1960 -1.5799 -0.0201 P 0 0 0
- -2.4788 1.8398 1.0118 N 0 0 0
- -1.2150 1.2350 -1.3978 N 0 0 0
- -1.2958 -0.5389 0.6186 N 0 0 0
- -0.0790 -1.4311 -1.6924 N 0 0 0
- -0.4746 -3.1724 0.4478 N 0 0 0
- -3.6760 0.9892 0.9776 C 0 0 0
- -1.5842 2.6411 -1.6088 C 0 0 0
- 1.0530 -2.2678 -2.1124 C 0 0 0
- -1.9185 -3.4060 0.3113 C 0 0 0
- 2.6569 0.3982 0.0000 H 0 0 0
- 3.1450 1.9200 0.0000 H 0 0 0
- 2.4306 3.2910 0.0000 H 0 0 0
- 1.0596 2.5766 0.0000 H 0 0 0
- 3.2550 2.0396 0.0000 H 0 0 0
- 2.6985 -0.7915 0.0000 H 0 0 0
- 4.2018 -1.1522 0.0000 H 0 0 0
- 4.5625 0.3511 0.0000 H 0 0 0
- -2.4807 2.9329 0.0000 H 0 0 0
- -0.1245 1.3102 0.0000 H 0 0 0
- -0.2250 -0.3478 0.0000 H 0 0 0
- 0.2934 -3.9503 0.0000 H 0 0 0
- -4.3091 1.8803 0.0000 H 0 0 0
- -4.5671 0.3561 0.0000 H 0 0 0
- -3.0429 0.0981 0.0000 H 0 0 0
- -0.5269 2.9187 0.0000 H 0 0 0
- -1.8618 3.6984 0.0000 H 0 0 0
- -2.6415 2.3635 0.0000 H 0 0 0
- 0.4033 -3.1469 0.0000 H 0 0 0
- 1.9321 -2.9175 0.0000 H 0 0 0
- 1.7027 -1.3887 0.0000 H 0 0 0
- -2.0931 -2.3269 0.0000 H 0 0 0
- -2.9976 -3.5806 0.0000 H 0 0 0
- -1.7439 -4.4851 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 1 0
- 11 8 1 0
- 12 8 2 0
- 13 9 1 0
- 14 9 1 0
- 15 10 1 0
- 16 11 1 0
- 17 13 1 0
- 18 14 1 0
- 9 12 1 0
- 1 19 1 0
- 2 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 7 24 1 0
- 7 25 1 0
- 7 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62-50-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.6476 -0.5483 -0.3806 O 0 0 0
- -0.7001 0.0161 0.0457 S 0 0 0
- 1.6485 0.3001 0.1858 C 0 0 0
- -1.1016 1.1787 -1.2875 C 0 0 0
- -1.5439 -1.1268 0.0157 O 0 0 0
- -0.3894 0.6938 1.2555 O 0 0 0
- 3.0348 -0.2145 -0.2068 C 0 0 0
- 2.1632 1.1863 0.0000 H 0 0 0
- 0.8627 0.9579 0.0000 H 0 0 0
- -0.1330 1.5132 0.0000 H 0 0 0
- -1.4361 2.1473 0.0000 H 0 0 0
- -2.0702 0.8442 0.0000 H 0 0 0
- 2.6782 -1.1752 0.0000 H 0 0 0
- 3.9955 -0.5711 0.0000 H 0 0 0
- 3.3914 0.7462 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59-89-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5548 -0.2864 0.2093 N 0 0 0
- 0.4280 -1.3774 0.3265 C 0 0 0
- -0.0812 1.0844 0.4669 C 0 0 0
- -1.7817 -0.5218 -0.1119 N 0 0 0
- 1.6938 -0.9634 -0.4318 C 0 0 0
- 1.2278 1.2901 -0.3033 C 0 0 0
- -2.5749 0.3981 -0.2022 O 0 0 0
- 2.1674 0.2843 0.0732 O 0 0 0
- -0.4005 -1.9372 0.0000 H 0 0 0
- 0.8675 -2.2755 0.0000 H 0 0 0
- -0.0742 2.0843 0.0000 H 0 0 0
- -1.0667 1.2534 0.0000 H 0 0 0
- 1.7835 -1.9592 0.0000 H 0 0 0
- 2.6844 -1.0994 0.0000 H 0 0 0
- 2.0787 1.8152 0.0000 H 0 0 0
- 0.8808 2.2279 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3333-52-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.4957 0.5827 0.0000 C 0 0 0
- -0.4957 -0.5827 0.0000 C 0 0 0
- 1.8707 0.0571 0.0000 C 0 0 0
- 0.2769 1.4385 -1.2492 C 0 0 0
- 0.2769 1.4384 1.2493 C 0 0 0
- -1.8707 -0.0571 0.0000 C 0 0 0
- -0.2769 -1.4384 -1.2493 C 0 0 0
- -0.2769 -1.4385 1.2492 C 0 0 0
- 2.9318 -0.3485 0.0000 N 0 0 0
- -2.9318 0.3485 0.0000 N 0 0 0
- 1.1023 1.6495 0.0000 H 0 0 0
- 0.0659 2.2639 0.0000 H 0 0 0
- -0.5485 1.2275 0.0000 H 0 0 0
- 1.1023 1.6495 0.0000 H 0 0 0
- 0.0658 2.2638 0.0000 H 0 0 0
- -0.5485 1.2273 0.0000 H 0 0 0
- -1.1023 -1.6495 0.0000 H 0 0 0
- -0.0658 -2.2638 0.0000 H 0 0 0
- 0.5485 -1.2273 0.0000 H 0 0 0
- -1.1023 -1.6495 0.0000 H 0 0 0
- -0.0659 -2.2639 0.0000 H 0 0 0
- 0.5485 -1.2275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 3 0
- 6 10 3 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159394-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.3367 -0.3746 0.0071 C 0 0 0
- 2.1800 -1.4895 0.0064 C 0 0 0
- 1.8877 0.9096 0.0039 C 0 0 0
- -0.1259 -0.5527 0.0049 C 0 0 0
- 3.5478 -1.3150 0.0027 C 0 0 0
- 3.2579 1.0684 0.0003 C 0 0 0
- -0.9335 0.5214 0.0055 C 0 0 0
- 4.0862 -0.0399 -0.0003 C 0 0 0
- -2.3947 0.3436 0.0033 C 0 0 0
- 5.5557 0.1390 -0.0038 N 0 3 0
- -3.2357 1.4617 0.0039 C 0 0 0
- -2.9430 -0.9440 -0.0052 C 0 0 0
- 6.0328 1.2596 -0.0065 O 0 0 0
- 6.2877 -0.8345 -0.0040 O 0 5 0
- -4.5915 1.2962 0.0020 C 0 0 0
- -4.2985 -1.1086 -0.0072 C 0 0 0
- -5.1390 0.0095 -0.0007 C 0 0 0
- -6.5605 -0.1635 -0.0028 C 0 0 0
- -7.6882 -0.3008 -0.0045 N 0 0 0
- 1.7756 -2.4510 0.0000 H 0 0 0
- 1.2644 1.7460 0.0000 H 0 0 0
- -0.5345 -1.5124 0.0000 H 0 0 0
- 4.1783 -2.1460 0.0000 H 0 0 0
- 3.6706 2.0263 0.0000 H 0 0 0
- -0.5249 1.4811 0.0000 H 0 0 0
- -2.8274 2.4215 0.0000 H 0 0 0
- -2.3163 -1.7778 0.0000 H 0 0 0
- -5.2186 2.1297 0.0000 H 0 0 0
- -4.7073 -2.0682 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 3 0
- 6 8 2 0
- 16 17 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1982-67-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 2.2841 -0.1110 0.0156 S 0 0 0
- 0.7472 0.5986 -0.6362 C 0 0 0
- 3.6327 0.8222 -0.7595 C 0 0 0
- 2.3216 0.2093 1.4739 N 0 0 0
- 2.3895 -1.5247 -0.0824 O 0 0 0
- -0.4507 -0.1353 -0.0300 C 0 0 0
- -1.7470 0.4633 -0.5797 C 0 0 0
- -2.9268 -0.2596 0.0174 C 0 0 0
- -1.8163 1.8878 -0.2279 N 0 0 0
- -3.4309 -1.3423 -0.5954 O 0 0 0
- -3.4190 0.1354 1.0477 O 0 0 0
- 1.3697 1.4546 0.0000 H 0 0 0
- 0.0289 1.3760 0.0000 H 0 0 0
- 4.2350 -0.0482 0.0000 H 0 0 0
- 4.5031 1.4245 0.0000 H 0 0 0
- 3.0304 1.6926 0.0000 H 0 0 0
- 2.4447 1.2605 0.0000 H 0 0 0
- -1.0732 -0.9913 0.0000 H 0 0 0
- 0.2675 -0.9127 0.0000 H 0 0 0
- -1.6851 -0.5933 0.0000 H 0 0 0
- -0.9265 2.4609 0.0000 H 0 0 0
- -2.7576 2.3718 0.0000 H 0 0 0
- -3.8776 -2.3018 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18829-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.7769 -0.8377 -0.1657 C 0 0 0
- -0.5317 -0.4819 0.4915 C 0 0 0
- 1.8567 0.1504 0.2801 C 0 0 0
- -1.5923 -0.1730 -0.2574 C 0 0 0
- 3.1853 -0.2109 -0.3871 C 0 0 0
- -2.8624 0.1723 0.3804 C 0 0 0
- 4.2651 0.7772 0.0586 C 0 0 0
- -3.8265 0.4531 -0.3005 O 0 0 0
- 0.3313 -1.7519 0.0000 H 0 0 0
- 1.5917 -1.4464 0.0000 H 0 0 0
- -0.8073 -1.4609 0.0000 H 0 0 0
- 2.3024 1.0646 0.0000 H 0 0 0
- 1.0419 0.7591 0.0000 H 0 0 0
- -1.3167 0.8060 0.0000 H 0 0 0
- 2.7396 -1.1251 0.0000 H 0 0 0
- 4.0001 -0.8196 0.0000 H 0 0 0
- -3.1380 -0.8067 0.0000 H 0 0 0
- 4.9517 0.0269 0.0000 H 0 0 0
- 5.0154 1.4638 0.0000 H 0 0 0
- 3.5785 1.5275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 2 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-820-75-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.1123 -0.2863 0.0000 N 0 0 0
- -0.9839 0.6857 0.0000 C 0 0 0
- 1.3909 0.1399 0.0000 C 0 0 0
- -2.3024 -0.0441 0.0000 C 0 0 0
- 2.4397 -0.7902 0.0000 C 0 0 0
- 1.6352 1.3338 0.0000 O 0 0 0
- -3.4572 0.6508 0.0000 N 0 0 0
- -2.3243 -1.2567 0.0000 O 0 0 0
- 3.6256 -0.3949 0.0000 N 0 3 0
- -4.6523 -0.0107 0.0000 N 0 0 0
- 4.6919 -0.0395 0.0000 N 0 5 0
- -0.0903 -1.2766 0.0000 H 0 0 0
- -0.2321 1.3614 0.0000 H 0 0 0
- -1.5702 1.5091 0.0000 H 0 0 0
- 2.2370 -1.7805 0.0000 H 0 0 0
- -3.4389 1.6615 0.0000 H 0 0 0
- -5.5184 0.5104 0.0000 H 0 0 0
- -4.6706 -1.0214 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 2 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 5 15 1 0
- 7 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41044-12-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- 2.7907 -0.5912 2.3047 C 0 0 0
- 3.1953 -0.1747 0.9597 N 0 0 0
- 2.3654 0.0421 -0.1085 C 0 0 0
- 4.4852 0.0788 0.5328 C 0 0 0
- 3.0728 0.4052 -1.1526 N 0 0 0
- 0.8986 -0.1096 -0.0881 C 0 0 0
- 4.3863 0.4461 -0.8210 C 0 0 0
- 5.7286 0.0366 1.1475 C 0 0 0
- 0.0614 0.9943 -0.1523 C 0 0 0
- 0.2703 -1.4395 -0.0051 C 0 0 0
- 5.5471 0.7657 -1.5329 C 0 0 0
- 6.8596 0.3555 0.4253 C 0 0 0
- -1.3381 0.7848 -0.0943 C 0 0 0
- 0.8554 -2.4397 -0.3772 O 0 0 0
- -0.9850 -1.5056 0.5024 O 0 0 0
- 6.7622 0.7188 -0.9104 C 0 0 0
- -1.8432 -0.4949 0.2110 C 0 0 0
- -2.2276 1.8417 -0.3459 C 0 0 0
- -3.2104 -0.7080 0.2241 C 0 0 0
- -3.5715 1.6181 -0.3229 C 0 0 0
- -4.0741 0.3455 -0.0440 C 0 0 0
- -5.4481 0.1318 -0.0352 N 0 0 0
- -6.1633 -0.0880 -1.2947 C 0 0 0
- -6.1805 0.1266 1.2336 C 0 0 0
- -5.7744 -1.4510 -1.8708 C 0 0 0
- -6.5563 1.5608 1.6114 C 0 0 0
- 2.0835 0.0958 0.0000 H 0 0 0
- 2.1037 -1.2984 0.0000 H 0 0 0
- 3.4979 -1.2782 0.0000 H 0 0 0
- 5.8471 -0.9422 0.0000 H 0 0 0
- 0.4332 1.9074 0.0000 H 0 0 0
- 5.4339 1.7451 0.0000 H 0 0 0
- 7.7167 -0.1318 0.0000 H 0 0 0
- 7.3773 1.4893 0.0000 H 0 0 0
- -1.8866 2.7668 0.0000 H 0 0 0
- -3.5621 -1.6291 0.0000 H 0 0 0
- -4.1913 2.3849 0.0000 H 0 0 0
- -6.4466 0.8564 0.0000 H 0 0 0
- -7.1095 -0.3649 0.0000 H 0 0 0
- -7.1517 -0.0433 0.0000 H 0 0 0
- -6.0917 -0.8553 0.0000 H 0 0 0
- -6.7225 -1.7215 0.0000 H 0 0 0
- -5.5039 -2.3991 0.0000 H 0 0 0
- -4.8263 -1.1805 0.0000 H 0 0 0
- -5.6026 1.8107 0.0000 H 0 0 0
- -6.8062 2.5145 0.0000 H 0 0 0
- -7.5100 1.3109 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 6 2 0
- 10 6 1 0
- 11 7 1 0
- 12 8 2 0
- 13 9 1 0
- 14 10 2 0
- 15 10 1 0
- 16 11 2 0
- 17 13 2 0
- 18 13 1 0
- 19 17 1 0
- 20 18 2 0
- 21 19 2 0
- 22 21 1 0
- 23 22 1 0
- 24 22 1 0
- 25 23 1 0
- 26 24 1 0
- 5 7 1 0
- 12 16 1 0
- 15 17 1 0
- 20 21 1 0
- 1 27 1 0
- 1 28 1 0
- 1 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 12 33 1 0
- 16 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 23 38 1 0
- 23 39 1 0
- 24 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
- 26 45 1 0
- 26 46 1 0
- 26 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19600-63-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.5097 -0.0312 -0.5639 C 0 0 0
- -3.7217 -0.7285 0.0573 C 0 0 0
- -3.4032 0.6380 0.3283 O 0 0 0
- -1.2438 -0.4386 0.1925 C 0 0 0
- -0.0319 0.2587 -0.4287 C 0 0 0
- 1.2341 -0.1487 0.3278 C 0 0 0
- 2.4460 0.5486 -0.2934 C 0 0 0
- 3.6930 0.1473 0.4517 C 0 0 0
- 4.6677 -0.4577 -0.1806 C 0 0 0
- -2.0517 0.8549 0.0000 H 0 0 0
- -4.7189 -0.7498 0.0000 H 0 0 0
- -3.4540 -1.6894 0.0000 H 0 0 0
- -1.7712 -1.2852 0.0000 H 0 0 0
- -0.5509 -1.1561 0.0000 H 0 0 0
- 0.4955 1.1053 0.0000 H 0 0 0
- -0.7248 0.9762 0.0000 H 0 0 0
- 0.7067 -0.9953 0.0000 H 0 0 0
- 1.9270 -0.8662 0.0000 H 0 0 0
- 2.9734 1.3952 0.0000 H 0 0 0
- 1.7531 1.2661 0.0000 H 0 0 0
- 4.1119 1.0525 0.0000 H 0 0 0
- 4.6359 -1.4546 0.0000 H 0 0 0
- 5.5470 0.0132 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 2 0
- 2 3 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-28-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.1133 0.5706 -0.2925 C 0 0 0
- 0.5548 -0.6413 -0.3936 C 0 0 0
- 0.5784 1.7138 0.0872 C 0 0 0
- -1.4811 0.6423 -0.5783 N 0 0 0
- 1.9125 -0.7071 -0.1148 C 0 0 0
- 1.9305 1.6453 0.3641 C 0 0 0
- -2.3469 -0.1669 0.0636 C 0 0 0
- 2.5987 0.4405 0.2645 C 0 0 0
- 2.5887 -1.9251 -0.2149 N 0 0 0
- -3.8007 -0.1813 -0.3333 C 0 0 0
- -1.9561 -0.8836 0.9607 O 0 0 0
- 0.0153 -1.5063 0.0000 H 0 0 0
- 0.1004 2.6143 0.0000 H 0 0 0
- -1.8303 1.6001 0.0000 H 0 0 0
- 2.4699 2.5104 0.0000 H 0 0 0
- 3.6180 0.4239 0.0000 H 0 0 0
- 2.0642 -2.7993 0.0000 H 0 0 0
- 3.6080 -1.9422 0.0000 H 0 0 0
- -3.8108 0.8381 0.0000 H 0 0 0
- -4.8201 -0.1914 0.0000 H 0 0 0
- -3.7906 -1.2007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15481-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 21 1 V2000
- -6.1745 -0.6863 -0.1693 C 0 0 0
- -7.0517 0.3092 -0.5766 C 0 0 0
- -5.0148 -0.3481 0.5133 C 0 0 0
- -6.4841 -2.1318 -0.4622 C 0 0 0
- -6.7661 1.6406 -0.2998 C 0 0 0
- -8.2200 -0.0269 -1.2643 N 0 0 0
- -4.7352 0.9857 0.7869 C 0 0 0
- -4.1296 -1.3467 0.9254 N 0 0 0
- -5.6104 1.9740 0.3801 C 0 0 0
- 5.2234 -0.1740 0.4903 Cl 0 0 0
- 13.8310 0.1263 -0.4147 Cl 0 0 0
- -7.4572 -1.9234 0.0000 H 0 0 0
- -6.6925 -3.1049 0.0000 H 0 0 0
- -5.5110 -2.3402 0.0000 H 0 0 0
- -7.4938 2.3194 0.0000 H 0 0 0
- -8.9364 0.6638 0.0000 H 0 0 0
- -8.4599 -0.9927 0.0000 H 0 0 0
- -3.7733 1.2406 0.0000 H 0 0 0
- -4.4445 -2.2907 0.0000 H 0 0 0
- -3.1546 -1.1474 0.0000 H 0 0 0
- -5.3329 2.9297 0.0000 H 0 0 0
- 6.2185 -0.1740 0.0000 H 0 0 0
- 14.8261 0.1263 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 7 9 2 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4350-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.1439 0.3033 0.2430 C 0 0 0
- -2.0461 1.3150 -0.1306 C 0 0 0
- 0.1539 0.9606 0.4154 C 0 0 0
- -1.5865 -1.0156 0.3681 C 0 0 0
- -1.3352 2.4957 -0.1779 N 0 0 0
- -3.3780 0.9920 -0.3686 C 0 0 0
- -0.0275 2.2640 0.1503 C 0 0 0
- 1.4476 0.2989 0.8148 C 0 0 0
- -2.9112 -1.3164 0.1230 C 0 0 0
- -3.8043 -0.3106 -0.2380 C 0 0 0
- 2.3032 0.0586 -0.4306 C 0 0 0
- -3.3479 -2.5987 0.2431 O 0 0 0
- 3.6750 -0.4070 -0.0154 C 0 0 0
- 1.6704 -0.9685 -1.2687 N 0 0 0
- 4.6494 0.4892 0.2063 O 0 0 0
- 3.8978 -1.5870 0.1180 O 0 0 0
- -0.9046 -1.7697 0.0000 H 0 0 0
- -1.7560 3.4212 0.0000 H 0 0 0
- -4.0682 1.7385 0.0000 H 0 0 0
- 0.7046 2.9694 0.0000 H 0 0 0
- 0.6326 -0.3088 0.0000 H 0 0 0
- 1.6331 -0.7007 0.0000 H 0 0 0
- -4.7997 -0.5175 0.0000 H 0 0 0
- 2.6041 1.0297 0.0000 H 0 0 0
- -3.6756 -3.5611 0.0000 H 0 0 0
- 0.6542 -0.9395 0.0000 H 0 0 0
- 2.1534 -1.8631 0.0000 H 0 0 0
- 5.3977 1.1774 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 2 0
- 5 7 1 0
- 9 10 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13345-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -0.0122 -0.4025 -0.0019 C 0 0 0
- -1.4149 -0.3021 -0.0015 C 0 0 0
- 0.7722 0.7647 -0.0005 C 0 0 0
- 0.6214 -1.7218 0.0025 C 0 0 0
- -2.0192 0.9753 -0.0003 C 0 0 0
- -2.2097 -1.4707 -0.0020 C 0 0 0
- 2.2273 0.6250 -0.0008 C 0 0 0
- 0.1469 2.0252 0.0008 C 0 0 0
- 2.0030 -1.8204 0.0017 C 0 0 0
- -0.2296 -2.9121 0.0070 C 0 0 0
- -1.2065 2.1291 0.0010 C 0 0 0
- -3.4219 1.0634 0.0000 C 0 0 0
- -1.5746 -2.7858 -0.0023 C 0 0 0
- -3.6009 -1.3425 -0.0017 C 0 0 0
- 2.8068 -0.6687 -0.0025 C 0 0 0
- 3.0560 1.7535 0.0010 C 0 0 0
- -4.1866 -0.0914 -0.0009 C 0 0 0
- -4.0265 2.2788 0.0017 O 0 0 0
- 4.2110 -0.7868 -0.0023 C 0 0 0
- 4.4106 1.6007 0.0011 C 0 0 0
- 4.9851 0.3320 -0.0006 C 0 0 0
- 0.7364 2.8991 0.0000 H 0 0 0
- 2.4568 -2.7718 0.0000 H 0 0 0
- 0.2081 -3.8710 0.0000 H 0 0 0
- -1.6557 3.0827 0.0000 H 0 0 0
- -2.1761 -3.6514 0.0000 H 0 0 0
- -4.2068 -2.2050 0.0000 H 0 0 0
- 2.6334 2.7192 0.0000 H 0 0 0
- -5.2379 -0.0140 0.0000 H 0 0 0
- -4.4960 3.2226 0.0000 H 0 0 0
- 4.6608 -1.7401 0.0000 H 0 0 0
- 5.0307 2.4531 0.0000 H 0 0 0
- 6.0349 0.2372 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 2.7401 -0.1478 0.1857 C 0 0 0
- 1.3494 0.1606 0.5602 C 0 0 0
- 3.6346 0.8888 -0.1254 C 0 0 0
- 3.1797 -1.4743 0.1434 C 0 0 0
- 0.3309 -0.3005 -0.1923 O 0 0 0
- 1.1204 0.8308 1.5477 O 0 0 0
- 4.9441 0.5843 -0.4767 C 0 0 0
- 3.2128 2.2108 -0.0827 N 0 0 0
- 4.4815 -1.7557 -0.2071 C 0 0 0
- -1.0401 0.0035 0.1769 C 0 0 0
- 5.3606 -0.7301 -0.5188 C 0 0 0
- -1.9941 -0.6340 -0.8352 C 0 0 0
- -3.4170 -0.3184 -0.4521 C 0 0 0
- -4.0282 0.8205 -0.9416 C 0 0 0
- -4.1130 -1.1712 0.3846 C 0 0 0
- -5.3336 1.1100 -0.5900 C 0 0 0
- -5.4180 -0.8818 0.7360 C 0 0 0
- -6.0274 0.2605 0.2509 C 0 0 0
- 2.5096 -2.2204 0.0000 H 0 0 0
- 5.6249 1.3207 0.0000 H 0 0 0
- 3.8878 2.9525 0.0000 H 0 0 0
- 2.2330 2.4245 0.0000 H 0 0 0
- 4.8014 -2.7062 0.0000 H 0 0 0
- -0.5835 0.8964 0.0000 H 0 0 0
- -1.7893 0.6702 0.0000 H 0 0 0
- 6.3433 -0.9302 0.0000 H 0 0 0
- -2.4507 -1.5268 0.0000 H 0 0 0
- -1.2450 -1.3007 0.0000 H 0 0 0
- -3.4227 1.6199 0.0000 H 0 0 0
- -3.7842 -2.1186 0.0000 H 0 0 0
- -5.6622 2.0575 0.0000 H 0 0 0
- -6.0245 -1.6805 0.0000 H 0 0 0
- -7.0255 0.3580 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 1 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 9 11 1 0
- 17 18 1 0
- 4 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2531-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.4061 -0.3549 0.0013 C 0 0 0
- -1.0591 -0.3841 0.0010 C 0 0 0
- 1.0600 0.8981 0.0004 C 0 0 0
- 1.1610 -1.5293 -0.0033 C 0 0 0
- -1.7624 0.8418 -0.0001 C 0 0 0
- -1.7667 -1.5877 0.0014 C 0 0 0
- 2.4616 0.9376 0.0007 C 0 0 0
- 0.2988 2.0898 -0.0011 C 0 0 0
- 2.5249 -1.4572 -0.0028 C 0 0 0
- -1.0494 2.0629 -0.0014 C 0 0 0
- -3.1645 0.8254 -0.0004 C 0 0 0
- -3.1323 -1.5700 0.0006 C 0 0 0
- 3.1717 -0.2269 0.0018 C 0 0 0
- -3.8276 -0.3665 0.0004 C 0 0 0
- 4.6779 -0.1791 0.0015 C 0 0 0
- 0.6836 -2.4613 0.0000 H 0 0 0
- -1.2526 -2.5000 0.0000 H 0 0 0
- 2.9613 1.8578 0.0000 H 0 0 0
- 0.7927 3.0131 0.0000 H 0 0 0
- 3.0898 -2.3389 0.0000 H 0 0 0
- -1.5798 2.9658 0.0000 H 0 0 0
- -3.7005 1.7249 0.0000 H 0 0 0
- -3.6616 -2.4735 0.0000 H 0 0 0
- -4.8747 -0.3750 0.0000 H 0 0 0
- 4.7111 -1.2257 0.0000 H 0 0 0
- 5.7245 -0.1459 0.0000 H 0 0 0
- 4.6447 0.8675 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 11 14 2 0
- 13 15 1 0
- 8 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28166-06-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.9946 -0.2319 -0.0034 C 0 0 0
- -0.1355 -0.9825 -0.0036 C 0 0 0
- 0.9300 1.1637 -0.0009 C 0 0 0
- 2.3147 -0.9011 0.0003 N 0 3 0
- -1.4458 -0.3019 -0.0011 C 0 0 0
- -0.2886 1.8477 0.0016 C 0 0 0
- 2.0798 1.8730 -0.0004 F 0 0 0
- 2.3810 -2.1173 0.0032 O 0 0 0
- 3.5006 -0.1274 0.0006 O 0 5 0
- -1.4662 1.1746 0.0016 C 0 0 0
- -2.5580 -0.9881 -0.0016 N 0 0 0
- -3.5474 -0.4547 0.0003 N 0 3 0
- -4.5368 0.0786 0.0023 N 0 5 0
- -0.0810 -1.9985 0.0000 H 0 0 0
- -0.2926 2.8652 0.0000 H 0 0 0
- -2.3498 1.6792 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 12 13 2 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-126983-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.6824 0.4776 0.0034 C 0 0 0
- -1.4459 -0.7115 0.0025 C 0 0 0
- 0.7123 0.3555 0.0021 C 0 0 0
- -1.5413 1.5471 0.0002 N 0 0 0
- -2.8553 -0.2939 0.0041 C 0 0 0
- -0.7945 -1.9405 0.0000 C 0 0 0
- 1.2851 -0.9250 0.0000 C 0 0 0
- 1.5813 1.5489 0.0024 C 0 0 0
- -2.8496 1.1141 -0.0030 C 0 0 0
- -4.0718 -0.9682 0.0037 C 0 0 0
- 0.5202 -2.0100 -0.0015 N 0 0 0
- -1.6053 -3.2108 -0.0004 C 0 0 0
- 2.7621 -1.0509 -0.0014 C 0 0 0
- 3.0401 1.3937 0.0005 C 0 0 0
- 1.0879 2.6605 0.0039 O 0 0 0
- -4.0774 1.7729 -0.0069 C 0 0 0
- -5.2048 -0.2950 0.0051 N 0 0 0
- 3.6030 0.1681 -0.0006 C 0 0 0
- 3.2803 -2.1490 -0.0028 O 0 0 0
- -5.2363 1.0267 -0.0094 C 0 0 0
- 4.9515 0.0509 -0.0019 O 0 0 0
- 5.4814 1.3780 -0.0006 C 0 0 0
- -1.2457 2.5476 0.0000 H 0 0 0
- -4.0874 -2.0113 0.0000 H 0 0 0
- -2.4847 -2.6495 0.0000 H 0 0 0
- -2.1666 -4.0902 0.0000 H 0 0 0
- -0.7259 -3.7721 0.0000 H 0 0 0
- 3.6489 2.2409 0.0000 H 0 0 0
- -4.1189 2.8153 0.0000 H 0 0 0
- -6.1580 1.5153 0.0000 H 0 0 0
- 6.4502 0.9912 0.0000 H 0 0 0
- 5.8682 2.3468 0.0000 H 0 0 0
- 4.5126 1.7648 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 13 18 1 0
- 13 19 2 0
- 16 20 2 0
- 18 21 1 0
- 21 22 1 0
- 5 9 2 0
- 7 11 1 0
- 14 18 2 0
- 17 20 1 0
- 4 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 16 29 1 0
- 20 30 1 0
- 22 31 1 0
- 22 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91423-46-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- 2.8344 -0.2810 -0.0428 C 0 0 0
- 1.6739 0.3164 0.2819 C 0 0 0
- 4.0089 0.2673 0.3443 O 0 0 0
- 0.4461 -0.2568 -0.1228 C 0 0 0
- 5.0447 -0.5871 -0.1450 C 0 0 0
- -0.7263 0.3468 0.2054 C 0 0 0
- 6.4070 -0.0209 0.2608 C 0 0 0
- -1.9485 -0.2237 -0.1975 C 0 0 0
- 7.5159 -0.9356 -0.2631 C 0 0 0
- 6.5646 1.2858 -0.2959 O 0 0 0
- -3.1226 0.3807 0.1311 C 0 0 0
- 8.7882 -0.4068 0.1159 O 0 0 0
- -4.3457 -0.1903 -0.2720 C 0 0 0
- -5.5164 0.4124 0.0556 C 0 0 0
- -6.7852 -0.1799 -0.3626 C 0 0 0
- -7.9376 0.4133 -0.0401 C 0 0 0
- -9.2460 -0.1974 -0.4714 C 0 0 0
- -10.0880 -0.5240 0.7637 C 0 0 0
- 2.8149 -1.2878 0.0000 H 0 0 0
- 1.6933 1.3232 0.0000 H 0 0 0
- 0.4266 -1.2636 0.0000 H 0 0 0
- 4.2867 -1.2501 0.0000 H 0 0 0
- 5.5765 -1.4423 0.0000 H 0 0 0
- -0.7068 1.3536 0.0000 H 0 0 0
- 7.3420 0.3531 0.0000 H 0 0 0
- -1.9680 -1.2305 0.0000 H 0 0 0
- 6.7579 -1.5986 0.0000 H 0 0 0
- 8.0477 -1.7908 0.0000 H 0 0 0
- 6.6852 2.2856 0.0000 H 0 0 0
- -3.1032 1.3875 0.0000 H 0 0 0
- 9.7181 -0.0203 0.0000 H 0 0 0
- -4.3652 -1.1971 0.0000 H 0 0 0
- -5.4969 1.4192 0.0000 H 0 0 0
- -6.8046 -1.1867 0.0000 H 0 0 0
- -7.9181 1.4201 0.0000 H 0 0 0
- -9.3779 -1.1958 0.0000 H 0 0 0
- -8.4339 -0.7929 0.0000 H 0 0 0
- -10.4522 0.4149 0.0000 H 0 0 0
- -11.0269 -0.8882 0.0000 H 0 0 0
- -9.7238 -1.4629 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 1 0
- 8 11 2 0
- 9 12 1 0
- 11 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 1 0
- 1 19 1 0
- 2 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 18 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81424-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.5113 -0.3646 0.3335 N 0 0 0
- -0.5868 -0.1308 0.8057 O 0 0 0
- 1.3549 0.6490 0.0552 C 0 0 0
- 0.8850 -1.6373 0.0944 C 0 0 0
- -1.6380 0.0741 -0.0066 C 0 0 0
- 1.0461 1.9055 0.4325 N 0 0 0
- 2.3942 0.4299 -0.5361 O 0 0 0
- 0.6950 -2.6904 1.1555 C 0 0 0
- 1.3743 -1.9350 -0.9747 O 0 0 0
- -2.8531 0.3327 0.5160 N 0 0 0
- -1.4926 0.0261 -1.2124 O 0 0 0
- 1.9631 3.0073 0.1300 C 0 0 0
- -3.9987 0.5561 -0.3694 C 0 0 0
- 0.2093 2.0984 0.0000 H 0 0 0
- -0.1501 -2.5379 0.0000 H 0 0 0
- 0.5425 -3.5355 0.0000 H 0 0 0
- 1.5401 -2.8429 0.0000 H 0 0 0
- -2.6815 1.1741 0.0000 H 0 0 0
- 2.6231 2.4580 0.0000 H 0 0 0
- 2.5124 3.6673 0.0000 H 0 0 0
- 1.3031 3.5566 0.0000 H 0 0 0
- -3.8343 1.3989 0.0000 H 0 0 0
- -4.8415 0.7205 0.0000 H 0 0 0
- -4.1631 -0.2867 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 10 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-709-49-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.2284 -2.0242 -0.0014 N 0 3 0
- -0.3523 -3.0949 0.0031 O 0 5 0
- 1.4459 -1.9918 -0.0092 O 0 0 0
- -0.5456 -0.7625 -0.0034 C 0 0 0
- -1.9271 -0.7993 -0.0002 C 0 0 0
- 0.1138 0.4533 -0.0028 C 0 0 0
- -2.6501 0.3792 -0.0022 C 0 0 0
- 2.2080 0.5095 0.0019 I 0 0 0
- -0.6096 1.6318 -0.0047 C 0 0 0
- -4.1298 0.3396 0.0017 N 0 3 0
- -1.9915 1.5944 -0.0073 C 0 0 0
- -4.7669 1.3777 0.0000 O 0 0 0
- -4.7103 -0.7312 0.0066 O 0 5 0
- -2.4214 -1.7107 0.0000 H 0 0 0
- -0.1156 2.5434 0.0000 H 0 0 0
- -2.5340 2.4780 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 6 2 0
- 10 7 1 0
- 11 7 2 0
- 12 10 2 0
- 13 10 1 0
- 9 11 1 0
- 5 14 1 0
- 9 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-316-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.2890 -0.2781 -0.0021 C 0 0 0
- -1.7174 -0.6251 -0.0016 C 0 0 0
- 0.0890 1.1362 -0.0005 C 0 0 0
- 0.6829 -1.2650 0.0016 C 0 0 0
- -2.6780 0.4081 0.0005 C 0 0 0
- -2.1322 -1.9579 -0.0027 C 0 0 0
- 1.4311 1.5001 -0.0014 C 0 0 0
- -0.9591 2.1551 0.0016 C 0 0 0
- 2.0336 -0.9049 0.0015 C 0 0 0
- -2.2597 1.8060 0.0016 C 0 0 0
- -4.0400 0.0750 0.0011 C 0 0 0
- -3.4768 -2.2528 -0.0017 C 0 0 0
- 2.4155 0.5094 -0.0038 C 0 0 0
- -0.5796 3.6135 0.0038 C 0 0 0
- 3.0490 -1.8820 0.0061 C 0 0 0
- -4.4219 -1.2348 -0.0005 C 0 0 0
- 3.7857 0.8415 -0.0043 C 0 0 0
- 4.3516 -1.4950 0.0066 C 0 0 0
- 4.7154 -0.1493 -0.0062 C 0 0 0
- 0.4072 -2.2760 0.0000 H 0 0 0
- -1.4237 -2.7300 0.0000 H 0 0 0
- 1.7024 2.5123 0.0000 H 0 0 0
- -2.9901 2.5575 0.0000 H 0 0 0
- -4.7646 0.8321 0.0000 H 0 0 0
- -3.7898 -3.2529 0.0000 H 0 0 0
- 0.4346 3.3496 0.0000 H 0 0 0
- -0.3157 4.6277 0.0000 H 0 0 0
- -1.5938 3.8774 0.0000 H 0 0 0
- 2.8012 -2.9002 0.0000 H 0 0 0
- -5.4417 -1.4760 0.0000 H 0 0 0
- 4.0851 1.8458 0.0000 H 0 0 0
- 5.1017 -2.2268 0.0000 H 0 0 0
- 5.7321 0.1047 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 2 0
- 17 19 2 0
- 8 10 1 0
- 9 13 1 0
- 12 16 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-09-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 1.6128 0.4206 -0.5664 C 0 0 0
- 0.1501 0.1925 -0.2848 C 0 0 0
- 2.3724 0.5507 0.7553 C 0 0 0
- 2.3772 -0.6533 -0.0145 O 0 0 0
- -0.7069 1.2703 -0.1650 C 0 0 0
- -0.3358 -1.0950 -0.1518 C 0 0 0
- -2.0488 1.0611 0.0934 C 0 0 0
- -1.6774 -1.3041 0.1065 C 0 0 0
- -2.5335 -0.2258 0.2320 C 0 0 0
- 1.4473 1.4321 0.0000 H 0 0 0
- 3.3956 0.6113 0.0000 H 0 0 0
- 2.2554 1.5690 0.0000 H 0 0 0
- -0.3342 2.2251 0.0000 H 0 0 0
- 0.3105 -1.8905 0.0000 H 0 0 0
- -2.6954 1.8564 0.0000 H 0 0 0
- -2.0505 -2.2588 0.0000 H 0 0 0
- -3.5461 -0.3845 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 5 7 1 0
- 6 8 2 0
- 7 9 2 0
- 3 4 1 0
- 8 9 1 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74367-78-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7741 1.1956 -0.1043 C 0 0 0
- -1.4434 -0.0034 0.0561 C 0 0 0
- 0.5697 1.1991 -0.4276 C 0 0 0
- -1.4980 2.4756 0.0643 N 0 3 0
- -0.7688 -1.1987 -0.1070 C 0 0 0
- 1.2446 0.0035 -0.5907 C 0 0 0
- -0.9083 3.5320 -0.0769 O 0 0 0
- -2.6834 2.4726 0.3443 O 0 5 0
- 0.5754 -1.1952 -0.4304 C 0 0 0
- -1.4855 -2.4824 0.0642 N 0 3 0
- 2.7099 0.0072 -0.9428 C 0 0 0
- -0.8910 -3.5357 -0.0795 O 0 0 0
- -2.6698 -2.4854 0.3488 O 0 5 0
- 3.6913 0.0074 0.5697 Cl 0 0 0
- -2.4622 -0.0058 0.0000 H 0 0 0
- 1.0822 2.0796 0.0000 H 0 0 0
- 1.0923 -2.0731 0.0000 H 0 0 0
- 3.2184 0.8900 0.0000 H 0 0 0
- 2.1990 0.8886 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 6 9 2 0
- 2 15 1 0
- 3 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1013-96-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.4840 -0.6339 -0.0089 C 0 0 0
- -1.6580 0.1255 -0.0295 C 0 0 0
- 0.8279 0.0327 0.0128 C 0 0 0
- -0.5631 -2.0304 -0.0032 C 0 0 0
- -2.8835 -0.5066 -0.0493 C 0 0 0
- -1.5855 1.6039 -0.0296 N 0 3 0
- 1.9584 -0.7034 0.0327 C 0 0 0
- -1.7959 -2.6474 -0.0179 C 0 0 0
- -2.9533 -1.8887 -0.0489 C 0 0 0
- -2.2782 2.2477 0.7380 O 0 0 0
- -0.8330 2.1767 -0.7972 O 0 5 0
- 3.2619 -0.0411 0.0543 C 0 0 0
- 4.3923 -0.7771 0.0741 O 0 0 0
- 3.3270 1.1734 0.0544 O 0 0 0
- 0.8833 1.0673 0.0000 H 0 0 0
- 0.3026 -2.5996 0.0000 H 0 0 0
- -3.7543 0.0547 0.0000 H 0 0 0
- 1.9030 -1.7380 0.0000 H 0 0 0
- -1.8561 -3.6817 0.0000 H 0 0 0
- -3.8770 -2.3579 0.0000 H 0 0 0
- 5.2605 -1.3424 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 1 0
- 12 14 2 0
- 8 9 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16430-32-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.0663 0.0011 -0.4040 C 0 0 0
- 0.6079 -1.2049 -0.2227 C 0 0 0
- 0.6142 1.2038 -0.2223 C 0 0 0
- -1.5204 0.0049 -0.8000 C 0 0 0
- 2.0246 -1.2085 0.1568 C 0 0 0
- -0.0503 -2.4414 -0.3979 C 0 0 0
- 2.0307 1.2001 0.1572 C 0 0 0
- -0.0376 2.4436 -0.3971 C 0 0 0
- -2.3471 0.0035 0.3936 O 0 0 0
- 2.7051 -0.0062 0.3385 C 0 0 0
- 2.6765 -2.4483 0.3326 C 0 0 0
- 0.6363 -3.5976 -0.2129 C 0 0 0
- 2.6890 2.4362 0.3334 C 0 0 0
- 0.6549 3.5964 -0.2117 C 0 0 0
- -3.6849 0.0063 0.2835 C 0 0 0
- 1.9841 -3.6011 0.1482 C 0 0 0
- 2.0026 3.5928 0.1493 C 0 0 0
- -4.5429 0.0049 1.5224 C 0 0 0
- -4.2011 0.0100 -0.8089 O 0 0 0
- -1.0013 0.9016 0.0000 H 0 0 0
- -2.0387 0.9021 0.0000 H 0 0 0
- -1.0862 -2.4656 0.0000 H 0 0 0
- -1.0733 2.4731 0.0000 H 0 0 0
- 3.7412 -0.0089 0.0000 H 0 0 0
- 3.7122 -2.4777 0.0000 H 0 0 0
- 0.1226 -4.4974 0.0000 H 0 0 0
- 3.7249 2.4602 0.0000 H 0 0 0
- 0.1458 4.4989 0.0000 H 0 0 0
- 2.4932 -4.5035 0.0000 H 0 0 0
- 2.5165 4.4925 0.0000 H 0 0 0
- -4.5446 1.0410 0.0000 H 0 0 0
- -5.5790 0.0032 0.0000 H 0 0 0
- -4.5412 -1.0312 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 15 19 2 0
- 7 10 1 0
- 12 16 1 0
- 14 17 1 0
- 4 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2851-80-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -4.9450 0.3452 -0.0011 C 0 0 0
- -3.4653 0.0594 -0.0015 C 0 0 0
- -2.5597 1.1053 -0.0003 C 0 0 0
- -3.0144 -1.2485 0.0027 C 0 0 0
- -1.2054 0.8458 -0.0002 C 0 0 0
- -1.6617 -1.5173 0.0028 C 0 0 0
- -0.7419 -0.4668 -0.0014 C 0 0 0
- 0.0000 1.7537 0.0009 C 0 0 0
- 0.7420 -0.4669 -0.0010 C 0 0 0
- 1.2056 0.8461 0.0003 C 0 0 0
- 1.6614 -1.5171 -0.0018 C 0 0 0
- 2.5595 1.1055 0.0009 C 0 0 0
- 3.0146 -1.2483 -0.0012 C 0 0 0
- 3.4653 0.0592 0.0001 C 0 0 0
- 4.9450 0.3449 0.0008 C 0 0 0
- -4.7470 1.3703 0.0000 H 0 0 0
- -5.9701 0.5432 0.0000 H 0 0 0
- -5.1430 -0.6799 0.0000 H 0 0 0
- -2.9019 2.0917 0.0000 H 0 0 0
- -3.7008 -2.0351 0.0000 H 0 0 0
- -1.3256 -2.5058 0.0000 H 0 0 0
- 0.7029 2.5256 0.0000 H 0 0 0
- -0.7031 2.5255 0.0000 H 0 0 0
- 1.3253 -2.5055 0.0000 H 0 0 0
- 2.9017 2.0918 0.0000 H 0 0 0
- 3.7010 -2.0349 0.0000 H 0 0 0
- 5.1429 -0.6802 0.0000 H 0 0 0
- 5.9701 0.5428 0.0000 H 0 0 0
- 4.7471 1.3700 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 2 0
- 12 10 2 0
- 13 11 1 0
- 14 12 1 0
- 15 14 1 0
- 6 7 1 0
- 9 10 1 0
- 13 14 2 0
- 1 16 1 0
- 1 17 1 0
- 1 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-542-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.0435 -0.3479 -0.4059 C 0 0 0
- -1.2852 -0.9495 -0.0272 C 0 0 0
- 1.0655 -0.4487 0.4101 C 0 0 0
- -2.5365 0.3472 0.0339 Cl 0 0 0
- 2.5962 0.2443 -0.0261 Cl 0 0 0
- -0.1480 0.8135 0.0000 H 0 0 0
- -2.2198 -1.6651 0.0000 H 0 0 0
- -0.6807 -1.9595 0.0000 H 0 0 0
- 1.2570 -1.6101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1516-21-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3111 -0.2615 0.0022 C 0 0 0
- -0.5955 -1.4794 0.0011 C 0 0 0
- -0.6054 0.9625 0.0022 C 0 0 0
- -2.6439 -0.2670 -0.0022 N 0 0 0
- 0.7664 -1.4638 -0.0001 C 0 0 0
- 0.7562 0.9582 0.0011 C 0 0 0
- -3.2573 0.7852 -0.0012 O 0 0 0
- 1.4547 -0.2501 0.0000 C 0 0 0
- 2.8089 -0.2445 -0.0012 O 0 0 0
- 3.2162 1.1252 -0.0009 C 0 0 0
- -1.1039 -2.3797 0.0000 H 0 0 0
- -1.1212 1.8586 0.0000 H 0 0 0
- 1.2919 -2.3543 0.0000 H 0 0 0
- 1.2744 1.8530 0.0000 H 0 0 0
- 4.2073 0.8305 0.0000 H 0 0 0
- 3.5109 2.1163 0.0000 H 0 0 0
- 2.2251 1.4199 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 8 9 1 0
- 9 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2185-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -1.4749 -0.5413 -0.0517 C 0 0 0
- -2.5903 0.4359 -0.0365 C 0 0 0
- -0.8175 -0.8708 1.1321 C 0 0 0
- -1.0838 -1.1380 -1.2493 C 0 0 0
- -3.9057 -0.0012 0.1609 C 0 0 0
- -2.3338 1.7930 -0.2127 C 0 0 0
- 0.2201 -1.7810 1.1119 C 0 0 0
- -0.0452 -2.0465 -1.2575 C 0 0 0
- -4.9423 0.9209 0.1740 C 0 0 0
- -4.1729 -1.3577 0.3441 N 0 0 0
- -3.3754 2.6990 -0.1973 C 0 0 0
- 0.6076 -2.3655 -0.0802 C 0 0 0
- -4.6753 2.2644 -0.0073 C 0 0 0
- 9.9211 0.7504 0.0381 Cl 0 0 0
- -0.2396 -0.0121 0.0000 H 0 0 0
- -1.8646 -1.8175 0.0000 H 0 0 0
- -1.3560 2.1324 0.0000 H 0 0 0
- 0.9996 -1.1000 0.0000 H 0 0 0
- -0.6181 -2.9085 0.0000 H 0 0 0
- -5.9236 0.5916 0.0000 H 0 0 0
- -5.1524 -1.6922 0.0000 H 0 0 0
- -3.3934 -2.0387 0.0000 H 0 0 0
- -3.1732 3.7141 0.0000 H 0 0 0
- 1.3858 -3.0480 0.0000 H 0 0 0
- -5.4520 2.9486 0.0000 H 0 0 0
- 10.9561 0.7504 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 2 0
- 9 13 1 0
- 8 12 1 0
- 11 13 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-628-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 3.1335 0.0362 -0.0013 C 0 0 0
- 1.7877 0.7144 -0.0001 C 0 0 0
- 4.2606 0.7753 -0.0006 N 0 0 0
- 3.2024 -1.1746 0.0023 O 0 0 0
- 0.6832 -0.3443 -0.0012 C 0 0 0
- -0.6832 0.3443 0.0000 C 0 0 0
- -1.7877 -0.7144 -0.0011 C 0 0 0
- -3.1335 -0.0362 0.0000 C 0 0 0
- -4.2606 -0.7753 -0.0006 N 0 0 0
- -3.2024 1.1746 0.0016 O 0 0 0
- 2.4072 1.6598 0.0000 H 0 0 0
- 0.9184 1.4367 0.0000 H 0 0 0
- 5.2700 0.2667 0.0000 H 0 0 0
- 4.1964 1.9037 0.0000 H 0 0 0
- 0.0637 -1.2897 0.0000 H 0 0 0
- 1.5525 -1.0666 0.0000 H 0 0 0
- -0.0637 1.2897 0.0000 H 0 0 0
- -1.5525 1.0666 0.0000 H 0 0 0
- -2.4072 -1.6598 0.0000 H 0 0 0
- -0.9184 -1.4367 0.0000 H 0 0 0
- -5.2700 -0.2667 0.0000 H 0 0 0
- -4.1964 -1.9037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-65-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.1454 -0.2962 -0.0175 C 0 0 0
- 0.5346 0.9282 0.0288 C 0 0 0
- 0.5815 -1.4886 -0.0604 C 0 0 0
- -1.6205 -0.3263 -0.0147 C 0 0 0
- 1.9216 0.9443 0.0315 C 0 0 0
- -0.1604 2.0924 0.0702 O 0 0 0
- 1.9589 -1.4539 -0.0570 C 0 0 0
- -2.2998 -0.1717 -1.1685 N 0 0 0
- -2.2233 -0.4904 1.0284 O 0 0 0
- 2.6276 -0.2414 -0.0112 C 0 0 0
- 0.0853 -2.3989 0.0000 H 0 0 0
- 2.4287 1.8486 0.0000 H 0 0 0
- -0.6918 2.9826 0.0000 H 0 0 0
- 2.4972 -2.3399 0.0000 H 0 0 0
- -2.6060 0.8188 0.0000 H 0 0 0
- -3.0045 -0.9321 0.0000 H 0 0 0
- 3.6642 -0.2243 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115453-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 2.2213 -0.4292 -0.3163 C 0 0 1
- 0.8774 0.2372 -0.0152 C 0 0 0
- 3.3411 0.5128 0.0440 C 0 0 0
- 2.3448 -1.6614 0.4738 N 0 0 0
- -0.4704 -0.8967 -0.4489 S 0 0 0
- 3.8165 1.3717 -0.8715 O 0 0 0
- 3.8109 0.4951 1.1570 O 0 0 0
- -1.8586 0.0972 -0.0131 C 0 0 0
- -3.0835 -0.3704 -0.1775 C 0 0 0
- -4.4512 0.6088 0.2519 Cl 0 0 0
- 3.2381 -0.8421 0.0000 H 0 0 0
- 1.4947 1.1446 0.0000 H 0 0 0
- 0.0628 0.9726 0.0000 H 0 0 0
- 1.4538 -2.3022 0.0000 H 0 0 0
- 3.3452 -2.1126 0.0000 H 0 0 0
- 4.3480 2.3319 0.0000 H 0 0 0
- -1.7181 1.1857 0.0000 H 0 0 0
- -3.2240 -1.4589 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 2 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33448-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -2.2802 0.5708 0.0735 C 0 0 0
- -3.1266 -0.3654 0.6903 C 0 0 0
- -0.9918 0.2170 -0.3617 C 0 0 0
- -2.7374 1.8989 -0.1191 C 0 0 0
- -2.6630 -1.7839 0.8997 C 0 0 0
- -4.3682 0.0138 1.0988 C 0 0 0
- -0.4873 -1.1902 -0.1711 C 0 0 0
- -0.2004 1.1505 -0.9561 C 0 0 0
- -4.0273 2.2524 0.3113 C 0 0 0
- -1.8916 2.8358 -0.7372 C 0 0 0
- -1.6704 -2.1614 -0.2028 C 0 0 0
- -4.8153 1.3208 0.9148 C 0 0 0
- -0.6482 2.4576 -1.1410 C 0 0 0
- -1.1864 -3.5301 0.0218 N 0 0 0
- -0.8800 -4.0918 -1.3005 C 0 0 0
- 10.8994 0.3365 0.3305 Cl 0 0 0
- -3.6611 -1.8734 0.0000 H 0 0 0
- -2.7998 -2.7766 0.0000 H 0 0 0
- -5.0649 -0.7064 0.0000 H 0 0 0
- 0.0560 -2.0322 0.0000 H 0 0 0
- 0.4112 -0.7466 0.0000 H 0 0 0
- 0.7843 0.9646 0.0000 H 0 0 0
- -4.3240 3.2095 0.0000 H 0 0 0
- -2.1595 3.8014 0.0000 H 0 0 0
- -2.3873 -2.8616 0.0000 H 0 0 0
- -5.8000 1.5063 0.0000 H 0 0 0
- 0.0479 3.1784 0.0000 H 0 0 0
- -2.1015 -3.9384 0.0000 H 0 0 0
- -1.7597 -4.5717 0.0000 H 0 0 0
- -0.4001 -4.9715 0.0000 H 0 0 0
- -0.0003 -3.6119 0.0000 H 0 0 0
- 11.9015 0.3365 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 14 15 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 2 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142129-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 22 1 V2000
- -2.1381 0.7204 -0.1918 C 0 0 2
- -2.1031 -0.7670 0.1944 C 0 0 2
- -0.7991 1.4403 -0.3853 C 0 0 1
- -1.5392 1.5144 0.8346 O 0 0 0
- -0.7341 -1.4290 0.3790 C 0 0 1
- -1.4765 -1.5327 -0.8372 O 0 0 0
- 0.4954 0.6980 -0.1846 C 0 0 0
- 0.5296 -0.6334 0.1698 C 0 0 0
- 1.6904 1.3845 -0.3642 C 0 0 0
- 1.6914 -1.2486 0.3361 N 0 0 0
- 2.8827 0.7044 -0.1804 C 0 0 0
- 2.8422 -0.6311 0.1746 C 0 0 0
- -3.0920 1.0274 0.0000 H 0 0 0
- -3.0428 -1.1150 0.0000 H 0 0 0
- -0.4932 2.3946 0.0000 H 0 0 0
- -0.3902 -2.3702 0.0000 H 0 0 0
- 1.6889 2.3866 0.0000 H 0 0 0
- 3.7567 1.1945 0.0000 H 0 0 0
- 3.6942 -1.1586 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 2 0
- 3 4 1 0
- 5 6 1 0
- 7 8 2 0
- 11 12 1 0
- 1 13 1 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-166664-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.9008 0.5442 0.0039 C 0 0 0
- -0.7517 -0.8645 0.0035 C 0 0 0
- 0.2109 1.3533 0.0028 C 0 0 0
- -2.2668 0.7884 -0.0001 N 0 0 0
- 0.4532 -1.4187 0.0017 N 0 0 0
- -1.9965 -1.3885 0.0048 N 0 0 0
- 1.4758 0.7371 0.0013 C 0 0 0
- -2.8888 -0.4268 -0.0027 C 0 0 0
- -2.9177 2.1009 -0.0009 C 0 0 0
- 1.5633 -0.6788 0.0002 C 0 0 0
- 2.6572 1.4995 -0.0002 C 0 0 0
- -4.2501 -0.6150 -0.0066 N 0 0 0
- 2.7684 -1.2631 -0.0019 N 0 0 0
- 3.8527 0.8365 -0.0018 C 0 0 0
- 3.8722 -0.5555 -0.0038 C 0 0 0
- 0.1204 2.3800 0.0000 H 0 0 0
- -1.9943 2.5588 0.0000 H 0 0 0
- -3.3756 3.0243 0.0000 H 0 0 0
- -3.8411 1.6430 0.0000 H 0 0 0
- 2.6228 2.5296 0.0000 H 0 0 0
- -4.8828 0.1986 0.0000 H 0 0 0
- -4.6383 -1.5698 0.0000 H 0 0 0
- 4.7371 1.3657 0.0000 H 0 0 0
- 4.7800 -1.0436 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 6 8 2 0
- 7 10 1 0
- 14 15 1 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18234-46-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.6731 -0.5947 -0.0020 C 0 0 0
- -1.9146 0.2001 -0.0010 C 0 0 0
- 0.5546 0.1077 -0.0009 C 0 0 0
- -1.0457 -1.9363 0.0016 C 0 0 0
- -3.0094 -0.7792 -0.0020 C 0 0 0
- -1.8174 1.5681 0.0005 C 0 0 0
- 0.5287 1.4564 0.0010 C 0 0 0
- 1.8654 -0.6358 -0.0013 C 0 0 0
- -2.4153 -2.0509 0.0047 C 0 0 0
- -4.3860 -0.4974 -0.0015 C 0 0 0
- -0.6152 2.1499 0.0011 O 0 0 0
- 2.9618 0.3162 0.0000 O 0 0 0
- -4.7703 0.6559 -0.0002 O 0 0 0
- 4.2307 -0.1215 0.0000 C 0 0 0
- 5.3686 0.8665 0.0013 C 0 0 0
- 4.4606 -1.3077 -0.0012 O 0 0 0
- -0.3796 -2.7406 0.0000 H 0 0 0
- -2.6819 2.1539 0.0000 H 0 0 0
- 1.4337 1.9775 0.0000 H 0 0 0
- 1.2508 -1.4801 0.0000 H 0 0 0
- 2.6348 -1.3419 0.0000 H 0 0 0
- -2.9388 -2.9545 0.0000 H 0 0 0
- -5.0789 -1.2787 0.0000 H 0 0 0
- 6.0533 0.0780 0.0000 H 0 0 0
- 6.1571 1.5512 0.0000 H 0 0 0
- 4.6839 1.6550 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 2 0
- 5 9 2 0
- 7 11 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4812-40-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.3430 0.0281 -0.0600 N 0 0 0
- -0.7113 0.8821 0.1212 C 0 0 0
- 1.4587 0.6833 0.3269 C 0 0 0
- 0.2733 -1.3427 -0.5720 C 0 0 0
- -0.2040 2.0289 0.6122 C 0 0 0
- -2.1355 0.5994 -0.1672 N 0 3 0
- 1.1239 1.8792 0.7277 N 0 0 0
- 2.8584 0.1255 0.3006 C 0 0 0
- -0.0714 -2.2977 0.5727 C 0 0 0
- -2.6487 -0.4252 0.2456 O 0 0 0
- -2.7941 1.3913 -0.8173 O 0 5 0
- 3.4626 0.4143 -0.9618 O 0 0 0
- -0.1394 -3.6348 0.0733 O 0 0 0
- 0.9690 -2.0192 0.0000 H 0 0 0
- 1.1765 -0.9879 0.0000 H 0 0 0
- -0.6870 2.8705 0.0000 H 0 0 0
- 2.2884 -0.6599 0.0000 H 0 0 0
- 3.4794 -0.6202 0.0000 H 0 0 0
- -0.7671 -1.6212 0.0000 H 0 0 0
- -0.9746 -2.6525 0.0000 H 0 0 0
- 4.3381 0.8328 0.0000 H 0 0 0
- -0.1887 -4.6039 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 5 7 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14698-29-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.4013 0.7493 0.1224 C 0 0 0
- -0.1743 -0.6306 -0.0264 C 0 0 0
- 0.6626 1.6202 0.2374 N 0 0 0
- -1.7073 1.2248 0.1581 C 0 0 0
- -1.2504 -1.5130 -0.1413 C 0 0 0
- 1.2151 -1.1184 -0.0574 C 0 0 0
- 1.9383 1.2138 0.2149 C 0 0 0
- 0.3847 3.0503 0.3911 C 0 0 0
- -2.7694 0.3456 0.0490 C 0 0 0
- -2.5400 -1.0260 -0.1084 C 0 0 0
- 2.2842 -0.1147 0.0725 C 0 0 0
- 1.4692 -2.3036 -0.1850 O 0 0 0
- 0.3323 3.7108 -0.9880 C 0 0 0
- -4.1167 0.5607 0.0553 O 0 0 0
- -3.7460 -1.6608 -0.1974 O 0 0 0
- 3.6963 -0.5206 0.0515 C 0 0 0
- -4.7112 -0.7222 0.3251 C 0 0 0
- 4.0217 -1.8214 -0.0877 O 0 0 0
- 4.5711 0.3166 0.1596 O 0 0 0
- -1.8834 2.2436 0.0000 H 0 0 0
- -1.0828 -2.5332 0.0000 H 0 0 0
- 2.6887 1.9250 0.0000 H 0 0 0
- -0.5648 3.4594 0.0000 H 0 0 0
- -0.4205 2.4019 0.0000 H 0 0 0
- 1.3629 3.7926 0.0000 H 0 0 0
- 0.2505 4.7414 0.0000 H 0 0 0
- -0.6983 3.6290 0.0000 H 0 0 0
- -5.5945 -0.1850 0.0000 H 0 0 0
- -5.3442 -1.5396 0.0000 H 0 0 0
- 4.2726 -2.8244 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 7 11 2 0
- 9 10 2 0
- 15 17 1 0
- 4 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-529-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.8875 0.2917 -0.0001 C 0 0 0
- -2.7048 -0.6040 -0.0011 O 0 0 0
- -0.4500 -0.0238 -0.0013 C 0 0 0
- 0.4956 1.0063 -0.0002 C 0 0 0
- -0.0227 -1.3557 0.0025 C 0 0 0
- 0.0459 2.4446 0.0020 C 0 0 0
- 1.8408 0.7024 -0.0008 C 0 0 0
- 1.3257 -1.6431 0.0018 C 0 0 0
- 2.2556 -0.6177 -0.0024 C 0 0 0
- -2.2018 1.2812 0.0000 H 0 0 0
- -0.7190 -2.1257 0.0000 H 0 0 0
- 1.0368 2.7544 0.0000 H 0 0 0
- -0.2639 3.4355 0.0000 H 0 0 0
- -0.9450 2.1348 0.0000 H 0 0 0
- 2.5441 1.4661 0.0000 H 0 0 0
- 1.6445 -2.6311 0.0000 H 0 0 0
- 3.2696 -0.8403 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 7 2 0
- 8 9 1 0
- 1 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-519-23-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.5204 0.2984 0.0033 C 0 0 0
- 0.2587 -1.0908 0.0008 C 0 0 0
- 1.9900 0.4437 0.0019 C 0 0 0
- -0.5142 1.2145 0.0013 C 0 0 0
- -1.0437 -1.5508 0.0010 C 0 0 0
- 1.4718 -1.7590 -0.0019 N 0 0 0
- 2.5203 -0.8539 -0.0014 C 0 0 0
- 2.8407 1.5460 0.0031 C 0 0 0
- -1.8385 0.7597 -0.0032 C 0 0 0
- -0.2193 2.6924 0.0046 C 0 0 0
- -2.1027 -0.6376 0.0036 C 0 0 0
- -1.3224 -3.0318 -0.0011 C 0 0 0
- 3.9012 -1.0247 -0.0037 C 0 0 0
- 4.2065 1.3570 0.0011 C 0 0 0
- -2.9266 1.6491 -0.0053 C 0 0 0
- -3.4473 -1.0585 0.0039 C 0 0 0
- 4.7329 0.0748 -0.0029 C 0 0 0
- -4.1532 1.1827 -0.0096 N 0 0 0
- -4.4281 -0.1152 0.0065 C 0 0 0
- 1.5805 -2.7973 0.0000 H 0 0 0
- 2.4457 2.5123 0.0000 H 0 0 0
- 0.8044 2.4881 0.0000 H 0 0 0
- -0.0150 3.7161 0.0000 H 0 0 0
- -1.2430 2.8967 0.0000 H 0 0 0
- -2.3483 -2.8387 0.0000 H 0 0 0
- -1.5155 -4.0577 0.0000 H 0 0 0
- -0.2965 -3.2249 0.0000 H 0 0 0
- 4.3078 -1.9862 0.0000 H 0 0 0
- 4.8460 2.1821 0.0000 H 0 0 0
- -2.7593 2.6795 0.0000 H 0 0 0
- -3.6866 -2.0746 0.0000 H 0 0 0
- 5.7682 -0.0595 0.0000 H 0 0 0
- -5.4260 -0.4218 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 16 19 1 0
- 6 7 1 0
- 9 11 1 0
- 14 17 1 0
- 18 19 2 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102234-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 1.6767 -0.1966 -0.0605 C 0 0 0
- 0.3876 -0.8373 -0.5217 C 0 0 0
- 1.3271 1.2180 0.1200 N 0 0 0
- 2.1309 -0.8082 1.2602 C 0 0 0
- 2.7565 -0.3491 -1.1261 C 0 0 0
- -0.5163 0.1633 -0.5662 N 0 0 0
- 0.2045 -2.0043 -0.7943 O 0 0 0
- 0.0238 1.3321 -0.1997 C 0 0 0
- 3.4211 -0.1274 1.7241 C 0 0 0
- 4.0442 0.3298 -0.6526 C 0 0 0
- -1.9150 -0.0079 -0.9666 C 0 0 0
- -0.5929 2.3787 -0.1600 O 0 0 0
- 4.5042 -0.3101 0.6589 C 0 0 0
- -2.7622 -0.3320 0.2655 C 0 0 0
- -4.1648 -0.5037 -0.1360 N 0 0 0
- -4.9192 -0.8110 1.0864 C 0 0 0
- -4.9185 0.5949 0.4828 C 0 0 0
- 1.9651 1.9634 0.0000 H 0 0 0
- 1.3143 -1.3522 0.0000 H 0 0 0
- 2.6325 -1.6515 0.0000 H 0 0 0
- 2.3249 -1.2303 0.0000 H 0 0 0
- 3.4606 -1.0325 0.0000 H 0 0 0
- 3.8682 0.7460 0.0000 H 0 0 0
- 2.7230 0.5621 0.0000 H 0 0 0
- 4.8664 0.8653 0.0000 H 0 0 0
- 3.5471 1.1758 0.0000 H 0 0 0
- -1.6058 0.9233 0.0000 H 0 0 0
- -2.6242 0.6702 0.0000 H 0 0 0
- 4.5986 -1.2868 0.0000 H 0 0 0
- 5.4226 0.0354 0.0000 H 0 0 0
- -3.0714 -1.2632 0.0000 H 0 0 0
- -2.0530 -1.0101 0.0000 H 0 0 0
- -5.8923 -0.9368 0.0000 H 0 0 0
- -4.6691 -1.7598 0.0000 H 0 0 0
- -4.3274 1.3781 0.0000 H 0 0 0
- -5.8488 0.9068 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 9 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 6 8 1 0
- 10 13 1 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-525-64-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.7419 -0.4685 -0.0011 C 0 0 0
- -0.7419 -0.4687 -0.0009 C 0 0 0
- 1.2055 0.8448 -0.0003 C 0 0 0
- 1.6595 -1.5222 0.0034 C 0 0 0
- -1.2058 0.8450 0.0000 C 0 0 0
- -1.6592 -1.5220 -0.0021 C 0 0 0
- 0.0000 1.7527 0.0004 C 0 0 0
- 2.5583 1.1051 -0.0003 C 0 0 0
- 3.0117 -1.2592 0.0026 C 0 0 0
- -2.5581 1.1053 0.0008 C 0 0 0
- -3.0119 -1.2590 -0.0024 C 0 0 0
- 3.4682 0.0539 -0.0011 C 0 0 0
- -3.4683 0.0538 0.0007 C 0 0 0
- 4.8395 0.3169 -0.0012 N 0 0 0
- -4.8395 0.3167 0.0015 N 0 0 0
- 1.3199 -2.5100 0.0000 H 0 0 0
- -1.3196 -2.5098 0.0000 H 0 0 0
- 0.7034 2.5249 0.0000 H 0 0 0
- -0.7033 2.5250 0.0000 H 0 0 0
- 2.9003 2.0921 0.0000 H 0 0 0
- 3.6959 -2.0485 0.0000 H 0 0 0
- -2.9001 2.0923 0.0000 H 0 0 0
- -3.6960 -2.0483 0.0000 H 0 0 0
- 5.5228 -0.4731 0.0000 H 0 0 0
- 5.1820 1.3037 0.0000 H 0 0 0
- -5.1821 1.3035 0.0000 H 0 0 0
- -5.5228 -0.4734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-644-21-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.0350 -0.2027 -0.0703 C 0 0 0
- -1.3391 -0.4398 -0.1511 N 0 0 0
- 0.8140 -0.9228 0.8263 C 0 0 0
- 0.6266 0.7498 -0.8906 C 0 0 0
- -2.2371 0.1000 0.8729 C 0 0 0
- -1.8457 -1.1751 -1.1849 N 0 0 0
- 2.1726 -0.6861 0.9033 C 0 0 0
- 1.9854 0.9814 -0.8084 C 0 0 0
- -2.4386 1.5980 0.6360 C 0 0 0
- 2.7573 0.2663 0.0892 C 0 0 0
- 0.5765 -1.7281 0.0000 H 0 0 0
- 0.1582 1.4465 0.0000 H 0 0 0
- -3.0732 0.1765 0.0000 H 0 0 0
- -2.4982 -0.6979 0.0000 H 0 0 0
- -2.6826 -1.1083 0.0000 H 0 0 0
- -1.4851 -1.9333 0.0000 H 0 0 0
- 2.6441 -1.3807 0.0000 H 0 0 0
- 2.2248 1.7861 0.0000 H 0 0 0
- -1.6065 1.7099 0.0000 H 0 0 0
- -2.5505 2.4301 0.0000 H 0 0 0
- -3.2707 1.4861 0.0000 H 0 0 0
- 3.5891 0.3805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102059-18-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 3.9611 -0.0827 -0.0685 C 0 0 0
- 2.7923 -0.9882 -0.0212 C 0 0 0
- 5.2501 -0.6071 -0.1776 C 0 0 0
- 3.7793 1.3004 -0.0099 C 0 0 0
- 1.4847 -0.4524 0.0897 C 0 0 0
- 2.9535 -2.1938 -0.0775 O 0 0 0
- 6.3358 0.2431 -0.2217 C 0 0 0
- 4.8733 2.1391 -0.0550 C 0 0 0
- 0.4158 -1.2805 0.1330 C 0 0 0
- 6.1491 1.6125 -0.1580 C 0 0 0
- -0.9389 -0.7255 0.2478 C 0 0 0
- -2.0472 -1.5809 0.2928 C 0 0 0
- -1.1265 0.6608 0.3186 C 0 0 0
- -3.3063 -1.0628 0.4001 C 0 0 0
- -2.3993 1.1736 0.4267 C 0 0 0
- -3.4941 0.3149 0.4652 C 0 0 0
- -4.7827 0.8363 0.5747 N 0 0 0
- -5.7208 0.5116 -0.3369 C 0 0 0
- -7.1457 0.9633 -0.1456 C 0 0 0
- -5.4182 -0.1442 -1.3112 O 0 0 0
- 5.3945 -1.6396 0.0000 H 0 0 0
- 2.8162 1.6997 0.0000 H 0 0 0
- 1.3443 0.5807 0.0000 H 0 0 0
- 7.3019 -0.1489 0.0000 H 0 0 0
- 4.7368 3.1727 0.0000 H 0 0 0
- 0.5563 -2.3136 0.0000 H 0 0 0
- 6.9744 2.2496 0.0000 H 0 0 0
- -1.9085 -2.6142 0.0000 H 0 0 0
- -0.3036 1.3010 0.0000 H 0 0 0
- -4.1312 -1.7003 0.0000 H 0 0 0
- -2.5459 2.2058 0.0000 H 0 0 0
- -4.7560 1.8785 0.0000 H 0 0 0
- -6.8307 1.9571 0.0000 H 0 0 0
- -8.1395 1.2783 0.0000 H 0 0 0
- -7.4607 -0.0305 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 8 10 1 0
- 15 16 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-77-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 48 1 V2000
- -0.1181 -0.4291 -0.0667 N 0 0 0
- 0.8715 -1.4541 -0.4246 C 0 0 0
- 0.3191 0.8204 -0.7035 C 0 0 0
- -1.3786 -0.8147 -0.7150 C 0 0 0
- 2.2158 -1.1126 0.2213 C 0 0 0
- 0.2230 1.9674 0.3046 C 0 0 0
- -2.4644 -0.9951 0.3477 C 0 0 0
- 3.2465 -2.1801 -0.1515 C 0 0 0
- 0.5586 3.2877 -0.3917 C 0 0 0
- -3.8048 -1.2744 -0.3350 C 0 0 0
- 4.5908 -1.8387 0.4944 C 0 0 0
- 0.4625 4.4347 0.6163 C 0 0 0
- -4.8906 -1.4548 0.7278 C 0 0 0
- 5.6215 -2.9062 0.1217 C 0 0 0
- 0.7981 5.7551 -0.0799 C 0 0 0
- -6.2311 -1.7340 0.0451 C 0 0 0
- 0.0252 -2.0267 0.0000 H 0 0 0
- 1.2898 -2.3863 0.0000 H 0 0 0
- 1.0872 0.1466 0.0000 H 0 0 0
- 1.2314 1.2805 0.0000 H 0 0 0
- -1.6951 -1.7862 0.0000 H 0 0 0
- -0.6626 -1.5437 0.0000 H 0 0 0
- 3.0621 -0.5400 0.0000 H 0 0 0
- 1.7975 -0.1804 0.0000 H 0 0 0
- -0.5832 2.5952 0.0000 H 0 0 0
- -0.6755 1.4808 0.0000 H 0 0 0
- -2.1185 -0.0336 0.0000 H 0 0 0
- -3.1346 -0.2238 0.0000 H 0 0 0
- 2.4002 -2.7527 0.0000 H 0 0 0
- 3.6648 -3.1123 0.0000 H 0 0 0
- 1.3648 2.6599 0.0000 H 0 0 0
- 1.4571 3.7743 0.0000 H 0 0 0
- -4.1507 -2.2359 0.0000 H 0 0 0
- -3.1346 -2.0457 0.0000 H 0 0 0
- 5.4371 -1.2661 0.0000 H 0 0 0
- 4.1725 -0.9065 0.0000 H 0 0 0
- -0.3437 5.0625 0.0000 H 0 0 0
- -0.4360 3.9481 0.0000 H 0 0 0
- -4.5447 -0.4934 0.0000 H 0 0 0
- -5.5608 -0.6835 0.0000 H 0 0 0
- 4.8864 -3.6159 0.0000 H 0 0 0
- 6.3312 -3.6413 0.0000 H 0 0 0
- 6.3566 -2.1965 0.0000 H 0 0 0
- 1.7884 5.5034 0.0000 H 0 0 0
- 1.0498 6.7454 0.0000 H 0 0 0
- -0.1922 6.0068 0.0000 H 0 0 0
- -6.4394 -0.7337 0.0000 H 0 0 0
- -7.2314 -1.9423 0.0000 H 0 0 0
- -6.0228 -2.7343 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 1 0
- 11 8 1 0
- 12 9 1 0
- 13 10 1 0
- 14 11 1 0
- 15 12 1 0
- 16 13 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 14 43 1 0
- 15 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 16 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89930-59-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 48 1 V2000
- 0.6964 -0.3027 -0.4419 C 0 0 0
- -0.4192 -1.1473 -0.4602 C 0 0 0
- 0.6708 1.1536 -0.5834 C 0 0 0
- 2.0282 -0.7054 -0.2913 C 0 0 0
- -1.7397 -0.4758 -0.6649 C 0 0 2
- -0.1513 -2.4678 -0.2947 C 0 0 0
- -0.6634 1.8443 -0.7380 C 0 0 0
- 1.9360 1.5380 -0.5245 C 0 0 0
- 2.7644 0.4392 -0.3509 N 0 0 0
- 2.2697 -2.0686 -0.1296 C 0 0 0
- -1.7173 0.9407 -0.0875 C 0 0 1
- -2.8577 -1.2514 -0.0292 C 0 0 0
- 1.1621 -2.9060 -0.1295 C 0 0 0
- 4.2245 0.5007 -0.2486 C 0 0 0
- -3.0544 1.5271 -0.2147 N 0 0 0
- -3.8237 -0.6494 0.6044 C 0 0 0
- 4.6264 0.6650 1.2185 C 0 0 0
- -3.9046 0.8398 0.7637 C 0 0 0
- -2.9465 2.9239 0.2272 C 0 0 0
- -4.9168 -1.4930 1.2081 C 0 0 0
- 6.1513 0.7292 1.3254 C 0 0 0
- -2.6584 0.0143 0.0000 H 0 0 0
- -0.9311 -3.1579 0.0000 H 0 0 0
- -0.0705 2.7003 0.0000 H 0 0 0
- -1.4366 2.5417 0.0000 H 0 0 0
- 2.2585 2.5281 0.0000 H 0 0 0
- 3.2390 -2.4491 0.0000 H 0 0 0
- -0.7747 0.4982 0.0000 H 0 0 0
- -2.8321 -2.2924 0.0000 H 0 0 0
- 1.3307 -3.9335 0.0000 H 0 0 0
- 3.8517 -0.4716 0.0000 H 0 0 0
- 4.9688 -0.2275 0.0000 H 0 0 0
- 4.9992 1.6372 0.0000 H 0 0 0
- 3.8821 1.3932 0.0000 H 0 0 0
- -4.3774 1.7676 0.0000 H 0 0 0
- -4.9101 0.5693 0.0000 H 0 0 0
- -1.9083 2.8437 0.0000 H 0 0 0
- -2.8663 3.9621 0.0000 H 0 0 0
- -3.9847 3.0041 0.0000 H 0 0 0
- -5.5530 -0.6687 0.0000 H 0 0 0
- -5.7411 -2.1292 0.0000 H 0 0 0
- -4.2806 -2.3173 0.0000 H 0 0 0
- 6.1951 -0.3112 0.0000 H 0 0 0
- 7.1917 0.7730 0.0000 H 0 0 0
- 6.1075 1.7696 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 16 18 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 21 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116169-87-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.2809 0.0040 -0.0017 C 0 0 0
- -0.9367 -0.6379 -0.0003 N 0 0 0
- 0.0614 1.3170 -0.0010 N 0 0 0
- 1.4697 -0.5850 0.0016 N 0 0 0
- -1.8874 0.3153 0.0012 C 0 0 0
- -1.1568 -2.0863 -0.0005 C 0 0 0
- -1.2389 1.5377 0.0007 C 0 0 0
- 2.4837 0.0898 0.0000 O 0 0 0
- -2.8805 0.1671 0.0000 H 0 0 0
- -2.1495 -1.9355 0.0000 H 0 0 0
- -1.3076 -3.0790 0.0000 H 0 0 0
- -0.1641 -2.2371 0.0000 H 0 0 0
- -1.6824 2.4385 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 7 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2942-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.4857 -0.2796 0.0018 C 0 0 0
- -1.6775 0.4704 0.0020 C 0 0 0
- 0.7396 0.3828 0.0001 C 0 0 0
- -0.8508 -1.6005 -0.0019 N 0 0 0
- -2.7705 -0.4965 0.0034 C 0 0 0
- -1.6156 1.8685 0.0003 C 0 0 0
- 0.7742 1.7483 -0.0015 C 0 0 0
- 2.0011 -0.3911 0.0004 N 0 3 0
- -2.2467 -1.6889 -0.0040 N 0 0 0
- -0.4008 2.4902 -0.0013 C 0 0 0
- 3.0718 0.1895 -0.0011 O 0 0 0
- 1.9687 -1.6087 0.0022 O 0 5 0
- -0.1937 -2.4095 0.0000 H 0 0 0
- -3.7884 -0.2728 0.0000 H 0 0 0
- -2.4925 2.4318 0.0000 H 0 0 0
- 1.6932 2.2398 0.0000 H 0 0 0
- -0.3538 3.5314 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 8 11 2 0
- 8 12 1 0
- 5 9 2 0
- 7 10 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2598-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.5443 -0.1203 -0.2402 C 0 0 0
- -1.7990 0.4321 0.1165 C 0 0 0
- 0.5582 0.7419 -0.4175 C 0 0 0
- -0.4220 -1.4397 -0.4085 N 0 0 0
- -1.9236 1.8209 0.2861 C 0 0 0
- -2.8981 -0.4291 0.2931 C 0 0 0
- 0.3985 2.0869 -0.2434 C 0 0 0
- 1.7723 0.2367 -0.7592 O 0 0 0
- -1.4446 -2.2449 -0.2502 C 0 0 0
- -0.8381 2.6231 0.1064 C 0 0 0
- -2.7028 -1.7688 0.1109 C 0 0 0
- 2.5478 -0.3367 0.1748 C 0 0 0
- 3.9380 -0.7981 -0.1797 C 0 0 0
- 2.1312 -0.4827 1.2995 O 0 0 0
- -2.8469 2.2359 0.0000 H 0 0 0
- -3.8379 -0.0530 0.0000 H 0 0 0
- 1.2105 2.6914 0.0000 H 0 0 0
- -1.2907 -3.2454 0.0000 H 0 0 0
- -0.9529 3.6289 0.0000 H 0 0 0
- -3.4919 -2.4029 0.0000 H 0 0 0
- 3.6191 -1.7589 0.0000 H 0 0 0
- 4.8988 -1.1170 0.0000 H 0 0 0
- 4.2569 0.1627 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 10 1 0
- 9 11 2 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.2081 0.6703 0.0102 C 0 0 0
- -1.4810 -0.7221 -0.0115 C 0 0 0
- 0.1209 1.1159 0.0173 C 0 0 0
- -2.2794 1.5825 0.0302 C 0 0 0
- -0.4183 -1.6406 -0.0257 C 0 0 0
- -2.8167 -1.1606 -0.0179 C 0 0 0
- 1.1520 0.1895 0.0029 C 0 0 0
- -3.5587 1.1194 0.0285 C 0 0 0
- 0.8700 -1.1931 -0.0187 C 0 0 0
- -3.8265 -0.2484 -0.0033 C 0 0 0
- 2.5523 0.6516 0.0102 C 0 0 0
- 1.8914 -2.0867 -0.0321 O 0 0 0
- 2.8288 1.9655 -0.1037 O 0 0 0
- 3.4568 -0.1524 0.1190 O 0 0 0
- 0.3329 2.1395 0.0000 H 0 0 0
- -2.0933 2.6111 0.0000 H 0 0 0
- -0.6149 -2.6673 0.0000 H 0 0 0
- -3.0333 -2.1832 0.0000 H 0 0 0
- -4.3525 1.7995 0.0000 H 0 0 0
- -4.8183 -0.5786 0.0000 H 0 0 0
- 2.6781 -2.7750 0.0000 H 0 0 0
- 3.0441 2.9884 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 2 0
- 7 9 2 0
- 8 10 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94500-54-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.7496 -0.6676 -0.0464 C 0 0 0
- -0.4107 0.0974 -0.2601 C 0 0 0
- 2.0106 -0.0456 -0.0669 C 0 0 0
- 0.6539 -2.1067 0.2032 C 0 0 0
- -1.7055 -0.5803 -0.2319 C 0 0 0
- -0.3012 1.4812 -0.4929 C 0 0 0
- 2.0953 1.3457 -0.3033 C 0 0 0
- 3.1809 -0.8075 0.1480 C 0 0 0
- -0.5884 -2.7180 0.2291 C 0 0 0
- 1.8849 -2.8674 0.4212 C 0 0 0
- -1.7603 -1.9765 0.0070 C 0 0 0
- -2.8928 0.1330 -0.4377 C 0 0 0
- 0.9119 2.0883 -0.5132 C 0 0 0
- -1.5466 2.2984 -0.7218 C 0 0 0
- 3.3563 1.9544 -0.3212 C 0 0 0
- 3.0830 -2.2445 0.3912 C 0 0 0
- 4.4189 -0.1627 0.1222 C 0 0 0
- -3.0163 -2.6151 0.0315 C 0 0 0
- -4.0897 -0.5185 -0.4069 C 0 0 0
- -2.1598 2.9145 0.8578 Cl 0 0 0
- 4.4907 1.1993 -0.1104 C 0 0 0
- -4.1492 -1.8901 -0.1726 C 0 0 0
- -0.6441 -3.7604 0.0000 H 0 0 0
- 1.8462 -3.9106 0.0000 H 0 0 0
- -2.8706 1.1766 0.0000 H 0 0 0
- 0.9622 3.1310 0.0000 H 0 0 0
- -2.5347 1.9617 0.0000 H 0 0 0
- -1.6779 1.2628 0.0000 H 0 0 0
- 3.4280 2.9958 0.0000 H 0 0 0
- 3.9563 -2.8163 0.0000 H 0 0 0
- 5.2968 -0.7275 0.0000 H 0 0 0
- -3.0679 -3.6577 0.0000 H 0 0 0
- -4.9753 0.0341 0.0000 H 0 0 0
- 5.4235 1.6678 0.0000 H 0 0 0
- -5.0756 -2.3713 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 11 18 1 0
- 12 19 2 0
- 14 20 1 0
- 15 21 2 0
- 18 22 2 0
- 7 13 1 0
- 9 11 1 0
- 10 16 2 0
- 17 21 1 0
- 19 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52411-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -3.4149 0.1162 -0.0013 C 0 0 0
- -4.6489 0.7672 -0.0007 C 0 0 0
- -1.9220 1.0521 0.0007 S 0 0 0
- -3.3668 -1.2703 0.0023 C 0 0 0
- -5.8197 0.0247 -0.0018 C 0 0 0
- -4.7047 2.1662 0.0006 N 0 0 0
- -0.7062 -0.2942 -0.0010 C 0 0 0
- -4.5396 -2.0024 0.0064 C 0 0 0
- -5.7624 -1.3570 -0.0035 C 0 0 0
- 0.7062 0.2942 0.0004 C 0 0 0
- 1.9220 -1.0521 -0.0013 S 0 0 0
- 3.4149 -0.1162 0.0007 C 0 0 0
- 4.6489 -0.7672 0.0001 C 0 0 0
- 3.3668 1.2703 -0.0028 C 0 0 0
- 5.8197 -0.0247 0.0017 C 0 0 0
- 4.7047 -2.1662 -0.0018 N 0 0 0
- 4.5395 2.0024 -0.0012 C 0 0 0
- 5.7624 1.3570 0.0040 C 0 0 0
- -2.4483 -1.7591 0.0000 H 0 0 0
- -6.7416 0.5071 0.0000 H 0 0 0
- -3.8250 2.7219 0.0000 H 0 0 0
- -5.6258 2.6501 0.0000 H 0 0 0
- -1.5523 -0.8998 0.0000 H 0 0 0
- -0.2001 -1.2033 0.0000 H 0 0 0
- -4.5019 -3.0422 0.0000 H 0 0 0
- -6.6421 -1.9126 0.0000 H 0 0 0
- 1.5523 0.8998 0.0000 H 0 0 0
- 0.2001 1.2033 0.0000 H 0 0 0
- 2.4483 1.7591 0.0000 H 0 0 0
- 6.7416 -0.5071 0.0000 H 0 0 0
- 3.8250 -2.7219 0.0000 H 0 0 0
- 5.6258 -2.6501 0.0000 H 0 0 0
- 4.5018 3.0422 0.0000 H 0 0 0
- 6.6421 1.9126 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 2 0
- 15 18 2 0
- 8 9 1 0
- 17 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- 2.3964 0.2622 -0.4801 C 0 0 0
- 1.1506 -0.5911 -0.2336 C 0 0 0
- 3.5993 -0.6507 -0.7262 C 0 0 0
- 2.1716 1.1510 -1.7050 C 0 0 0
- -0.0043 0.2855 0.0027 N 0 0 0
- 4.6055 -0.4871 0.4148 C 0 0 0
- 2.5586 2.5922 -1.3674 C 0 0 0
- -1.1603 -0.5918 0.2310 C 0 0 0
- 5.8596 -1.3090 0.1105 C 0 0 0
- -2.4051 0.2607 0.4852 C 0 0 0
- 6.8658 -1.1455 1.2514 C 0 0 0
- -3.6091 -0.6530 0.7230 C 0 0 0
- -2.1793 1.1380 1.7182 C 0 0 0
- -4.6151 -0.4779 -0.4164 C 0 0 0
- -2.4871 2.5957 1.3702 C 0 0 0
- -5.8701 -1.3010 -0.1196 C 0 0 0
- -6.8761 -1.1259 -1.2590 C 0 0 0
- 3.3161 0.8709 0.0000 H 0 0 0
- 0.3938 -1.3934 0.0000 H 0 0 0
- 1.8674 -1.4293 0.0000 H 0 0 0
- 2.7336 -1.3340 0.0000 H 0 0 0
- 4.0436 -1.6601 0.0000 H 0 0 0
- 1.2714 1.7881 0.0000 H 0 0 0
- 1.2622 0.5271 0.0000 H 0 0 0
- -0.0043 1.3884 0.0000 H 0 0 0
- 5.4389 0.2353 0.0000 H 0 0 0
- 4.1381 0.5118 0.0000 H 0 0 0
- 3.6238 2.3062 0.0000 H 0 0 0
- 2.8446 3.6574 0.0000 H 0 0 0
- 1.4934 2.8782 0.0000 H 0 0 0
- -1.8771 -1.4300 0.0000 H 0 0 0
- -0.4035 -1.3941 0.0000 H 0 0 0
- 5.0262 -2.0314 0.0000 H 0 0 0
- 6.3270 -2.3080 0.0000 H 0 0 0
- -3.3235 0.8713 0.0000 H 0 0 0
- 7.0427 -2.2341 0.0000 H 0 0 0
- 7.9544 -0.9686 0.0000 H 0 0 0
- 6.6889 -0.0569 0.0000 H 0 0 0
- -4.0609 -1.6591 0.0000 H 0 0 0
- -2.7459 -1.3395 0.0000 H 0 0 0
- -1.2831 0.4952 0.0000 H 0 0 0
- -1.2558 1.7409 0.0000 H 0 0 0
- -4.1404 0.5176 0.0000 H 0 0 0
- -5.4460 0.2474 0.0000 H 0 0 0
- -1.4080 2.8236 0.0000 H 0 0 0
- -2.7150 3.6748 0.0000 H 0 0 0
- -3.5662 2.3678 0.0000 H 0 0 0
- -6.3448 -2.2965 0.0000 H 0 0 0
- -5.0392 -2.0263 0.0000 H 0 0 0
- -6.6870 -0.0393 0.0000 H 0 0 0
- -7.9627 -0.9368 0.0000 H 0 0 0
- -7.0652 -2.2125 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 11 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 15 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6190-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.6800 -0.6669 -0.0372 C 0 0 0
- 0.0536 -1.7730 0.0204 N 0 0 0
- -0.0853 0.5234 -0.0681 N 0 0 0
- -2.0569 -0.7521 -0.0708 N 0 0 0
- 1.3794 -1.6870 0.0471 C 0 0 0
- 1.2347 0.6057 -0.0414 C 0 0 0
- -2.8650 0.4682 -0.1344 C 0 0 0
- 1.9680 -0.4941 0.0159 N 0 0 0
- 2.1448 -2.8337 0.1074 N 0 0 0
- 2.0066 2.1602 -0.0824 Cl 0 0 0
- -4.1687 0.1782 -0.8809 C 0 0 0
- -3.1846 0.9427 1.2846 C 0 0 0
- -2.5017 -1.6453 0.0000 H 0 0 0
- -2.0352 1.0224 0.0000 H 0 0 0
- 1.7031 -3.7284 0.0000 H 0 0 0
- 3.1405 -2.7689 0.0000 H 0 0 0
- -4.3854 1.1522 0.0000 H 0 0 0
- -5.1427 -0.0385 0.0000 H 0 0 0
- -3.9520 -0.7958 0.0000 H 0 0 0
- -2.3570 1.5001 0.0000 H 0 0 0
- -3.7420 1.7703 0.0000 H 0 0 0
- -4.0122 0.3853 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 6 8 1 0
- 4 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-288-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- 0.7463 -0.9071 0.0000 C 0 0 0
- -0.5976 -0.9932 0.0000 C 0 0 0
- 1.0578 0.4258 0.0000 N 0 0 0
- -1.0932 0.2531 0.0000 N 0 0 0
- -0.1075 1.1083 0.0000 C 0 0 0
- 1.3990 -1.6779 0.0000 H 0 0 0
- -1.1377 -1.8467 0.0000 H 0 0 0
- 1.9858 0.8244 0.0000 H 0 0 0
- -0.2007 2.1140 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 5 2 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-202-33-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -2.0722 -0.0539 -0.0031 C 0 0 0
- -1.3031 -1.2176 -0.0050 C 0 0 0
- -1.5602 1.2479 -0.0018 C 0 0 0
- -3.4412 -0.3643 0.0033 C 0 0 0
- 0.0963 -1.0497 -0.0034 C 0 0 0
- -2.2509 -2.3272 -0.0078 C 0 0 0
- -0.1679 1.4019 -0.0033 C 0 0 0
- -2.4905 2.3044 0.0020 C 0 0 0
- -3.5171 -1.8246 0.0038 C 0 0 0
- -4.3234 0.7100 0.0073 C 0 0 0
- 0.6394 0.2649 -0.0037 C 0 0 0
- 0.9557 -2.1670 -0.0005 C 0 0 0
- -3.8280 2.0114 0.0035 C 0 0 0
- 2.1039 0.4096 -0.0023 C 0 0 0
- 2.2981 -2.0291 0.0033 C 0 0 0
- 2.9063 -0.7513 0.0037 C 0 0 0
- 2.7056 1.6683 -0.0071 C 0 0 0
- 4.3020 -0.6201 0.0087 C 0 0 0
- 4.0791 1.7650 -0.0033 C 0 0 0
- 4.8681 0.6215 0.0056 C 0 0 0
- -1.9983 -3.3462 0.0000 H 0 0 0
- 0.2617 2.3598 0.0000 H 0 0 0
- -2.1636 3.3021 0.0000 H 0 0 0
- -4.4007 -2.3916 0.0000 H 0 0 0
- -5.3595 0.5408 0.0000 H 0 0 0
- 0.5407 -3.1314 0.0000 H 0 0 0
- -4.5134 2.8066 0.0000 H 0 0 0
- 2.9034 -2.8869 0.0000 H 0 0 0
- 2.1149 2.5362 0.0000 H 0 0 0
- 4.9106 -1.4756 0.0000 H 0 0 0
- 4.5341 2.7111 0.0000 H 0 0 0
- 5.9139 0.7139 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 8 13 1 0
- 11 14 1 0
- 12 15 2 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 6 9 2 0
- 7 11 2 0
- 10 13 2 0
- 15 16 1 0
- 19 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35144-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -2.0719 0.2147 0.0751 C 0 0 0
- -3.2183 0.8570 0.5235 C 0 0 0
- -0.8475 0.7402 0.3451 O 0 0 0
- -2.1773 -0.9665 -0.6434 C 0 0 0
- -4.4619 0.3205 0.2482 C 0 0 0
- -3.0897 2.3322 1.4295 Cl 0 0 0
- 0.1167 -0.1371 -0.2403 C 0 0 0
- -3.4225 -1.5023 -0.9120 C 0 0 0
- -4.5643 -0.8558 -0.4737 C 0 0 0
- 1.5029 0.3916 0.0243 C 0 0 0
- -6.1274 -1.5282 -0.8179 Cl 0 0 0
- 2.5785 -0.2768 -0.4370 N 0 0 0
- 1.6506 1.4185 0.6524 O 0 0 0
- 3.9261 0.2372 -0.1797 C 0 0 1
- 4.9104 -0.9312 -0.0974 C 0 0 0
- 4.3340 1.1598 -1.2992 C 0 0 0
- 4.5024 -1.8539 1.0221 C 0 0 0
- 5.1746 2.1780 -1.0573 O 0 0 0
- 3.9045 0.9830 -2.4147 O 0 0 0
- 5.2252 -2.9548 1.2816 O 0 0 0
- 3.5247 -1.6027 1.6860 O 0 0 0
- -1.3790 -1.5445 0.0000 H 0 0 0
- -5.2610 0.8973 0.0000 H 0 0 0
- -0.6518 -0.7541 0.0000 H 0 0 0
- 0.6068 -0.9922 0.0000 H 0 0 0
- -3.4761 -2.4864 0.0000 H 0 0 0
- 2.4842 -1.2578 0.0000 H 0 0 0
- 3.2475 0.9519 0.0000 H 0 0 0
- 5.7413 -1.4612 0.0000 H 0 0 0
- 5.5597 -0.1898 0.0000 H 0 0 0
- 5.8020 2.9380 0.0000 H 0 0 0
- 5.7661 -3.7787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 14 12 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 2 0
- 8 9 2 0
- 4 22 1 0
- 5 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 18 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-144561-63-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.8005 0.1074 0.0503 C 0 0 0
- -0.6720 -0.0664 0.0359 C 0 0 0
- 1.3283 1.3901 0.1983 C 0 0 0
- 1.6524 -0.9804 -0.0746 C 0 0 0
- -1.4802 1.0410 -0.2189 C 0 0 0
- -1.2467 -1.3105 0.2722 C 0 0 0
- 2.6939 1.5631 0.2040 C 0 0 0
- 0.4045 2.5671 0.3566 C 0 0 0
- 3.0280 -0.7960 -0.0633 C 0 0 0
- -2.8527 0.8967 -0.2286 C 0 0 0
- -0.8526 2.3816 -0.4885 C 0 0 0
- -2.6213 -1.4430 0.2573 C 0 0 0
- 3.5475 0.4733 0.0700 C 0 0 0
- 3.8973 -2.0192 -0.1949 C 0 0 0
- -3.4211 -0.3418 0.0088 C 0 0 0
- 5.0300 0.7436 0.0777 C 0 0 0
- 5.3179 -1.6281 -0.5967 C 0 0 0
- -4.8938 -0.4899 -0.0032 N 0 3 0
- 5.8088 -0.5393 0.3599 C 0 0 0
- -5.3981 -1.5788 0.2054 O 0 0 0
- -5.6013 0.4772 -0.2217 O 0 5 0
- 1.2618 -1.9399 0.0000 H 0 0 0
- -0.6472 -2.1554 0.0000 H 0 0 0
- 3.0879 2.5212 0.0000 H 0 0 0
- 1.3174 3.0569 0.0000 H 0 0 0
- 0.0791 3.5507 0.0000 H 0 0 0
- -3.4569 1.7383 0.0000 H 0 0 0
- -0.8026 3.4164 0.0000 H 0 0 0
- -1.8581 2.6309 0.0000 H 0 0 0
- -3.0468 -2.3876 0.0000 H 0 0 0
- 2.9889 -2.5172 0.0000 H 0 0 0
- 4.2864 -2.9793 0.0000 H 0 0 0
- 5.9743 1.1697 0.0000 H 0 0 0
- 4.7218 1.7327 0.0000 H 0 0 0
- 5.3572 -2.6634 0.0000 H 0 0 0
- 6.3347 -1.8266 0.0000 H 0 0 0
- 6.6495 -1.1447 0.0000 H 0 0 0
- 6.5695 0.1639 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 18 20 2 0
- 18 21 1 0
- 8 11 1 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 14 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 19 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-607-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.3805 -0.1355 0.0015 C 0 0 0
- -1.4883 0.7483 0.0014 C 0 0 0
- 0.9200 0.3989 0.0002 C 0 0 0
- -0.5836 -1.4565 -0.0026 N 0 0 0
- -1.2693 2.1354 -0.0006 C 0 0 0
- -2.7893 0.2116 0.0026 C 0 0 0
- 1.0955 1.7482 -0.0011 C 0 0 0
- 2.0938 -0.5030 0.0009 N 0 3 0
- -1.7942 -1.9599 -0.0069 C 0 0 0
- 0.0046 2.6154 -0.0022 C 0 0 0
- -2.9257 -1.1477 0.0040 C 0 0 0
- 3.2194 -0.0376 -0.0002 O 0 0 0
- 1.9340 -1.7105 0.0025 O 0 5 0
- -2.0715 2.7888 0.0000 H 0 0 0
- -3.6193 0.8293 0.0000 H 0 0 0
- 2.0544 2.1367 0.0000 H 0 0 0
- -1.9121 -2.9878 0.0000 H 0 0 0
- 0.1650 3.6375 0.0000 H 0 0 0
- -3.8686 -1.5734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 8 13 1 0
- 7 10 1 0
- 9 11 2 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60-24-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 1.0815 0.5004 0.0000 C 0 0 0
- 0.0503 -0.6298 0.0000 C 0 0 0
- 2.3978 -0.0559 0.0000 O 0 0 0
- -1.6207 0.0764 0.0000 S 0 0 0
- 1.6448 1.5001 0.0000 H 0 0 0
- 0.1519 1.1730 0.0000 H 0 0 0
- -0.5130 -1.6295 0.0000 H 0 0 0
- 0.9799 -1.3024 0.0000 H 0 0 0
- 3.4547 -0.5026 0.0000 H 0 0 0
- -2.6776 0.5231 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.5903 0.0009 0.0049 S 0 0 0
- 0.5906 -1.3116 0.5198 C 0 0 0
- 0.5957 1.2133 -0.7151 C 0 0 0
- -1.4206 -0.5050 -1.0315 O 0 0 0
- -1.1850 0.5683 1.1640 O 0 0 0
- 1.9484 -0.7626 0.0192 C 0 0 0
- 1.9125 0.7743 -0.0133 C 0 0 0
- -0.3056 -1.9467 0.0000 H 0 0 0
- 1.1176 -2.2754 0.0000 H 0 0 0
- 1.0958 2.1913 0.0000 H 0 0 0
- -0.2960 1.8547 0.0000 H 0 0 0
- 2.2350 -1.8230 0.0000 H 0 0 0
- 3.0355 -0.6054 0.0000 H 0 0 0
- 3.0063 0.6737 0.0000 H 0 0 0
- 2.1380 1.8493 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-45-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.1812 0.0000 0.0026 C 0 0 0
- 0.5492 -1.1228 0.0012 N 0 0 0
- 0.5492 1.1228 0.0012 N 0 0 0
- -1.8932 0.0000 -0.0009 S 0 0 0
- 1.9769 -0.7705 -0.0014 C 0 0 0
- 1.9769 0.7705 -0.0014 C 0 0 0
- 0.1441 -2.1486 0.0000 H 0 0 0
- 0.1441 2.1486 0.0000 H 0 0 0
- 2.1540 -1.8591 0.0000 H 0 0 0
- 3.0762 -0.6817 0.0000 H 0 0 0
- 3.0762 0.6817 0.0000 H 0 0 0
- 2.1540 1.8591 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51630-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- 3.6267 -0.7306 0.3206 C 0 0 0
- 2.2480 -1.2744 0.5934 C 0 0 0
- 4.4157 -0.2908 1.3673 C 0 0 0
- 4.1043 -0.6772 -0.9754 C 0 0 0
- 1.2382 -0.5207 -0.2332 C 0 0 0
- 2.2030 -2.7586 0.2248 C 0 0 0
- 5.6803 0.2075 1.1178 C 0 0 0
- 5.3691 -0.1790 -1.2262 C 0 0 0
- 0.2820 0.2025 0.3706 O 0 0 0
- 1.2892 -0.5674 -1.4395 O 0 0 0
- 3.1213 -3.5450 1.1624 C 0 0 0
- 0.7695 -3.2753 0.3634 C 0 0 0
- 6.1569 0.2662 -0.1799 C 0 0 0
- -0.6186 1.0207 -0.4217 C 0 0 0
- 7.7454 0.8920 -0.4941 Cl 0 0 0
- -1.9101 1.2179 0.3296 C 0 0 0
- 0.0047 2.3294 -0.6779 C 0 0 0
- -3.1099 1.2419 -0.3549 C 0 0 0
- -1.8936 1.3689 1.7037 C 0 0 0
- 0.4857 3.3393 -0.8756 N 0 0 0
- -4.2985 1.4235 0.3373 C 0 0 0
- -3.0769 1.5500 2.3961 C 0 0 0
- -5.4800 1.4471 -0.3335 O 0 0 0
- -4.2787 1.5805 1.7160 C 0 0 0
- -5.9010 0.1589 -0.4330 C 0 0 0
- -7.0132 -0.1512 -1.2020 C 0 0 0
- -5.2157 -0.8495 0.2299 C 0 0 0
- -7.4392 -1.4617 -1.3015 C 0 0 0
- -5.6456 -2.1579 0.1272 C 0 0 0
- -6.7580 -2.4636 -0.6354 C 0 0 0
- 1.4336 -1.6674 0.0000 H 0 0 0
- 4.0289 0.5266 0.0000 H 0 0 0
- 4.3221 -1.5548 0.0000 H 0 0 0
- 3.0301 -2.3931 0.0000 H 0 0 0
- 5.4575 1.0839 0.0000 H 0 0 0
- 5.7582 -0.9953 0.0000 H 0 0 0
- 2.5331 -4.2318 0.0000 H 0 0 0
- 3.8081 -4.1332 0.0000 H 0 0 0
- 3.7095 -2.8582 0.0000 H 0 0 0
- 0.4629 -2.4246 0.0000 H 0 0 0
- -0.0812 -3.5819 0.0000 H 0 0 0
- 1.0761 -4.1260 0.0000 H 0 0 0
- -1.0075 0.2043 0.0000 H 0 0 0
- -3.1874 0.3410 0.0000 H 0 0 0
- -1.1765 1.9198 0.0000 H 0 0 0
- -2.9969 2.4507 0.0000 H 0 0 0
- -4.8681 2.2663 0.0000 H 0 0 0
- -7.6389 0.5016 0.0000 H 0 0 0
- -4.3202 -0.7236 0.0000 H 0 0 0
- -8.3344 -1.5891 0.0000 H 0 0 0
- -5.0221 -2.8129 0.0000 H 0 0 0
- -7.0704 -3.3122 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 3 0
- 18 21 2 0
- 19 22 1 0
- 21 23 1 0
- 21 24 1 0
- 23 25 1 0
- 25 26 2 0
- 25 27 1 0
- 26 28 1 0
- 27 29 2 0
- 28 30 2 0
- 8 13 2 0
- 22 24 2 0
- 29 30 1 0
- 2 31 1 0
- 3 32 1 0
- 4 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 11 37 1 0
- 11 38 1 0
- 11 39 1 0
- 12 40 1 0
- 12 41 1 0
- 12 42 1 0
- 14 43 1 0
- 18 44 1 0
- 19 45 1 0
- 22 46 1 0
- 24 47 1 0
- 26 48 1 0
- 27 49 1 0
- 28 50 1 0
- 29 51 1 0
- 30 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13952-84-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.4509 0.0404 -0.3534 C 0 0 0
- -0.7551 0.7427 0.2737 C 0 0 0
- 1.7313 0.7841 0.0320 C 0 0 0
- 0.5216 -1.3426 0.1367 N 0 0 0
- -2.0355 -0.0010 -0.1117 C 0 0 0
- -0.4702 -0.5209 0.0000 H 0 0 0
- -0.0604 1.5678 0.0000 H 0 0 0
- -1.4488 1.5686 0.0000 H 0 0 0
- 2.2730 -0.1486 0.0000 H 0 0 0
- 2.6640 1.3258 0.0000 H 0 0 0
- 1.1896 1.7168 0.0000 H 0 0 0
- -0.3838 -1.9289 0.0000 H 0 0 0
- 1.4820 -1.8335 0.0000 H 0 0 0
- -2.5772 0.9317 0.0000 H 0 0 0
- -2.9682 -0.5427 0.0000 H 0 0 0
- -1.4938 -0.9337 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17804-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- 0.1332 -0.5988 0.3971 N 0 0 0
- 0.6140 -1.8727 0.1218 C 0 0 0
- 1.1428 0.2842 0.1073 C 0 0 0
- -1.0952 -0.2883 0.8565 C 0 0 0
- 1.9304 -1.7020 -0.3355 C 0 0 0
- 0.0718 -3.1446 0.2132 C 0 0 0
- 2.1918 -0.3675 -0.3209 N 0 0 0
- 1.0622 1.6581 0.2467 N 0 0 0
- -2.0968 -0.0421 -0.0111 N 0 0 0
- -1.2997 -0.2302 2.0530 O 0 0 0
- 2.6836 -2.8221 -0.6953 C 0 0 0
- 0.8285 -4.2415 -0.1461 C 0 0 0
- 2.1204 2.4307 -0.0693 C 0 0 0
- -3.4320 0.2954 0.4883 C 0 0 0
- 2.1293 -4.0790 -0.5984 C 0 0 0
- 2.0419 3.7678 0.0664 O 0 0 0
- 3.1450 1.9205 -0.4766 O 0 0 0
- -4.3756 0.5253 -0.6939 C 0 0 0
- 3.1819 4.6002 -0.2740 C 0 0 0
- -5.7701 0.8778 -0.1724 C 0 0 0
- -6.7137 1.1076 -1.3546 C 0 0 0
- -0.9251 -3.2451 0.0000 H 0 0 0
- 0.1560 2.0856 0.0000 H 0 0 0
- -2.3392 -1.0143 0.0000 H 0 0 0
- 3.6817 -2.7337 0.0000 H 0 0 0
- 0.4187 -5.1559 0.0000 H 0 0 0
- -2.7357 1.0159 0.0000 H 0 0 0
- -3.7106 1.2579 0.0000 H 0 0 0
- 2.7276 -4.8828 0.0000 H 0 0 0
- -5.0719 -0.1952 0.0000 H 0 0 0
- -4.0970 -0.4372 0.0000 H 0 0 0
- 3.7728 3.7910 0.0000 H 0 0 0
- 3.9911 5.1911 0.0000 H 0 0 0
- 2.5910 5.4094 0.0000 H 0 0 0
- -5.0738 1.5983 0.0000 H 0 0 0
- -6.0488 1.8403 0.0000 H 0 0 0
- -6.4766 2.0811 0.0000 H 0 0 0
- -7.6872 1.3447 0.0000 H 0 0 0
- -6.9508 0.1341 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 16 19 1 0
- 18 20 1 0
- 20 21 1 0
- 5 7 1 0
- 12 15 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16683-64-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 2.1814 -0.1803 0.0029 C 0 0 0
- 1.1220 -1.0759 0.0044 C 0 0 0
- 2.0836 1.2597 0.0020 C 0 0 0
- 3.4426 -0.8972 -0.0041 C 0 0 0
- -0.2107 -0.4703 0.0036 C 0 0 0
- 1.6849 -2.3696 0.0055 C 0 0 0
- 0.8138 1.8311 0.0027 C 0 0 0
- 3.3046 1.9682 0.0001 C 0 0 0
- 3.0488 -2.3022 -0.0056 C 0 0 0
- 4.5865 -0.1136 -0.0071 C 0 0 0
- -0.3236 0.9978 0.0027 C 0 0 0
- -1.3497 -1.2648 0.0033 C 0 0 0
- 4.4822 1.2754 -0.0016 C 0 0 0
- -1.5956 1.5901 0.0011 C 0 0 0
- -2.6111 -0.6702 0.0012 C 0 0 0
- -2.7340 0.7917 -0.0002 C 0 0 0
- -3.7862 -1.4501 -0.0003 C 0 0 0
- -4.0260 1.3629 -0.0029 C 0 0 0
- -4.9977 -0.8366 -0.0040 C 0 0 0
- -5.1158 0.5539 -0.0038 C 0 0 0
- 1.1314 -3.2613 0.0000 H 0 0 0
- 0.7041 2.8748 0.0000 H 0 0 0
- 3.3078 3.0177 0.0000 H 0 0 0
- 3.7034 -3.1226 0.0000 H 0 0 0
- 5.5326 -0.5678 0.0000 H 0 0 0
- -1.2613 -2.3106 0.0000 H 0 0 0
- 5.3731 1.8302 0.0000 H 0 0 0
- -1.6877 2.6355 0.0000 H 0 0 0
- -3.7247 -2.4978 0.0000 H 0 0 0
- -4.1424 2.4059 0.0000 H 0 0 0
- -5.8678 -1.4234 0.0000 H 0 0 0
- -6.0725 0.9854 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 8 13 2 0
- 11 14 1 0
- 12 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 6 9 2 0
- 7 11 2 0
- 10 13 1 0
- 15 16 1 0
- 19 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-84-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.0578 0.7120 0.0261 C 0 0 0
- -0.0700 1.4682 0.0767 O 0 0 0
- 1.5841 0.3297 -1.1998 C 0 0 0
- 1.6885 0.3255 1.1998 C 0 0 0
- -1.1214 0.6080 0.0439 C 0 0 0
- 2.7305 -0.4390 -1.2484 C 0 0 0
- 2.8351 -0.4435 1.1456 C 0 0 0
- -2.4153 1.0960 -0.0682 C 0 0 0
- -0.9025 -0.7605 0.1167 C 0 0 0
- 3.3540 -0.8277 -0.0768 C 0 0 0
- -3.4825 0.2193 -0.1013 C 0 0 0
- -1.9729 -1.6326 0.0832 C 0 0 0
- -3.2620 -1.1433 -0.0228 C 0 0 0
- 0.9918 -0.5187 0.0000 H 0 0 0
- 2.2471 1.1964 0.0000 H 0 0 0
- 2.1686 -1.3078 0.0000 H 0 0 0
- 3.4313 0.4021 0.0000 H 0 0 0
- -2.5837 2.1169 0.0000 H 0 0 0
- 0.0643 -1.1291 0.0000 H 0 0 0
- 4.2095 -1.4097 0.0000 H 0 0 0
- -4.4504 0.5851 0.0000 H 0 0 0
- -1.8076 -2.6540 0.0000 H 0 0 0
- -4.0638 -1.7973 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 11 13 2 0
- 7 10 2 0
- 12 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-789-47-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.0436 0.5821 0.0022 C 0 0 0
- -0.7732 -0.5643 0.0011 C 0 0 0
- 1.4971 0.4053 0.0015 C 0 0 0
- -0.5345 1.8638 -0.0019 C 0 0 0
- -2.2265 -0.3865 0.0012 C 0 0 0
- -0.1952 -1.8459 -0.0005 C 0 0 0
- 2.0228 -0.9080 0.0000 C 0 0 0
- 2.3634 1.5030 0.0018 C 0 0 0
- -1.8765 2.0331 -0.0072 C 0 0 0
- -2.7523 0.9264 0.0026 C 0 0 0
- -3.0961 -1.4809 -0.0010 C 0 0 0
- 1.1468 -2.0150 -0.0014 C 0 0 0
- 3.4135 -1.0892 -0.0008 C 0 0 0
- 3.7118 1.3052 0.0007 C 0 0 0
- -4.1443 1.1054 0.0026 C 0 0 0
- -4.4447 -1.2721 -0.0019 C 0 0 0
- 4.2439 0.0126 0.0000 C 0 0 0
- -4.9657 0.0177 0.0013 C 0 0 0
- 5.6288 -0.1651 -0.0003 N 0 0 0
- 0.0896 2.7086 0.0000 H 0 0 0
- -0.8193 -2.6907 0.0000 H 0 0 0
- 1.9753 2.4790 0.0000 H 0 0 0
- -2.2738 3.0054 0.0000 H 0 0 0
- -2.7135 -2.4590 0.0000 H 0 0 0
- 1.5442 -2.9872 0.0000 H 0 0 0
- 3.8203 -2.0575 0.0000 H 0 0 0
- 4.3582 2.1330 0.0000 H 0 0 0
- -4.5514 2.0736 0.0000 H 0 0 0
- -5.0971 -2.0952 0.0000 H 0 0 0
- -6.0069 0.1554 0.0000 H 0 0 0
- 6.0339 -1.1341 0.0000 H 0 0 0
- 6.2654 0.6703 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 17 19 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134998-76-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 0.3033 -0.1243 0.0038 C 0 0 0
- -1.0333 0.3127 -0.0024 C 0 0 0
- 1.3504 0.8195 -0.0067 C 0 0 0
- 0.5892 -1.5077 0.0147 C 0 0 0
- -2.0746 -0.6378 0.0076 C 0 0 0
- -1.3193 1.6985 -0.0190 C 0 0 0
- 2.6843 0.3722 -0.0020 C 0 0 0
- 1.0386 2.1986 -0.0223 C 0 0 0
- 1.9265 -1.9132 0.0211 C 0 0 0
- -0.4766 -2.4335 0.0199 C 0 0 0
- -3.4598 -0.1481 0.0005 C 0 0 0
- -1.7691 -2.0055 0.0234 C 0 0 0
- -0.2523 2.6201 -0.0283 C 0 0 0
- -2.6588 2.1326 -0.0270 C 0 0 0
- 2.9553 -0.9785 0.0171 C 0 0 0
- 3.7681 1.4185 -0.0267 C 0 0 0
- -3.6876 1.2513 -0.0166 C 0 0 0
- -4.4766 -0.9978 0.0094 N 0 0 0
- 4.3646 -1.5161 0.0336 C 0 0 0
- 5.1044 0.8219 0.4093 C 0 0 0
- -5.6204 -0.5790 0.0033 O 0 0 0
- 5.3564 -0.4460 -0.4153 C 0 0 0
- 1.8198 2.9101 0.0000 H 0 0 0
- 2.1587 -2.9440 0.0000 H 0 0 0
- -0.2690 -3.4696 0.0000 H 0 0 0
- -2.5527 -2.7144 0.0000 H 0 0 0
- -0.4606 3.6560 0.0000 H 0 0 0
- -2.8661 3.1687 0.0000 H 0 0 0
- 4.3182 2.3206 0.0000 H 0 0 0
- 2.9434 2.0791 0.0000 H 0 0 0
- -4.6800 1.6142 0.0000 H 0 0 0
- 3.8654 -2.4474 0.0000 H 0 0 0
- 5.2247 -2.1299 0.0000 H 0 0 0
- 6.1610 0.8122 0.0000 H 0 0 0
- 5.3294 1.8543 0.0000 H 0 0 0
- 5.9654 -1.3095 0.0000 H 0 0 0
- 6.3275 -0.0294 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 2 0
- 19 22 1 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2303-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 2.8262 -0.1608 0.1433 N 0 0 0
- 1.8056 0.6611 -0.1719 C 0 0 0
- 4.1983 0.3517 0.1692 C 0 0 0
- 2.5627 -1.5653 0.4660 C 0 0 0
- 0.1429 0.0956 -0.0301 S 0 0 0
- 2.0324 1.7931 -0.5543 O 0 0 0
- 4.6122 0.7726 -1.2423 C 0 0 0
- 4.2737 1.5603 1.1045 C 0 0 0
- 3.2431 -2.4628 -0.5695 C 0 0 0
- 3.1159 -1.8815 1.8570 C 0 0 0
- -1.2277 1.1994 -0.4535 C 0 0 0
- -2.5351 0.4789 -0.2471 C 0 0 0
- -3.4164 0.9491 0.6049 C 0 0 0
- -2.8758 -0.9729 -1.1359 Cl 0 0 0
- -4.9225 0.1192 0.8427 Cl 0 0 0
- 4.7575 -0.5100 0.0000 H 0 0 0
- 1.5629 -1.8011 0.0000 H 0 0 0
- 5.3447 0.0523 0.0000 H 0 0 0
- 5.3325 1.5051 0.0000 H 0 0 0
- 3.8797 1.4929 0.0000 H 0 0 0
- 5.2990 1.4963 0.0000 H 0 0 0
- 4.3377 2.5856 0.0000 H 0 0 0
- 3.2484 1.6243 0.0000 H 0 0 0
- 2.4245 -3.0834 0.0000 H 0 0 0
- 3.8637 -3.2814 0.0000 H 0 0 0
- 4.0617 -1.8422 0.0000 H 0 0 0
- 2.6061 -2.7734 0.0000 H 0 0 0
- 4.0078 -2.3913 0.0000 H 0 0 0
- 3.6257 -0.9896 0.0000 H 0 0 0
- -0.4853 1.9094 0.0000 H 0 0 0
- -1.8357 2.0274 0.0000 H 0 0 0
- -3.4233 1.9764 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 3 16 1 0
- 4 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 13 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27729-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.0706 -1.1959 -0.7118 C 0 0 1
- -0.7313 -1.2306 0.5908 C 0 0 2
- 1.4507 -0.6562 -0.4378 C 0 0 0
- -0.1269 -2.3992 0.0332 O 0 0 0
- -2.2046 -1.2272 0.2739 C 0 0 0
- 2.4756 -1.5211 -0.1001 C 0 0 0
- 1.6914 0.7020 -0.5300 C 0 0 0
- -2.9278 0.0486 0.1507 C 0 0 0
- -2.7941 -2.2756 0.1204 O 0 0 0
- 3.7415 -1.0290 0.1511 C 0 0 0
- 2.9559 1.1992 -0.2797 C 0 0 0
- -4.2953 0.0559 -0.1433 C 0 0 0
- -2.2527 1.2596 0.3326 C 0 0 0
- 3.9844 0.3344 0.0643 C 0 0 0
- -4.9657 1.2552 -0.2572 C 0 0 0
- -2.9375 2.4509 0.2154 C 0 0 0
- 5.2291 0.8210 0.3110 O 0 0 0
- -4.2891 2.4499 -0.0813 C 0 0 0
- 5.1591 2.2384 0.1434 C 0 0 0
- -0.1412 -0.1924 0.0000 H 0 0 0
- -0.7523 -0.2052 0.0000 H 0 0 0
- 2.3070 -2.5328 0.0000 H 0 0 0
- 0.8976 1.3515 0.0000 H 0 0 0
- 4.5337 -1.6804 0.0000 H 0 0 0
- 3.1216 2.2114 0.0000 H 0 0 0
- -4.8166 -0.8274 0.0000 H 0 0 0
- -1.2271 1.2663 0.0000 H 0 0 0
- -5.9913 1.2581 0.0000 H 0 0 0
- -2.4242 3.3388 0.0000 H 0 0 0
- -4.8059 3.3358 0.0000 H 0 0 0
- 6.1835 2.2890 0.0000 H 0 0 0
- 5.1085 3.2628 0.0000 H 0 0 0
- 4.1347 2.1878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 17 19 1 0
- 2 4 1 0
- 11 14 2 0
- 16 18 2 0
- 1 20 1 0
- 2 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-34866-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- -1.5007 0.0135 -0.7214 C 0 0 0
- -2.3862 0.4877 0.2279 C 0 0 0
- -0.1291 -0.4510 -0.3042 C 0 0 0
- -1.8722 -0.0411 -2.0521 C 0 0 0
- -3.6490 0.9156 -0.1545 C 0 0 0
- -0.1754 -1.9437 0.0280 C 0 0 0
- 0.7941 -0.2291 -1.3721 O 0 0 0
- -3.1312 0.3783 -2.4399 C 0 0 0
- -4.0206 0.8657 -1.4960 C 0 0 0
- -4.5490 1.3965 0.8065 N 0 0 0
- 1.1616 -2.3965 0.4346 N 0 0 0
- -5.2574 1.2834 -1.8766 O 0 0 0
- -4.1829 2.3977 1.6312 C 0 0 0
- 1.0480 -3.8294 0.7378 C 0 0 0
- -4.9997 2.7778 2.6336 N 0 0 0
- -3.1158 2.9580 1.4708 O 0 0 0
- 2.4127 -4.3689 1.1706 C 0 0 0
- 0.0373 -4.0328 1.8683 C 0 0 0
- 0.5756 -4.5788 -0.5096 C 0 0 0
- 12.4858 2.2928 -0.0466 Cl 0 0 0
- -2.0681 1.2212 0.0000 H 0 0 0
- -0.0929 0.3477 0.0000 H 0 0 0
- -1.9423 -0.8375 0.0000 H 0 0 0
- -0.9682 -1.8404 0.0000 H 0 0 0
- -0.3561 -2.7225 0.0000 H 0 0 0
- 1.5715 -0.0422 0.0000 H 0 0 0
- -3.4510 -0.3545 0.0000 H 0 0 0
- -5.2959 1.1113 0.0000 H 0 0 0
- 1.8292 -1.9566 0.0000 H 0 0 0
- -6.0149 1.5392 0.0000 H 0 0 0
- -5.0700 3.5742 0.0000 H 0 0 0
- -5.6543 2.3187 0.0000 H 0 0 0
- 2.1188 -5.1124 0.0000 H 0 0 0
- 3.1562 -4.6628 0.0000 H 0 0 0
- 2.7066 -3.6254 0.0000 H 0 0 0
- -0.1204 -3.2490 0.0000 H 0 0 0
- -0.7465 -4.1905 0.0000 H 0 0 0
- 0.1950 -4.8166 0.0000 H 0 0 0
- -0.1008 -4.1524 0.0000 H 0 0 0
- 0.1492 -5.2552 0.0000 H 0 0 0
- 1.2520 -5.0052 0.0000 H 0 0 0
- 13.2853 2.2928 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 14 18 1 0
- 14 19 1 0
- 8 9 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 15 31 1 0
- 15 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-141-91-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.4110 0.9383 -0.6444 O 0 0 0
- -0.9920 0.8777 -0.3882 C 0 0 0
- 1.0485 0.0716 0.2937 C 0 0 0
- -1.5018 -0.5419 -0.6399 C 0 0 0
- -1.2620 1.2660 1.0668 C 0 0 0
- 0.5910 -1.3687 0.0595 C 0 0 0
- 2.5660 0.1594 0.1194 C 0 0 0
- -0.8549 -1.4695 0.2975 N 0 0 0
- -2.0529 0.7375 0.0000 H 0 0 0
- -0.0074 -0.1024 0.0000 H 0 0 0
- -2.4139 0.0179 0.0000 H 0 0 0
- -2.2360 -1.3204 0.0000 H 0 0 0
- -0.3834 1.8769 0.0000 H 0 0 0
- -1.8729 2.1446 0.0000 H 0 0 0
- -2.1406 0.6551 0.0000 H 0 0 0
- 0.5310 -2.4372 0.0000 H 0 0 0
- 1.6435 -1.5622 0.0000 H 0 0 0
- 2.6278 -0.9090 0.0000 H 0 0 0
- 3.6344 0.2212 0.0000 H 0 0 0
- 2.5042 1.2278 0.0000 H 0 0 0
- -1.3166 -2.4349 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7364-09-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.0259 0.1625 -0.0019 C 0 0 0
- -1.3559 0.2802 -0.0006 C 0 0 0
- 0.8148 1.3606 0.0001 C 0 0 0
- 0.7062 -1.4116 0.0012 Cl 0 0 0
- -2.2216 -0.9534 -0.0026 C 0 0 0
- -1.9914 1.6467 0.0030 C 0 0 0
- 2.0234 1.2536 -0.0012 O 0 0 0
- 0.3450 2.3707 0.0000 H 0 0 0
- -3.1335 -0.3135 0.0000 H 0 0 0
- -2.8615 -1.8653 0.0000 H 0 0 0
- -1.3097 -1.5933 0.0000 H 0 0 0
- -0.9813 2.1165 0.0000 H 0 0 0
- -2.4612 2.6568 0.0000 H 0 0 0
- -3.0015 1.1769 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22316-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.0022 0.4945 0.1378 C 0 0 0
- 0.4349 -0.8063 0.3743 N 0 0 0
- 0.8256 1.5184 -0.2931 C 0 0 0
- -1.3586 0.7527 0.3496 C 0 0 0
- -0.3964 -1.8483 -0.0538 C 0 0 0
- 1.5749 -1.1442 0.9720 C 0 0 0
- 2.1867 1.3613 -0.5388 N 0 0 0
- 0.2899 2.7914 -0.5021 C 0 0 0
- -1.8773 2.0129 0.1394 C 0 0 0
- -0.4409 -2.1956 -1.3975 C 0 0 0
- -1.1740 -2.5408 0.8654 C 0 0 0
- 2.5599 -0.0974 1.4244 C 0 0 0
- 1.8256 -2.3165 1.1563 O 0 0 0
- 3.0339 0.6610 0.2112 C 0 0 0
- 2.7336 2.0244 -1.7252 C 0 0 0
- -1.0484 3.0371 -0.2849 C 0 0 0
- -3.5658 2.3145 0.4069 Cl 0 0 0
- -1.2617 -3.2245 -1.8167 C 0 0 0
- -1.9925 -3.5684 0.4400 C 0 0 0
- 4.2092 0.6321 -0.0874 O 0 0 0
- -2.0385 -3.9083 -0.8998 C 0 0 0
- -1.9825 -0.0122 0.0000 H 0 0 0
- 0.9083 3.5608 0.0000 H 0 0 0
- 0.4682 -2.5804 0.0000 H 0 0 0
- -1.8909 -1.8622 0.0000 H 0 0 0
- 2.9055 -1.0221 0.0000 H 0 0 0
- 3.5421 -0.1964 0.0000 H 0 0 0
- 3.4951 1.3963 0.0000 H 0 0 0
- 3.3617 2.7859 0.0000 H 0 0 0
- 1.9721 2.6525 0.0000 H 0 0 0
- -1.3910 3.9629 0.0000 H 0 0 0
- -0.5470 -3.9054 0.0000 H 0 0 0
- -2.9003 -3.1808 0.0000 H 0 0 0
- -2.5046 -4.7785 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 14 20 2 0
- 18 21 2 0
- 9 16 1 0
- 12 14 1 0
- 19 21 1 0
- 4 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.0096 -0.7019 -0.1215 N 0 0 0
- -1.0269 -0.4407 0.8861 C 0 0 0
- 1.2969 -0.6983 0.5864 C 0 0 0
- -0.2043 -2.0737 -0.6014 C 0 0 0
- -1.7078 0.8954 0.5828 C 0 0 0
- 2.3181 0.1100 -0.2165 C 0 0 0
- -2.4671 0.7804 -0.6223 O 0 0 0
- 1.9513 1.4911 -0.2002 O 0 0 0
- -1.9775 -0.6652 0.0000 H 0 0 0
- -1.0342 -1.4175 0.0000 H 0 0 0
- 1.0096 -1.6319 0.0000 H 0 0 0
- 2.1031 -1.2498 0.0000 H 0 0 0
- -1.1694 -1.9232 0.0000 H 0 0 0
- -0.3548 -3.0388 0.0000 H 0 0 0
- 0.7608 -2.2242 0.0000 H 0 0 0
- -0.7951 1.2434 0.0000 H 0 0 0
- -1.9564 1.8400 0.0000 H 0 0 0
- 2.8143 -0.7313 0.0000 H 0 0 0
- 3.2192 0.4870 0.0000 H 0 0 0
- -3.4329 0.6341 0.0000 H 0 0 0
- 1.7006 2.4352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2835-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.0341 -0.7046 -0.0014 C 0 0 0
- -1.2693 -0.0740 -0.0006 C 0 0 0
- 1.1328 0.0571 -0.0008 C 0 0 0
- 0.0402 -2.1022 0.0031 N 0 0 0
- -1.3401 1.3068 0.0007 C 0 0 0
- -2.5340 -0.8935 -0.0017 C 0 0 0
- 1.0533 1.4395 0.0005 C 0 0 0
- 2.3470 -0.5558 -0.0011 O 0 0 0
- -0.1822 2.0615 0.0012 C 0 0 0
- -0.8303 -2.6685 0.0000 H 0 0 0
- 0.9659 -2.5730 0.0000 H 0 0 0
- -2.2655 1.7780 0.0000 H 0 0 0
- -3.0987 -0.0220 0.0000 H 0 0 0
- -3.4055 -1.4582 0.0000 H 0 0 0
- -1.9693 -1.7650 0.0000 H 0 0 0
- 1.9215 2.0094 0.0000 H 0 0 0
- 3.2741 -1.0238 0.0000 H 0 0 0
- -0.2399 3.0984 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101688-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 2.5462 0.0000 0.0408 C 0 0 0
- 1.0900 0.0229 -0.0233 C 0 0 0
- 3.1740 -0.4084 1.2207 C 0 0 0
- 3.6226 0.3279 -0.8917 C 0 0 0
- 0.3564 -0.3727 1.1222 C 0 0 0
- 0.4101 0.4224 -1.1792 C 0 0 0
- 4.5045 -0.3364 1.0104 O 0 0 0
- 2.4014 -0.7889 2.3240 C 0 0 0
- 4.7704 0.0958 -0.2333 C 0 0 0
- -1.0460 -0.3570 1.0792 C 0 0 0
- 1.0465 -0.7748 2.2827 C 0 0 0
- -0.9518 0.4297 -1.1993 C 0 0 0
- 6.1267 0.2919 -0.7937 N 0 3 0
- -1.6865 0.0422 -0.0745 C 0 0 0
- 7.1075 0.0519 -0.1126 O 0 0 0
- 6.2617 0.6931 -1.9357 O 0 5 0
- -3.0828 0.0589 -0.1205 N 0 0 0
- -3.8080 -1.0432 -0.7574 C 0 0 0
- -3.8217 1.1786 0.4682 C 0 0 0
- -3.7468 -2.2803 0.1408 C 0 0 0
- -3.8822 2.3330 -0.5342 C 0 0 0
- -4.6392 -3.6368 -0.6431 Cl 0 0 0
- -4.7916 3.7110 0.1903 Cl 0 0 0
- 3.5804 1.2052 0.0000 H 0 0 0
- 0.6429 1.2693 0.0000 H 0 0 0
- 2.5962 -1.6453 0.0000 H 0 0 0
- -1.2923 -1.2000 0.0000 H 0 0 0
- 0.8131 -1.6215 0.0000 H 0 0 0
- -1.1606 1.2828 0.0000 H 0 0 0
- -4.3573 -0.3579 0.0000 H 0 0 0
- -4.6292 -1.3547 0.0000 H 0 0 0
- -4.6622 1.4333 0.0000 H 0 0 0
- -4.3468 0.4746 0.0000 H 0 0 0
- -3.1975 -2.9656 0.0000 H 0 0 0
- -2.9256 -1.9688 0.0000 H 0 0 0
- -3.0417 2.0783 0.0000 H 0 0 0
- -3.3571 3.0370 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 7 9 1 0
- 8 11 2 0
- 12 14 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-609-31-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.0690 0.6051 0.2891 C 0 0 0
- 0.1017 -0.8238 -0.0324 N 0 3 0
- 1.2876 1.2946 -0.3277 C 0 0 0
- -1.2094 1.2262 -0.2774 C 0 0 0
- 0.1294 -1.6490 0.8630 O 0 0 0
- 0.1012 -1.1866 -1.1951 O 0 5 0
- 2.5543 0.8370 0.3982 C 0 0 0
- -2.3475 0.5822 0.2988 O 0 0 0
- 0.0374 1.6147 0.0000 H 0 0 0
- 1.8438 2.1378 0.0000 H 0 0 0
- 0.5981 2.0328 0.0000 H 0 0 0
- -0.5953 2.0282 0.0000 H 0 0 0
- -1.8725 1.9882 0.0000 H 0 0 0
- 2.2111 -0.1130 0.0000 H 0 0 0
- 3.5043 0.4938 0.0000 H 0 0 0
- 2.8975 1.7870 0.0000 H 0 0 0
- -3.2266 0.0847 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 2 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2106-54-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.1208 -0.5810 0.1420 C 0 0 0
- -1.1449 0.2630 -0.0207 C 0 0 0
- 1.3506 0.2842 -0.1412 C 0 0 0
- 0.1882 -1.0733 1.4497 F 0 0 0
- 0.0864 -1.6514 -0.7581 F 0 0 0
- -2.3746 -0.6021 0.2625 C 0 0 0
- -1.1105 1.3335 0.8794 F 0 0 0
- -1.2317 0.8975 -1.7061 Cl 0 0 0
- 2.6163 -0.5598 0.0214 C 0 0 0
- 1.2832 0.7765 -1.4490 F 0 0 0
- 1.3949 1.6638 1.0188 Cl 0 0 0
- -3.6214 0.2292 0.1023 C 0 0 0
- -2.4090 -1.6726 -0.6376 F 0 0 0
- -2.3073 -1.0945 1.5703 F 0 0 0
- 2.6837 -1.0521 1.3292 F 0 0 0
- 2.5819 -1.6303 -0.8787 F 0 0 0
- 4.0655 0.4597 -0.3123 Cl 0 0 0
- -3.8063 1.3161 0.8679 O 0 0 0
- -4.4545 -0.0827 -0.7153 O 0 0 0
- -3.9410 2.1080 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 12 18 1 0
- 12 19 2 0
- 18 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-80-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.8567 0.0037 -0.5351 C 0 0 0
- 1.5103 -1.1949 -0.3196 C 0 0 0
- 1.5126 1.1994 -0.3076 C 0 0 0
- -0.5688 0.0074 -1.0240 C 0 0 0
- 2.8200 -1.1982 0.1234 C 0 0 0
- 2.8218 1.1960 0.1353 C 0 0 0
- -1.5048 -0.0011 0.1570 C 0 0 0
- 3.4756 -0.0030 0.3508 C 0 0 0
- -1.0602 -0.0092 1.2799 O 0 0 0
- -3.2222 0.0010 -0.0966 Cl 0 0 0
- 0.9871 -2.0736 0.0000 H 0 0 0
- 0.9928 2.0800 0.0000 H 0 0 0
- -0.0586 0.8937 0.0000 H 0 0 0
- -1.0847 0.8903 0.0000 H 0 0 0
- 3.3399 -2.0788 0.0000 H 0 0 0
- 3.3450 2.0746 0.0000 H 0 0 0
- 4.4982 -0.0043 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 2 0
- 7 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-951-80-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.9091 0.7084 0.0043 C 0 0 0
- -0.7943 -0.7520 0.0022 C 0 0 0
- 0.1852 1.4669 0.0037 N 0 0 0
- -2.1935 1.2814 0.0010 C 0 0 0
- 0.4855 -1.3343 0.0001 C 0 0 0
- -1.9609 -1.5362 0.0028 C 0 0 0
- 1.4080 0.9354 0.0012 C 0 0 0
- -3.3005 0.4626 -0.0040 C 0 0 0
- 1.6004 -0.4701 0.0001 C 0 0 0
- 0.6452 -2.7035 -0.0024 N 0 0 0
- -3.1775 -0.9325 0.0053 C 0 0 0
- 2.5405 1.7767 0.0007 C 0 0 0
- -4.5707 1.0344 -0.0073 N 0 0 0
- 2.9059 -0.9924 -0.0025 C 0 0 0
- 3.7870 1.2354 -0.0013 C 0 0 0
- 3.9717 -0.1468 -0.0029 C 0 0 0
- -2.3071 2.3233 0.0000 H 0 0 0
- -1.8922 -2.5821 0.0000 H 0 0 0
- -0.1957 -3.3292 0.0000 H 0 0 0
- 1.6075 -3.1189 0.0000 H 0 0 0
- -4.0431 -1.5235 0.0000 H 0 0 0
- 2.4206 2.8179 0.0000 H 0 0 0
- -4.6760 2.0772 0.0000 H 0 0 0
- -5.4212 0.4218 0.0000 H 0 0 0
- 3.0574 -2.0295 0.0000 H 0 0 0
- 4.6233 1.8672 0.0000 H 0 0 0
- 4.9436 -0.5391 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 9 1 0
- 8 11 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-224-42-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.1957 0.1740 -0.0030 C 0 0 0
- -2.4888 -0.5176 -0.0022 C 0 0 0
- -1.1642 1.5910 0.0007 C 0 0 0
- -0.0005 -0.5427 -0.0017 C 0 0 0
- -3.6720 0.2546 0.0024 C 0 0 0
- -2.5728 -1.9106 -0.0054 C 0 0 0
- -0.0011 2.2360 0.0009 N 0 0 0
- -2.3770 2.3244 0.0054 C 0 0 0
- 1.1939 0.1742 -0.0022 C 0 0 0
- -3.5768 1.7100 0.0058 C 0 0 0
- -4.9135 -0.3929 0.0033 C 0 0 0
- -3.7990 -2.5141 -0.0040 C 0 0 0
- 1.1618 1.5913 -0.0032 C 0 0 0
- 2.4877 -0.5170 -0.0002 C 0 0 0
- -4.9640 -1.7572 -0.0003 C 0 0 0
- 2.3748 2.3253 -0.0028 C 0 0 0
- 3.6706 0.2555 -0.0001 C 0 0 0
- 2.5717 -1.9097 0.0022 C 0 0 0
- 3.5744 1.7115 -0.0069 C 0 0 0
- 4.9129 -0.3893 0.0023 C 0 0 0
- 3.8082 -2.5155 0.0044 C 0 0 0
- 4.9696 -1.7535 0.0045 C 0 0 0
- -0.0003 -1.5892 0.0000 H 0 0 0
- -1.7013 -2.4901 0.0000 H 0 0 0
- -2.3401 3.3703 0.0000 H 0 0 0
- -4.4514 2.2848 0.0000 H 0 0 0
- -5.7982 0.1661 0.0000 H 0 0 0
- -3.8611 -3.5588 0.0000 H 0 0 0
- -5.8928 -2.2394 0.0000 H 0 0 0
- 2.3375 3.3712 0.0000 H 0 0 0
- 1.7008 -2.4900 0.0000 H 0 0 0
- 4.4487 2.2867 0.0000 H 0 0 0
- 5.7958 0.1726 0.0000 H 0 0 0
- 3.8736 -3.5600 0.0000 H 0 0 0
- 5.9006 -2.2315 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 1 0
- 14 18 2 0
- 16 19 2 0
- 17 20 2 0
- 18 21 1 0
- 20 22 1 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 19 1 0
- 21 22 2 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63019-38-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.0469 0.7405 0.0022 C 0 0 0
- -0.6680 -0.4720 0.0011 C 0 0 0
- 1.5104 0.6890 0.0016 C 0 0 0
- -0.6397 1.9673 -0.0020 C 0 0 0
- -2.1312 -0.4205 0.0011 C 0 0 0
- 0.0185 -1.6986 -0.0003 C 0 0 0
- 2.1466 -0.5735 0.0003 C 0 0 0
- 2.2806 1.8554 0.0020 C 0 0 0
- -1.9914 2.0201 -0.0075 C 0 0 0
- -2.7685 0.8420 0.0024 C 0 0 0
- -2.9029 -1.5859 -0.0006 C 0 0 0
- 1.3707 -1.7508 -0.0011 C 0 0 0
- 3.5537 -0.6322 -0.0004 C 0 0 0
- 3.6429 1.7723 0.0009 C 0 0 0
- -4.1708 0.9000 0.0022 C 0 0 0
- -4.2645 -1.4946 -0.0011 C 0 0 0
- 4.2820 0.5381 0.0003 C 0 0 0
- 4.1883 -1.8329 -0.0014 O 0 0 0
- -4.8951 -0.2547 0.0009 C 0 0 0
- -0.0908 2.8630 0.0000 H 0 0 0
- -0.5302 -2.5944 0.0000 H 0 0 0
- 1.8113 2.7952 0.0000 H 0 0 0
- -2.4712 2.9546 0.0000 H 0 0 0
- -2.4370 -2.5274 0.0000 H 0 0 0
- 1.8509 -2.6851 0.0000 H 0 0 0
- 4.2159 2.6527 0.0000 H 0 0 0
- -4.6602 1.8295 0.0000 H 0 0 0
- -4.8434 -2.3712 0.0000 H 0 0 0
- 5.3317 0.4967 0.0000 H 0 0 0
- 4.6792 -2.7616 0.0000 H 0 0 0
- -5.9445 -0.2076 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 13 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-218-01-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.4137 0.5692 0.0019 C 0 0 0
- -0.4136 -0.5699 0.0007 C 0 0 0
- 1.8650 0.3786 0.0012 C 0 0 0
- -0.1528 1.8560 -0.0021 C 0 0 0
- -1.8653 -0.3790 0.0007 C 0 0 0
- 0.1529 -1.8562 -0.0010 C 0 0 0
- 2.3792 -0.9392 -0.0004 C 0 0 0
- 2.7443 1.4652 0.0025 C 0 0 0
- -1.4932 2.0376 -0.0075 C 0 0 0
- -2.3792 0.9390 0.0022 C 0 0 0
- -2.7446 -1.4649 -0.0001 C 0 0 0
- 1.4938 -2.0376 -0.0020 C 0 0 0
- 3.7697 -1.1304 -0.0012 C 0 0 0
- 4.0910 1.2445 0.0022 C 0 0 0
- -3.7691 1.1307 0.0022 C 0 0 0
- -4.0917 -1.2438 0.0004 C 0 0 0
- 4.6006 -0.0500 -0.0004 C 0 0 0
- -4.6007 0.0503 0.0008 C 0 0 0
- 0.4802 2.6966 0.0000 H 0 0 0
- -0.4799 -2.6970 0.0000 H 0 0 0
- 2.3697 2.4485 0.0000 H 0 0 0
- -1.8823 3.0153 0.0000 H 0 0 0
- -2.3702 -2.4483 0.0000 H 0 0 0
- 1.8831 -3.0152 0.0000 H 0 0 0
- 4.1691 -2.1040 0.0000 H 0 0 0
- 4.7519 2.0633 0.0000 H 0 0 0
- -4.1681 2.1044 0.0000 H 0 0 0
- -4.7529 -2.0625 0.0000 H 0 0 0
- 5.6426 -0.1971 0.0000 H 0 0 0
- -5.6426 0.1978 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 2 0
- 11 16 1 0
- 13 17 2 0
- 15 18 1 0
- 7 12 2 0
- 9 10 1 0
- 14 17 1 0
- 16 18 2 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14064-55-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.5672 -0.3714 0.0074 C 0 0 0
- 2.4092 -1.4868 0.0067 C 0 0 0
- 2.1192 0.9121 0.0043 C 0 0 0
- 0.1040 -0.5482 0.0053 C 0 0 0
- 3.7773 -1.3137 0.0030 C 0 0 0
- 3.4896 1.0698 0.0005 C 0 0 0
- -0.7019 0.5255 0.0060 C 0 0 0
- 4.3169 -0.0392 -0.0001 C 0 0 0
- -2.1651 0.3487 0.0039 C 0 0 0
- 5.7866 0.1384 -0.0042 N 0 3 0
- -3.0069 1.4644 0.0046 C 0 0 0
- -2.7168 -0.9349 -0.0047 C 0 0 0
- 6.2646 1.2586 -0.0069 O 0 0 0
- 6.5177 -0.8358 -0.0048 O 0 5 0
- -4.3748 1.2919 0.0021 C 0 0 0
- -4.0868 -1.0933 -0.0071 C 0 0 0
- -4.9152 0.0165 -0.0010 C 0 0 0
- -6.6386 -0.1918 -0.0036 Cl 0 0 0
- 2.0055 -2.4438 0.0000 H 0 0 0
- 1.4992 1.7455 0.0000 H 0 0 0
- -0.3037 -1.5035 0.0000 H 0 0 0
- 4.4043 -2.1418 0.0000 H 0 0 0
- 3.9014 2.0234 0.0000 H 0 0 0
- -0.2942 1.4808 0.0000 H 0 0 0
- -2.6029 2.4213 0.0000 H 0 0 0
- -2.0965 -1.7680 0.0000 H 0 0 0
- -5.0015 2.1202 0.0000 H 0 0 0
- -4.4982 -2.0470 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 17 18 1 0
- 6 8 2 0
- 16 17 2 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39413-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 0.8647 0.3707 0.1524 C 0 0 0
- -0.4055 0.7302 0.9259 C 0 0 0
- 2.0887 0.8762 0.9186 C 0 0 0
- 0.9518 -1.1258 -0.0025 C 0 0 0
- 0.8251 0.9817 -1.1388 O 0 0 0
- -1.6111 0.2322 0.1713 C 0 0 0
- 3.3398 0.5221 0.1567 C 0 0 0
- 1.0010 -1.9114 1.0848 O 0 0 0
- 0.9774 -1.6185 -1.1054 O 0 0 0
- -2.8428 0.4360 0.6643 O 0 0 0
- -1.4690 -0.3504 -0.8776 O 0 0 0
- 4.5421 0.8684 0.6425 O 0 0 0
- 3.2605 -0.0735 -0.8916 O 0 0 0
- -4.0044 -0.0438 -0.0628 C 0 0 0
- -5.1213 -0.3825 0.9265 C 0 0 0
- -4.4880 1.0426 -1.0255 C 0 0 0
- 0.1052 1.5150 0.0000 H 0 0 0
- -1.0035 1.4507 0.0000 H 0 0 0
- 2.5994 1.6610 0.0000 H 0 0 0
- 1.4907 1.5967 0.0000 H 0 0 0
- 0.7645 1.9161 0.0000 H 0 0 0
- 1.0595 -2.8459 0.0000 H 0 0 0
- 5.4419 1.1276 0.0000 H 0 0 0
- -3.6894 -0.9256 0.0000 H 0 0 0
- -5.3930 0.5135 0.0000 H 0 0 0
- -6.0173 -0.6542 0.0000 H 0 0 0
- -4.8496 -1.2785 0.0000 H 0 0 0
- -3.6326 1.4234 0.0000 H 0 0 0
- -4.8688 1.8980 0.0000 H 0 0 0
- -5.3434 0.6618 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 2 0
- 10 14 1 0
- 14 15 1 0
- 14 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 5 21 1 0
- 8 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6149-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.2811 -1.0810 -0.0320 C 0 0 0
- -1.0050 -1.6259 -0.0524 N 0 0 0
- 0.8987 -0.7990 1.1804 C 0 0 0
- 0.9478 -0.8252 -1.2236 C 0 0 0
- -2.1228 -0.7830 -0.0312 C 0 0 0
- 2.1702 -0.2609 1.1969 C 0 0 0
- 2.2195 -0.2869 -1.1996 C 0 0 0
- -3.3953 -1.3208 0.1097 C 0 0 0
- -1.9585 0.5915 -0.1452 C 0 0 0
- 2.8290 -0.0026 0.0085 C 0 0 0
- -4.4977 -0.4894 0.1312 C 0 0 0
- -3.0606 1.4226 -0.1237 C 0 0 0
- 4.1921 0.5743 0.0301 N 0 3 0
- -4.3338 0.8843 0.0119 C 0 0 0
- 4.7735 0.8024 -1.0155 O 0 0 0
- 4.7321 0.8210 1.0936 O 0 5 0
- -5.4513 1.7269 0.0332 N 0 0 0
- -1.1317 -2.6538 0.0000 H 0 0 0
- 0.4818 0.1490 0.0000 H 0 0 0
- 1.3352 -1.7857 0.0000 H 0 0 0
- 1.7793 0.6981 0.0000 H 0 0 0
- 2.6403 -1.2332 0.0000 H 0 0 0
- -3.5225 -2.3486 0.0000 H 0 0 0
- -1.0058 0.9975 0.0000 H 0 0 0
- -5.4504 -0.8955 0.0000 H 0 0 0
- -2.9335 2.4504 0.0000 H 0 0 0
- -5.3248 2.7548 0.0000 H 0 0 0
- -6.4047 1.3225 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 7 10 2 0
- 12 14 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-965-52-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.4280 -0.0315 -0.0042 C 0 0 0
- -3.5562 -0.7791 -0.0055 O 0 0 0
- -2.8534 1.3820 0.0036 C 0 0 0
- -1.1298 -0.5004 -0.0041 C 0 0 0
- -4.6227 0.0251 0.0007 C 0 0 0
- -4.2166 1.3616 0.0064 C 0 0 0
- -0.1061 0.3629 -0.0027 N 0 0 0
- -6.0360 -0.4352 0.0013 N 0 3 0
- 1.1072 -0.0753 -0.0026 N 0 0 0
- -6.9417 0.3792 0.0072 O 0 0 0
- -6.3295 -1.8204 -0.0048 O 0 5 0
- 2.1375 0.7935 -0.0012 C 0 0 0
- 3.5235 0.2929 -0.0011 C 0 0 0
- 1.9236 1.9895 0.0000 O 0 0 0
- 4.5944 1.1929 0.0003 C 0 0 0
- 3.7722 -1.0841 0.0034 C 0 0 0
- 5.8874 0.7209 0.0009 C 0 0 0
- 5.0679 -1.5471 0.0039 C 0 0 0
- 6.1299 -0.6485 0.0000 C 0 0 0
- 7.4058 -1.1094 0.0001 O 0 0 0
- -2.2437 2.2151 0.0000 H 0 0 0
- -0.9480 -1.5166 0.0000 H 0 0 0
- -4.8376 2.1863 0.0000 H 0 0 0
- 1.2890 -1.0915 0.0000 H 0 0 0
- 4.4152 2.2096 0.0000 H 0 0 0
- 2.9847 -1.7516 0.0000 H 0 0 0
- 6.6783 1.3844 0.0000 H 0 0 0
- 5.2522 -2.5629 0.0000 H 0 0 0
- 8.3767 -1.4601 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 5 6 2 0
- 18 19 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 9 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82-33-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.0472 -0.4092 0.0445 C 0 0 0
- -0.3657 -1.6398 0.0179 C 0 0 0
- -0.2860 0.8457 0.2289 C 0 0 0
- -2.4297 -0.3828 -0.1086 C 0 0 0
- 1.1051 -1.6660 0.1744 C 0 0 0
- -1.0805 -2.8207 -0.1556 C 0 0 0
- 1.1784 0.8257 0.0790 C 0 0 0
- -0.8628 1.8811 0.5014 O 0 0 0
- -3.1246 -1.5659 -0.2858 C 0 0 0
- -3.1551 0.9072 -0.0814 N 0 3 0
- 1.8626 -0.4097 0.0523 C 0 0 0
- 1.6814 -2.7128 0.4008 O 0 0 0
- -2.4556 -2.7768 -0.3014 C 0 0 0
- 1.9004 2.0164 -0.0379 C 0 0 0
- -4.1438 1.0353 0.6182 O 0 0 0
- -2.7631 1.8406 -0.7586 O 0 5 0
- 3.2526 -0.4250 -0.0904 C 0 0 0
- 3.2913 1.9737 -0.1797 C 0 0 0
- 1.2406 3.2355 -0.0129 N 0 0 0
- 3.9519 0.7809 -0.2056 C 0 0 0
- 3.9360 -1.6310 -0.1174 N 0 0 0
- -0.5845 -3.7344 0.0000 H 0 0 0
- -4.1642 -1.5522 0.0000 H 0 0 0
- -2.9981 -3.6637 0.0000 H 0 0 0
- 3.8328 2.8612 0.0000 H 0 0 0
- 1.7850 4.1212 0.0000 H 0 0 0
- 0.2013 3.2641 0.0000 H 0 0 0
- 4.9915 0.7706 0.0000 H 0 0 0
- 3.4089 -2.5271 0.0000 H 0 0 0
- 4.9756 -1.6394 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 2 0
- 10 15 2 0
- 10 16 1 0
- 11 17 2 0
- 14 18 1 0
- 14 19 1 0
- 17 20 1 0
- 17 21 1 0
- 7 11 1 0
- 9 13 1 0
- 18 20 2 0
- 6 22 1 0
- 9 23 1 0
- 13 24 1 0
- 18 25 1 0
- 19 26 1 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 21 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36712-35-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.0333 -0.8143 0.0791 C 0 0 0
- -1.5029 -1.0033 0.1600 C 0 0 0
- 0.5473 0.3626 0.5479 C 0 0 0
- 0.7717 -1.8151 -0.4607 C 0 0 0
- -2.3585 -0.1191 -0.4935 C 0 0 0
- -2.0319 -2.0691 0.8853 C 0 0 0
- 1.9145 0.5331 0.4701 C 0 0 0
- -0.3009 1.4281 1.1279 N 0 3 0
- 2.1382 -1.6340 -0.5336 C 0 0 0
- -3.7248 -0.2997 -0.4148 C 0 0 0
- -1.8036 1.0120 -1.2704 N 0 3 0
- -3.3994 -2.2401 0.9573 C 0 0 0
- 2.7085 -0.4616 -0.0721 C 0 0 0
- 0.2077 2.4562 1.5373 O 0 0 0
- -1.5076 1.2766 1.1956 O 0 5 0
- -4.2446 -1.3558 0.3111 C 0 0 0
- -2.5527 1.7843 -1.8413 O 0 0 0
- -0.5979 1.1705 -1.3388 O 0 5 0
- 4.1744 -0.2731 -0.1529 N 0 3 0
- 4.8755 -1.1474 -0.6298 O 0 0 0
- 4.6795 0.7564 0.2576 O 0 5 0
- 0.4187 -2.6968 0.0000 H 0 0 0
- -1.4822 -2.8436 0.0000 H 0 0 0
- 2.2725 1.4128 0.0000 H 0 0 0
- 2.6938 -2.4042 0.0000 H 0 0 0
- -4.2785 0.4719 0.0000 H 0 0 0
- -3.7177 -3.1349 0.0000 H 0 0 0
- -5.1833 -1.5003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 11 17 2 0
- 11 18 1 0
- 13 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 13 2 0
- 12 16 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24424-99-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- 3.5885 0.0992 -0.0093 C 0 0 0
- 2.3307 0.8191 0.0802 O 0 0 0
- 3.6239 -0.7060 -1.3098 C 0 0 0
- 4.7490 1.0962 0.0050 C 0 0 0
- 3.7181 -0.8513 1.1827 C 0 0 0
- 1.1665 0.1465 0.0402 C 0 0 0
- 0.0000 0.8204 0.0000 O 0 0 0
- 1.1665 -1.0676 0.0402 O 0 0 0
- -1.1665 0.1465 -0.0402 C 0 0 0
- -2.3307 0.8191 -0.0803 O 0 0 0
- -1.1665 -1.0676 -0.0401 O 0 0 0
- -3.5885 0.0992 0.0092 C 0 0 0
- -3.7181 -0.8513 -1.1827 C 0 0 0
- -3.6239 -0.7060 1.3098 C 0 0 0
- -4.7490 1.0962 -0.0050 C 0 0 0
- 2.6165 -0.7503 0.0000 H 0 0 0
- 3.6682 -1.7134 0.0000 H 0 0 0
- 4.6313 -0.6617 0.0000 H 0 0 0
- 5.4061 0.3313 0.0000 H 0 0 0
- 5.5139 1.7533 0.0000 H 0 0 0
- 4.0919 1.8611 0.0000 H 0 0 0
- 2.7189 -0.9875 0.0000 H 0 0 0
- 3.8543 -1.8505 0.0000 H 0 0 0
- 4.7173 -0.7151 0.0000 H 0 0 0
- -4.7173 -0.7151 0.0000 H 0 0 0
- -3.8543 -1.8505 0.0000 H 0 0 0
- -2.7189 -0.9875 0.0000 H 0 0 0
- -4.6313 -0.6617 0.0000 H 0 0 0
- -3.6682 -1.7134 0.0000 H 0 0 0
- -2.6165 -0.7503 0.0000 H 0 0 0
- -4.0919 1.8611 0.0000 H 0 0 0
- -5.5139 1.7533 0.0000 H 0 0 0
- -5.4061 0.3313 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 1 0
- 9 10 1 0
- 9 11 2 0
- 10 12 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 1 0
- 3 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 5 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-90-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.6579 -1.1763 -0.0003 C 0 0 0
- -0.6897 -1.1579 -0.0004 N 0 0 0
- 1.3476 -0.0183 -0.0003 N 0 0 0
- 1.2511 -2.2368 0.0048 O 0 0 0
- -1.3476 0.0183 -0.0005 C 0 0 0
- -1.5648 -2.6270 -0.0010 Cl 0 0 0
- 0.6897 1.1579 -0.0004 C 0 0 0
- 3.0575 -0.0416 -0.0008 Cl 0 0 0
- -0.6579 1.1763 0.0000 N 0 0 0
- -2.5627 0.0349 -0.0005 O 0 0 0
- 1.3115 2.2019 -0.0012 O 0 0 0
- -1.4927 2.6687 0.0011 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 2 0
- 9 12 1 0
- 7 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.4507 0.7782 1.0811 N 0 0 0
- -0.8001 0.6165 0.4800 C 0 0 0
- 1.5968 0.2847 0.4527 C 0 0 0
- -1.5396 -0.5349 0.7131 C 0 0 0
- -1.3082 1.6106 -0.3478 C 0 0 0
- 2.8165 0.3005 1.1172 C 0 0 0
- 1.5181 -0.2283 -0.8362 C 0 0 0
- -2.7800 -0.6916 0.1149 C 0 0 0
- -2.5446 1.4504 -0.9419 C 0 0 0
- 3.9475 -0.1882 0.4931 C 0 0 0
- 2.6527 -0.7153 -1.4542 C 0 0 0
- -3.5067 -1.8174 0.3414 O 0 0 0
- -3.2797 0.3019 -0.7152 C 0 0 0
- 3.8667 -0.6928 -0.7917 C 0 0 0
- 0.5790 1.6953 0.0000 H 0 0 0
- -1.0455 -1.3181 0.0000 H 0 0 0
- -0.8767 2.4300 0.0000 H 0 0 0
- 2.9982 1.2085 0.0000 H 0 0 0
- 0.7084 -0.6776 0.0000 H 0 0 0
- -3.0405 2.2324 0.0000 H 0 0 0
- 4.7592 0.2574 0.0000 H 0 0 0
- 2.4747 -1.6241 0.0000 H 0 0 0
- -4.0089 -2.5954 0.0000 H 0 0 0
- -4.2045 0.3497 0.0000 H 0 0 0
- 4.4740 -1.3919 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 1 0
- 13 8 2 0
- 14 10 2 0
- 9 13 1 0
- 11 14 1 0
- 1 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5806-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.7343 -0.7399 0.1775 C 0 0 0
- -2.6496 0.3017 0.2814 C 0 0 0
- -0.3863 -0.5162 0.4551 N 0 0 0
- -2.1676 -2.0062 -0.1981 C 0 0 0
- -3.9834 0.0762 0.0063 C 0 0 0
- -2.1860 1.6752 0.6933 C 0 0 0
- 0.5203 -0.9679 -0.3437 N 0 3 0
- -3.5043 -2.2252 -0.4666 C 0 0 0
- -4.4099 -1.1842 -0.3724 C 0 0 0
- -4.9586 1.1842 0.1170 N 0 3 0
- 1.8156 -0.9672 0.0361 C 0 0 0
- 0.2075 -1.3950 -1.4407 O 0 5 0
- -5.7631 1.1983 1.0313 O 0 0 0
- -4.9565 2.0818 -0.7063 O 0 5 0
- 2.6229 0.1536 -0.2099 C 0 0 0
- 2.3619 -2.0854 0.6846 C 0 0 0
- 3.9438 0.1446 0.1815 C 0 0 0
- 2.0472 1.3630 -0.9004 C 0 0 0
- 3.6847 -2.0751 1.0682 C 0 0 0
- 4.4753 -0.9661 0.8154 C 0 0 0
- 4.7977 1.3257 -0.0767 N 0 3 0
- 5.6640 1.2757 -0.9315 O 0 0 0
- 4.6342 2.3476 0.5655 O 0 5 0
- -1.5215 -2.7706 0.0000 H 0 0 0
- -1.2377 1.3551 0.0000 H 0 0 0
- -1.8659 2.6235 0.0000 H 0 0 0
- -3.1343 1.9953 0.0000 H 0 0 0
- -3.8439 -3.1667 0.0000 H 0 0 0
- -5.3918 -1.3780 0.0000 H 0 0 0
- 1.8351 -2.9364 0.0000 H 0 0 0
- 2.9509 1.7932 0.0000 H 0 0 0
- 1.6170 2.2667 0.0000 H 0 0 0
- 1.1435 0.9328 0.0000 H 0 0 0
- 4.1466 -2.9630 0.0000 H 0 0 0
- 5.4724 -1.0526 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 11 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 17 21 1 0
- 21 22 2 0
- 21 23 1 0
- 8 9 2 0
- 19 20 1 0
- 4 24 1 0
- 6 25 1 0
- 6 26 1 0
- 6 27 1 0
- 8 28 1 0
- 9 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115664-51-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2458 -1.2443 -0.0024 C 0 0 0
- -1.5214 -0.6353 -0.0020 C 0 0 0
- 0.9281 -0.4638 -0.0016 C 0 0 0
- -0.1498 -2.6547 0.0024 C 0 0 0
- -1.6515 0.7681 -0.0009 C 0 0 0
- -2.6786 -1.4473 -0.0023 C 0 0 0
- 0.8259 1.0056 -0.0005 C 0 0 0
- 2.1686 -1.0930 -0.0015 C 0 0 0
- -1.3286 -3.4389 0.0078 C 0 0 0
- 1.1144 -3.2544 0.0021 C 0 0 0
- -0.4454 1.6122 -0.0001 C 0 0 0
- -2.9248 1.3394 0.0000 C 0 0 0
- -2.5473 -2.8568 -0.0026 C 0 0 0
- -3.9416 -0.8427 -0.0018 C 0 0 0
- 1.9703 1.8029 0.0004 C 0 0 0
- 2.2509 -2.4747 -0.0016 C 0 0 0
- 3.4067 -0.2812 -0.0006 N 0 3 0
- -0.5456 3.0038 0.0010 C 0 0 0
- -4.0542 0.5288 -0.0003 C 0 0 0
- -3.0609 2.6905 0.0016 O 0 0 0
- 1.8493 3.1751 0.0015 C 0 0 0
- 3.9162 0.0535 -1.0551 O 0 0 0
- 3.9157 0.0521 1.0545 O 0 5 0
- 0.5971 3.7728 0.0017 C 0 0 0
- -1.2547 -4.4828 0.0000 H 0 0 0
- 1.1972 -4.2977 0.0000 H 0 0 0
- -3.4057 -3.4555 0.0000 H 0 0 0
- -4.8035 -1.4363 0.0000 H 0 0 0
- 2.9184 1.3598 0.0000 H 0 0 0
- 3.1910 -2.9346 0.0000 H 0 0 0
- -1.4865 3.4621 0.0000 H 0 0 0
- -5.0041 0.9681 0.0000 H 0 0 0
- -3.1658 3.7318 0.0000 H 0 0 0
- 2.7091 3.7718 0.0000 H 0 0 0
- 0.5202 4.8165 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 15 21 2 0
- 17 22 2 0
- 17 23 1 0
- 18 24 2 0
- 7 11 2 0
- 9 13 2 0
- 10 16 1 0
- 14 19 2 0
- 21 24 1 0
- 9 25 1 0
- 10 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 24 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3118-97-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 2.3810 0.5119 0.0542 C 0 0 0
- 1.3061 -0.4428 0.3231 C 0 0 0
- 3.7004 0.0270 -0.1163 C 0 0 0
- 2.1304 1.8853 -0.0427 C 0 0 0
- 0.0266 -0.0183 0.4934 N 0 0 0
- 1.6244 -1.8014 0.4015 C 0 0 0
- 3.9495 -1.3541 -0.0239 C 0 0 0
- 4.7378 0.9388 -0.3750 C 0 0 0
- 3.1606 2.7424 -0.2951 C 0 0 0
- -0.9338 -0.5904 -0.1503 N 0 0 0
- 2.9396 -2.2288 0.2261 C 0 0 0
- 0.6477 -2.7096 0.6502 O 0 0 0
- 4.4602 2.2697 -0.4575 C 0 0 0
- -2.2057 -0.0989 -0.0589 C 0 0 0
- -3.2676 -0.7830 -0.6567 C 0 0 0
- -2.4517 1.0877 0.6381 C 0 0 0
- -4.5486 -0.2810 -0.5597 C 0 0 0
- -3.0136 -2.0657 -1.4058 C 0 0 0
- -3.7377 1.5772 0.7265 C 0 0 0
- -4.7836 0.8968 0.1273 C 0 0 0
- -6.1862 1.4389 0.2282 C 0 0 0
- 1.1691 2.2342 0.0000 H 0 0 0
- 4.9139 -1.6945 0.0000 H 0 0 0
- 5.7079 0.6151 0.0000 H 0 0 0
- 2.9850 3.7499 0.0000 H 0 0 0
- 3.1426 -3.2311 0.0000 H 0 0 0
- -0.1012 -3.4060 0.0000 H 0 0 0
- 5.2332 2.9392 0.0000 H 0 0 0
- -1.6733 1.7510 0.0000 H 0 0 0
- -5.3327 -0.9376 0.0000 H 0 0 0
- -4.0168 -2.2644 0.0000 H 0 0 0
- -2.8149 -3.0689 0.0000 H 0 0 0
- -2.0104 -1.8670 0.0000 H 0 0 0
- -3.8464 2.5941 0.0000 H 0 0 0
- -5.8175 2.3928 0.0000 H 0 0 0
- -7.1401 1.8076 0.0000 H 0 0 0
- -6.5549 0.4850 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 20 21 1 0
- 7 11 1 0
- 9 13 1 0
- 19 20 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-89-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4974 1.2003 0.0288 C 0 0 0
- -1.1919 -0.0001 0.0021 C 0 0 0
- 0.8843 1.1978 0.0282 C 0 0 0
- -1.2357 2.4830 0.0518 N 0 3 0
- -0.4969 -1.2006 -0.0251 C 0 0 0
- -2.5509 -0.0002 0.0023 O 0 0 0
- 1.5745 0.0003 0.0010 C 0 0 0
- -0.8650 3.4116 -0.6437 O 0 0 0
- -2.2140 2.6098 0.7662 O 0 5 0
- 0.8844 -1.1978 -0.0256 C 0 0 0
- -1.2349 -2.4834 -0.0532 N 0 3 0
- 3.0547 0.0005 -0.0001 N 0 3 0
- -0.8662 -3.4135 0.6414 O 0 0 0
- -2.2111 -2.6088 -0.7708 O 0 5 0
- 3.6638 -1.0540 -0.0241 O 0 0 0
- 3.6636 1.0551 0.0229 O 0 5 0
- 1.4035 2.0945 0.0000 H 0 0 0
- -3.5870 -0.0003 0.0000 H 0 0 0
- 1.4038 -2.0943 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 7 10 1 0
- 3 17 1 0
- 6 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-206-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- -0.8368 -0.0410 0.0020 C 0 0 0
- -0.1117 -1.1142 0.0012 C 0 0 0
- -0.0582 1.1982 0.0013 C 0 0 0
- -2.3001 -0.0235 -0.0023 C 0 0 0
- 1.3056 -0.7184 -0.0004 C 0 0 0
- -0.8253 -2.4074 0.0027 C 0 0 0
- 1.3475 0.7651 0.0004 C 0 0 0
- -0.7137 2.3340 0.0013 C 0 0 0
- -2.9351 -1.1709 -0.0067 C 0 0 0
- -2.9468 1.3000 -0.0016 C 0 0 0
- 2.4283 -1.3987 -0.0018 C 0 0 0
- -2.1446 -2.4200 0.0042 C 0 0 0
- 2.4975 1.3908 0.0005 C 0 0 0
- -2.1838 2.3764 0.0014 C 0 0 0
- 3.7215 -0.6930 -0.0015 C 0 0 0
- 3.7557 0.6227 -0.0008 C 0 0 0
- -0.2628 -3.3499 0.0000 H 0 0 0
- -0.1512 3.2765 0.0000 H 0 0 0
- -4.0323 -1.2031 0.0000 H 0 0 0
- -4.0408 1.3889 0.0000 H 0 0 0
- 2.4035 -2.4960 0.0000 H 0 0 0
- -2.6694 -3.3840 0.0000 H 0 0 0
- 2.5248 2.4881 0.0000 H 0 0 0
- -2.6737 3.3586 0.0000 H 0 0 0
- 4.6580 -1.2654 0.0000 H 0 0 0
- 4.7198 1.1474 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 11 15 1 0
- 13 16 1 0
- 5 7 1 0
- 9 12 1 0
- 10 14 2 0
- 15 16 2 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.0034 -0.4557 0.0000 C 0 0 0
- -1.1842 0.1815 0.0000 N 0 0 0
- 1.0344 0.1831 0.0000 O 0 0 0
- 0.0333 -1.4155 0.0000 H 0 0 0
- -1.2141 1.1413 0.0000 H 0 0 0
- -2.0004 -0.3243 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96563-11-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.2462 -0.6294 0.0131 C 0 0 0
- -1.2375 -0.6078 0.0012 C 0 0 0
- 0.7301 0.6617 -0.1789 C 0 0 0
- 1.1481 -1.6819 0.1825 C 0 0 0
- -1.6807 0.6966 -0.1982 C 0 0 0
- -2.1726 -1.6338 0.1505 C 0 0 0
- -0.4612 1.5767 -0.3239 C 0 0 0
- 2.0879 0.8985 -0.2067 C 0 0 0
- 2.5048 -1.4383 0.1529 C 0 0 0
- -3.0309 0.9720 -0.2476 C 0 0 0
- -3.5212 -1.3491 0.0997 C 0 0 0
- -0.4555 2.6049 0.8091 C 0 0 0
- 2.9782 -0.1508 -0.0431 C 0 0 0
- -3.9521 -0.0496 -0.0989 C 0 0 0
- 4.3086 0.0823 -0.0706 F 0 0 0
- 0.8011 -2.6556 0.0000 H 0 0 0
- -1.8555 -2.6177 0.0000 H 0 0 0
- 0.4673 2.0311 0.0000 H 0 0 0
- 2.4397 1.8705 0.0000 H 0 0 0
- 3.1692 -2.2302 0.0000 H 0 0 0
- -3.3540 1.9539 0.0000 H 0 0 0
- -4.2100 -2.1199 0.0000 H 0 0 0
- 0.5782 2.5992 0.0000 H 0 0 0
- -0.4498 3.6386 0.0000 H 0 0 0
- -1.4892 2.6106 0.0000 H 0 0 0
- -4.9638 0.1626 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 1 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64920-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.1466 0.6001 -0.1708 C 0 0 0
- -0.9456 -0.5527 -0.0027 C 0 0 0
- 1.2564 0.4576 -0.2242 C 0 0 0
- -0.7560 1.8671 -0.2879 C 0 0 0
- -2.4024 -0.3973 0.0495 C 0 0 0
- -0.3429 -1.8075 0.1094 C 0 0 0
- 1.8279 -0.8043 -0.1124 C 0 0 0
- 2.1309 1.6325 -0.3967 C 0 0 0
- -2.0973 2.0114 -0.2450 C 0 0 0
- -2.9520 0.8990 -0.0699 C 0 0 0
- -3.2483 -1.4960 0.2130 C 0 0 0
- 1.0282 -1.9242 0.0546 C 0 0 0
- 3.3272 -0.9419 -0.1739 C 0 0 2
- 3.4145 1.5463 -0.0698 C 0 0 0
- -4.3445 1.0578 -0.0223 C 0 0 0
- -4.6005 -1.3082 0.2556 C 0 0 0
- 3.9864 0.2698 0.4819 C 0 0 1
- 3.7419 -1.0293 -1.5387 O 0 0 0
- -5.1452 -0.0347 0.1384 C 0 0 0
- 3.7717 0.2227 1.8939 O 0 0 0
- -0.1561 2.7166 0.0000 H 0 0 0
- -0.9335 -2.6635 0.0000 H 0 0 0
- 1.6955 2.5769 0.0000 H 0 0 0
- -2.5063 2.9675 0.0000 H 0 0 0
- -2.8545 -2.4585 0.0000 H 0 0 0
- 1.4645 -2.8682 0.0000 H 0 0 0
- 3.1722 -1.9702 0.0000 H 0 0 0
- 4.0088 2.3997 0.0000 H 0 0 0
- -4.7613 2.0106 0.0000 H 0 0 0
- -5.2318 -2.1346 0.0000 H 0 0 0
- 5.0256 0.2298 0.0000 H 0 0 0
- 4.7595 -1.2438 0.0000 H 0 0 0
- -6.1784 0.0838 0.0000 H 0 0 0
- 2.7559 -0.0001 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 13 18 1 0
- 15 19 2 0
- 17 20 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 19 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.1824 0.0069 0.0795 N 0 0 0
- -1.5293 0.2305 0.6106 C 0 0 0
- 0.4941 1.0672 -0.6717 C 0 0 0
- 0.4101 -1.1217 0.2779 N 0 0 0
- -2.5655 -0.1982 -0.4303 C 0 0 0
- 1.2970 1.9428 0.2925 C 0 0 0
- 1.5299 -1.3075 -0.1637 O 0 0 0
- -1.0876 1.0343 0.0000 H 0 0 0
- -2.1411 0.9138 0.0000 H 0 0 0
- 0.1683 1.9245 0.0000 H 0 0 0
- -0.4182 1.1609 0.0000 H 0 0 0
- -2.9161 0.6493 0.0000 H 0 0 0
- -3.4130 -0.5488 0.0000 H 0 0 0
- -2.2149 -1.0457 0.0000 H 0 0 0
- 1.9730 1.3230 0.0000 H 0 0 0
- 1.9169 2.6188 0.0000 H 0 0 0
- 0.6210 2.5627 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.2559 0.9156 0.1605 C 0 0 0
- -1.2666 -0.4730 0.0385 C 0 0 0
- 0.0001 1.6818 0.4436 C 0 0 0
- -2.4473 1.6093 0.0209 C 0 0 0
- -0.0001 -1.2274 0.1707 C 0 0 0
- -2.4597 -1.1526 -0.2104 C 0 0 0
- 1.2564 0.9155 0.1619 C 0 0 0
- -3.6265 0.9342 -0.2280 C 0 0 0
- 1.2666 -0.4733 0.0380 C 0 0 0
- -0.0002 -2.4245 0.3813 O 0 0 0
- -3.6364 -0.4450 -0.3431 C 0 0 0
- 2.4474 1.6089 0.0228 C 0 0 0
- 2.4591 -1.1527 -0.2115 C 0 0 0
- 3.6266 0.9337 -0.2283 C 0 0 0
- 3.6364 -0.4451 -0.3436 C 0 0 0
- 0.6711 2.4685 0.0000 H 0 0 0
- -0.6709 2.4685 0.0000 H 0 0 0
- -2.4435 2.6433 0.0000 H 0 0 0
- -2.4719 -2.1865 0.0000 H 0 0 0
- -4.5191 1.4560 0.0000 H 0 0 0
- -4.5382 -0.9508 0.0000 H 0 0 0
- 2.4437 2.6429 0.0000 H 0 0 0
- 2.4712 -2.1866 0.0000 H 0 0 0
- 4.5193 1.4555 0.0000 H 0 0 0
- 4.5382 -0.9510 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 2 0
- 9 13 2 0
- 12 14 1 0
- 13 15 1 0
- 7 9 1 0
- 8 11 1 0
- 14 15 2 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-32-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.3268 -0.6092 -0.6975 C 0 0 0
- -0.5620 -1.7846 0.0002 C 0 0 0
- 0.9338 -0.4532 -1.5085 C 0 0 0
- -1.2515 0.4164 -0.6532 C 0 0 0
- -1.7236 -1.9260 0.7458 C 0 0 0
- 0.3439 -2.7968 -0.0467 O 0 0 0
- 2.0169 0.1395 -0.6444 C 0 0 0
- -2.4116 0.2714 0.0865 C 0 0 0
- -2.6432 -0.8965 0.7918 C 0 0 0
- 2.8579 -0.6889 0.0753 C 0 0 0
- 2.1731 1.5111 -0.5759 C 0 0 0
- -3.5718 1.5617 0.1411 Cl 0 0 0
- 3.8512 -0.1453 0.8678 C 0 0 0
- 3.1667 2.0549 0.2169 C 0 0 0
- 4.0038 1.2269 0.9409 C 0 0 0
- 0.6864 -1.3315 0.0000 H 0 0 0
- 1.6477 -1.0215 0.0000 H 0 0 0
- -0.9331 1.2716 0.0000 H 0 0 0
- -2.0453 -2.7799 0.0000 H 0 0 0
- 0.9525 -3.4768 0.0000 H 0 0 0
- -3.5235 -1.1370 0.0000 H 0 0 0
- 2.7319 -1.5927 0.0000 H 0 0 0
- 1.4157 2.0201 0.0000 H 0 0 0
- 4.6092 -0.6533 0.0000 H 0 0 0
- 3.2937 2.9585 0.0000 H 0 0 0
- 4.8641 1.5313 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 8 9 1 0
- 14 15 2 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-42397-64-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.5373 -0.3047 -0.0010 C 0 0 0
- -0.5751 0.3774 -0.0022 C 0 0 0
- 1.8367 0.3933 -0.0020 C 0 0 0
- 0.5130 -1.7785 0.0076 C 0 0 0
- -1.8777 -0.3124 -0.0007 C 0 0 0
- -0.5421 1.8521 -0.0046 C 0 0 0
- 3.0561 -0.4338 0.0001 C 0 0 0
- 1.8713 1.7046 -0.0039 C 0 0 0
- -0.7847 -2.4744 0.0137 C 0 0 0
- 1.6496 -2.4346 0.0092 C 0 0 0
- -2.9779 0.4032 -0.0014 C 0 0 0
- -1.9096 -1.7846 0.0020 C 0 0 0
- 0.6110 2.4774 -0.0056 C 0 0 0
- -1.8322 2.5639 -0.0052 C 0 0 0
- 2.9461 -1.7451 0.0027 C 0 0 0
- 4.2788 0.1502 -0.0012 N 0 3 0
- -2.9511 1.8714 -0.0042 C 0 0 0
- -4.1748 -0.2321 0.0000 N 0 3 0
- 5.1229 -0.2059 -0.8037 O 0 0 0
- 4.5337 1.0312 0.8003 O 0 5 0
- -4.9821 -0.0119 -0.8850 O 0 0 0
- -4.4433 -1.0233 0.8862 O 0 5 0
- 2.7645 2.1893 0.0000 H 0 0 0
- -0.8141 -3.4902 0.0000 H 0 0 0
- 1.6319 -3.4507 0.0000 H 0 0 0
- -2.8017 -2.2714 0.0000 H 0 0 0
- 0.6380 3.4933 0.0000 H 0 0 0
- -1.8576 3.5798 0.0000 H 0 0 0
- 3.7946 -2.3045 0.0000 H 0 0 0
- -3.8343 2.3741 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 8 13 1 0
- 9 12 2 0
- 10 15 1 0
- 14 17 2 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-758-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5031 0.0280 -0.0013 N 0 0 0
- -0.6783 0.6766 0.0010 C 0 0 0
- 1.7558 0.7875 0.0003 C 0 0 0
- 0.5324 -1.3377 0.0005 N 0 0 0
- -1.7154 0.0478 -0.0003 O 0 0 0
- -0.7002 1.6940 0.0000 H 0 0 0
- 2.2834 -0.0827 0.0000 H 0 0 0
- 2.6260 1.3151 0.0000 H 0 0 0
- 1.2282 1.6577 0.0000 H 0 0 0
- -0.3378 -1.8653 0.0000 H 0 0 0
- 1.4244 -1.8275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97576-08-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- 0.0167 0.1596 -0.0788 C 0 0 0
- -1.3144 0.6105 -0.0309 C 0 0 0
- 1.0739 1.0938 -0.1051 C 0 0 0
- 0.2912 -1.2287 -0.0944 C 0 0 0
- -2.3752 -0.3226 -0.0013 C 0 0 0
- -1.5852 1.9978 -0.0132 C 0 0 0
- 2.4618 0.5941 -0.1499 C 0 0 0
- 0.7920 2.4563 -0.0868 C 0 0 0
- 1.6833 -1.6860 -0.1553 C 0 0 0
- -0.7669 -2.1372 -0.0553 C 0 0 0
- -3.7100 0.1442 0.0448 C 0 0 0
- -2.0837 -1.6934 -0.0178 C 0 0 0
- -0.5252 2.9081 -0.0419 C 0 0 0
- -2.9777 2.4395 0.0346 C 0 0 0
- 2.7060 -0.7939 -0.1946 C 0 0 0
- 3.5463 1.4953 -0.1652 C 0 0 0
- -3.9875 1.4972 0.0620 C 0 0 0
- -4.8264 -0.8326 0.0756 N 0 3 0
- 4.1259 -1.2931 -0.2977 C 0 0 2
- 4.7955 1.0691 0.1023 C 0 0 0
- -5.7857 -0.6845 -0.6603 O 0 0 0
- -4.7768 -1.9370 0.9605 O 0 5 0
- 5.0586 -0.3644 0.4776 C 0 0 1
- 4.5206 -1.3266 -1.6707 O 0 0 0
- 4.8444 -0.5366 1.8800 O 0 0 0
- 1.5807 3.1511 0.0000 H 0 0 0
- 1.8921 -2.7161 0.0000 H 0 0 0
- -0.5661 -3.1689 0.0000 H 0 0 0
- -2.8686 -2.3925 0.0000 H 0 0 0
- -0.7233 3.9404 0.0000 H 0 0 0
- -3.2090 3.4648 0.0000 H 0 0 0
- 3.3558 2.5290 0.0000 H 0 0 0
- -4.9889 1.8167 0.0000 H 0 0 0
- 3.9054 -2.3208 0.0000 H 0 0 0
- 5.5914 1.7556 0.0000 H 0 0 0
- 6.0618 -0.6780 0.0000 H 0 0 0
- 5.5679 -1.4155 0.0000 H 0 0 0
- 4.0252 -1.1952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 19 24 1 0
- 23 25 1 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 23 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 23 36 1 0
- 24 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54954-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- -0.8660 -1.2034 -0.5828 C 0 0 0
- -2.0377 -1.6906 0.0177 C 0 0 0
- 0.3062 -1.9677 -0.6131 C 0 0 0
- -0.8971 0.1547 -1.1625 C 0 0 0
- -3.2018 -1.0324 0.0082 O 0 0 0
- -1.9849 -2.9382 0.6393 C 0 0 0
- 1.4128 -1.4971 -1.2414 O 0 0 0
- 0.3279 -3.2063 0.0019 C 0 0 0
- -2.0627 0.9611 -0.7384 C 0 0 0
- -0.0409 0.5728 -1.9212 O 0 0 0
- -3.1482 0.2946 -0.1548 C 0 0 0
- -0.8174 -3.6806 0.6319 C 0 0 0
- 2.1582 -0.7611 -0.2694 C 0 0 2
- -2.0736 2.3483 -0.9127 C 0 0 0
- -4.2365 1.0648 0.2769 C 0 0 0
- -0.7896 -4.8894 1.2485 O 0 0 0
- 1.3966 0.3657 0.1602 O 0 0 0
- 3.4769 -0.2905 -0.8871 C 0 0 1
- -3.1653 3.0826 -0.4812 C 0 0 0
- -1.0204 2.9714 -1.5009 O 0 0 0
- -4.2357 2.4356 0.1135 C 0 0 0
- -5.3036 0.4561 0.8618 O 0 0 0
- 2.0908 0.9646 1.2528 C 0 0 1
- 4.2837 0.4659 0.1744 C 0 0 2
- 4.2239 -1.4232 -1.3354 O 0 0 0
- 3.4040 1.5765 0.7598 C 0 0 2
- 1.2193 2.0589 1.8725 C 0 0 0
- 5.4419 1.0446 -0.4304 O 0 0 0
- 4.0827 2.1940 1.8553 O 0 0 0
- -0.0029 1.4859 2.3414 O 0 0 0
- -2.8396 -3.4314 0.0000 H 0 0 0
- 1.1531 -3.7473 0.0000 H 0 0 0
- 2.6831 -1.5967 0.0000 H 0 0 0
- -0.7669 -5.8759 0.0000 H 0 0 0
- 2.9628 0.5518 0.0000 H 0 0 0
- -3.1414 4.0691 0.0000 H 0 0 0
- -0.1711 3.4738 0.0000 H 0 0 0
- -5.0950 2.9206 0.0000 H 0 0 0
- -6.1607 -0.0328 0.0000 H 0 0 0
- 2.6266 0.1360 0.0000 H 0 0 0
- 4.8476 -0.3439 0.0000 H 0 0 0
- 4.7672 -2.2470 0.0000 H 0 0 0
- 2.8574 2.3980 0.0000 H 0 0 0
- 2.0368 2.6116 0.0000 H 0 0 0
- 0.7320 2.9170 0.0000 H 0 0 0
- 6.3246 1.4856 0.0000 H 0 0 0
- 4.8126 2.8581 0.0000 H 0 0 0
- -0.8963 1.0670 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 13 7 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 2 0
- 14 20 1 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 18 24 1 0
- 18 25 1 0
- 23 26 1 0
- 23 27 1 0
- 24 28 1 0
- 26 29 1 0
- 27 30 1 0
- 8 12 1 0
- 9 11 2 0
- 19 21 1 0
- 24 26 1 0
- 6 31 1 0
- 8 32 1 0
- 13 33 1 0
- 16 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
- 25 42 1 0
- 26 43 1 0
- 27 44 1 0
- 27 45 1 0
- 28 46 1 0
- 29 47 1 0
- 30 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136-85-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.6551 0.7493 0.0026 C 0 0 0
- 0.4181 -0.6362 -0.0001 C 0 0 0
- 2.0212 0.9022 0.0022 N 0 0 0
- -0.4166 1.6358 -0.0001 C 0 0 0
- -0.9032 -1.1032 -0.0003 C 0 0 0
- 1.6150 -1.2561 -0.0020 N 0 0 0
- 2.5665 -0.3903 -0.0007 N 0 0 0
- -1.6959 1.1550 -0.0053 C 0 0 0
- -1.9368 -0.2130 0.0020 C 0 0 0
- -3.3561 -0.7195 0.0017 C 0 0 0
- 2.5479 1.8010 0.0000 H 0 0 0
- -0.2447 2.6633 0.0000 H 0 0 0
- -1.0955 -2.1271 0.0000 H 0 0 0
- -2.4975 1.8204 0.0000 H 0 0 0
- -3.7062 0.2617 0.0000 H 0 0 0
- -4.3373 -1.0696 0.0000 H 0 0 0
- -3.0060 -1.7007 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 2 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22089-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- -0.2376 0.2745 -1.0297 P 0 0 1
- -0.8914 -0.4352 0.3492 N 0 0 0
- 1.4267 0.4672 -0.9129 N 0 0 0
- -0.1920 -0.7441 -2.2698 O 0 0 0
- -0.9223 1.5412 -1.3717 O 0 0 0
- -2.3353 -0.1665 0.3180 C 0 0 0
- -0.7287 -1.8869 0.1944 C 0 0 0
- 1.8597 1.2383 -2.0827 C 0 0 0
- 1.6722 1.3116 0.2638 C 0 0 0
- 0.1621 0.0028 -3.4307 C 0 0 0
- -2.6460 1.0528 1.1883 C 0 0 0
- 0.3690 -2.3807 1.1389 C 0 0 0
- 1.6334 0.4139 -3.3518 C 0 0 0
- 3.0264 0.9500 0.8774 C 0 0 0
- -4.4182 1.3826 1.1501 Cl 0 0 0
- 0.5687 -4.1625 0.9490 Cl 0 0 0
- 3.3278 1.9864 2.3216 Cl 0 0 0
- -3.2738 -0.2654 0.0000 H 0 0 0
- -2.3726 -1.1095 0.0000 H 0 0 0
- -1.6703 -1.8242 0.0000 H 0 0 0
- -0.9572 -2.8025 0.0000 H 0 0 0
- 2.7891 1.4021 0.0000 H 0 0 0
- 1.3138 2.0081 0.0000 H 0 0 0
- 1.9223 2.2215 0.0000 H 0 0 0
- 0.7641 1.5684 0.0000 H 0 0 0
- 0.1300 0.9459 0.0000 H 0 0 0
- -0.7620 0.1943 0.0000 H 0 0 0
- -1.7075 1.1517 0.0000 H 0 0 0
- -2.6087 1.9958 0.0000 H 0 0 0
- 1.3106 -2.4434 0.0000 H 0 0 0
- 0.5975 -1.4651 0.0000 H 0 0 0
- 1.7204 -0.5258 0.0000 H 0 0 0
- 2.5735 0.3312 0.0000 H 0 0 0
- 2.7762 0.0401 0.0000 H 0 0 0
- 3.9345 0.6932 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 10 13 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3531-19-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.9026 -0.7904 -0.0003 C 0 0 0
- -0.4082 -1.2264 0.0245 C 0 0 0
- 1.1800 0.5697 -0.0270 C 0 0 0
- 2.0102 -1.7724 0.0077 N 0 3 0
- -1.4436 -0.3103 0.0229 C 0 0 0
- 0.1368 1.4887 -0.0286 C 0 0 0
- 2.5048 1.0140 -0.0516 N 0 0 0
- 2.0575 -2.6439 -0.8418 O 0 0 0
- 2.8742 -1.7088 0.8638 O 0 5 0
- -1.1717 1.0456 -0.0041 C 0 0 0
- -2.8465 -0.7816 0.0495 N 0 3 0
- 0.4776 3.1906 -0.0624 Cl 0 0 0
- -3.7598 0.0242 0.0481 O 0 0 0
- -3.0876 -1.9753 0.0729 O 0 5 0
- -0.6159 -2.2424 0.0000 H 0 0 0
- 3.2820 0.3274 0.0000 H 0 0 0
- 2.7108 2.0303 0.0000 H 0 0 0
- -1.9506 1.7302 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96383-86-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.2496 0.7311 -0.1652 C 0 0 0
- -0.6478 -0.3536 -0.0497 C 0 0 0
- 1.6358 0.4700 -0.2093 C 0 0 0
- -0.2470 2.0494 -0.2402 C 0 0 0
- -2.0867 -0.0749 -0.0067 C 0 0 0
- -0.1570 -1.6591 0.0200 C 0 0 0
- 2.0950 -0.8400 -0.1398 C 0 0 0
- 2.6104 1.5704 -0.3280 C 0 0 0
- -1.5715 2.3073 -0.2059 C 0 0 0
- -2.5216 1.2678 -0.0822 C 0 0 0
- -3.0241 -1.1024 0.1058 C 0 0 0
- 1.1996 -1.8919 -0.0253 C 0 0 0
- 3.5776 -1.1045 -0.1913 C 0 0 2
- 3.8774 1.3614 0.0084 C 0 0 0
- -3.8954 1.5484 -0.0432 C 0 0 0
- -4.3699 -0.7954 0.1417 C 0 0 0
- 4.3298 0.0205 0.5168 C 0 0 1
- 4.0015 -1.1767 -1.5541 O 0 0 0
- -4.7952 0.5312 0.0670 C 0 0 0
- -5.2865 -1.7925 0.2512 O 0 0 0
- 4.0929 -0.0601 1.9237 O 0 0 0
- 0.4267 2.8469 0.0000 H 0 0 0
- -0.8220 -2.4639 0.0000 H 0 0 0
- 2.2610 2.5542 0.0000 H 0 0 0
- -1.8989 3.2986 0.0000 H 0 0 0
- -2.7121 -2.0987 0.0000 H 0 0 0
- 1.5554 -2.8734 0.0000 H 0 0 0
- 3.3983 -2.1330 0.0000 H 0 0 0
- 4.5535 2.1569 0.0000 H 0 0 0
- -4.2263 2.5386 0.0000 H 0 0 0
- 5.3647 -0.1169 0.0000 H 0 0 0
- 5.0307 -1.3520 0.0000 H 0 0 0
- -5.8169 0.7458 0.0000 H 0 0 0
- -5.9930 -2.5611 0.0000 H 0 0 0
- 3.1046 -0.3964 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 19 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-07-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.6661 -0.2085 0.0000 C 0 0 0
- -0.6432 0.5830 0.0000 C 0 0 0
- 1.8488 0.7621 0.0000 C 0 0 0
- -1.8259 -0.3876 0.0000 C 0 0 0
- 3.1385 -0.0176 0.0000 C 0 0 0
- -3.1353 0.4039 0.0000 C 0 0 0
- 4.3142 0.6300 0.0000 O 0 0 0
- 3.1141 -1.2256 0.0000 O 0 0 0
- -4.3179 -0.5667 0.0000 C 0 0 0
- -5.6273 0.2248 0.0000 C 0 0 0
- -0.0347 -1.1171 0.0000 H 0 0 0
- 1.4896 -1.0075 0.0000 H 0 0 0
- 0.0576 1.4916 0.0000 H 0 0 0
- -1.4667 1.3820 0.0000 H 0 0 0
- 2.5496 1.6707 0.0000 H 0 0 0
- 1.0253 1.5611 0.0000 H 0 0 0
- -2.5267 -1.2962 0.0000 H 0 0 0
- -1.0024 -1.1866 0.0000 H 0 0 0
- -2.4345 1.3125 0.0000 H 0 0 0
- -3.9589 1.2029 0.0000 H 0 0 0
- 5.3193 1.1836 0.0000 H 0 0 0
- -5.0187 -1.4753 0.0000 H 0 0 0
- -3.4943 -1.3657 0.0000 H 0 0 0
- -5.0337 1.2068 0.0000 H 0 0 0
- -6.6093 0.8184 0.0000 H 0 0 0
- -6.2209 -0.7572 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 5 8 2 0
- 6 9 1 0
- 9 10 1 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27451-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 1.3670 -0.4263 0.2918 N 0 0 0
- -0.0124 -0.2289 0.1647 C 0 0 0
- 2.2265 0.3914 -0.3477 C 0 0 0
- 1.8599 -1.4816 1.0971 O 0 0 0
- -0.7952 -1.1794 -0.4778 C 0 0 0
- -0.6024 0.9150 0.6857 C 0 0 0
- 2.5801 0.1337 -1.7898 C 0 0 0
- 2.7155 1.3346 0.2374 O 0 0 0
- -2.1563 -0.9815 -0.6017 C 0 0 0
- -1.9644 1.1070 0.5586 C 0 0 0
- -2.7401 0.1616 -0.0866 C 0 0 0
- -4.2257 0.3743 -0.2236 C 0 0 0
- 2.2590 -2.3361 0.0000 H 0 0 0
- -0.4553 -2.0591 0.0000 H 0 0 0
- -0.0565 1.6840 0.0000 H 0 0 0
- 2.0246 -0.6285 0.0000 H 0 0 0
- 3.3423 -0.4218 0.0000 H 0 0 0
- 3.1356 0.8959 0.0000 H 0 0 0
- -2.7054 -1.7482 0.0000 H 0 0 0
- -2.3070 1.9856 0.0000 H 0 0 0
- -4.0920 1.3079 0.0000 H 0 0 0
- -5.1593 0.5080 0.0000 H 0 0 0
- -4.3594 -0.5593 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 5 9 2 0
- 6 10 1 0
- 9 11 1 0
- 11 12 1 0
- 10 11 2 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5307-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.3767 -0.4262 -0.0008 O 0 0 0
- -2.4749 -1.8519 -0.0033 C 0 0 0
- -1.0508 -0.1235 -0.0015 C 0 0 0
- -0.6394 1.2072 0.0006 C 0 0 0
- -0.1081 -1.1379 0.0016 C 0 0 0
- -1.5926 2.2365 0.0038 N 0 0 0
- 0.7130 1.5141 -0.0001 C 0 0 0
- 1.2450 -0.8266 0.0009 C 0 0 0
- 1.6527 0.5007 -0.0028 C 0 0 0
- 2.1986 -1.8514 0.0045 N 0 0 0
- 3.1218 0.8366 -0.0040 C 0 0 0
- -3.5138 -1.7803 0.0000 H 0 0 0
- -2.5465 -2.8908 0.0000 H 0 0 0
- -1.4360 -1.9235 0.0000 H 0 0 0
- -0.4138 -2.1334 0.0000 H 0 0 0
- -1.2847 3.2313 0.0000 H 0 0 0
- -2.6081 2.0058 0.0000 H 0 0 0
- 1.0207 2.5090 0.0000 H 0 0 0
- 1.8931 -2.8469 0.0000 H 0 0 0
- 3.2135 -1.6182 0.0000 H 0 0 0
- 3.3539 -0.1786 0.0000 H 0 0 0
- 4.1370 1.0687 0.0000 H 0 0 0
- 2.8897 1.8518 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 7 2 0
- 10 8 1 0
- 11 9 1 0
- 8 9 1 0
- 2 12 1 0
- 2 13 1 0
- 2 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-76-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.2491 -0.1324 0.0040 C 0 0 0
- 0.5552 -1.2756 0.0037 C 0 0 0
- 0.3431 1.1341 0.0018 C 0 0 0
- -1.7181 -0.2619 0.0004 C 0 0 0
- 1.9264 -1.1503 0.0013 C 0 0 0
- 1.7147 1.2504 -0.0006 C 0 0 0
- -2.4916 0.8414 0.0007 O 0 0 0
- -2.2309 -1.3634 -0.0027 O 0 0 0
- 2.5110 0.1108 -0.0008 C 0 0 0
- -3.9380 0.7140 -0.0028 C 0 0 0
- 3.8628 0.2298 -0.0032 O 0 0 0
- 0.1175 -2.2218 0.0000 H 0 0 0
- -0.2533 1.9892 0.0000 H 0 0 0
- 2.5270 -2.0024 0.0000 H 0 0 0
- 2.1570 2.1944 0.0000 H 0 0 0
- -4.0295 1.7525 0.0000 H 0 0 0
- -4.9765 0.6225 0.0000 H 0 0 0
- -3.8465 -0.3245 0.0000 H 0 0 0
- 4.9013 0.3212 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60129-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- 2.2880 -0.1748 -0.0727 C 0 0 0
- 3.1814 0.8155 0.3452 C 0 0 0
- 2.7794 -1.3830 -0.5740 C 0 0 0
- 0.9399 0.0354 0.0138 N 0 0 0
- 4.5398 0.5941 0.2602 C 0 0 0
- 2.6706 2.0989 0.8772 N 0 3 0
- 4.1408 -1.5902 -0.6530 C 0 0 0
- 0.1181 -0.8807 -0.3728 N 0 0 0
- 5.0192 -0.6052 -0.2374 C 0 0 0
- 3.4505 2.9609 1.2409 O 0 0 0
- 1.4705 2.2930 0.9512 O 0 5 0
- -1.2273 -0.6709 -0.2864 C 0 0 0
- 6.4788 -0.8351 -0.3254 N 0 3 0
- -2.1201 -1.6633 -0.7051 C 0 0 0
- -1.7177 0.5352 0.2266 C 0 0 0
- 6.9039 -1.8894 -0.7628 O 0 0 0
- 7.2547 0.0299 0.0396 O 0 5 0
- -3.4768 -1.4478 -0.6165 C 0 0 0
- -3.0753 0.7430 0.3120 C 0 0 0
- -3.9606 -0.2447 -0.1110 C 0 0 0
- -5.3336 -0.0305 -0.0230 N 0 0 0
- -5.9928 -0.0321 1.2854 C 0 0 0
- -6.1191 0.1963 -1.2386 C 0 0 0
- -6.2510 -1.4748 1.7246 C 0 0 0
- -5.9981 1.6629 -1.6577 C 0 0 0
- -5.0543 -2.0256 2.2782 O 0 0 0
- -4.7888 1.8491 -2.3958 O 0 0 0
- 2.1649 -2.1622 0.0000 H 0 0 0
- 5.1607 1.3682 0.0000 H 0 0 0
- 4.4771 -2.5238 0.0000 H 0 0 0
- -1.7889 -2.5987 0.0000 H 0 0 0
- -1.1029 1.3141 0.0000 H 0 0 0
- -4.0953 -2.2237 0.0000 H 0 0 0
- -3.4100 1.6772 0.0000 H 0 0 0
- -5.9359 0.9586 0.0000 H 0 0 0
- -6.9783 0.0840 0.0000 H 0 0 0
- -7.1005 0.3432 0.0000 H 0 0 0
- -6.3306 -0.7732 0.0000 H 0 0 0
- -7.2095 -1.2179 0.0000 H 0 0 0
- -6.5881 -2.4081 0.0000 H 0 0 0
- -6.0719 2.6525 0.0000 H 0 0 0
- -6.9904 1.6668 0.0000 H 0 0 0
- -4.1529 -2.4405 0.0000 H 0 0 0
- -3.8080 2.0001 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 12 14 2 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 2 0
- 18 20 2 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 7 9 2 0
- 19 20 1 0
- 3 28 1 0
- 5 29 1 0
- 7 30 1 0
- 14 31 1 0
- 15 32 1 0
- 18 33 1 0
- 19 34 1 0
- 22 35 1 0
- 22 36 1 0
- 23 37 1 0
- 23 38 1 0
- 24 39 1 0
- 24 40 1 0
- 25 41 1 0
- 25 42 1 0
- 26 43 1 0
- 27 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7269-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.6249 0.6443 -0.0020 C 0 0 0
- -1.3245 -0.5734 -0.0021 C 0 0 0
- 0.7805 0.6055 -0.0008 C 0 0 0
- -1.5491 1.6363 0.0021 N 0 0 0
- -0.6406 -1.7135 -0.0007 N 0 0 0
- -2.6565 -0.2449 -0.0030 N 0 0 0
- 1.3833 -0.5779 0.0003 N 0 0 0
- 1.5197 1.7751 -0.0011 N 0 0 0
- -2.7418 1.1168 0.0045 C 0 0 0
- 0.6823 -1.7048 0.0007 C 0 0 0
- 2.9346 1.7184 0.0002 O 0 0 0
- 1.3591 -2.9134 0.0021 N 0 0 0
- -3.4419 -0.9008 0.0000 H 0 0 0
- 1.0439 2.6811 0.0000 H 0 0 0
- -3.6149 1.6505 0.0000 H 0 0 0
- 3.9571 1.6774 0.0000 H 0 0 0
- 0.8359 -3.7928 0.0000 H 0 0 0
- 2.3823 -2.9268 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 10 12 1 0
- 6 9 1 0
- 7 10 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0519 0.0000 0.4023 N 0 0 0
- 0.7279 -1.1785 -0.1564 C 0 0 0
- 0.7276 1.1787 -0.1564 C 0 0 0
- -1.2996 -0.0002 -0.1341 N 0 0 0
- -0.1560 -1.6855 0.0000 H 0 0 0
- 1.2349 -2.0624 0.0000 H 0 0 0
- 1.6118 -0.6715 0.0000 H 0 0 0
- 1.6116 0.6719 0.0000 H 0 0 0
- 1.2344 2.0627 0.0000 H 0 0 0
- -0.1564 1.6855 0.0000 H 0 0 0
- -1.8092 0.8822 0.0000 H 0 0 0
- -1.8090 -0.8827 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-885-11-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.1155 -0.1780 -0.0072 N 0 0 0
- -1.5004 0.0166 -0.0021 C 0 0 0
- 0.8125 0.8012 -0.0194 C 0 0 0
- 0.5288 -1.4172 0.0055 N 0 0 0
- -2.1964 0.0956 -1.2012 C 0 0 0
- -2.1835 0.1257 1.2025 C 0 0 0
- 2.1299 0.1234 -0.0195 C 0 0 0
- 0.6086 1.9998 -0.0289 O 0 0 0
- 1.8534 -1.2559 -0.0032 C 0 0 0
- -0.1543 -2.7130 0.0257 C 0 0 0
- -3.5642 0.2879 -1.1926 C 0 0 0
- -3.5509 0.3179 1.2041 C 0 0 0
- 3.3217 0.6974 -0.0299 N 0 0 0
- 2.8775 -2.3615 0.0060 C 0 0 0
- -4.2404 0.4018 0.0081 C 0 0 0
- 3.4147 1.9092 0.0502 O 0 0 0
- -2.3239 -0.9081 0.0000 H 0 0 0
- -2.0333 1.1263 0.0000 H 0 0 0
- -1.0494 -2.2412 0.0000 H 0 0 0
- -0.6261 -3.6081 0.0000 H 0 0 0
- 0.7408 -3.1848 0.0000 H 0 0 0
- -3.7187 -0.7120 0.0000 H 0 0 0
- -3.4194 1.3211 0.0000 H 0 0 0
- 2.1352 -3.0491 0.0000 H 0 0 0
- 3.5651 -3.1038 0.0000 H 0 0 0
- 3.6198 -1.6739 0.0000 H 0 0 0
- -5.2417 0.5470 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 2 0
- 7 9 2 0
- 12 15 1 0
- 5 17 1 0
- 6 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-154-93-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.0068 -0.7028 -0.1936 N 0 0 0
- -0.0986 0.0574 -0.3221 C 0 0 0
- 2.3166 -0.1589 -0.5609 C 0 0 0
- 0.9123 -1.9076 0.2578 N 0 0 0
- -1.3036 -0.4430 0.0158 N 0 0 0
- -0.0089 1.1937 -0.7425 O 0 0 0
- 2.9491 0.5149 0.6584 C 0 0 0
- 1.7055 -2.7578 -0.1048 O 0 0 0
- -2.5052 0.3833 -0.1239 C 0 0 0
- 4.5611 1.1842 0.2064 Cl 0 0 0
- -3.7296 -0.4172 0.3245 C 0 0 0
- -5.2084 0.5998 0.1526 Cl 0 0 0
- 2.3278 -1.1650 0.0000 H 0 0 0
- 3.2542 -0.5240 0.0000 H 0 0 0
- -1.4085 -1.4437 0.0000 H 0 0 0
- 2.9379 1.5210 0.0000 H 0 0 0
- 2.0115 0.8800 0.0000 H 0 0 0
- -1.8326 1.1316 0.0000 H 0 0 0
- -3.1602 1.1471 0.0000 H 0 0 0
- -4.4022 -1.1655 0.0000 H 0 0 0
- -3.0746 -1.1810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-499-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- -0.6008 -0.4420 0.3060 C 0 0 0
- -0.0137 0.7611 0.9981 C 0 0 0
- 0.1984 -1.4477 -0.0858 C 0 0 0
- -2.0546 -0.5177 0.0644 C 0 0 0
- 0.3640 1.7970 -0.0293 C 0 0 0
- 1.6638 -1.3095 0.0193 C 0 0 0
- -2.5796 -1.5935 -0.5544 O 0 0 0
- -2.7779 0.3895 0.4233 O 0 0 0
- 0.9096 2.9601 0.3595 O 0 0 0
- 0.1757 1.5804 -1.2030 O 0 0 0
- 2.3824 -0.9197 -1.0520 O 0 0 0
- 2.2222 -1.5470 1.0713 O 0 0 0
- 0.5138 0.0346 0.0000 H 0 0 0
- 0.8754 0.8857 0.0000 H 0 0 0
- -0.1534 -2.2737 0.0000 H 0 0 0
- -2.9734 -2.4004 0.0000 H 0 0 0
- 1.2909 3.7729 0.0000 H 0 0 0
- 3.1716 -0.4916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-202-03-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 1.0655 -0.0829 -0.0023 C 0 0 0
- -0.0473 -1.0333 -0.0023 C 0 0 0
- 0.9636 1.2028 -0.0014 C 0 0 0
- 2.3126 -0.8453 0.0030 C 0 0 0
- -1.2507 -0.5162 -0.0011 C 0 0 0
- 0.5828 -2.3592 -0.0038 C 0 0 0
- -0.3902 1.7811 0.0011 C 0 0 0
- 2.2114 1.9828 -0.0025 C 0 0 0
- 1.9013 -2.2543 0.0047 C 0 0 0
- 3.4276 -0.1486 0.0039 C 0 0 0
- -1.4217 0.9547 0.0008 C 0 0 0
- -2.4572 -1.3604 -0.0021 C 0 0 0
- 3.3613 1.3273 -0.0027 C 0 0 0
- -2.7972 1.4882 0.0028 C 0 0 0
- -3.6448 -0.7967 -0.0005 C 0 0 0
- -3.8170 0.6601 0.0023 C 0 0 0
- 0.0337 -3.3096 0.0000 H 0 0 0
- -0.5389 2.8685 0.0000 H 0 0 0
- 2.1891 3.0801 0.0000 H 0 0 0
- 2.5941 -3.1056 0.0000 H 0 0 0
- 4.3992 -0.6590 0.0000 H 0 0 0
- -2.3655 -2.4541 0.0000 H 0 0 0
- 4.2977 1.8998 0.0000 H 0 0 0
- -2.9677 2.5724 0.0000 H 0 0 0
- -4.5364 -1.4368 0.0000 H 0 0 0
- -4.8340 1.0729 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 8 13 2 0
- 11 14 1 0
- 12 15 2 0
- 14 16 2 0
- 6 9 2 0
- 7 11 2 0
- 10 13 1 0
- 15 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24463-15-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.0037 -0.2891 -0.0020 C 0 0 0
- -1.2496 0.0989 -0.0014 C 0 0 0
- 1.0844 0.7068 -0.0007 C 0 0 0
- 0.3349 -1.7236 0.0022 C 0 0 0
- -1.5798 1.5365 0.0005 C 0 0 0
- -2.3429 -0.8897 -0.0022 C 0 0 0
- 2.4697 0.2047 -0.0008 C 0 0 0
- 0.7959 1.9864 0.0000 C 0 0 0
- -0.7522 -2.7170 0.0060 C 0 0 0
- 1.5979 -2.0804 0.0021 C 0 0 0
- -0.6156 2.4260 0.0015 C 0 0 0
- -3.0051 1.9098 0.0017 C 0 0 0
- -2.0120 -2.3246 -0.0048 C 0 0 0
- -3.5850 -0.4662 -0.0010 C 0 0 0
- 2.6852 -1.0934 -0.0020 C 0 0 0
- 3.6282 1.1685 0.0001 C 0 0 0
- -3.9197 0.9637 0.0010 C 0 0 0
- 4.8560 0.4373 -0.0002 O 0 0 0
- 1.6053 2.7334 0.0000 H 0 0 0
- -0.5127 -3.7921 0.0000 H 0 0 0
- 1.8499 -3.1526 0.0000 H 0 0 0
- -0.8577 3.5005 0.0000 H 0 0 0
- -3.3022 2.9704 0.0000 H 0 0 0
- -2.8196 -3.0735 0.0000 H 0 0 0
- -4.4013 -1.2057 0.0000 H 0 0 0
- 3.7255 -1.4551 0.0000 H 0 0 0
- 4.2951 2.0451 0.0000 H 0 0 0
- 2.8326 1.9302 0.0000 H 0 0 0
- -4.9814 1.2567 0.0000 H 0 0 0
- 5.8023 -0.1263 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 1 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63018-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.9728 0.5593 -0.0039 C 0 0 0
- -0.8335 -0.9008 -0.0026 C 0 0 0
- 0.1593 1.3717 -0.0030 C 0 0 0
- -2.2698 1.1167 -0.0001 C 0 0 0
- 0.4319 -1.4844 -0.0006 C 0 0 0
- -2.0015 -1.6935 -0.0031 C 0 0 0
- 1.4250 0.7880 -0.0010 C 0 0 0
- 0.0161 2.8719 -0.0048 C 0 0 0
- -3.3512 0.2964 0.0047 C 0 0 0
- 1.5643 -0.6718 0.0002 C 0 0 0
- 0.5750 -2.9846 0.0012 C 0 0 0
- -3.2187 -1.0927 -0.0046 C 0 0 0
- 2.5930 1.5807 0.0009 C 0 0 0
- -4.7313 0.9017 0.0087 C 0 0 0
- 2.8611 -1.2293 0.0018 C 0 0 0
- 3.8102 0.9798 0.0039 C 0 0 0
- 3.9427 -0.4092 0.0022 C 0 0 0
- -2.3967 2.1555 0.0000 H 0 0 0
- -1.9295 -2.7376 0.0000 H 0 0 0
- 1.0579 2.9713 0.0000 H 0 0 0
- -0.0833 3.9137 0.0000 H 0 0 0
- -1.0257 2.7725 0.0000 H 0 0 0
- -0.4668 -3.0840 0.0000 H 0 0 0
- 0.6744 -4.0264 0.0000 H 0 0 0
- 1.6168 -2.8852 0.0000 H 0 0 0
- -4.0803 -1.6868 0.0000 H 0 0 0
- 2.5210 2.6248 0.0000 H 0 0 0
- -4.3109 1.8601 0.0000 H 0 0 0
- -5.6897 1.3221 0.0000 H 0 0 0
- -5.1517 -0.0567 0.0000 H 0 0 0
- 2.9878 -2.2682 0.0000 H 0 0 0
- 4.6718 1.5739 0.0000 H 0 0 0
- 4.9011 -0.8297 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 13 16 2 0
- 15 17 2 0
- 7 10 2 0
- 9 12 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-96-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.1752 0.0166 0.0032 C 0 0 0
- 0.5593 -1.1686 0.0029 C 0 0 0
- 0.4575 1.1865 0.0008 N 0 0 0
- -1.6561 -0.0271 0.0001 C 0 0 0
- 1.8794 -1.1245 0.0002 N 0 0 0
- 1.7750 1.2215 -0.0018 C 0 0 0
- -2.3641 1.1197 0.0004 N 0 0 0
- -2.2324 -1.0969 -0.0028 O 0 0 0
- 2.5029 0.0405 -0.0022 C 0 0 0
- 0.0887 -2.0481 0.0000 H 0 0 0
- 2.2497 2.0988 0.0000 H 0 0 0
- -1.8910 1.9979 0.0000 H 0 0 0
- -3.3612 1.0903 0.0000 H 0 0 0
- 3.5000 0.0709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125239-65-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.5951 0.4821 -0.0052 C 0 0 0
- -0.5639 -0.9863 -0.0014 C 0 0 0
- 0.5393 1.1747 -0.0056 N 0 0 0
- -1.8445 1.1370 -0.0024 C 0 0 0
- 0.5988 -1.6306 0.0016 N 0 0 0
- -1.7839 -1.6929 -0.0005 C 0 0 0
- 1.7029 0.5291 -0.0025 C 0 0 0
- -2.9897 0.4027 0.0036 C 0 0 0
- 1.7333 -0.9384 0.0012 C 0 0 0
- -2.9607 -1.0058 -0.0032 C 0 0 0
- 2.9227 1.2327 -0.0024 C 0 0 0
- -4.1881 1.0420 0.0067 O 0 0 0
- 2.9844 -1.5934 0.0039 C 0 0 0
- -4.1627 -1.7124 -0.0029 N 0 0 0
- 4.0994 0.5409 0.0012 C 0 0 0
- -3.9087 2.4434 0.0024 C 0 0 0
- 4.1256 -0.8614 0.0029 C 0 0 0
- 5.3027 1.2443 0.0013 N 0 0 0
- -1.8902 2.1815 0.0000 H 0 0 0
- -1.7857 -2.7384 0.0000 H 0 0 0
- 2.9270 2.2782 0.0000 H 0 0 0
- 3.0304 -2.6379 0.0000 H 0 0 0
- -5.0722 -1.1967 0.0000 H 0 0 0
- -4.1545 -2.7579 0.0000 H 0 0 0
- -2.8833 2.2390 0.0000 H 0 0 0
- -3.7043 3.4688 0.0000 H 0 0 0
- -4.9341 2.6478 0.0000 H 0 0 0
- 5.0477 -1.3543 0.0000 H 0 0 0
- 6.2110 0.7264 0.0000 H 0 0 0
- 5.2971 2.2898 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 15 18 1 0
- 7 9 1 0
- 8 10 1 0
- 15 17 1 0
- 4 19 1 0
- 6 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3132-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -1.5635 -0.0677 -0.5013 C 0 0 0
- -2.9522 -0.5780 -0.1113 C 0 0 0
- -2.5057 0.7421 0.2048 O 0 0 0
- -0.5250 -0.6149 0.4800 C 0 0 0
- 1.2594 0.0409 -0.0211 Br 0 0 0
- -0.9755 0.7964 0.0000 H 0 0 0
- -3.9921 -0.4736 0.0000 H 0 0 0
- -2.8208 -1.6149 0.0000 H 0 0 0
- -1.2216 -1.3941 0.0000 H 0 0 0
- 0.0623 -1.4794 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5168 0.0142 -0.0018 N 0 0 0
- -0.5976 -0.6355 -0.0011 N 0 0 0
- 0.5106 1.4791 0.0002 C 0 0 0
- 1.7886 -0.7130 0.0015 C 0 0 0
- -1.6550 -0.0310 0.0012 O 0 0 0
- 1.5437 1.4835 0.0000 H 0 0 0
- 0.5062 2.5122 0.0000 H 0 0 0
- -0.5225 1.4747 0.0000 H 0 0 0
- 1.2758 -1.6098 0.0000 H 0 0 0
- 2.6854 -1.2258 0.0000 H 0 0 0
- 2.3014 0.1838 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-59-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.5033 -1.1776 -0.1115 N 0 0 0
- -0.5659 -1.1114 -1.1108 C 0 0 0
- 0.5995 -2.3339 0.7829 C 0 0 0
- 1.4344 -0.1409 -0.0152 C 0 0 0
- -1.7121 -0.2981 -0.5670 C 0 0 0
- 1.8091 -3.1839 0.3891 C 0 0 0
- 1.4279 0.7001 1.0902 C 0 0 0
- 2.3727 0.0478 -1.0222 C 0 0 0
- -1.6843 1.0809 -0.6556 C 0 0 0
- -2.7942 -0.9317 0.0155 C 0 0 0
- 2.3504 1.7240 1.1824 C 0 0 0
- 3.2921 1.0734 -0.9237 C 0 0 0
- -2.7358 1.8270 -0.1566 C 0 0 0
- -3.8454 -0.1858 0.5143 C 0 0 0
- 3.2795 1.9123 0.1759 C 0 0 0
- -3.8149 1.1939 0.4308 C 0 0 0
- -1.3554 -1.6693 0.0000 H 0 0 0
- -0.3018 -2.0413 0.0000 H 0 0 0
- -0.3565 -2.1905 0.0000 H 0 0 0
- 0.2403 -3.2314 0.0000 H 0 0 0
- 1.2533 -3.9749 0.0000 H 0 0 0
- 2.6001 -3.7397 0.0000 H 0 0 0
- 2.3649 -2.3929 0.0000 H 0 0 0
- 0.5241 1.0432 0.0000 H 0 0 0
- 2.8524 -0.7915 0.0000 H 0 0 0
- -0.8210 1.5159 0.0000 H 0 0 0
- -2.8364 -1.8975 0.0000 H 0 0 0
- 1.8711 2.5636 0.0000 H 0 0 0
- 4.1975 0.7347 0.0000 H 0 0 0
- -2.6940 2.7928 0.0000 H 0 0 0
- -4.7091 -0.6200 0.0000 H 0 0 0
- 3.8858 2.6653 0.0000 H 0 0 0
- -4.6484 1.6836 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 2 0
- 10 5 1 0
- 11 7 1 0
- 12 8 2 0
- 13 9 1 0
- 14 10 2 0
- 15 11 2 0
- 16 13 2 0
- 12 15 1 0
- 14 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 6 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-528-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.2875 0.7427 0.0489 C 0 0 0
- 0.5006 -0.6206 -0.0313 C 0 0 0
- 1.3639 1.6083 0.1092 C 0 0 0
- -1.0931 1.2764 0.0640 N 0 3 0
- 1.7901 -1.1187 -0.0511 C 0 0 0
- -0.6518 -1.5472 -0.0953 N 0 3 0
- 2.6531 1.1103 0.0894 C 0 0 0
- -1.4219 2.1374 -0.7322 O 0 0 0
- -1.9003 0.8544 0.8726 O 0 5 0
- 2.8662 -0.2534 0.0087 C 0 0 0
- -0.4700 -2.7502 -0.0368 O 0 0 0
- -1.7820 -1.1069 -0.2066 O 0 5 0
- 1.2047 2.6314 0.0000 H 0 0 0
- 1.9492 -2.1418 0.0000 H 0 0 0
- 3.4591 1.7602 0.0000 H 0 0 0
- 3.8318 -0.6271 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52101-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 0.7355 0.4159 0.0206 C 0 0 0
- -0.6782 0.2736 -0.0202 C 0 0 0
- 0.9851 1.7852 0.0343 C 0 0 0
- 1.7386 -0.6715 0.0491 C 0 0 0
- -1.2008 1.5305 -0.0288 C 0 0 0
- -1.4383 -1.0002 -0.0486 C 0 0 0
- -0.2046 2.4227 0.0037 O 0 0 0
- 2.2535 2.3969 0.0732 C 0 0 0
- 2.6871 -0.7770 -0.9693 C 0 0 0
- 1.7438 -1.5925 1.0974 C 0 0 0
- -2.6438 1.8583 -0.0677 N 0 3 0
- -2.3432 -1.2974 0.9683 C 0 0 0
- -1.2540 -1.9014 -1.0956 C 0 0 0
- 2.3652 3.8998 0.0837 C 0 0 0
- 3.2574 1.7129 0.0983 O 0 0 0
- 3.6194 -1.7931 -0.9368 C 0 0 0
- 2.6818 -2.6042 1.1181 C 0 0 0
- -3.0041 3.0218 -0.0723 O 0 0 0
- -3.4709 0.9645 -0.0950 O 0 5 0
- -3.0477 -2.4840 0.9368 C 0 0 0
- -1.9636 -3.0847 -1.1170 C 0 0 0
- 3.6156 -2.7066 0.1026 C 0 0 0
- -2.8566 -3.3773 -0.1017 C 0 0 0
- 3.1452 0.1257 0.0000 H 0 0 0
- 0.8024 -1.9648 0.0000 H 0 0 0
- -2.9767 -0.5078 0.0000 H 0 0 0
- -0.2562 -2.0719 0.0000 H 0 0 0
- 3.3747 3.8248 0.0000 H 0 0 0
- 2.4402 4.9093 0.0000 H 0 0 0
- 1.3557 3.9748 0.0000 H 0 0 0
- 4.5635 -1.4279 0.0000 H 0 0 0
- 2.2268 -3.5085 0.0000 H 0 0 0
- -4.0467 -2.3202 0.0000 H 0 0 0
- -1.3321 -3.8759 0.0000 H 0 0 0
- 4.2897 -3.4618 0.0000 H 0 0 0
- -3.3611 -4.2549 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 2 0
- 11 19 1 0
- 12 20 1 0
- 13 21 2 0
- 16 22 1 0
- 20 23 2 0
- 5 7 1 0
- 17 22 2 0
- 21 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 2.0425 -0.7145 0.0000 C 0 0 0
- 0.6287 -1.2364 0.0000 C 0 0 0
- 2.0175 1.0993 0.0000 S 0 0 0
- 2.7707 -1.2146 1.2492 C 0 0 0
- 2.7707 -1.2146 -1.2493 C 0 0 0
- -0.3552 -0.4183 0.0000 N 0 0 0
- 3.7995 1.4388 0.0000 C 0 0 0
- -1.4979 -0.8401 0.0000 O 0 0 0
- -2.5331 0.0206 0.0000 C 0 0 0
- -3.7975 -0.4460 0.0000 N 0 0 0
- -2.3275 1.2183 0.0000 O 0 0 0
- -4.9240 0.4906 0.0000 C 0 0 0
- 0.4579 -2.2315 0.0000 H 0 0 0
- 2.1991 -2.0469 0.0000 H 0 0 0
- 3.6030 -1.7862 0.0000 H 0 0 0
- 3.3423 -0.3823 0.0000 H 0 0 0
- 2.1991 -2.0469 0.0000 H 0 0 0
- 3.6030 -1.7862 0.0000 H 0 0 0
- 3.3423 -0.3823 0.0000 H 0 0 0
- 3.9885 0.4469 0.0000 H 0 0 0
- 4.7914 1.6278 0.0000 H 0 0 0
- 3.6105 2.4307 0.0000 H 0 0 0
- -3.9684 -1.4411 0.0000 H 0 0 0
- -4.2785 1.2670 0.0000 H 0 0 0
- -5.7004 1.1361 0.0000 H 0 0 0
- -5.5695 -0.2858 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 3 7 1 0
- 6 8 1 0
- 8 9 1 0
- 9 10 1 0
- 9 11 2 0
- 10 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-642-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.1317 -2.4062 0.0385 C 0 0 0
- 1.2285 -2.9179 -0.0619 O 0 0 0
- 0.0044 -0.9967 0.0234 C 0 0 0
- 1.1539 -0.1745 0.0141 C 0 0 0
- -1.2741 -0.3937 0.0115 C 0 0 0
- 1.0127 1.2825 -0.0021 C 0 0 0
- 2.4430 -0.7307 0.0205 C 0 0 0
- -1.3962 1.0648 -0.0046 C 0 0 0
- -2.4426 -1.1720 0.0153 C 0 0 0
- -0.2543 1.8685 -0.0083 C 0 0 0
- 2.1795 2.0764 -0.0106 C 0 0 0
- 3.5295 0.0890 0.0116 C 0 0 0
- -2.6863 1.6367 -0.0157 C 0 0 0
- -3.6584 -0.5603 0.0040 C 0 0 0
- 3.3985 1.4759 -0.0037 C 0 0 0
- -3.7780 0.8276 -0.0113 C 0 0 0
- -0.7277 -3.0097 0.0000 H 0 0 0
- 2.5682 -1.7733 0.0000 H 0 0 0
- -2.3789 -2.2202 0.0000 H 0 0 0
- -0.3487 2.9144 0.0000 H 0 0 0
- 2.1062 3.1240 0.0000 H 0 0 0
- 4.4904 -0.3345 0.0000 H 0 0 0
- -2.8019 2.6805 0.0000 H 0 0 0
- -4.5279 -1.1492 0.0000 H 0 0 0
- 4.2631 2.0720 0.0000 H 0 0 0
- -4.7354 1.2592 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 6 1 0
- 12 7 2 0
- 13 8 1 0
- 14 9 2 0
- 15 11 2 0
- 16 13 2 0
- 8 10 1 0
- 12 15 1 0
- 14 16 1 0
- 1 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26651-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.8559 -0.4850 -0.0126 C 0 0 0
- -1.9935 0.1542 -0.0011 C 0 0 0
- 0.4157 0.2622 -0.0304 C 0 0 0
- -0.8237 -1.9585 -0.0019 C 0 0 0
- -2.0168 1.6291 -0.0058 C 0 0 0
- -3.2687 -0.5847 0.0172 C 0 0 0
- 1.6658 -0.5176 -0.0421 C 0 0 0
- 0.4002 1.5738 -0.0357 C 0 0 0
- -2.0938 -2.7034 0.0209 C 0 0 0
- 0.3371 -2.5707 -0.0134 C 0 0 0
- -0.8886 2.2980 -0.0217 C 0 0 0
- -3.3329 2.2913 0.0085 C 0 0 0
- -3.2443 -2.0571 0.0213 C 0 0 0
- -4.3953 0.0884 0.0290 C 0 0 0
- 1.6061 -1.8321 -0.0365 C 0 0 0
- 3.2254 0.3021 -0.0641 S 0 0 0
- -4.4245 1.5566 0.0245 C 0 0 0
- 3.5323 0.7345 1.3625 O 0 0 0
- 4.1834 -0.6993 -0.3785 O 0 0 0
- 3.0203 1.5028 -0.7958 O 0 0 0
- 1.3474 2.1356 0.0000 H 0 0 0
- -2.0836 -3.8046 0.0000 H 0 0 0
- 0.3601 -3.6717 0.0000 H 0 0 0
- -0.9014 3.3991 0.0000 H 0 0 0
- -3.4024 3.3903 0.0000 H 0 0 0
- -4.1901 -2.6212 0.0000 H 0 0 0
- -5.3476 -0.4646 0.0000 H 0 0 0
- 2.5480 -2.4026 0.0000 H 0 0 0
- -5.4017 2.0644 0.0000 H 0 0 0
- 4.1697 1.6325 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 1 0
- 16 19 2 0
- 16 20 2 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1464-53-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 13 1 V2000
- 0.6098 0.4733 -0.4620 C 0 0 0
- -0.6098 0.4733 0.4620 C 0 0 0
- 1.8874 0.4733 0.3798 C 0 0 0
- 1.3777 -0.7106 -0.2371 O 0 0 0
- -1.8874 0.4733 -0.3798 C 0 0 0
- -1.3777 -0.7106 0.2371 O 0 0 0
- 0.6098 1.4400 0.0000 H 0 0 0
- -0.6098 1.4400 0.0000 H 0 0 0
- 2.8188 0.2145 0.0000 H 0 0 0
- 2.0180 1.4312 0.0000 H 0 0 0
- -2.0180 1.4312 0.0000 H 0 0 0
- -2.8188 0.2145 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 4 1 0
- 5 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-584-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.0058 -0.6646 -0.0029 C 0 0 0
- -1.3816 -0.8001 -0.0026 C 0 0 0
- 0.5648 0.5952 -0.0006 C 0 0 0
- 0.8564 -1.8678 0.0005 N 0 3 0
- -2.1868 0.3234 0.0000 C 0 0 0
- -0.2415 1.7193 0.0020 C 0 0 0
- 2.4467 0.7811 -0.0004 Br 0 0 0
- 0.3537 -2.9772 0.0035 O 0 0 0
- 2.0685 -1.7484 0.0002 O 0 5 0
- -1.6168 1.5830 0.0023 C 0 0 0
- -3.6598 0.1779 -0.0002 N 0 3 0
- -4.3696 1.1677 0.0021 O 0 0 0
- -4.1622 -0.9317 -0.0026 O 0 5 0
- -1.8095 -1.7445 0.0000 H 0 0 0
- 0.1859 2.6640 0.0000 H 0 0 0
- -2.2212 2.4255 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26196-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.1528 0.1493 0.0126 C 0 0 0
- -0.6166 -1.1272 -0.0886 C 0 0 0
- -0.3163 1.2453 0.1009 C 0 0 0
- -2.6210 0.3367 0.0197 N 0 3 0
- 0.7610 -1.3030 -0.1007 C 0 0 0
- -1.4646 -2.2375 -0.1780 N 0 0 0
- 1.0605 1.0706 0.0884 C 0 0 0
- -3.1448 1.0738 -0.7963 O 0 0 0
- -3.3053 -0.2462 0.8415 O 0 5 0
- 1.5978 -0.2072 -0.0124 C 0 0 0
- 1.9084 2.1820 0.1775 N 0 0 0
- 3.3198 -0.4263 -0.0280 Cl 0 0 0
- -0.7179 2.2049 0.0000 H 0 0 0
- 1.1621 -2.2628 0.0000 H 0 0 0
- -2.4963 -2.1040 0.0000 H 0 0 0
- -1.0644 -3.1977 0.0000 H 0 0 0
- 2.9401 2.0491 0.0000 H 0 0 0
- 1.5076 3.1420 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117929-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.3073 -0.0030 -0.0342 C 0 0 0
- -1.7704 -0.0040 0.0096 C 0 0 0
- 0.3772 1.2282 0.0080 C 0 0 0
- 0.3863 -1.2072 -0.1657 C 0 0 0
- -2.4551 1.2265 -0.0530 C 0 0 0
- -2.4630 -1.2062 0.1622 C 0 0 0
- 1.7780 1.2107 0.0549 C 0 0 0
- -0.3636 2.4327 -0.0191 C 0 0 0
- 1.7506 -1.1880 -0.1342 C 0 0 0
- -0.3765 -2.4836 -0.3905 C 0 0 0
- -1.7146 2.4314 -0.0629 C 0 0 0
- -3.8562 1.2086 -0.0936 C 0 0 0
- -1.7025 -2.4879 0.3614 C 0 0 0
- -3.8281 -1.1861 0.1381 C 0 0 0
- 2.4369 0.0164 -0.0126 C 0 0 0
- -4.5147 0.0158 -0.0009 C 0 0 0
- 3.9159 0.0028 0.0444 N 0 3 0
- 4.5179 -1.0544 -0.0146 O 0 0 0
- 4.5309 1.0487 0.1503 O 0 5 0
- 2.3130 2.1042 0.0000 H 0 0 0
- 0.1441 3.3420 0.0000 H 0 0 0
- 2.2802 -2.0847 0.0000 H 0 0 0
- -0.5603 -3.5087 0.0000 H 0 0 0
- 0.5989 -2.8485 0.0000 H 0 0 0
- -2.2233 3.3401 0.0000 H 0 0 0
- -4.3912 2.1021 0.0000 H 0 0 0
- -2.6779 -2.8529 0.0000 H 0 0 0
- -1.5154 -3.5124 0.0000 H 0 0 0
- -4.3575 -2.0829 0.0000 H 0 0 0
- -5.5561 0.0082 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 12 16 2 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 1 0
- 14 16 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100593-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.4824 -0.7130 0.0114 C 0 0 0
- -0.9810 -0.5501 -0.0008 C 0 0 0
- 1.2657 0.3393 0.0032 C 0 0 0
- 1.0371 -2.0784 0.0389 C 0 0 0
- -1.5134 0.6487 -0.0199 C 0 0 0
- -1.8228 -1.7601 0.0095 C 0 0 0
- 2.7265 0.1530 0.0158 C 0 0 0
- 0.6728 1.6873 -0.0188 C 0 0 0
- 2.3421 -2.2417 0.0502 C 0 0 0
- 0.1212 -3.2288 0.0528 C 0 0 0
- -2.9795 0.7882 -0.0317 C 0 0 0
- -0.6382 1.8333 -0.0288 C 0 0 0
- -1.1827 -3.0838 0.0308 C 0 0 0
- -3.1317 -1.6323 -0.0011 C 0 0 0
- 3.2292 -1.0646 0.0350 C 0 0 0
- 3.5499 1.2291 0.0071 N 0 3 0
- -3.7379 -0.2889 -0.0230 C 0 0 0
- -3.5458 2.0191 -0.0510 N 0 0 0
- 4.4604 1.2928 -0.7994 O 0 0 0
- 3.3796 2.1326 0.8060 O 0 5 0
- -4.7585 2.1314 -0.0607 O 0 0 0
- 1.2745 2.5062 0.0000 H 0 0 0
- 2.7381 -3.1776 0.0000 H 0 0 0
- 0.5111 -4.1672 0.0000 H 0 0 0
- -1.0449 2.7646 0.0000 H 0 0 0
- -1.7695 -3.9135 0.0000 H 0 0 0
- -3.7239 -2.4581 0.0000 H 0 0 0
- 4.2372 -1.1935 0.0000 H 0 0 0
- -4.7496 -0.1927 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33203-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- 4.7720 0.6144 -0.2676 N 0 0 0
- 5.5980 1.0927 0.8437 C 0 0 0
- 5.2300 0.7879 -1.6484 C 0 0 0
- 3.5621 -0.0063 -0.0130 C 0 0 0
- 4.9577 2.3408 1.4547 C 0 0 0
- 5.8480 -0.5192 -2.1487 C 0 0 0
- 2.3791 0.6696 -0.2805 C 0 0 0
- 3.5520 -1.3094 0.5054 C 0 0 0
- 1.1659 0.0542 -0.0279 C 0 0 0
- 2.3883 -1.9530 0.7689 C 0 0 0
- 1.1549 -1.3044 0.5191 C 0 0 0
- 0.0027 0.6891 -0.2794 O 0 3 0
- 0.0043 -1.9164 0.7705 N 0 0 0
- -1.1596 0.0560 -0.0203 C 0 0 0
- -1.1469 -1.3023 0.5284 C 0 0 0
- -2.3736 0.6734 -0.2638 C 0 0 0
- -2.3796 -1.9463 0.7935 C 0 0 0
- -3.5558 -0.0006 0.0125 C 0 0 0
- -3.5440 -1.3005 0.5390 C 0 0 0
- -4.7663 0.6222 -0.2328 N 0 0 0
- -5.4352 1.3696 0.8351 C 0 0 0
- -5.3796 0.5345 -1.5603 C 0 0 0
- -4.8218 2.7673 0.9407 C 0 0 0
- -6.0553 -0.8288 -1.7209 C 0 0 0
- 6.0935 0.2024 0.0000 H 0 0 0
- 6.4965 1.5731 0.0000 H 0 0 0
- 6.1623 1.1988 0.0000 H 0 0 0
- 4.8439 1.7308 0.0000 H 0 0 0
- 5.8642 2.8059 0.0000 H 0 0 0
- 4.4926 3.2473 0.0000 H 0 0 0
- 4.0512 1.8757 0.0000 H 0 0 0
- 4.9269 -0.9547 0.0000 H 0 0 0
- 6.2835 -1.4403 0.0000 H 0 0 0
- 6.7691 -0.0837 0.0000 H 0 0 0
- 2.4044 1.6882 0.0000 H 0 0 0
- 4.4276 -1.8303 0.0000 H 0 0 0
- 2.3990 -2.9718 0.0000 H 0 0 0
- -2.3979 1.6920 0.0000 H 0 0 0
- -2.3923 -2.9651 0.0000 H 0 0 0
- -4.4196 -1.8215 0.0000 H 0 0 0
- -6.3006 1.9073 0.0000 H 0 0 0
- -6.0903 0.5892 0.0000 H 0 0 0
- -5.3198 1.5516 0.0000 H 0 0 0
- -6.3644 0.7959 0.0000 H 0 0 0
- -3.8888 2.3578 0.0000 H 0 0 0
- -4.4123 3.7003 0.0000 H 0 0 0
- -5.7548 3.1768 0.0000 H 0 0 0
- -6.9682 -0.3763 0.0000 H 0 0 0
- -6.5078 -1.7417 0.0000 H 0 0 0
- -5.1424 -1.2813 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 12 9 1 0
- 13 11 1 0
- 14 12 2 0
- 15 13 2 0
- 16 14 1 0
- 17 15 1 0
- 18 16 2 0
- 19 17 2 0
- 20 18 1 0
- 21 20 1 0
- 22 20 1 0
- 23 21 1 0
- 24 22 1 0
- 10 11 1 0
- 14 15 1 0
- 18 19 1 0
- 2 25 1 0
- 2 26 1 0
- 3 27 1 0
- 3 28 1 0
- 5 29 1 0
- 5 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 10 37 1 0
- 16 38 1 0
- 17 39 1 0
- 19 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 24 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-646-06-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.7708 -1.0242 -0.0768 C 0 0 0
- -0.7709 -1.0242 -0.0768 C 0 0 0
- 1.1429 0.3495 0.1609 O 0 0 0
- -1.1429 0.3496 0.1609 O 0 0 0
- 0.0000 1.1170 -0.2750 C 0 0 0
- 0.6768 -2.0875 0.0000 H 0 0 0
- 1.8216 -1.2115 0.0000 H 0 0 0
- -1.8218 -1.2114 0.0000 H 0 0 0
- -0.6769 -2.0875 0.0000 H 0 0 0
- 0.7044 1.9190 0.0000 H 0 0 0
- -0.7044 1.9190 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-74-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.6708 -0.2693 -0.3161 N 0 0 0
- 0.2611 -1.3011 0.1578 C 0 0 0
- -0.2066 1.0069 0.2437 C 0 0 0
- -1.9700 -0.5558 0.3068 C 0 0 0
- 1.6770 -0.9665 -0.3135 C 0 0 0
- 1.2210 1.2837 -0.2297 C 0 0 0
- -2.9938 0.4870 -0.1464 C 0 0 0
- 2.0970 0.2701 0.2628 O 0 0 0
- -0.6082 -1.8547 0.0000 H 0 0 0
- 0.6620 -2.2505 0.0000 H 0 0 0
- -0.2183 2.0375 0.0000 H 0 0 0
- -1.2226 1.1800 0.0000 H 0 0 0
- -2.8265 -1.1290 0.0000 H 0 0 0
- -1.5654 -1.5037 0.0000 H 0 0 0
- 1.7239 -1.9961 0.0000 H 0 0 0
- 2.6974 -1.1113 0.0000 H 0 0 0
- 2.1055 1.8127 0.0000 H 0 0 0
- 0.8529 2.2463 0.0000 H 0 0 0
- -2.2584 1.2090 0.0000 H 0 0 0
- -3.7158 1.2224 0.0000 H 0 0 0
- -3.7292 -0.2350 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10443-65-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.4644 -0.6556 -0.0014 C 0 0 0
- -1.6521 0.2109 -0.0004 C 0 0 0
- 1.2647 0.1101 -0.0001 Br 0 0 0
- -0.6061 -1.9795 0.0022 C 0 0 0
- -2.7633 -0.2812 -0.0012 O 0 0 0
- -1.5085 1.5512 0.0015 O 0 0 0
- -1.5305 -2.3889 0.0000 H 0 0 0
- 0.2107 -2.5753 0.0000 H 0 0 0
- -1.4008 2.5564 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 2 0
- 6 2 1 0
- 4 7 1 0
- 4 8 1 0
- 6 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-627-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -1.4224 -0.1958 0.0000 C 0 0 0
- -2.7727 0.5236 0.0000 C 0 0 0
- -0.2941 0.8376 0.0000 C 0 0 0
- -3.8266 -0.4416 0.0000 O 0 0 0
- 1.4411 -0.0867 0.0000 Br 0 0 0
- -2.0729 -1.1411 0.0000 H 0 0 0
- -0.5567 -0.9490 0.0000 H 0 0 0
- -2.1221 1.4689 0.0000 H 0 0 0
- -3.6384 1.2768 0.0000 H 0 0 0
- 0.3564 1.7829 0.0000 H 0 0 0
- -1.1598 1.5908 0.0000 H 0 0 0
- -4.6728 -1.2166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39156-41-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -6.0579 -0.8831 0.0489 C 0 0 0
- -6.9565 0.0575 -0.4506 C 0 0 0
- -4.8678 -0.4674 0.6208 C 0 0 0
- -6.3529 -2.2101 -0.0205 O 0 0 0
- -6.6564 1.4088 -0.3737 C 0 0 0
- -8.1603 -0.3612 -1.0286 N 0 0 0
- -4.5689 0.8806 0.6973 C 0 0 0
- -5.2525 -2.9089 0.5650 C 0 0 0
- -5.4614 1.8210 0.2008 C 0 0 0
- -5.1565 3.1843 0.2790 N 0 0 0
- 7.9693 -0.1145 -0.0513 S 0 0 0
- 6.9878 0.9129 -0.5969 O 0 0 0
- 9.1639 0.6476 0.5041 O 0 0 0
- 7.3287 -0.7012 1.0733 O 0 0 0
- 8.4555 -0.8229 -1.1831 O 0 0 0
- -4.1377 -1.1161 0.0000 H 0 0 0
- -7.3851 2.0591 0.0000 H 0 0 0
- -8.8994 0.2772 0.0000 H 0 0 0
- -8.3437 -1.3205 0.0000 H 0 0 0
- -3.6278 1.1416 0.0000 H 0 0 0
- -5.7761 -3.7334 0.0000 H 0 0 0
- -4.4281 -3.4325 0.0000 H 0 0 0
- -4.7289 -2.0844 0.0000 H 0 0 0
- -4.2245 3.4762 0.0000 H 0 0 0
- -5.8753 3.8455 0.0000 H 0 0 0
- 6.3132 1.6191 0.0000 H 0 0 0
- 9.9873 1.1729 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 11 12 1 0
- 11 13 1 0
- 11 14 2 0
- 11 15 2 0
- 7 9 2 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-230-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.7361 -0.3686 -0.0015 C 0 0 0
- -0.7303 -0.3649 -0.0010 C 0 0 0
- 1.4199 0.8680 -0.0007 C 0 0 0
- 1.4622 -1.5615 0.0031 C 0 0 0
- -1.3999 0.8795 0.0002 C 0 0 0
- -1.4256 -1.4979 -0.0013 N 0 0 0
- 0.6889 2.0785 0.0009 C 0 0 0
- 2.8222 0.8734 -0.0012 C 0 0 0
- 2.8273 -1.5224 0.0024 C 0 0 0
- -0.6599 2.0831 0.0014 C 0 0 0
- -2.8043 0.8922 0.0007 C 0 0 0
- -2.7399 -1.4942 -0.0004 C 0 0 0
- 3.5037 -0.3081 -0.0023 C 0 0 0
- -3.4630 -0.3076 -0.0001 C 0 0 0
- 0.9634 -2.4797 0.0000 H 0 0 0
- 1.2040 2.9877 0.0000 H 0 0 0
- 3.3431 1.7792 0.0000 H 0 0 0
- 3.3696 -2.4156 0.0000 H 0 0 0
- -1.1683 2.9960 0.0000 H 0 0 0
- -3.3324 1.7939 0.0000 H 0 0 0
- -3.2529 -2.4045 0.0000 H 0 0 0
- 4.5486 -0.3003 0.0000 H 0 0 0
- -4.5077 -0.3312 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1321-74-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.7038 -0.2139 -0.0021 C 0 0 0
- -0.7038 -0.2139 -0.0005 C 0 0 0
- 1.3917 0.9989 -0.0018 C 0 0 0
- 1.4465 -1.4892 0.0022 C 0 0 0
- -1.3917 0.9989 0.0012 C 0 0 0
- -1.4466 -1.4892 -0.0012 C 0 0 0
- 0.6927 2.1883 -0.0001 C 0 0 0
- 2.7737 -1.4842 0.0007 C 0 0 0
- -0.6926 2.1883 0.0014 C 0 0 0
- -2.7737 -1.4841 0.0002 C 0 0 0
- 2.4340 1.0069 0.0000 H 0 0 0
- 0.9287 -2.3939 0.0000 H 0 0 0
- -2.4340 1.0069 0.0000 H 0 0 0
- -0.9289 -2.3939 0.0000 H 0 0 0
- 1.2104 3.0930 0.0000 H 0 0 0
- 3.2983 -2.3849 0.0000 H 0 0 0
- 3.2915 -0.5795 0.0000 H 0 0 0
- -1.2103 3.0930 0.0000 H 0 0 0
- -3.2914 -0.5794 0.0000 H 0 0 0
- -3.2983 -2.3848 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 9 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4569-77-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.4385 0.7511 -0.0044 C 0 0 0
- -0.4498 -0.7185 -0.0013 C 0 0 0
- 0.7153 1.4105 -0.0046 N 0 0 0
- -1.6676 1.4410 -0.0013 C 0 0 0
- 0.6931 -1.3953 0.0013 N 0 0 0
- -1.6905 -1.3901 -0.0007 C 0 0 0
- 1.8590 0.7320 -0.0020 C 0 0 0
- -2.8352 0.7378 0.0045 C 0 0 0
- 1.8474 -0.7349 0.0011 C 0 0 0
- -2.8453 -0.6712 -0.0030 C 0 0 0
- 3.1018 1.3998 -0.0016 C 0 0 0
- -4.0459 1.4277 0.0076 N 0 0 0
- 3.0794 -1.4223 0.0034 C 0 0 0
- -4.0350 -1.3264 -0.0029 O 0 0 0
- 4.2514 0.6772 0.0016 C 0 0 0
- 4.2403 -0.7180 0.0026 C 0 0 0
- -1.6834 2.4746 0.0000 H 0 0 0
- -1.7219 -2.4233 0.0000 H 0 0 0
- 3.1370 2.4329 0.0000 H 0 0 0
- -4.0517 2.4614 0.0000 H 0 0 0
- -4.9382 0.9058 0.0000 H 0 0 0
- 3.0982 -2.4558 0.0000 H 0 0 0
- -4.9404 -1.8251 0.0000 H 0 0 0
- 5.1581 1.1735 0.0000 H 0 0 0
- 5.1390 -1.2287 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 7 9 1 0
- 8 10 2 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-161697-04-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- -0.3573 0.3952 0.0034 C 0 0 0
- -0.6021 -1.0020 0.0007 C 0 0 0
- 0.9662 0.8632 0.0030 C 0 0 0
- -1.3897 1.2467 0.0007 N 0 0 0
- -1.8617 -1.4503 0.0007 N 0 0 0
- 0.4841 -1.8961 -0.0022 C 0 0 0
- 2.0065 -0.0398 0.0000 C 0 0 0
- 1.2471 2.3438 0.0063 C 0 0 0
- -2.6180 0.7805 -0.0044 C 0 0 0
- -2.8584 -0.5945 0.0031 C 0 0 0
- 1.7558 -1.4186 -0.0026 C 0 0 0
- 3.3221 0.4227 -0.0004 N 0 0 0
- -3.7798 1.7404 -0.0069 C 0 0 0
- -4.2770 -1.1029 0.0030 C 0 0 0
- 3.9765 -0.1649 1.1763 C 0 0 0
- 3.9740 -0.1600 -1.1809 C 0 0 0
- 0.3126 -2.9278 0.0000 H 0 0 0
- 2.2747 2.1488 0.0000 H 0 0 0
- 1.4421 3.3714 0.0000 H 0 0 0
- 0.2195 2.5388 0.0000 H 0 0 0
- 2.5586 -2.0890 0.0000 H 0 0 0
- -3.1136 2.5467 0.0000 H 0 0 0
- -4.5861 2.4066 0.0000 H 0 0 0
- -4.4460 0.9341 0.0000 H 0 0 0
- -4.6299 -0.1183 0.0000 H 0 0 0
- -5.2616 -1.4558 0.0000 H 0 0 0
- -3.9241 -2.0875 0.0000 H 0 0 0
- 3.2777 -0.9431 0.0000 H 0 0 0
- 4.7547 -0.8637 0.0000 H 0 0 0
- 4.6753 0.6133 0.0000 H 0 0 0
- 3.2770 -0.9398 0.0000 H 0 0 0
- 4.7538 -0.8570 0.0000 H 0 0 0
- 4.6710 0.6198 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 12 16 1 0
- 7 11 1 0
- 9 10 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-11-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.4026 0.0001 -0.0275 C 0 0 0
- 1.0936 -1.1972 -0.0099 C 0 0 0
- 1.0935 1.1971 -0.0098 C 0 0 0
- -1.3586 0.0002 -0.0799 S 0 0 0
- 2.4753 -1.1973 0.0254 C 0 0 0
- 2.4756 1.1970 0.0254 C 0 0 0
- -1.8566 -0.0033 1.3584 O 0 0 0
- -1.7290 1.2640 -0.6136 O 0 0 0
- -1.7289 -1.2610 -0.6197 O 0 0 0
- 3.1664 0.0000 0.0430 C 0 0 0
- 0.5752 -2.0948 0.0000 H 0 0 0
- 0.5752 2.0948 0.0000 H 0 0 0
- 2.9936 -2.0950 0.0000 H 0 0 0
- 2.9940 2.0946 0.0000 H 0 0 0
- -2.8931 -0.0106 0.0000 H 0 0 0
- 4.2029 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 10 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107097-80-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 60 1 V2000
- -1.4109 0.8176 -0.5532 C 0 0 0
- -2.0487 -0.4891 -0.9490 C 0 0 0
- 0.0355 0.7413 -0.7730 N 0 0 0
- -1.9966 1.9485 -1.4012 C 0 0 0
- -2.8049 -1.1659 -0.0621 N 0 0 0
- -1.8816 -0.9318 -2.0657 O 0 0 0
- 0.8383 0.2469 0.1901 C 0 0 0
- -1.7572 3.2875 -0.7009 C 0 0 0
- -2.9264 -0.6831 1.3157 C 0 0 0
- -3.5054 -2.3843 -0.4758 C 0 0 0
- 2.3051 0.2634 0.0100 C 0 0 0
- 0.3559 -0.2127 1.2068 O 0 0 0
- -2.3341 4.4014 -1.5361 C 0 0 0
- -4.1042 0.2886 1.4136 C 0 0 0
- -2.5235 -3.5576 -0.4883 C 0 0 0
- 3.1392 -0.2482 1.0060 C 0 0 0
- 2.8615 0.7851 -1.1591 C 0 0 0
- -2.2407 5.6728 -1.1159 O 0 0 0
- -2.8807 4.1500 -2.5839 O 0 0 0
- -4.2311 0.7928 2.8526 C 0 0 0
- -3.2551 -4.8301 -0.9204 C 0 0 0
- 4.5079 -0.2304 0.8318 C 0 0 0
- 4.2311 0.7977 -1.3223 C 0 0 0
- -5.4088 1.7645 2.9505 C 0 0 0
- -2.3381 -5.9260 -0.9321 O 0 0 0
- 5.0544 0.2945 -0.3293 C 0 0 0
- 5.5473 -0.8658 2.0686 Cl 0 0 0
- -5.5357 2.2688 4.3894 C 0 0 0
- -3.0771 -7.0785 -1.3413 C 0 0 0
- 6.7772 0.3144 -0.5419 Cl 0 0 0
- -2.3665 0.8062 0.0000 H 0 0 0
- 0.3201 1.6536 0.0000 H 0 0 0
- -2.8433 2.3917 0.0000 H 0 0 0
- -2.6738 1.2742 0.0000 H 0 0 0
- -0.9105 2.8443 0.0000 H 0 0 0
- -1.0800 3.9618 0.0000 H 0 0 0
- -1.9728 -0.7457 0.0000 H 0 0 0
- -2.5740 0.2052 0.0000 H 0 0 0
- -4.2724 -1.8142 0.0000 H 0 0 0
- -4.1614 -3.0792 0.0000 H 0 0 0
- -5.0578 0.3512 0.0000 H 0 0 0
- -4.4566 -0.5997 0.0000 H 0 0 0
- -1.7565 -4.1277 0.0000 H 0 0 0
- -1.8675 -2.8627 0.0000 H 0 0 0
- 2.8856 -1.1696 0.0000 H 0 0 0
- 2.5060 1.6721 0.0000 H 0 0 0
- -2.1707 6.6259 0.0000 H 0 0 0
- -3.2775 0.7302 0.0000 H 0 0 0
- -3.8787 1.6811 0.0000 H 0 0 0
- -4.0221 -4.2600 0.0000 H 0 0 0
- -3.9111 -5.5250 0.0000 H 0 0 0
- 4.4857 1.7188 0.0000 H 0 0 0
- -6.3624 1.8272 0.0000 H 0 0 0
- -5.7613 0.8762 0.0000 H 0 0 0
- -4.6089 2.5020 0.0000 H 0 0 0
- -5.7689 3.1956 0.0000 H 0 0 0
- -6.4625 2.0356 0.0000 H 0 0 0
- -3.8816 -6.5627 0.0000 H 0 0 0
- -3.5929 -7.8830 0.0000 H 0 0 0
- -2.2726 -7.5943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 2 0
- 13 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 16 22 2 0
- 17 23 1 0
- 20 24 1 0
- 21 25 1 0
- 22 26 1 0
- 22 27 1 0
- 24 28 1 0
- 25 29 1 0
- 26 30 1 0
- 23 26 2 0
- 1 31 1 0
- 3 32 1 0
- 4 33 1 0
- 4 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 17 46 1 0
- 18 47 1 0
- 20 48 1 0
- 20 49 1 0
- 21 50 1 0
- 21 51 1 0
- 23 52 1 0
- 24 53 1 0
- 24 54 1 0
- 28 55 1 0
- 28 56 1 0
- 28 57 1 0
- 29 58 1 0
- 29 59 1 0
- 29 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1070-70-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 4.2865 -0.0649 -0.0010 C 0 0 0
- 3.0490 0.4697 -0.0002 O 0 0 0
- 5.4657 0.8119 -0.0001 C 0 0 0
- 4.4269 -1.2721 0.0026 O 0 0 0
- 1.8839 -0.3968 -0.0011 C 0 0 0
- 6.6874 0.2842 -0.0008 C 0 0 0
- 0.6139 0.4565 0.0000 C 0 0 0
- -0.6139 -0.4565 -0.0009 C 0 0 0
- -1.8839 0.3968 0.0002 C 0 0 0
- -3.0490 -0.4697 -0.0007 O 0 0 0
- -4.2865 0.0649 0.0001 C 0 0 0
- -5.4657 -0.8119 -0.0008 C 0 0 0
- -4.4269 1.2721 0.0016 O 0 0 0
- -6.6874 -0.2842 0.0000 C 0 0 0
- 5.3399 1.8936 0.0000 H 0 0 0
- 1.1783 -1.2263 0.0000 H 0 0 0
- 2.6284 -1.1916 0.0000 H 0 0 0
- 6.8133 -0.7975 0.0000 H 0 0 0
- 7.5612 0.9341 0.0000 H 0 0 0
- 1.3195 1.2860 0.0000 H 0 0 0
- -0.1305 1.2513 0.0000 H 0 0 0
- -1.3195 -1.2860 0.0000 H 0 0 0
- 0.1305 -1.2513 0.0000 H 0 0 0
- -1.1783 1.2263 0.0000 H 0 0 0
- -2.6284 1.1916 0.0000 H 0 0 0
- -5.3399 -1.8936 0.0000 H 0 0 0
- -6.8133 0.7975 0.0000 H 0 0 0
- -7.5612 -0.9341 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-496-72-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.6724 0.7696 0.0018 C 0 0 0
- -1.0749 -0.5658 0.0004 C 0 0 0
- 0.6785 1.0823 0.0017 C 0 0 0
- -1.6296 1.7915 -0.0025 N 0 0 0
- -0.1219 -1.5730 -0.0011 C 0 0 0
- -2.4374 -0.8884 0.0010 N 0 0 0
- 1.6221 0.0716 0.0001 C 0 0 0
- 1.2231 -1.2521 -0.0012 C 0 0 0
- 3.0897 0.4139 0.0000 C 0 0 0
- 0.9820 2.0770 0.0000 H 0 0 0
- -1.3278 2.7867 0.0000 H 0 0 0
- -2.6424 1.5553 0.0000 H 0 0 0
- -0.4187 -2.5697 0.0000 H 0 0 0
- -3.1509 -0.1318 0.0000 H 0 0 0
- -2.7359 -1.8846 0.0000 H 0 0 0
- 1.9366 -2.0087 0.0000 H 0 0 0
- 3.3259 -0.5989 0.0000 H 0 0 0
- 4.1025 0.6501 0.0000 H 0 0 0
- 2.8535 1.4267 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103-50-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 2.3973 -0.4940 -0.0405 C 0 0 0
- 1.1471 -1.3352 -0.0151 C 0 0 0
- 3.3232 -0.6007 0.9807 C 0 0 0
- 2.6209 0.3800 -1.0876 C 0 0 0
- 0.0000 -0.4832 0.0018 O 0 0 0
- 4.4697 0.1708 0.9574 C 0 0 0
- 3.7678 1.1518 -1.1109 C 0 0 0
- -1.1470 -1.3352 0.0255 C 0 0 0
- 4.6906 1.0493 -0.0871 C 0 0 0
- -2.3972 -0.4941 0.0442 C 0 0 0
- -3.3228 -0.6091 -0.9757 C 0 0 0
- -2.6211 0.3885 1.0847 C 0 0 0
- -4.4699 0.1627 -0.9585 C 0 0 0
- -3.7677 1.1599 1.1019 C 0 0 0
- -4.6909 1.0491 0.0786 C 0 0 0
- 0.5541 -1.9691 0.0000 H 0 0 0
- 1.7099 -1.9960 0.0000 H 0 0 0
- 3.5285 -1.4441 0.0000 H 0 0 0
- 1.9117 0.8804 0.0000 H 0 0 0
- 5.1799 -0.3282 0.0000 H 0 0 0
- 3.5608 1.9947 0.0000 H 0 0 0
- -1.7098 -1.9960 0.0000 H 0 0 0
- -0.5540 -1.9690 0.0000 H 0 0 0
- 5.4036 1.5443 0.0000 H 0 0 0
- -3.5243 -1.4534 0.0000 H 0 0 0
- -1.9114 0.8882 0.0000 H 0 0 0
- -5.1806 -0.3356 0.0000 H 0 0 0
- -3.5644 2.0037 0.0000 H 0 0 0
- -5.4056 1.5417 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 10 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 2 0
- 14 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-632-79-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.7056 -1.7229 0.0017 C 0 0 0
- -0.7056 -1.7229 0.0015 C 0 0 0
- 1.3954 -0.5193 0.0010 C 0 0 0
- 1.1108 -3.1416 -0.0033 C 0 0 0
- -1.3954 -0.5194 0.0007 C 0 0 0
- -1.1106 -3.1417 0.0024 C 0 0 0
- 0.6918 0.6773 0.0002 C 0 0 0
- 3.2864 -0.5088 0.0018 Br 0 0 0
- 0.0001 -3.9052 -0.0061 O 0 0 0
- 2.2534 -3.5524 -0.0052 O 0 0 0
- -0.6918 0.6773 0.0000 C 0 0 0
- -3.2864 -0.5089 0.0012 Br 0 0 0
- -2.2532 -3.5526 0.0029 O 0 0 0
- 1.6307 2.3187 -0.0001 Br 0 0 0
- -1.6308 2.3187 -0.0017 Br 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 6 9 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102000-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.1126 0.0000 0.0172 C 0 0 0
- 0.5961 -1.2138 0.0044 C 0 0 0
- 0.5955 1.2138 0.0056 C 0 0 0
- -1.5812 -0.0002 0.0365 C 0 0 0
- 1.9831 -1.2001 -0.0196 C 0 0 0
- -0.0892 -2.4215 0.0152 N 0 0 0
- 1.9829 1.2006 -0.0184 C 0 0 0
- -0.0901 2.4212 0.0176 N 0 0 0
- -2.2706 0.0030 -1.1221 O 0 0 0
- -2.1752 -0.0034 1.0972 O 0 0 0
- 2.6681 0.0006 -0.0308 C 0 0 0
- 2.5102 -2.0973 0.0000 H 0 0 0
- -1.1298 -2.4293 0.0000 H 0 0 0
- 0.4378 -3.3188 0.0000 H 0 0 0
- 2.5096 2.0980 0.0000 H 0 0 0
- 0.4366 3.3186 0.0000 H 0 0 0
- -1.1307 2.4287 0.0000 H 0 0 0
- -3.3112 0.0078 0.0000 H 0 0 0
- 3.7087 0.0008 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 7 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25057-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.5225 0.6964 -0.3726 C 0 0 0
- -1.4003 -0.6580 -0.0241 C 0 0 0
- -0.3767 1.4212 -0.6752 N 0 0 0
- -2.7739 1.2930 -0.4053 C 0 0 0
- -0.0721 -1.2892 0.0003 C 0 0 0
- -2.5447 -1.3926 0.2931 C 0 0 0
- 1.0274 1.0879 0.1385 S 0 0 0
- -3.8961 0.5530 -0.0899 C 0 0 0
- 1.0539 -0.5609 0.0308 N 0 0 0
- 0.0074 -2.5026 -0.0077 O 0 0 0
- -3.7806 -0.7841 0.2567 C 0 0 0
- 2.0933 1.5685 -0.6690 O 0 0 0
- 0.7966 1.4098 1.5032 O 0 0 0
- 2.3463 -1.2478 -0.0332 C 0 0 0
- 2.9833 -1.0093 -1.4037 C 0 0 0
- 3.2682 -0.7029 1.0595 C 0 0 0
- -0.5442 2.4242 0.0000 H 0 0 0
- -2.8441 2.3074 0.0000 H 0 0 0
- -2.4872 -2.4078 0.0000 H 0 0 0
- -4.8114 0.9961 0.0000 H 0 0 0
- -4.6200 -1.3580 0.0000 H 0 0 0
- 2.2801 -2.2625 0.0000 H 0 0 0
- 3.3398 -1.9616 0.0000 H 0 0 0
- 3.9356 -0.6528 0.0000 H 0 0 0
- 2.6268 -0.0570 0.0000 H 0 0 0
- 3.7856 -1.5783 0.0000 H 0 0 0
- 4.1436 -0.1855 0.0000 H 0 0 0
- 2.7508 0.1725 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 2 0
- 7 13 2 0
- 9 14 1 0
- 14 15 1 0
- 14 16 1 0
- 7 9 1 0
- 8 11 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 11 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6281-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.1572 0.0788 -0.0037 C 0 0 0
- -0.9824 -0.6441 -0.0035 O 0 0 0
- -0.1908 1.4142 -0.0009 C 0 0 0
- 1.4740 -0.4400 -0.0011 C 0 0 0
- -2.0358 0.1841 -0.0006 C 0 0 0
- -1.5928 1.4612 0.0011 C 0 0 0
- 2.5365 0.4050 -0.0017 C 0 0 0
- -3.4564 -0.2326 0.0010 N 0 3 0
- 3.8510 -0.1129 0.0009 C 0 0 0
- -4.3377 0.6082 0.0036 O 0 0 0
- -3.7439 -1.4161 -0.0003 O 0 5 0
- 4.9076 0.7275 0.0003 O 0 0 0
- 4.0308 -1.3166 0.0036 O 0 0 0
- 0.4425 2.2059 0.0000 H 0 0 0
- 1.6238 -1.4427 0.0000 H 0 0 0
- -2.1667 2.2970 0.0000 H 0 0 0
- 2.3867 1.4077 0.0000 H 0 0 0
- 5.7010 1.3586 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 5 6 2 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133831-61-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.6103 -0.6688 0.2170 C 0 0 0
- -2.8189 -0.1267 -0.2241 C 0 0 0
- -0.4754 0.3245 1.1282 S 0 0 0
- -1.3070 -2.0032 -0.0618 C 0 0 0
- -3.7031 -0.9093 -0.9363 C 0 0 0
- -3.1506 1.2850 0.0725 N 0 3 0
- 1.1769 -0.4211 1.7298 S 0 0 0
- -2.2015 -2.7768 -0.7702 C 0 0 0
- -3.3943 -2.2302 -1.2141 C 0 0 0
- -4.2054 1.7566 -0.3130 O 0 0 0
- -2.2418 2.0872 0.8044 O 0 5 0
- 2.5670 -0.3368 0.7340 C 0 0 0
- 2.4947 0.2613 -0.4857 C 0 0 0
- 3.7358 -0.8642 1.1596 F 0 0 0
- 3.9043 0.3469 -1.4954 Cl 0 0 0
- 0.9929 0.9390 -1.0325 Cl 0 0 0
- -0.3517 -2.3167 0.0000 H 0 0 0
- -4.6611 -0.6042 0.0000 H 0 0 0
- -2.0595 -3.7721 0.0000 H 0 0 0
- -4.1727 -2.8666 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 8 9 1 0
- 4 17 1 0
- 5 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.1077 -0.3835 -0.0011 C 0 0 0
- -1.5909 -0.4220 -0.0007 C 0 0 0
- 0.3214 0.9416 -0.0002 C 0 0 0
- 0.8371 -1.4126 0.0031 C 0 0 0
- -2.0889 0.8780 0.0005 C 0 0 0
- -2.4821 -1.4971 -0.0012 C 0 0 0
- -0.9078 1.8173 0.0008 C 0 0 0
- 1.6667 1.2373 0.0000 C 0 0 0
- 2.1819 -1.1145 0.0016 C 0 0 0
- -3.4497 1.1010 0.0006 C 0 0 0
- -3.8415 -1.2645 -0.0006 C 0 0 0
- 2.6040 0.2103 -0.0006 C 0 0 0
- -4.3269 0.0310 -0.0003 C 0 0 0
- 3.9673 0.5089 -0.0004 N 0 0 0
- 4.9213 -0.5374 -0.0011 O 0 0 0
- 0.5236 -2.4085 0.0000 H 0 0 0
- -2.1196 -2.4762 0.0000 H 0 0 0
- -0.2254 2.6075 0.0000 H 0 0 0
- -1.6310 2.5704 0.0000 H 0 0 0
- 1.9826 2.2325 0.0000 H 0 0 0
- 2.8861 -1.8854 0.0000 H 0 0 0
- -3.8183 2.0779 0.0000 H 0 0 0
- -4.5068 -2.0692 0.0000 H 0 0 0
- -5.3570 0.2016 0.0000 H 0 0 0
- 4.2838 1.5039 0.0000 H 0 0 0
- 5.6248 -1.3089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134785-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 2.0340 -1.0591 0.0945 C 0 0 0
- 0.8293 -0.1981 0.1211 C 0 0 0
- 3.3792 -0.4477 -0.0072 C 0 0 0
- 1.9108 -2.3539 0.1659 N 0 0 0
- -0.4350 -0.7736 0.0700 C 0 0 0
- 0.9671 1.1918 0.2033 C 0 0 0
- 3.9446 -0.2051 -1.2588 C 0 0 0
- 4.0823 -0.1073 1.1487 C 0 0 0
- 3.0643 -3.1718 0.2410 O 0 0 0
- -1.5643 0.0447 0.0960 C 0 0 0
- -0.1365 1.9967 0.2290 C 0 0 0
- 5.1977 0.3645 -1.3483 C 0 0 0
- 5.3344 0.4617 1.0490 C 0 0 0
- -1.4074 1.4398 0.1734 C 0 0 0
- -2.8996 -0.2059 0.0612 N 0 0 0
- 5.8946 0.6956 -0.1972 C 0 0 0
- -2.6851 1.9695 0.1815 N 0 0 0
- -3.5591 0.9231 0.1114 C 0 0 0
- 7.1217 1.2533 -0.2899 F 0 0 0
- -4.9384 1.0392 0.0948 N 0 0 0
- -5.7047 -0.0551 -0.0834 C 0 0 0
- -7.0394 0.0707 -0.2070 O 0 0 0
- -5.1910 -1.1550 -0.1326 O 0 0 0
- -7.8650 -1.1082 -0.3989 C 0 0 0
- -0.5376 -1.7964 0.0000 H 0 0 0
- 1.9053 1.6118 0.0000 H 0 0 0
- 4.3600 -1.1454 0.0000 H 0 0 0
- 3.6456 0.8233 0.0000 H 0 0 0
- 3.9029 -3.7664 0.0000 H 0 0 0
- -0.0251 3.0186 0.0000 H 0 0 0
- 5.6310 -0.5677 0.0000 H 0 0 0
- 4.9237 1.4041 0.0000 H 0 0 0
- -2.9304 2.9678 0.0000 H 0 0 0
- -5.3744 1.9702 0.0000 H 0 0 0
- -8.7070 -0.5185 0.0000 H 0 0 0
- -8.4547 -1.9502 0.0000 H 0 0 0
- -7.0230 -1.6979 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 10 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 2 0
- 16 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 1 0
- 11 14 1 0
- 13 16 1 0
- 17 18 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 17 33 1 0
- 20 34 1 0
- 24 35 1 0
- 24 36 1 0
- 24 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2310-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -2.2603 0.1979 0.2722 C 0 0 0
- -3.3172 1.0361 -0.0818 C 0 0 0
- -1.1299 1.0077 0.3846 N 0 0 0
- -2.4765 -1.1617 0.4335 C 0 0 0
- -2.8203 2.2940 -0.1732 O 0 0 0
- -4.5841 0.5047 -0.2661 C 0 0 0
- -1.5079 2.2714 0.1076 C 0 0 0
- 0.2209 0.5655 0.7397 C 0 0 0
- -3.7409 -1.6839 0.2427 C 0 0 0
- -4.7939 -0.8511 -0.0985 C 0 0 0
- -0.7739 3.2408 0.1117 O 0 0 0
- 1.1284 0.1241 -0.7676 S 0 0 0
- -6.3812 -1.5151 -0.3290 Cl 0 0 0
- 2.9851 -0.4543 0.0765 P 0 0 0
- 3.8735 -1.1997 -1.0403 O 0 0 0
- 3.7669 0.8523 0.6000 O 0 0 0
- 2.6841 -1.6120 1.5054 S 0 0 0
- 5.0299 -1.7111 -0.3745 C 0 0 0
- 3.8307 1.7633 -0.4991 C 0 0 0
- 5.9215 -2.4354 -1.3850 C 0 0 0
- 4.5657 3.0336 -0.0665 C 0 0 0
- -1.6815 -1.7895 0.0000 H 0 0 0
- -5.3822 1.1287 0.0000 H 0 0 0
- 1.0335 1.1704 0.0000 H 0 0 0
- 0.0577 1.5653 0.0000 H 0 0 0
- -3.8810 -2.6872 0.0000 H 0 0 0
- 5.9405 -1.2672 0.0000 H 0 0 0
- 5.0111 -0.6982 0.0000 H 0 0 0
- 3.1983 2.5547 0.0000 H 0 0 0
- 2.8636 1.4619 0.0000 H 0 0 0
- 5.2828 -3.2217 0.0000 H 0 0 0
- 6.7078 -3.0741 0.0000 H 0 0 0
- 6.5602 -1.6491 0.0000 H 0 0 0
- 5.4425 2.5263 0.0000 H 0 0 0
- 5.0730 3.9104 0.0000 H 0 0 0
- 3.6889 3.5409 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 7 11 2 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 19 21 1 0
- 5 7 1 0
- 9 10 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 20 33 1 0
- 21 34 1 0
- 21 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-313-80-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.7533 0.0442 -0.0019 C 0 0 0
- -0.7176 -0.0086 -0.0012 C 0 0 0
- 1.3814 1.1955 -0.0008 C 0 0 0
- 1.4898 -1.2336 0.0022 C 0 0 0
- -1.4527 1.2713 0.0009 C 0 0 0
- -1.3547 -1.1542 -0.0020 C 0 0 0
- 0.6418 2.4665 0.0015 C 0 0 0
- 2.8579 1.1972 -0.0015 C 0 0 0
- 0.7019 -2.4785 0.0067 C 0 0 0
- 2.8007 -1.2283 0.0015 C 0 0 0
- -0.6743 2.5181 0.0020 C 0 0 0
- -2.7656 1.2335 0.0012 C 0 0 0
- -0.6121 -2.4256 -0.0038 C 0 0 0
- -2.7105 -1.1649 -0.0008 N 0 0 0
- 3.5199 0.0599 -0.0032 C 0 0 0
- -3.4078 -0.0985 -0.0006 C 0 0 0
- 1.2100 3.4112 0.0000 H 0 0 0
- 3.4068 2.1532 0.0000 H 0 0 0
- 1.2140 -3.4547 0.0000 H 0 0 0
- 3.3607 -2.1779 0.0000 H 0 0 0
- -1.1899 3.4924 0.0000 H 0 0 0
- -3.3653 2.1585 0.0000 H 0 0 0
- -1.1800 -3.3704 0.0000 H 0 0 0
- 4.6222 0.0698 0.0000 H 0 0 0
- -4.5079 -0.1700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 8 15 2 0
- 12 16 1 0
- 7 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 16 2 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.4731 0.1183 0.0023 C 0 0 0
- -0.7347 -1.0468 0.0208 C 0 0 0
- -0.8395 1.3512 -0.0088 C 0 0 0
- -2.9517 0.0514 -0.0121 N 0 3 0
- 0.6538 -0.9910 0.0286 C 0 0 0
- 0.5356 1.4273 -0.0014 C 0 0 0
- -3.6076 1.0776 -0.0285 O 0 0 0
- -3.5125 -1.0298 -0.0075 O 0 5 0
- 1.2987 0.2561 0.0174 C 0 0 0
- 1.3992 -2.1621 0.0477 N 0 0 0
- 2.7697 0.3299 0.0249 C 0 0 0
- 3.4529 0.2798 -1.1357 O 0 0 0
- 3.3674 0.4360 1.0777 O 0 0 0
- -1.2174 -1.9676 0.0000 H 0 0 0
- -1.4055 2.2233 0.0000 H 0 0 0
- 1.0055 2.3547 0.0000 H 0 0 0
- 0.9188 -3.0841 0.0000 H 0 0 0
- 2.4379 -2.1172 0.0000 H 0 0 0
- 4.4897 0.2038 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 10 17 1 0
- 10 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116374-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 1.2093 0.6804 -0.1596 C 0 0 0
- 0.4264 -0.4374 -0.5085 C 0 0 0
- 2.5341 0.4847 0.3110 C 0 0 0
- 0.6987 1.9852 -0.2765 C 0 0 0
- 1.0068 -1.7138 -0.3708 C 0 0 0
- -0.8645 -0.2876 -0.9689 N 0 0 0
- 3.0422 -0.7411 0.4249 N 0 0 0
- 3.3080 1.6140 0.6573 C 0 0 0
- 1.4762 3.0473 0.0669 C 0 0 0
- -0.6797 2.2024 -0.7720 N 0 3 0
- 2.3390 -1.8265 0.1072 C 0 0 0
- 0.2862 -2.8747 -0.7000 C 0 0 0
- -1.7480 -0.4397 0.1948 C 0 0 0
- 2.7767 2.8608 0.5357 C 0 0 0
- 4.5717 1.4569 1.1083 F 0 0 0
- -0.9444 2.0015 -1.9437 O 0 0 0
- -1.5488 2.5820 -0.0077 O 0 5 0
- 2.9081 -3.1098 0.2404 C 0 0 0
- 0.8719 -4.0945 -0.5576 C 0 0 0
- -3.2062 -0.4400 -0.2685 C 0 0 0
- 2.1802 -4.2096 -0.0875 C 0 0 0
- -4.1264 -0.5984 0.9435 C 0 0 0
- -5.5264 -0.5986 0.4987 N 0 0 0
- -6.3522 -0.7532 1.7037 C 0 0 0
- -5.8009 0.7434 -0.0319 C 0 0 0
- -0.8921 0.7147 0.0000 H 0 0 0
- 1.0874 3.9716 0.0000 H 0 0 0
- -0.7151 -2.8206 0.0000 H 0 0 0
- -2.1991 -1.3352 0.0000 H 0 0 0
- -1.1513 -1.2456 0.0000 H 0 0 0
- 3.3877 3.6559 0.0000 H 0 0 0
- 3.9073 -3.1936 0.0000 H 0 0 0
- 0.3012 -4.9190 0.0000 H 0 0 0
- -2.7551 0.4555 0.0000 H 0 0 0
- -3.8029 0.3659 0.0000 H 0 0 0
- 2.6156 -5.1128 0.0000 H 0 0 0
- -4.5775 -1.4939 0.0000 H 0 0 0
- -3.5298 -1.4043 0.0000 H 0 0 0
- -6.5367 0.2324 0.0000 H 0 0 0
- -7.3378 -0.9377 0.0000 H 0 0 0
- -6.1677 -1.7388 0.0000 H 0 0 0
- -4.8185 0.9443 0.0000 H 0 0 0
- -6.0018 1.7258 0.0000 H 0 0 0
- -6.7833 0.5425 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 18 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 14 1 0
- 19 21 1 0
- 6 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-70-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -0.1244 -0.2374 -0.1376 N 0 0 0
- 0.8191 -1.2766 -0.5711 C 0 0 0
- 0.2821 1.0067 -0.8046 C 0 0 0
- -1.4365 -0.6023 -0.6883 C 0 0 0
- 2.1929 -0.9619 -0.0375 C 0 0 0
- 0.1881 2.1527 0.1694 C 0 0 0
- -2.3921 -0.8918 0.4404 C 0 0 0
- 2.7968 -1.8099 0.7577 C 0 0 0
- 1.2304 2.9165 0.3848 C 0 0 0
- -3.5356 -0.2564 0.5098 C 0 0 0
- -0.0088 -1.8032 0.0000 H 0 0 0
- 1.1974 -2.1819 0.0000 H 0 0 0
- 1.0282 0.3695 0.0000 H 0 0 0
- 1.1556 1.4536 0.0000 H 0 0 0
- -1.1988 0.3496 0.0000 H 0 0 0
- -2.1472 0.0741 0.0000 H 0 0 0
- 2.5416 -0.0448 0.0000 H 0 0 0
- -0.7044 2.5602 0.0000 H 0 0 0
- -2.4964 -1.8674 0.0000 H 0 0 0
- 2.3893 -2.7024 0.0000 H 0 0 0
- 3.7735 -1.7166 0.0000 H 0 0 0
- 2.1283 2.5211 0.0000 H 0 0 0
- 1.1239 3.8918 0.0000 H 0 0 0
- -3.5517 0.7246 0.0000 H 0 0 0
- -4.3771 -0.7608 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 6 9 2 0
- 7 10 2 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71711-58-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.1945 0.5200 0.0036 C 0 0 0
- -0.0914 -0.8672 0.0017 C 0 0 0
- 1.6001 0.9499 0.0025 C 0 0 0
- -0.7797 1.4185 0.0008 N 0 0 0
- -1.4325 -1.2914 0.0025 C 0 0 0
- 0.9541 -1.8185 -0.0015 C 0 0 0
- 2.6149 -0.0317 -0.0002 C 0 0 0
- 1.9462 2.3020 0.0038 C 0 0 0
- -2.0661 1.0663 -0.0041 C 0 0 0
- -2.4380 -0.3027 0.0052 C 0 0 0
- -1.7544 -2.6338 0.0002 N 0 0 0
- 2.2499 -1.4443 -0.0020 C 0 0 0
- 0.6127 -3.2863 -0.0038 C 0 0 0
- 3.9571 0.3690 -0.0013 C 0 0 0
- 3.2644 2.6625 0.0023 C 0 0 0
- -3.0775 2.0463 -0.0075 C 0 0 0
- -3.7979 -0.6535 0.0060 C 0 0 0
- 3.3306 -2.4947 -0.0044 C 0 0 0
- 4.2652 1.6989 0.0004 C 0 0 0
- -4.3844 1.6698 -0.0130 C 0 0 0
- -4.7459 0.3235 0.0087 C 0 0 0
- 1.1963 3.0397 0.0000 H 0 0 0
- -2.7629 -2.9328 0.0000 H 0 0 0
- -0.9912 -3.3577 0.0000 H 0 0 0
- -0.4119 -3.0480 0.0000 H 0 0 0
- 0.3744 -4.3109 0.0000 H 0 0 0
- 1.6373 -3.5246 0.0000 H 0 0 0
- 4.7238 -0.3512 0.0000 H 0 0 0
- 3.5244 3.6818 0.0000 H 0 0 0
- -2.8228 3.0669 0.0000 H 0 0 0
- -4.0825 -1.6662 0.0000 H 0 0 0
- 2.5974 -3.2490 0.0000 H 0 0 0
- 4.0849 -3.2279 0.0000 H 0 0 0
- 4.0638 -1.7404 0.0000 H 0 0 0
- 5.2737 1.9980 0.0000 H 0 0 0
- -5.1350 2.4068 0.0000 H 0 0 0
- -5.7641 0.0592 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 12 1 0
- 9 10 1 0
- 15 19 1 0
- 20 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.0472 -0.2619 0.0029 C 0 0 0
- 0.8829 -1.2933 0.0014 C 0 0 0
- 0.3845 1.0587 0.0019 C 0 0 0
- -1.4136 -0.5516 -0.0003 N 0 0 0
- 2.2334 -1.0033 -0.0012 C 0 0 0
- 1.7360 1.3415 -0.0007 C 0 0 0
- -2.3933 0.5377 0.0013 C 0 0 0
- 2.6596 0.3120 -0.0022 C 0 0 0
- -3.8069 -0.0478 -0.0029 C 0 0 0
- 0.5624 -2.2844 0.0000 H 0 0 0
- -0.3106 1.8345 0.0000 H 0 0 0
- -1.7360 -1.5421 0.0000 H 0 0 0
- 2.9315 -1.7764 0.0000 H 0 0 0
- 2.0603 2.3313 0.0000 H 0 0 0
- -1.5451 1.1423 0.0000 H 0 0 0
- -2.8981 1.4488 0.0000 H 0 0 0
- 3.6786 0.5281 0.0000 H 0 0 0
- -4.2055 0.9145 0.0000 H 0 0 0
- -4.7692 -0.4464 0.0000 H 0 0 0
- -3.4083 -1.0101 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5869-25-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -1.2157 -0.0079 0.0021 C 0 0 0
- -0.5771 -1.1324 0.0017 C 0 0 0
- -0.2900 1.1239 0.0013 C 0 0 0
- -2.6640 0.1602 -0.0025 C 0 0 0
- 0.8616 -0.8242 0.0005 C 0 0 0
- -1.4058 -2.3530 0.0026 C 0 0 0
- 1.0383 0.4920 0.0006 C 0 0 0
- -0.8137 2.3243 0.0011 C 0 0 0
- -3.1573 1.5479 -0.0015 C 0 0 0
- -3.4014 -0.9242 -0.0067 C 0 0 0
- 2.0416 -1.7089 -0.0015 C 0 0 0
- -2.7219 -2.2385 0.0036 C 0 0 0
- 2.3985 1.0522 0.0005 C 0 0 0
- -2.2715 2.5278 0.0013 C 0 0 0
- 3.2547 -1.2040 -0.0023 C 0 0 0
- 3.4457 0.2565 -0.0005 C 0 0 0
- 4.6961 0.7785 -0.0004 N 0 0 0
- -0.9356 -3.3420 0.0000 H 0 0 0
- -0.1518 3.1967 0.0000 H 0 0 0
- -4.2312 1.7619 0.0000 H 0 0 0
- -4.4945 -0.8585 0.0000 H 0 0 0
- 1.9056 -2.7955 0.0000 H 0 0 0
- -3.3313 -3.1483 0.0000 H 0 0 0
- 2.5400 2.1381 0.0000 H 0 0 0
- -2.6455 3.5570 0.0000 H 0 0 0
- 4.1243 -1.8695 0.0000 H 0 0 0
- 5.5667 0.1143 0.0000 H 0 0 0
- 4.8360 1.8646 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 2 0
- 16 17 1 0
- 5 7 2 0
- 9 14 2 0
- 10 12 1 0
- 15 16 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120693-41-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- -1.3115 -0.1703 0.2808 C 0 0 0
- -1.9925 -1.4641 0.6185 C 0 0 1
- 0.0965 -0.1457 0.1448 C 0 0 0
- -2.0169 0.9758 0.1089 C 0 0 0
- -3.4625 -1.5580 0.2574 C 0 0 2
- -2.4458 -2.1745 -0.5356 O 0 0 0
- 0.7567 1.1220 -0.1778 C 0 0 0
- 0.8506 -1.3059 0.3152 C 0 0 0
- -3.5191 0.9504 0.2458 C 0 0 1
- -1.3838 2.1847 -0.1966 C 0 0 0
- -4.0644 -0.3247 -0.3951 C 0 0 1
- 2.1425 1.1770 -0.3171 C 0 0 0
- -0.0388 2.2763 -0.3413 C 0 0 0
- 2.2362 -1.2513 0.1775 C 0 0 0
- -3.8719 0.9803 1.6302 O 0 0 0
- -3.7600 -0.3278 -1.7913 O 0 0 0
- 2.8966 0.0177 -0.1461 C 0 0 0
- 2.8205 2.4811 -0.6498 C 0 0 0
- 3.0310 -2.4061 0.3441 C 0 0 0
- 4.3019 0.0366 -0.2785 C 0 0 0
- 3.1794 3.2140 0.6444 C 0 0 0
- 4.3781 -2.3179 0.2033 C 0 0 0
- 5.0064 -1.1106 -0.1047 C 0 0 0
- -1.0951 -1.9854 0.0000 H 0 0 0
- -4.2290 -2.2577 0.0000 H 0 0 0
- 0.3736 -2.2276 0.0000 H 0 0 0
- -3.4840 1.9876 0.0000 H 0 0 0
- -1.9510 3.0538 0.0000 H 0 0 0
- -5.1019 -0.3506 0.0000 H 0 0 0
- 0.4123 3.2109 0.0000 H 0 0 0
- -4.9060 1.0679 0.0000 H 0 0 0
- -2.7223 -0.3384 0.0000 H 0 0 0
- 3.3856 1.6106 0.0000 H 0 0 0
- 3.8564 2.5435 0.0000 H 0 0 0
- 2.5784 -3.3400 0.0000 H 0 0 0
- 4.8025 0.9457 0.0000 H 0 0 0
- 4.1114 2.7576 0.0000 H 0 0 0
- 3.6358 4.1460 0.0000 H 0 0 0
- 2.2474 3.6704 0.0000 H 0 0 0
- 4.9452 -3.1870 0.0000 H 0 0 0
- 6.0436 -1.0738 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 2 0
- 20 23 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 22 23 1 0
- 2 24 1 0
- 5 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84736-60-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.0392 -0.1294 0.0043 C 0 0 0
- -0.2805 -1.2929 0.0040 C 0 0 0
- -0.4081 1.1074 0.0028 C 0 0 0
- -2.4364 -0.2036 0.0004 N 0 0 0
- 1.0983 -1.2163 0.0022 C 0 0 0
- 0.9715 1.1772 0.0010 C 0 0 0
- -3.1712 0.9263 0.0007 C 0 0 0
- -3.0785 -1.4656 -0.0040 O 0 0 0
- 1.7238 0.0172 0.0007 C 0 0 0
- -4.3824 0.8620 -0.0028 O 0 0 0
- 3.2020 0.0956 -0.0013 N 0 3 0
- 3.7542 1.1812 -0.0026 O 0 0 0
- 3.8660 -0.9255 -0.0016 O 0 5 0
- -0.7489 -2.2180 0.0000 H 0 0 0
- -0.9718 1.9777 0.0000 H 0 0 0
- 1.6653 -2.0845 0.0000 H 0 0 0
- 1.4434 2.1006 0.0000 H 0 0 0
- -2.7010 1.8505 0.0000 H 0 0 0
- -3.5487 -2.3898 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 9 2 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-603-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.4969 -0.3639 0.0361 C 0 0 0
- -0.4902 0.6060 -0.0612 C 0 0 0
- 1.9242 0.0277 0.0147 N 0 3 0
- 0.1471 -1.6955 0.1587 C 0 0 0
- -1.8324 0.2331 -0.0401 C 0 0 0
- -0.1387 1.9556 -0.1796 N 0 0 0
- 2.6793 -0.4675 -0.8026 O 0 0 0
- 2.3435 0.8451 0.8144 O 0 5 0
- -1.1852 -2.0641 0.1848 C 0 0 0
- -2.1744 -1.1038 0.0777 C 0 0 0
- -2.8045 1.1797 -0.1347 O 0 0 0
- 0.8837 -2.4225 0.0000 H 0 0 0
- 0.8591 2.2305 0.0000 H 0 0 0
- -0.8756 2.6823 0.0000 H 0 0 0
- -1.4416 -3.0668 0.0000 H 0 0 0
- -3.1705 -1.3847 0.0000 H 0 0 0
- -3.5460 1.9017 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 9 10 2 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7417-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.1951 -0.2487 -0.0012 N 0 0 0
- -1.0914 0.1528 -0.0003 C 0 0 0
- 1.1437 0.6255 0.0000 N 0 0 0
- 0.5163 -1.6781 0.0027 C 0 0 0
- -1.4218 1.6232 0.0020 C 0 0 0
- -1.9798 -0.6659 -0.0014 O 0 0 0
- 2.3064 0.2626 -0.0008 O 0 0 0
- -0.4488 -1.8950 0.0000 H 0 0 0
- 0.7332 -2.6432 0.0000 H 0 0 0
- 1.4814 -1.4612 0.0000 H 0 0 0
- -0.4567 1.8401 0.0000 H 0 0 0
- -1.6387 2.5883 0.0000 H 0 0 0
- -2.3869 1.4063 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3032-55-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- -0.0001 0.6790 -0.6038 C 0 0 0
- -1.2494 1.0831 0.1816 C 0 0 0
- 1.2491 1.0835 0.1816 C 0 0 0
- 0.0001 -0.8360 -0.8175 C 0 0 0
- -0.0002 1.3855 -1.9610 C 0 0 0
- -2.4161 0.7053 -0.5520 O 0 0 0
- 2.4159 0.7061 -0.5520 O 0 0 0
- 0.0002 -1.4958 0.4500 O 0 0 0
- -3.5330 1.1036 0.2220 N 0 3 0
- 3.5327 1.1046 0.2220 N 0 3 0
- 0.0004 -2.8872 0.1872 N 0 3 0
- -3.3649 1.6557 1.2946 O 0 0 0
- -4.6617 0.8940 -0.1849 O 0 5 0
- 4.6615 0.8954 -0.1849 O 0 0 0
- 3.3644 1.6567 1.2946 O 0 5 0
- 0.0005 -3.2898 -0.9624 O 0 0 0
- 0.0006 -3.6814 1.1106 O 0 5 0
- -0.7354 1.7914 0.0000 H 0 0 0
- -1.7637 1.7912 0.0000 H 0 0 0
- 1.7631 1.7918 0.0000 H 0 0 0
- 0.7348 1.7916 0.0000 H 0 0 0
- -0.7579 -0.3985 0.0000 H 0 0 0
- -0.7578 -1.2737 0.0000 H 0 0 0
- 0.8750 1.3856 0.0000 H 0 0 0
- -0.0003 2.2607 0.0000 H 0 0 0
- -0.8754 1.3854 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 2 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 11 16 2 0
- 11 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 5 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-42017-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- -3.9245 0.6526 0.2991 C 0 0 0
- -5.2114 1.2706 -0.1839 C 0 0 0
- -3.8016 -0.6682 -0.2322 O 0 0 0
- -2.7426 1.5033 -0.1703 C 0 0 0
- -3.9317 0.5889 1.8278 C 0 0 0
- -5.5396 2.5169 0.1912 O 0 0 0
- -5.9476 0.6441 -0.9087 O 0 0 0
- -2.4866 -0.9964 -0.1667 C 0 0 0
- -1.9256 -1.3721 1.0486 C 0 0 0
- -1.7052 -0.9614 -1.3166 C 0 0 0
- -0.5919 -1.7059 1.1195 C 0 0 0
- -0.3710 -1.2935 -1.2548 C 0 0 0
- 0.1988 -1.6666 -0.0331 C 0 0 0
- 1.6283 -2.0229 0.0381 C 0 0 0
- 2.6558 -0.9617 0.0203 C 0 0 0
- 1.9610 -3.1901 0.1115 O 0 0 0
- 4.0095 -1.2974 -0.0563 C 0 0 0
- 2.2772 0.3822 0.0741 C 0 0 0
- 4.9637 -0.3022 -0.0726 C 0 0 0
- 3.2408 1.3678 0.0572 C 0 0 0
- 4.5823 1.0281 -0.0131 C 0 0 0
- 5.7898 2.2752 -0.0341 Cl 0 0 0
- -2.1402 0.6664 0.0000 H 0 0 0
- -1.9057 2.1057 0.0000 H 0 0 0
- -3.3450 2.3402 0.0000 H 0 0 0
- -4.9564 0.7047 0.0000 H 0 0 0
- -4.0475 -0.4358 0.0000 H 0 0 0
- -2.9070 0.4731 0.0000 H 0 0 0
- -5.8022 3.5141 0.0000 H 0 0 0
- -2.3439 -2.3146 0.0000 H 0 0 0
- -1.6027 0.0647 0.0000 H 0 0 0
- -0.6926 -2.7322 0.0000 H 0 0 0
- 0.0418 -0.3485 0.0000 H 0 0 0
- 4.2961 -2.2879 0.0000 H 0 0 0
- 1.2780 0.6371 0.0000 H 0 0 0
- 5.9647 -0.5499 0.0000 H 0 0 0
- 2.9614 2.3604 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 8 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 2 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 21 22 1 0
- 12 13 1 0
- 20 21 1 0
- 4 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 5 27 1 0
- 5 28 1 0
- 6 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55804-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- -2.5083 -1.8376 0.3725 O 0 0 0
- -1.7755 -0.9632 -0.0507 C 0 0 0
- -0.5657 -1.2568 -0.5873 O 0 0 0
- -2.1712 0.4556 -0.0056 C 0 0 0
- 0.4596 -0.3996 -0.3546 C 0 0 0
- -3.5860 0.8504 0.0466 C 0 0 0
- -1.1566 1.4079 -0.0136 C 0 0 0
- 1.7635 -0.8320 -0.3635 C 0 0 0
- 0.1852 0.9622 -0.0997 C 0 0 0
- -4.5492 -0.0929 0.0537 O 0 0 0
- -3.8876 2.0274 0.0832 O 0 0 0
- 2.8267 0.0547 -0.1402 C 0 0 0
- 2.1147 -2.2762 -0.6286 C 0 0 0
- 1.2537 1.8529 0.0751 C 0 0 0
- -5.9469 0.2972 0.1052 C 0 0 0
- 2.5447 1.4041 0.0457 C 0 0 0
- 4.0891 -0.5051 -0.1374 N 0 0 0
- 3.0899 -2.7260 0.4590 C 0 0 0
- -6.8262 -0.9549 0.1026 C 0 0 0
- 3.6451 2.4265 0.2144 C 0 0 0
- 4.1150 -1.6522 0.7666 C 0 0 0
- 5.0788 0.4321 0.3938 C 0 0 0
- 4.9506 1.7953 -0.2884 C 0 0 0
- -1.3794 2.4207 0.0000 H 0 0 0
- 1.0778 -2.2917 0.0000 H 0 0 0
- 1.9000 -3.2907 0.0000 H 0 0 0
- 1.0679 2.8731 0.0000 H 0 0 0
- -5.5569 1.2581 0.0000 H 0 0 0
- -6.8575 0.7934 0.0000 H 0 0 0
- 2.5548 -3.6143 0.0000 H 0 0 0
- 3.9141 -3.3554 0.0000 H 0 0 0
- -7.6749 -0.3589 0.0000 H 0 0 0
- -7.4222 -1.8036 0.0000 H 0 0 0
- -5.9775 -1.5509 0.0000 H 0 0 0
- 4.2084 3.2972 0.0000 H 0 0 0
- 2.8507 3.0931 0.0000 H 0 0 0
- 4.6540 -2.5381 0.0000 H 0 0 0
- 5.1103 -1.3611 0.0000 H 0 0 0
- 5.6090 -0.4591 0.0000 H 0 0 0
- 6.0647 0.7536 0.0000 H 0 0 0
- 5.9836 1.7046 0.0000 H 0 0 0
- 5.2262 2.7950 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 1 0
- 11 6 2 0
- 12 8 1 0
- 13 8 1 0
- 14 9 2 0
- 15 10 1 0
- 16 12 2 0
- 17 12 1 0
- 18 13 1 0
- 19 15 1 0
- 20 16 1 0
- 21 17 1 0
- 22 17 1 0
- 23 20 1 0
- 7 9 1 0
- 14 16 1 0
- 18 21 1 0
- 22 23 1 0
- 7 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109460-96-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.6411 -0.7970 -0.5234 C 0 0 0
- -0.5474 0.0501 -0.6642 C 0 0 0
- 1.8596 -0.2394 -0.1119 C 0 0 0
- 0.5644 -2.1697 -0.7938 C 0 0 0
- -1.7265 -0.3107 -0.0516 C 0 0 0
- 2.9726 -1.0448 0.0176 C 0 0 0
- 1.9780 1.6101 0.2638 Br 0 0 0
- 1.6861 -2.9581 -0.6590 C 0 0 0
- -2.9573 0.4478 -0.3210 C 0 0 0
- -1.7543 -1.4245 0.8480 C 0 0 0
- 2.8877 -2.3982 -0.2574 C 0 0 0
- -4.1117 0.0945 0.2790 O 0 0 0
- -2.9337 1.3933 -1.0846 O 0 0 0
- -1.7763 -2.3081 1.5616 N 0 0 0
- -5.3269 0.8434 0.0130 C 0 0 0
- -0.3842 1.0540 0.0000 H 0 0 0
- -0.3509 -2.6131 0.0000 H 0 0 0
- 3.8924 -0.6108 0.0000 H 0 0 0
- 1.5964 -3.9712 0.0000 H 0 0 0
- 3.7279 -2.9714 0.0000 H 0 0 0
- -4.7933 1.7092 0.0000 H 0 0 0
- -6.1927 1.3770 0.0000 H 0 0 0
- -5.8605 -0.0224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 9 12 1 0
- 9 13 2 0
- 10 14 3 0
- 12 15 1 0
- 8 11 1 0
- 2 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 15 21 1 0
- 15 22 1 0
- 15 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5443-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.3249 -0.8728 0.1164 C 0 0 0
- 0.0399 -1.5872 0.1273 C 0 0 0
- 1.5439 0.1943 0.9943 C 0 0 0
- 2.3377 -1.2603 -0.7683 C 0 0 0
- -1.1214 -0.8922 0.0867 C 0 0 0
- 2.7518 0.8590 0.9777 C 0 0 0
- 3.5396 -0.5854 -0.7723 C 0 0 0
- -2.3507 -1.5607 0.2708 C 0 0 0
- -1.0962 0.9742 -0.2165 Br 0 0 0
- 3.7462 0.4732 0.0957 C 0 0 0
- -3.3922 -0.9374 0.2343 O 0 0 0
- 0.0237 -2.6021 0.0000 H 0 0 0
- 0.7268 0.7965 0.0000 H 0 0 0
- 2.4118 -2.2726 0.0000 H 0 0 0
- 2.6844 1.8718 0.0000 H 0 0 0
- 4.3622 -1.1801 0.0000 H 0 0 0
- -2.3716 -2.5755 0.0000 H 0 0 0
- 4.6350 0.9634 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 2 0
- 7 10 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-90-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.1968 0.1925 0.0869 C 0 0 0
- 0.0003 0.8870 0.0019 C 0 0 0
- 2.3716 0.8700 0.1752 O 0 0 0
- 1.1937 -1.1955 0.0876 C 0 0 0
- -1.1967 0.1929 -0.0875 C 0 0 0
- 3.4091 -0.1100 0.2476 C 0 0 0
- -0.0006 -1.8848 0.0036 C 0 0 0
- -2.3714 0.8710 -0.1714 O 0 0 0
- -1.1941 -1.1946 -0.0918 C 0 0 0
- 4.7657 0.5901 0.3492 C 0 0 0
- -3.4090 -0.1084 -0.2501 C 0 0 0
- 5.8765 -0.4591 0.4267 C 0 0 0
- 5.5679 0.2406 -0.7805 O 0 0 0
- -4.7656 0.5924 -0.3472 C 0 0 0
- -5.8765 -0.4562 -0.4315 C 0 0 0
- -5.5678 0.2356 0.7802 O 0 0 0
- 0.0005 1.9247 0.0000 H 0 0 0
- 2.0917 -1.7154 0.0000 H 0 0 0
- 2.6164 -0.7796 0.0000 H 0 0 0
- 3.9855 -0.9729 0.0000 H 0 0 0
- -0.0010 -2.9225 0.0000 H 0 0 0
- -2.0925 -1.7140 0.0000 H 0 0 0
- 4.7317 1.6272 0.0000 H 0 0 0
- -3.9857 -0.9711 0.0000 H 0 0 0
- -2.6165 -0.7783 0.0000 H 0 0 0
- 5.5050 -1.4280 0.0000 H 0 0 0
- 6.9139 -0.4335 0.0000 H 0 0 0
- -4.7353 1.6296 0.0000 H 0 0 0
- -6.9138 -0.4275 0.0000 H 0 0 0
- -5.5066 -1.4257 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 14 16 1 0
- 7 9 1 0
- 12 13 1 0
- 15 16 1 0
- 2 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- 0.2359 0.8426 -0.2286 N 0 0 0
- -0.0688 -0.5123 -0.3251 N 0 0 0
- 1.5116 1.3427 0.0550 C 0 0 0
- -0.8466 1.6127 -0.4475 C 0 0 0
- 0.8626 -1.5415 -0.1489 C 0 0 0
- -1.3701 -0.7106 -0.6080 C 0 0 0
- 2.2400 1.9916 -0.9331 C 0 0 0
- 2.0496 1.1962 1.3271 C 0 0 0
- -1.9959 0.6643 -0.7190 C 0 0 0
- -0.8924 2.8246 -0.4300 O 0 0 0
- 0.8008 -2.3504 0.9780 C 0 0 0
- 1.8474 -1.7599 -1.1037 C 0 0 0
- -1.9285 -1.7776 -0.7526 O 0 0 0
- 3.4991 2.4841 -0.6499 C 0 0 0
- 3.3088 1.6908 1.6038 C 0 0 0
- -3.0585 0.8257 0.3699 C 0 0 0
- 1.7218 -3.3656 1.1490 C 0 0 0
- 2.7652 -2.7764 -0.9269 C 0 0 0
- 4.0341 2.3316 0.6158 C 0 0 0
- -4.3612 0.1660 -0.0869 C 0 0 0
- 2.7044 -3.5767 0.1995 C 0 0 0
- -5.4237 0.3275 1.0021 C 0 0 0
- -6.7264 -0.3323 0.5452 C 0 0 0
- 1.7237 2.8331 0.0000 H 0 0 0
- 2.1031 0.2104 0.0000 H 0 0 0
- -2.2588 1.6159 0.0000 H 0 0 0
- -0.1331 -2.6706 0.0000 H 0 0 0
- 2.3442 -0.9068 0.0000 H 0 0 0
- 3.4521 3.4702 0.0000 H 0 0 0
- 3.8239 0.8486 0.0000 H 0 0 0
- -2.6133 1.7069 0.0000 H 0 0 0
- -3.7569 1.5235 0.0000 H 0 0 0
- 1.2288 -4.2210 0.0000 H 0 0 0
- 3.6994 -2.4571 0.0000 H 0 0 0
- 4.9969 2.5499 0.0000 H 0 0 0
- -4.8065 -0.7151 0.0000 H 0 0 0
- -3.6628 -0.5318 0.0000 H 0 0 0
- 3.2953 -4.3676 0.0000 H 0 0 0
- -4.9785 1.2086 0.0000 H 0 0 0
- -6.1221 1.0253 0.0000 H 0 0 0
- -7.1725 0.5484 0.0000 H 0 0 0
- -7.6071 -0.7784 0.0000 H 0 0 0
- -6.2803 -1.2130 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 16 20 1 0
- 17 21 2 0
- 20 22 1 0
- 22 23 1 0
- 6 9 1 0
- 15 19 1 0
- 18 21 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-584-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.2630 0.3405 0.0038 C 0 0 0
- -0.2682 -0.6443 0.0044 C 0 0 0
- -0.8833 1.7642 0.0003 C 0 0 0
- -2.5419 -0.0064 0.0009 N 0 0 0
- 1.0789 -0.2646 0.0016 C 0 0 0
- 0.4481 2.1279 -0.0024 C 0 0 0
- -1.9521 2.8266 -0.0008 C 0 0 0
- -2.8617 -1.2148 -0.0013 C 0 0 0
- 1.4364 1.1651 -0.0019 C 0 0 0
- 2.0298 -1.1875 0.0025 N 0 0 0
- -3.1707 -2.3826 -0.0035 O 0 0 0
- 3.2322 -0.8461 0.0000 C 0 0 0
- 4.3943 -0.5161 -0.0024 O 0 0 0
- -0.5270 -1.6462 0.0000 H 0 0 0
- 0.7070 3.1298 0.0000 H 0 0 0
- -1.2226 3.5605 0.0000 H 0 0 0
- -2.6860 3.5561 0.0000 H 0 0 0
- -2.6816 2.0927 0.0000 H 0 0 0
- 2.4318 1.4478 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 8 11 2 0
- 10 12 2 0
- 12 13 2 0
- 6 9 2 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-05-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -1.7846 -0.0140 0.0028 C 0 0 0
- -0.4767 0.5589 -0.0549 O 0 0 0
- -2.0022 -0.9123 -1.2164 C 0 0 0
- -1.9212 -0.8454 1.2799 C 0 0 0
- -2.8306 1.1026 0.0069 C 0 0 0
- 0.4767 -0.5588 -0.0559 O 0 0 0
- 1.7846 0.0140 0.0029 C 0 0 0
- 2.8306 -1.1026 0.0049 C 0 0 0
- 2.0022 0.9145 -1.2148 C 0 0 0
- 1.9212 0.8432 1.2814 C 0 0 0
- -3.0430 -0.6602 0.0000 H 0 0 0
- -2.2543 -1.9531 0.0000 H 0 0 0
- -0.9614 -1.1644 0.0000 H 0 0 0
- -2.9779 -0.6718 0.0000 H 0 0 0
- -2.0948 -1.9021 0.0000 H 0 0 0
- -0.8645 -1.0190 0.0000 H 0 0 0
- -2.0491 1.8347 0.0000 H 0 0 0
- -3.5627 1.8841 0.0000 H 0 0 0
- -3.6121 0.3705 0.0000 H 0 0 0
- 2.0491 -1.8347 0.0000 H 0 0 0
- 3.5627 -1.8841 0.0000 H 0 0 0
- 3.6121 -0.3705 0.0000 H 0 0 0
- 3.0431 0.6630 0.0000 H 0 0 0
- 2.2537 1.9554 0.0000 H 0 0 0
- 0.9613 1.1660 0.0000 H 0 0 0
- 2.9778 0.6691 0.0000 H 0 0 0
- 2.0953 1.8998 0.0000 H 0 0 0
- 0.8646 1.0173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 7 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-132335-15-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.0478 1.8364 -0.2456 C 0 0 0
- -0.5163 0.4423 -0.1130 C 0 0 0
- 1.5757 1.9962 -0.2714 C 0 0 0
- 0.8058 2.1712 0.9674 N 0 0 0
- 0.3254 -0.6464 -0.0192 C 0 0 0
- -1.9076 0.2579 -0.0845 C 0 0 0
- 2.4148 0.7448 -0.1644 C 0 0 0
- 1.8018 -0.4971 -0.0449 C 0 0 0
- -0.2160 -1.9424 0.1055 C 0 0 0
- -2.4360 -1.0514 0.0407 C 0 0 0
- -2.7881 1.3505 -0.1785 C 0 0 0
- 3.7914 0.8432 -0.1849 C 0 0 0
- 2.5954 -1.6438 0.0541 C 0 0 0
- -1.5565 -2.1445 0.1353 C 0 0 0
- -3.8288 -1.2321 0.0689 C 0 0 0
- -4.1317 1.1368 -0.1477 C 0 0 0
- 4.5698 -0.2959 -0.0877 C 0 0 0
- 3.9696 -1.5366 0.0331 C 0 0 0
- -4.6507 -0.1508 -0.0243 C 0 0 0
- -0.6999 2.5610 0.0000 H 0 0 0
- 2.1652 2.8545 0.0000 H 0 0 0
- 0.7058 3.2076 0.0000 H 0 0 0
- 0.4243 -2.7634 0.0000 H 0 0 0
- -2.4141 2.3222 0.0000 H 0 0 0
- 4.2443 1.7807 0.0000 H 0 0 0
- 2.1484 -2.5841 0.0000 H 0 0 0
- -1.9348 -3.1146 0.0000 H 0 0 0
- -4.2303 -2.1928 0.0000 H 0 0 0
- -4.7805 1.9512 0.0000 H 0 0 0
- 5.6081 -0.2185 0.0000 H 0 0 0
- 4.5567 -2.3965 0.0000 H 0 0 0
- -5.6826 -0.2893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 2 0
- 12 17 2 0
- 13 18 2 0
- 15 19 2 0
- 3 4 1 0
- 7 8 2 0
- 10 14 1 0
- 16 19 1 0
- 17 18 1 0
- 1 20 1 0
- 3 21 1 0
- 4 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-527-85-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.6164 -0.2797 -0.0161 C 0 0 0
- 2.2830 -0.6610 1.0915 N 0 0 0
- 2.2302 0.0293 -1.0187 O 0 0 0
- 0.1384 -0.2430 -0.0134 C 0 0 0
- -0.5322 0.9773 0.0802 C 0 0 0
- -0.5925 -1.4284 -0.1103 C 0 0 0
- 0.2486 2.2625 0.1789 C 0 0 0
- -1.9117 1.0046 0.0817 C 0 0 0
- -1.9712 -1.3871 -0.1077 C 0 0 0
- -2.6300 -0.1742 -0.0093 C 0 0 0
- 2.2872 -1.6962 0.0000 H 0 0 0
- 3.1775 -0.1398 0.0000 H 0 0 0
- -0.1015 -2.3398 0.0000 H 0 0 0
- 1.1334 1.7250 0.0000 H 0 0 0
- 0.7861 3.1473 0.0000 H 0 0 0
- -0.6362 2.8000 0.0000 H 0 0 0
- -2.4097 1.9122 0.0000 H 0 0 0
- -2.5137 -2.2688 0.0000 H 0 0 0
- -3.6649 -0.1485 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 2 0
- 9 10 1 0
- 2 11 1 0
- 2 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-43-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 3.0048 -0.2712 -0.0002 C 0 0 0
- 1.5943 -0.8018 0.0030 C 0 0 0
- 4.0729 -1.1475 -0.0521 C 0 0 0
- 3.2306 1.0917 0.0430 C 0 0 0
- 0.6747 0.2904 0.0608 O 0 0 0
- 1.3496 -1.6075 -1.2744 C 0 0 0
- 1.3917 -1.7041 1.2219 C 0 0 0
- 5.3665 -0.6609 -0.0550 C 0 0 0
- 4.5246 1.5785 0.0400 C 0 0 0
- -0.6747 -0.2902 0.0611 O 0 0 0
- 5.5925 0.7022 -0.0060 C 0 0 0
- -1.5944 0.8019 0.0023 C 0 0 0
- -3.0049 0.2713 -0.0005 C 0 0 0
- -1.3917 1.7054 1.2203 C 0 0 0
- -1.3496 1.6065 -1.2759 C 0 0 0
- -4.0726 1.1473 -0.0532 C 0 0 0
- -3.2307 -1.0920 0.0440 C 0 0 0
- -5.3667 0.6605 -0.0557 C 0 0 0
- -4.5243 -1.5786 0.0415 C 0 0 0
- -5.5925 -0.7021 -0.0054 C 0 0 0
- 3.9041 -2.1700 0.0000 H 0 0 0
- 2.4297 1.7494 0.0000 H 0 0 0
- 0.3580 -1.3063 0.0000 H 0 0 0
- 1.0484 -2.5991 0.0000 H 0 0 0
- 2.3412 -1.9087 0.0000 H 0 0 0
- 0.3805 -1.4771 0.0000 H 0 0 0
- 1.1647 -2.7153 0.0000 H 0 0 0
- 2.4029 -1.9311 0.0000 H 0 0 0
- 6.1673 -1.3187 0.0000 H 0 0 0
- 4.6935 2.6010 0.0000 H 0 0 0
- 6.5625 1.0669 0.0000 H 0 0 0
- -0.3805 1.4785 0.0000 H 0 0 0
- -1.1648 2.7166 0.0000 H 0 0 0
- -2.4029 1.9323 0.0000 H 0 0 0
- -0.3581 1.3048 0.0000 H 0 0 0
- -1.0479 2.5980 0.0000 H 0 0 0
- -2.3411 1.9082 0.0000 H 0 0 0
- -3.9038 2.1698 0.0000 H 0 0 0
- -2.4298 -1.7497 0.0000 H 0 0 0
- -6.1675 1.3183 0.0000 H 0 0 0
- -4.6932 -2.6011 0.0000 H 0 0 0
- -6.5625 -1.0669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 9 11 2 0
- 19 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 11 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.1693 -0.4197 0.0000 O 0 0 0
- -1.0442 0.1540 0.0000 C 0 0 0
- 1.3631 0.4070 0.0000 C 0 0 0
- -2.2832 -0.7040 0.0000 C 0 0 0
- -1.1432 1.3582 0.0000 O 0 0 0
- 2.6036 -0.4887 0.0000 C 0 0 0
- -3.5236 0.1916 0.0000 C 0 0 0
- 3.8614 0.3824 0.0000 C 0 0 0
- -4.7815 -0.6794 0.0000 C 0 0 0
- 5.1019 -0.5132 0.0000 C 0 0 0
- 2.1356 1.2554 0.0000 H 0 0 0
- 0.6074 1.2705 0.0000 H 0 0 0
- -3.0557 -1.5524 0.0000 H 0 0 0
- -1.5275 -1.5675 0.0000 H 0 0 0
- 1.8311 -1.3371 0.0000 H 0 0 0
- 3.3593 -1.3522 0.0000 H 0 0 0
- -2.7511 1.0400 0.0000 H 0 0 0
- -4.2793 1.0551 0.0000 H 0 0 0
- 4.6339 1.2309 0.0000 H 0 0 0
- 3.1057 1.2458 0.0000 H 0 0 0
- -5.4347 0.2640 0.0000 H 0 0 0
- -5.7249 -1.3326 0.0000 H 0 0 0
- -4.1283 -1.6228 0.0000 H 0 0 0
- 4.4302 -1.4435 0.0000 H 0 0 0
- 6.0322 -1.1849 0.0000 H 0 0 0
- 5.7736 0.4171 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-305-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -1.0672 0.2902 0.1064 C 0 0 0
- -2.3814 -0.1773 0.0339 N 0 0 0
- -0.3821 0.2568 1.3141 C 0 0 0
- -0.4403 0.7844 -1.0308 C 0 0 0
- -2.6537 -1.5196 -0.4861 C 0 0 0
- -3.4874 0.6746 0.4780 C 0 0 0
- 0.9176 0.7195 1.3821 C 0 0 0
- 0.8591 1.2454 -0.9557 C 0 0 0
- -2.2125 -2.5638 0.5414 C 0 0 0
- -3.8771 1.6331 -0.6491 C 0 0 0
- 1.5366 1.2155 0.2497 C 0 0 0
- -2.5477 -4.2157 -0.0986 Cl 0 0 0
- -5.2383 2.6815 -0.1026 Cl 0 0 0
- 2.9545 1.7199 0.3279 C 0 0 0
- 3.9216 0.5693 0.0419 C 0 0 0
- 5.3612 1.0815 0.1212 C 0 0 0
- 6.3137 -0.0518 -0.1605 C 0 0 0
- 7.6383 0.1652 -0.1451 O 0 0 0
- 5.8851 -1.1558 -0.4001 O 0 0 0
- -0.2310 -0.7662 0.0000 H 0 0 0
- -0.9399 1.6898 0.0000 H 0 0 0
- -3.5491 -1.0024 0.0000 H 0 0 0
- -3.4288 -2.2041 0.0000 H 0 0 0
- -4.5207 0.6346 0.0000 H 0 0 0
- -3.8017 -0.3105 0.0000 H 0 0 0
- 1.4213 -0.1836 0.0000 H 0 0 0
- 0.7062 2.2681 0.0000 H 0 0 0
- -1.3171 -3.0810 0.0000 H 0 0 0
- -1.4374 -1.8793 0.0000 H 0 0 0
- -2.8438 1.6731 0.0000 H 0 0 0
- -3.5628 2.6182 0.0000 H 0 0 0
- 3.8195 2.2865 0.0000 H 0 0 0
- 2.4947 2.6461 0.0000 H 0 0 0
- 3.0566 0.0027 0.0000 H 0 0 0
- 4.3815 -0.3569 0.0000 H 0 0 0
- 6.2262 1.6481 0.0000 H 0 0 0
- 4.9013 2.0077 0.0000 H 0 0 0
- 8.6588 0.3324 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 8 11 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 14 32 1 0
- 14 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.0000 -0.3893 0.0000 O 0 0 0
- -1.1472 0.4627 0.0000 C 0 0 0
- 1.1472 0.4627 0.0000 C 0 0 0
- -2.4167 -0.3913 0.0000 C 0 0 0
- 2.4167 -0.3913 0.0000 C 0 0 0
- -3.6450 0.5209 0.0000 C 0 0 0
- 3.6450 0.5209 0.0000 C 0 0 0
- -4.9145 -0.3331 0.0000 C 0 0 0
- 4.9145 -0.3331 0.0000 C 0 0 0
- -0.3633 1.3007 0.0000 H 0 0 0
- -1.8912 1.3363 0.0000 H 0 0 0
- 1.8912 1.3363 0.0000 H 0 0 0
- 0.3633 1.3007 0.0000 H 0 0 0
- -3.2006 -1.2293 0.0000 H 0 0 0
- -1.6727 -1.2649 0.0000 H 0 0 0
- 1.6727 -1.2649 0.0000 H 0 0 0
- 3.2006 -1.2293 0.0000 H 0 0 0
- -2.8611 1.3589 0.0000 H 0 0 0
- -4.3890 1.3945 0.0000 H 0 0 0
- 4.3890 1.3945 0.0000 H 0 0 0
- 2.8611 1.3589 0.0000 H 0 0 0
- -5.5550 0.6190 0.0000 H 0 0 0
- -5.8666 -0.9736 0.0000 H 0 0 0
- -4.2740 -1.2852 0.0000 H 0 0 0
- 4.2740 -1.2852 0.0000 H 0 0 0
- 5.8666 -0.9736 0.0000 H 0 0 0
- 5.5550 0.6190 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4067-16-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 0.6309 -0.4326 -0.0047 C 0 0 0
- -0.6309 0.4326 0.0047 C 0 0 0
- 1.8180 0.4328 0.0047 N 0 0 0
- -1.8180 -0.4328 -0.0047 N 0 0 0
- 2.9880 -0.4555 -0.0050 C 0 0 0
- -2.9880 0.4555 0.0050 C 0 0 0
- 4.2664 0.3850 0.0042 C 0 0 0
- -4.2664 -0.3850 -0.0042 C 0 0 0
- 5.4364 -0.5033 -0.0055 N 0 0 0
- -5.4364 0.5033 0.0055 N 0 0 0
- 6.6235 0.3621 0.0040 C 0 0 0
- -6.6235 -0.3621 -0.0040 C 0 0 0
- 7.8853 -0.5031 -0.0055 C 0 0 0
- -7.8853 0.5031 0.0055 C 0 0 0
- 9.0724 0.3623 0.0040 N 0 0 0
- -9.0724 -0.3623 -0.0040 N 0 0 0
- -0.0909 -1.2650 0.0000 H 0 0 0
- 1.3764 -1.2439 0.0000 H 0 0 0
- 0.0909 1.2650 0.0000 H 0 0 0
- -1.3764 1.2439 0.0000 H 0 0 0
- 1.8287 1.5345 0.0000 H 0 0 0
- -1.8287 -1.5345 0.0000 H 0 0 0
- 2.2268 -1.2521 0.0000 H 0 0 0
- 3.6935 -1.3018 0.0000 H 0 0 0
- -2.2268 1.2521 0.0000 H 0 0 0
- -3.6935 1.3018 0.0000 H 0 0 0
- 5.0276 1.1816 0.0000 H 0 0 0
- 3.5609 1.2313 0.0000 H 0 0 0
- -5.0276 -1.1816 0.0000 H 0 0 0
- -3.5609 -1.2313 0.0000 H 0 0 0
- 5.4257 -1.6050 0.0000 H 0 0 0
- -5.4257 1.6050 0.0000 H 0 0 0
- 7.3453 1.1945 0.0000 H 0 0 0
- 5.8780 1.1734 0.0000 H 0 0 0
- -7.3453 -1.1945 0.0000 H 0 0 0
- -5.8780 -1.1734 0.0000 H 0 0 0
- 7.1635 -1.3355 0.0000 H 0 0 0
- 8.6308 -1.3144 0.0000 H 0 0 0
- -7.1635 1.3355 0.0000 H 0 0 0
- -8.6308 1.3144 0.0000 H 0 0 0
- 10.0797 -0.0842 0.0000 H 0 0 0
- 8.9555 1.4579 0.0000 H 0 0 0
- -10.0797 0.0842 0.0000 H 0 0 0
- -8.9555 -1.4579 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 1 17 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-600-24-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.4350 -0.5813 -0.4884 C 0 0 0
- -0.7544 0.1310 -0.0147 N 0 3 0
- 1.6686 -0.0641 0.2542 C 0 0 0
- 0.2714 -2.0793 -0.2239 C 0 0 0
- -1.0718 0.0724 1.1597 O 0 0 0
- -1.4257 0.7817 -0.7954 O 0 5 0
- 1.8322 1.4340 -0.0102 C 0 0 0
- 0.5078 0.4376 0.0000 H 0 0 0
- 1.8999 -1.0591 0.0000 H 0 0 0
- 2.6883 -0.0030 0.0000 H 0 0 0
- -0.7441 -1.9684 0.0000 H 0 0 0
- 0.1605 -3.0948 0.0000 H 0 0 0
- 1.2869 -2.1902 0.0000 H 0 0 0
- 2.8477 1.3231 0.0000 H 0 0 0
- 1.9431 2.4495 0.0000 H 0 0 0
- 0.8167 1.5449 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24305-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- -2.6520 0.6761 0.3883 N 0 0 0
- -2.8146 1.7916 -0.5555 C 0 0 1
- -1.5131 -0.0120 0.6024 C 0 0 0
- -3.9394 0.4391 1.0663 C 0 0 0
- -4.2873 2.2462 -0.4783 C 0 0 0
- -1.9154 2.9300 -0.1474 C 0 0 0
- -0.4836 -0.1247 -0.4924 C 0 0 2
- -1.3167 -0.5405 1.6762 O 0 0 0
- -5.0081 1.0005 0.0955 C 0 0 0
- -1.8964 4.0667 -0.8713 N 0 0 0
- -1.2089 2.8234 0.8326 O 0 0 0
- -0.9105 -1.2086 -1.4842 C 0 0 0
- 0.8126 -0.4795 0.0908 N 0 0 0
- -1.0668 -2.5201 -0.7585 C 0 0 0
- 1.9524 -0.0701 -0.5006 C 0 0 0
- -2.1921 -2.9706 -0.1717 C 0 0 0
- -0.1112 -3.4458 -0.5889 N 0 0 0
- 3.2857 -0.4352 0.0993 C 0 0 2
- 1.9049 0.5920 -1.5156 O 0 0 0
- -1.8960 -4.1944 0.3654 N 0 0 0
- -0.6001 -4.4507 0.0850 C 0 0 0
- 3.3991 0.1768 1.5132 C 0 0 0
- 4.3608 0.1858 -0.6835 N 0 0 0
- 4.8927 0.5735 1.5662 C 0 0 0
- 5.2801 0.7550 0.1151 C 0 0 0
- 6.2756 1.3299 -0.2714 O 0 0 0
- -1.9369 1.5563 0.0000 H 0 0 0
- -4.5819 -0.2035 0.0000 H 0 0 0
- -3.5168 -0.3653 0.0000 H 0 0 0
- -3.9549 3.0919 0.0000 H 0 0 0
- -5.1057 2.6411 0.0000 H 0 0 0
- -0.3137 0.7680 0.0000 H 0 0 0
- -5.8008 1.4449 0.0000 H 0 0 0
- -5.4416 0.2019 0.0000 H 0 0 0
- -1.1020 4.5078 0.0000 H 0 0 0
- -2.6757 4.5341 0.0000 H 0 0 0
- -1.5349 -0.5484 0.0000 H 0 0 0
- -1.7732 -1.4940 0.0000 H 0 0 0
- 0.8479 -1.3875 0.0000 H 0 0 0
- -2.9997 -2.5540 0.0000 H 0 0 0
- 3.4019 -1.3364 0.0000 H 0 0 0
- -2.5249 -4.8503 0.0000 H 0 0 0
- -0.1956 -5.2644 0.0000 H 0 0 0
- 3.2975 1.0798 0.0000 H 0 0 0
- 2.4910 0.2092 0.0000 H 0 0 0
- 4.8273 -0.5940 0.0000 H 0 0 0
- 4.7082 -0.3163 0.0000 H 0 0 0
- 5.6058 0.0102 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 18 15 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 2 0
- 18 22 1 0
- 18 23 1 0
- 22 24 1 0
- 23 25 1 0
- 25 26 2 0
- 5 9 1 0
- 20 21 1 0
- 24 25 1 0
- 2 27 1 0
- 4 28 1 0
- 4 29 1 0
- 5 30 1 0
- 5 31 1 0
- 7 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 16 40 1 0
- 18 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21738-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 0.0465 -0.1513 0.0622 C 0 0 0
- 0.5612 -1.4376 0.0213 C 0 0 0
- 0.9053 0.9426 0.0531 C 0 0 0
- -1.3344 0.0672 0.1188 N 0 0 0
- 1.9329 -1.6236 -0.0233 C 0 0 0
- -0.3384 -2.6453 0.0188 C 0 0 0
- 2.2710 0.7482 0.0067 C 0 0 0
- -2.2430 -1.0507 -0.1698 C 0 0 0
- 2.7840 -0.5357 -0.0307 C 0 0 0
- -1.7178 -2.2861 0.5706 C 0 0 0
- 3.1852 1.9121 -0.0041 N 0 3 0
- -3.6465 -0.7107 0.3355 C 0 0 0
- 4.2751 -0.7482 -0.0794 C 0 0 0
- 3.1919 2.6900 0.9331 O 0 0 0
- 3.9309 2.0920 -0.9502 O 0 5 0
- -4.1302 0.5005 -0.3405 N 0 0 0
- 4.5558 -2.1490 -0.1116 O 0 0 0
- -5.4745 0.7700 0.1871 C 0 0 0
- -5.7411 2.2763 0.1581 C 0 0 0
- -6.5143 0.0514 -0.6751 C 0 0 0
- 0.5180 1.9068 0.0000 H 0 0 0
- -1.7060 1.0376 0.0000 H 0 0 0
- 2.3242 -2.5862 0.0000 H 0 0 0
- -0.7269 -3.6090 0.0000 H 0 0 0
- 0.5676 -3.1541 0.0000 H 0 0 0
- -2.9150 -1.8433 0.0000 H 0 0 0
- -2.7395 -2.4753 0.0000 H 0 0 0
- -1.7550 -3.3245 0.0000 H 0 0 0
- -4.6699 -0.8907 0.0000 H 0 0 0
- -3.6795 -1.7493 0.0000 H 0 0 0
- 5.3105 -0.6603 0.0000 H 0 0 0
- 4.3047 0.2905 0.0000 H 0 0 0
- -3.4653 1.2990 0.0000 H 0 0 0
- 4.7600 -3.1678 0.0000 H 0 0 0
- -5.2646 -0.2477 0.0000 H 0 0 0
- -4.7179 2.4574 0.0000 H 0 0 0
- -5.9222 3.2995 0.0000 H 0 0 0
- -6.7643 2.0952 0.0000 H 0 0 0
- -7.1051 0.9062 0.0000 H 0 0 0
- -7.3691 -0.5394 0.0000 H 0 0 0
- -5.9235 -0.8034 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 18 19 1 0
- 18 20 1 0
- 7 9 1 0
- 8 10 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-38-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.5781 -0.3672 0.0635 C 0 0 0
- -2.6254 0.6227 0.0363 C 0 0 0
- -0.1592 0.0170 0.1338 C 0 0 0
- -1.9651 -1.6909 0.0264 C 0 0 0
- -3.8936 0.1720 -0.0282 C 0 0 0
- 0.7959 -0.9336 0.1577 N 0 0 0
- 0.1516 1.1925 0.1705 O 0 0 0
- -3.6928 -1.5977 -0.0430 S 0 0 0
- -5.1484 0.9564 -0.0684 N 0 3 0
- 2.1456 -0.5710 0.0914 C 0 0 0
- -6.2224 0.3847 -0.1267 O 0 0 0
- -5.1069 2.1734 -0.0433 O 0 5 0
- 3.1245 -1.5502 -0.0197 C 0 0 0
- 2.5086 0.7687 0.1308 C 0 0 0
- 4.4558 -1.1896 -0.0854 C 0 0 0
- 3.8418 1.1240 0.0647 C 0 0 0
- 4.8152 0.1463 -0.0407 C 0 0 0
- 6.4898 0.5962 -0.1229 Cl 0 0 0
- -2.4113 1.6379 0.0000 H 0 0 0
- -1.3654 -2.5376 0.0000 H 0 0 0
- 0.5289 -1.9362 0.0000 H 0 0 0
- 2.8572 -2.5527 0.0000 H 0 0 0
- 1.7765 1.5039 0.0000 H 0 0 0
- 5.1901 -1.9226 0.0000 H 0 0 0
- 4.1121 2.1257 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17683-09-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.5069 -0.4167 0.0006 C 0 0 0
- 3.4404 -1.4535 -0.0106 C 0 0 0
- 2.9446 0.9084 0.0106 C 0 0 0
- 1.1640 -0.6986 -0.0040 N 0 0 0
- 4.7894 -1.1632 -0.0117 C 0 0 0
- 4.2961 1.1852 0.0094 C 0 0 0
- 0.3032 0.2621 0.0064 N 0 0 0
- 5.2168 0.1524 -0.0017 C 0 0 0
- -1.0679 -0.0258 0.0017 N 0 0 0
- 6.6917 0.4621 -0.0030 C 0 0 0
- -2.0455 1.0653 0.0135 C 0 0 0
- -3.4389 0.4913 0.0055 C 0 0 0
- -4.0790 0.2142 1.1987 C 0 0 0
- -4.0791 0.2472 -1.1954 C 0 0 0
- -5.3573 -0.3124 1.1913 C 0 0 0
- -5.3570 -0.2791 -1.2027 C 0 0 0
- -5.9951 -0.5617 -0.0092 C 0 0 0
- 3.1213 -2.4399 0.0000 H 0 0 0
- 2.2557 1.6831 0.0000 H 0 0 0
- 5.4841 -1.9327 0.0000 H 0 0 0
- 4.6226 2.1692 0.0000 H 0 0 0
- -1.3907 -1.0110 0.0000 H 0 0 0
- 6.9047 -0.5525 0.0000 H 0 0 0
- 7.7063 0.6751 0.0000 H 0 0 0
- 6.4787 1.4767 0.0000 H 0 0 0
- -1.2001 1.6654 0.0000 H 0 0 0
- -2.5462 1.9731 0.0000 H 0 0 0
- -3.6756 -0.7408 0.0000 H 0 0 0
- -4.4612 1.2109 0.0000 H 0 0 0
- -4.9711 -1.2745 0.0000 H 0 0 0
- -5.7643 0.6742 0.0000 H 0 0 0
- -6.9521 -0.9604 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 6 8 1 0
- 16 17 1 0
- 2 18 1 0
- 3 19 1 0
- 5 20 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.9015 -0.1429 0.2621 C 0 0 0
- -0.1347 0.7866 0.4835 C 0 0 0
- 2.1674 0.3202 -0.1748 C 0 0 0
- 0.7054 -1.5175 0.4716 C 0 0 0
- -1.3554 0.3630 0.9029 O 0 0 0
- 0.0972 2.1169 0.2738 C 0 0 0
- 2.3655 1.6964 -0.3785 C 0 0 0
- 3.2011 -0.6062 -0.3957 C 0 0 0
- 1.7296 -2.3859 0.2479 C 0 0 0
- -2.2753 -0.0359 0.0037 C 0 0 0
- 1.3425 2.5670 -0.1554 C 0 0 0
- 2.9731 -1.9317 -0.1876 C 0 0 0
- -3.5192 -0.3585 0.4101 N 0 0 0
- -1.9838 -0.1050 -1.1739 O 0 0 0
- -4.5198 -0.7924 -0.5680 C 0 0 0
- -0.2363 -1.8751 0.0000 H 0 0 0
- -0.6743 2.7645 0.0000 H 0 0 0
- 3.3077 2.0525 0.0000 H 0 0 0
- 4.1524 -0.2752 0.0000 H 0 0 0
- 1.5527 -3.3775 0.0000 H 0 0 0
- 1.5220 3.5582 0.0000 H 0 0 0
- 3.7464 -2.5771 0.0000 H 0 0 0
- -3.8470 0.5940 0.0000 H 0 0 0
- -4.9205 0.1317 0.0000 H 0 0 0
- -5.4439 -1.1931 0.0000 H 0 0 0
- -4.1191 -1.7165 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 1 0
- 10 14 2 0
- 13 15 1 0
- 7 11 1 0
- 9 12 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-645-62-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.9151 -0.0703 -0.0727 C 0 0 0
- 0.1776 -0.0878 0.6933 C 0 0 0
- -1.4706 -1.3588 -0.6226 C 0 0 0
- -1.5770 1.1988 -0.3737 C 0 0 0
- 1.4421 -0.7331 0.1877 C 0 0 0
- -2.5586 -1.8862 0.3150 C 0 0 0
- -1.1326 2.2357 0.0730 O 0 0 0
- 2.5633 0.3070 0.1445 C 0 0 0
- 3.8471 -0.3482 -0.3688 C 0 0 0
- 0.4333 0.9394 0.0000 H 0 0 0
- -1.2965 -2.4029 0.0000 H 0 0 0
- -0.4198 -1.4865 0.0000 H 0 0 0
- -2.6348 1.1587 0.0000 H 0 0 0
- 0.8542 -1.6133 0.0000 H 0 0 0
- 2.2477 -1.4198 0.0000 H 0 0 0
- -3.0203 -0.9337 0.0000 H 0 0 0
- -3.5111 -2.3479 0.0000 H 0 0 0
- -2.0969 -2.8387 0.0000 H 0 0 0
- 3.1513 1.1872 0.0000 H 0 0 0
- 1.7577 0.9937 0.0000 H 0 0 0
- 3.3659 -1.2911 0.0000 H 0 0 0
- 4.7900 -0.8294 0.0000 H 0 0 0
- 4.3283 0.5947 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.8926 0.0001 0.0033 C 0 0 0
- -0.1912 -1.2075 0.0023 C 0 0 0
- -0.1914 1.2073 0.0023 C 0 0 0
- -2.3246 0.0001 -0.0005 C 0 0 0
- 1.1880 -1.2002 0.0002 C 0 0 0
- 1.1882 1.2000 0.0002 C 0 0 0
- -3.4606 0.0000 -0.0035 N 0 0 0
- 1.8768 0.0001 -0.0008 C 0 0 0
- 3.3838 0.0001 -0.0030 C 0 0 0
- -0.7066 -2.1084 0.0000 H 0 0 0
- -0.7068 2.1082 0.0000 H 0 0 0
- 1.7105 -2.0970 0.0000 H 0 0 0
- 1.7107 2.0968 0.0000 H 0 0 0
- 3.3838 -1.0378 0.0000 H 0 0 0
- 4.4217 0.0001 0.0000 H 0 0 0
- 3.3838 1.0380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 3 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-687-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.2964 -0.3416 -0.0013 C 0 0 0
- -0.8738 0.3243 -0.0002 O 0 0 0
- 1.4594 0.3394 -0.0004 N 0 0 0
- 0.3039 -1.5567 0.0021 O 0 0 0
- -2.1267 -0.4094 -0.0011 C 0 0 0
- 1.4503 1.8044 0.0016 C 0 0 0
- 2.7326 -0.3852 -0.0015 C 0 0 0
- -3.2957 0.5777 0.0003 C 0 0 0
- -2.9188 -1.1567 0.0000 H 0 0 0
- -1.4737 -1.2809 0.0000 H 0 0 0
- 2.5392 1.8112 0.0000 H 0 0 0
- 1.4435 2.8933 0.0000 H 0 0 0
- 0.3614 1.7976 0.0000 H 0 0 0
- 2.1940 -1.3316 0.0000 H 0 0 0
- 3.6790 -0.9238 0.0000 H 0 0 0
- 3.2712 0.5612 0.0000 H 0 0 0
- -2.5932 1.4097 0.0000 H 0 0 0
- -4.1277 1.2802 0.0000 H 0 0 0
- -3.9982 -0.2543 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-75-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.5984 0.2581 0.0029 C 0 0 0
- 0.1683 -0.9128 0.0013 C 0 0 0
- 0.0391 1.5033 0.0029 C 0 0 0
- -2.0679 0.1797 -0.0016 C 0 0 0
- 1.5463 -0.8306 -0.0002 C 0 0 0
- -0.6113 -2.4639 0.0019 Cl 0 0 0
- 1.4151 1.5693 0.0014 C 0 0 0
- -2.6177 -0.9019 -0.0066 O 0 0 0
- -3.0147 1.6347 0.0004 Cl 0 0 0
- 2.1689 0.4060 -0.0002 C 0 0 0
- 3.9024 0.5001 -0.0016 Cl 0 0 0
- -0.5295 2.3850 0.0000 H 0 0 0
- 2.1230 -1.7071 0.0000 H 0 0 0
- 1.8940 2.5028 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 10 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-253-52-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.0717 0.7104 0.0029 C 0 0 0
- 0.0717 -0.7104 0.0009 C 0 0 0
- 1.2912 1.4007 0.0023 C 0 0 0
- -1.1727 1.3638 -0.0005 C 0 0 0
- -1.1727 -1.3638 0.0011 C 0 0 0
- 1.2912 -1.4007 -0.0017 C 0 0 0
- 2.4580 0.6969 -0.0002 C 0 0 0
- -2.2701 0.6404 -0.0052 N 0 0 0
- -2.2701 -0.6404 0.0031 N 0 0 0
- 2.4580 -0.6969 -0.0022 C 0 0 0
- 1.3057 2.4459 0.0000 H 0 0 0
- -1.2246 2.4079 0.0000 H 0 0 0
- -1.2246 -2.4079 0.0000 H 0 0 0
- 1.3057 -2.4459 0.0000 H 0 0 0
- 3.3683 1.2109 0.0000 H 0 0 0
- 3.3683 -1.2109 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 4 2 0
- 9 5 2 0
- 10 6 2 0
- 8 9 1 0
- 7 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125676-80-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 83 87 1 V2000
- -3.4227 -0.5935 0.3122 C 0 0 2
- -4.8460 -0.4256 0.8687 C 0 0 1
- -2.4810 0.1769 1.0616 O 0 0 0
- -3.3412 -0.2729 -1.1464 C 0 0 0
- -3.1781 -2.1171 0.4959 C 0 0 0
- -5.5125 0.8255 0.3125 C 0 0 1
- -5.5922 -1.6689 0.4366 C 0 0 0
- -1.2183 0.0356 0.4077 C 0 0 1
- -4.2639 0.3185 -1.8399 C 0 0 0
- -4.5543 -2.7475 0.1952 C 0 0 0
- -5.5652 0.7234 -1.2141 C 0 0 0
- -6.9338 0.9386 0.8676 C 0 0 0
- -4.7564 1.9781 0.6890 O 0 0 0
- -6.7877 -1.7810 0.3089 O 0 0 0
- -0.4026 1.3175 0.5910 C 0 0 1
- -0.5133 -1.0700 0.9690 O 0 0 0
- -4.0381 0.5769 -3.3073 C 0 0 0
- -4.6105 -3.2110 -1.2618 C 0 0 0
- -4.8026 -3.9324 1.1308 C 0 0 0
- -6.8712 0.2585 -1.8552 C 0 0 0
- -6.4390 1.7223 -1.9692 C 0 0 0
- 0.9339 1.1684 -0.1447 C 0 0 2
- -1.1368 2.4415 0.0380 O 0 0 0
- 0.6501 -1.2889 0.1734 C 0 0 1
- 1.6186 -0.1155 0.3375 C 0 0 1
- 1.7670 2.2917 0.1490 O 0 0 0
- -0.9809 3.6677 0.5613 C 0 0 0
- 1.3360 -2.5823 0.6179 C 0 0 0
- 2.7910 -0.3526 -0.4444 O 0 0 0
- -1.7429 4.8343 -0.0127 C 0 0 0
- -0.2297 3.8362 1.4925 O 0 0 0
- 0.4927 -3.6962 0.3175 O 0 0 0
- 3.8468 -0.2178 0.3849 C 0 0 0
- 5.1657 -0.2660 -0.1330 C 0 0 0
- 3.6669 -0.0551 1.5770 O 0 0 0
- 6.2228 -0.1311 0.6973 C 0 0 0
- 7.5899 -0.1810 0.1605 C 0 0 0
- 8.6872 -0.0414 1.0189 C 0 0 0
- 7.7997 -0.3739 -1.2099 C 0 0 0
- 9.9655 -0.0889 0.5111 C 0 0 0
- 9.0824 -0.4198 -1.7077 C 0 0 0
- 10.1682 -0.2750 -0.8519 C 0 0 0
- 11.4309 -0.3206 -1.3478 O 0 0 0
- -4.2912 0.3864 0.0000 H 0 0 0
- -2.4264 0.0882 0.0000 H 0 0 0
- -2.8507 -3.0444 0.0000 H 0 0 0
- -2.2251 -1.8745 0.0000 H 0 0 0
- -1.7384 -0.7990 0.0000 H 0 0 0
- -6.8558 1.9189 0.0000 H 0 0 0
- -7.9141 1.0166 0.0000 H 0 0 0
- -7.0118 -0.0417 0.0000 H 0 0 0
- -4.2170 2.8004 0.0000 H 0 0 0
- 0.1128 2.1551 0.0000 H 0 0 0
- -3.2976 -0.0702 0.0000 H 0 0 0
- -3.3910 1.3174 0.0000 H 0 0 0
- -4.7786 1.2240 0.0000 H 0 0 0
- -5.5868 -3.0926 0.0000 H 0 0 0
- -4.7289 -4.1873 0.0000 H 0 0 0
- -3.6342 -3.3294 0.0000 H 0 0 0
- -5.7651 -3.7307 0.0000 H 0 0 0
- -5.0043 -4.8949 0.0000 H 0 0 0
- -3.8401 -4.1341 0.0000 H 0 0 0
- -7.8517 0.3345 0.0000 H 0 0 0
- -6.7415 -0.7163 0.0000 H 0 0 0
- -5.8331 2.4969 0.0000 H 0 0 0
- -7.3134 2.1724 0.0000 H 0 0 0
- 0.3819 0.3545 0.0000 H 0 0 0
- 0.0671 -2.0809 0.0000 H 0 0 0
- 2.2061 0.6732 0.0000 H 0 0 0
- 2.3528 3.0816 0.0000 H 0 0 0
- 2.0260 -3.2830 0.0000 H 0 0 0
- 2.1291 -2.0008 0.0000 H 0 0 0
- -0.9195 5.3721 0.0000 H 0 0 0
- -2.2807 5.6577 0.0000 H 0 0 0
- -2.5663 4.2965 0.0000 H 0 0 0
- -0.1009 -4.4803 0.0000 H 0 0 0
- 5.2101 -1.2484 0.0000 H 0 0 0
- 6.1783 0.8513 0.0000 H 0 0 0
- 8.6433 0.9411 0.0000 H 0 0 0
- 7.4262 -1.2836 0.0000 H 0 0 0
- 10.3393 0.8207 0.0000 H 0 0 0
- 9.1300 -1.4021 0.0000 H 0 0 0
- 12.4137 -0.3561 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 8 3 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 15 22 1 0
- 15 23 1 0
- 16 24 1 0
- 22 25 1 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 25 29 1 0
- 27 30 1 0
- 27 31 2 0
- 28 32 1 0
- 29 33 1 0
- 33 34 1 0
- 33 35 2 0
- 34 36 2 0
- 36 37 1 0
- 37 38 1 0
- 37 39 2 0
- 38 40 2 0
- 39 41 1 0
- 40 42 1 0
- 42 43 1 0
- 7 10 1 0
- 9 11 1 0
- 20 21 1 0
- 24 25 1 0
- 41 42 2 0
- 2 44 1 0
- 4 45 1 0
- 5 46 1 0
- 5 47 1 0
- 8 48 1 0
- 12 49 1 0
- 12 50 1 0
- 12 51 1 0
- 13 52 1 0
- 15 53 1 0
- 17 54 1 0
- 17 55 1 0
- 17 56 1 0
- 18 57 1 0
- 18 58 1 0
- 18 59 1 0
- 19 60 1 0
- 19 61 1 0
- 19 62 1 0
- 20 63 1 0
- 20 64 1 0
- 21 65 1 0
- 21 66 1 0
- 22 67 1 0
- 24 68 1 0
- 25 69 1 0
- 26 70 1 0
- 28 71 1 0
- 28 72 1 0
- 30 73 1 0
- 30 74 1 0
- 30 75 1 0
- 32 76 1 0
- 34 77 1 0
- 36 78 1 0
- 38 79 1 0
- 39 80 1 0
- 40 81 1 0
- 41 82 1 0
- 43 83 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-38-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.1068 -1.6937 0.0033 C 0 0 0
- -1.2226 -2.1688 0.0055 O 0 0 0
- 0.0706 -0.2346 0.0035 C 0 0 0
- 1.3569 0.3184 0.0009 C 0 0 0
- -1.0460 0.6108 0.0005 C 0 0 0
- 2.7500 -0.7175 -0.0033 Cl 0 0 0
- 1.5140 1.6899 0.0012 C 0 0 0
- -2.6467 -0.0611 -0.0041 Cl 0 0 0
- -0.8699 1.9796 0.0008 C 0 0 0
- 0.4053 2.5173 0.0041 C 0 0 0
- 0.7277 -2.3210 0.0000 H 0 0 0
- 2.4724 2.1040 0.0000 H 0 0 0
- -1.7011 2.6113 0.0000 H 0 0 0
- 0.5314 3.5537 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 2 0
- 10 7 2 0
- 9 10 1 0
- 1 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-498-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.2335 -0.3873 -0.0028 C 0 0 0
- -0.0985 -0.7492 -0.0024 C 0 0 0
- 1.5903 0.9612 -0.0009 C 0 0 0
- 2.1983 -1.3457 0.0006 O 0 0 0
- -1.0892 0.2406 -0.0001 C 0 0 0
- 0.6082 1.9438 0.0014 C 0 0 0
- 2.9010 1.3144 -0.0009 O 0 0 0
- 1.5272 -2.6073 0.0042 C 0 0 0
- -0.7228 1.5920 0.0018 C 0 0 0
- -2.5082 -0.1377 -0.0001 C 0 0 0
- -3.5724 0.9293 0.0024 C 0 0 0
- -2.8236 -1.3089 -0.0022 O 0 0 0
- -0.3667 -1.7582 0.0000 H 0 0 0
- 0.8803 2.9518 0.0000 H 0 0 0
- 3.9091 1.5861 0.0000 H 0 0 0
- 0.6054 -2.1170 0.0000 H 0 0 0
- 1.0369 -3.5291 0.0000 H 0 0 0
- 2.4490 -3.0976 0.0000 H 0 0 0
- -1.4587 2.3326 0.0000 H 0 0 0
- -2.8332 1.6666 0.0000 H 0 0 0
- -4.3097 1.6685 0.0000 H 0 0 0
- -4.3116 0.1920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 1 0
- 10 12 2 0
- 6 9 2 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28995-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.0002 0.2043 -0.0018 C 0 0 0
- 0.0003 -1.2132 -0.0012 C 0 0 0
- 1.2245 0.8933 0.0170 C 0 0 0
- -1.2248 0.8932 -0.0153 C 0 0 0
- 1.2248 -1.9018 0.0181 C 0 0 0
- -1.2246 -1.9021 -0.0195 C 0 0 0
- 2.3914 0.1926 0.0355 C 0 0 0
- 1.2454 2.3734 0.0162 N 0 3 0
- -2.3913 0.1924 -0.0276 C 0 0 0
- -1.2460 2.3733 -0.0166 N 0 3 0
- 2.3915 -1.2008 0.0360 C 0 0 0
- -2.3911 -1.2014 -0.0375 C 0 0 0
- 1.7743 2.9745 -0.9016 O 0 0 0
- 0.7336 2.9902 0.9334 O 0 5 0
- -1.7771 2.9756 0.8992 O 0 0 0
- -0.7324 2.9889 -0.9335 O 0 5 0
- 3.6797 -1.9296 0.0568 N 0 3 0
- -3.6792 -1.9304 -0.0572 N 0 3 0
- 4.7290 -1.3115 0.0729 O 0 0 0
- 3.6903 -3.1476 0.0579 O 0 5 0
- -4.7286 -1.3124 -0.0734 O 0 0 0
- -3.6897 -3.1484 -0.0573 O 0 5 0
- 1.2395 -2.9225 0.0000 H 0 0 0
- -1.2392 -2.9228 0.0000 H 0 0 0
- 3.2798 0.6954 0.0000 H 0 0 0
- -3.2798 0.6950 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 17 19 2 0
- 17 20 1 0
- 18 21 2 0
- 18 22 1 0
- 7 11 2 0
- 9 12 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 9 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-333-27-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.7230 -0.4273 0.0948 S 0 0 0
- -1.0248 0.0496 0.0046 C 0 0 0
- 1.4098 0.6038 -0.7895 O 0 0 0
- 1.2734 -0.1591 1.3771 O 0 0 0
- 0.9694 -1.6461 -0.5929 O 0 0 0
- -1.3153 0.5155 -1.2822 F 0 0 0
- -1.8265 -1.0607 0.2906 F 0 0 0
- -1.2807 1.0618 0.9358 F 0 0 0
- 1.2251 1.8744 -0.1623 C 0 0 0
- 2.1463 2.0083 0.0000 H 0 0 0
- 1.0912 2.7956 0.0000 H 0 0 0
- 0.3039 1.7405 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 1 2 0
- 6 2 1 0
- 7 2 1 0
- 8 2 1 0
- 9 3 1 0
- 9 10 1 0
- 9 11 1 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70853-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.7759 -0.0020 0.0021 C 0 0 0
- 0.0479 -1.1202 0.0006 C 0 0 0
- -0.2160 1.2695 0.0022 C 0 0 0
- -2.1642 -0.1554 -0.0024 N 0 0 0
- 1.4204 -0.9649 -0.0007 C 0 0 0
- -0.5550 -2.5013 0.0010 C 0 0 0
- 1.1569 1.4176 0.0009 C 0 0 0
- -3.0026 0.9857 -0.0009 O 0 0 0
- 1.9743 0.3019 -0.0006 C 0 0 0
- 3.4722 0.4675 -0.0015 C 0 0 0
- -0.8312 2.1103 0.0000 H 0 0 0
- -2.5829 -1.1094 0.0000 H 0 0 0
- 2.0389 -1.8033 0.0000 H 0 0 0
- -1.5098 -2.0845 0.0000 H 0 0 0
- -0.9718 -3.4561 0.0000 H 0 0 0
- 0.3998 -2.9181 0.0000 H 0 0 0
- 1.5775 2.3708 0.0000 H 0 0 0
- -3.6195 1.8253 0.0000 H 0 0 0
- 3.5867 -0.5680 0.0000 H 0 0 0
- 4.5077 0.5820 0.0000 H 0 0 0
- 3.3577 1.5030 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.5251 0.5496 -0.4070 C 0 0 0
- -2.8992 0.8141 0.6205 Cl 0 0 0
- -1.2473 1.3574 -1.2681 O 0 0 0
- -0.6922 -0.6540 -0.2289 C 0 0 0
- 0.6944 -0.5306 -0.0024 C 0 0 0
- -1.2707 -1.9208 -0.2776 C 0 0 0
- 1.3209 0.8028 0.0580 C 0 0 0
- 1.4683 -1.6774 0.1645 C 0 0 0
- -0.4854 -3.0460 -0.1096 C 0 0 0
- 3.0469 0.9464 0.1762 Cl 0 0 0
- 0.6303 1.7993 0.0251 O 0 0 0
- 0.8760 -2.9252 0.1075 C 0 0 0
- -2.3073 -2.0148 0.0000 H 0 0 0
- 2.5062 -1.5992 0.0000 H 0 0 0
- -0.9254 -3.9893 0.0000 H 0 0 0
- 1.4706 -3.7795 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 1 0
- 11 7 2 0
- 12 8 2 0
- 9 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 12 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-98-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.5454 0.0211 -0.0014 C 0 0 0
- -0.7857 0.6827 0.0009 C 0 0 0
- 1.8010 0.8545 0.0002 C 0 0 0
- 0.6207 -1.1844 0.0005 O 0 0 0
- -1.7921 0.0147 -0.0003 O 0 0 0
- -0.8487 1.6911 0.0000 H 0 0 0
- 2.3598 0.0127 0.0000 H 0 0 0
- 2.6428 1.4133 0.0000 H 0 0 0
- 1.2422 1.6963 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.0618 -0.4381 -0.0214 C 0 0 0
- -0.1365 0.1540 0.1534 O 0 0 0
- 2.2929 0.3616 0.0432 C 0 0 0
- 1.1243 -1.6343 -0.2273 O 0 0 0
- -1.3530 -0.6362 0.0896 C 0 0 0
- 2.2158 1.8437 0.3047 C 0 0 0
- 3.4760 -0.2230 -0.1293 C 0 0 0
- -2.5632 0.2712 0.3197 C 0 0 0
- -2.6013 1.3541 -0.7605 C 0 0 0
- -3.8450 -0.5614 0.2525 C 0 0 0
- -2.1029 -1.4244 0.0000 H 0 0 0
- -0.6578 -1.4731 0.0000 H 0 0 0
- 3.3023 1.9002 0.0000 H 0 0 0
- 2.1593 2.9302 0.0000 H 0 0 0
- 1.1293 1.7872 0.0000 H 0 0 0
- 3.5463 -1.3087 0.0000 H 0 0 0
- 4.3811 0.3807 0.0000 H 0 0 0
- -1.5988 0.7749 0.0000 H 0 0 0
- -1.5140 1.3924 0.0000 H 0 0 0
- -2.6396 2.4414 0.0000 H 0 0 0
- -3.6886 1.3158 0.0000 H 0 0 0
- -4.4376 0.3510 0.0000 H 0 0 0
- -4.7574 -1.1540 0.0000 H 0 0 0
- -3.2524 -1.4738 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 8 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71432-00-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.2216 0.0782 0.0199 C 0 0 0
- -1.5951 0.4100 0.0400 C 0 0 0
- 0.7515 1.0825 -0.0163 C 0 0 0
- 0.1555 -1.3380 0.0126 C 0 0 0
- -2.5602 -0.6032 0.1663 C 0 0 0
- -1.9717 1.7670 -0.0615 C 0 0 0
- 2.1577 0.6756 0.0032 C 0 0 0
- 0.3484 2.4294 -0.0806 C 0 0 0
- 1.4811 -1.6929 0.0345 C 0 0 0
- -0.9524 -2.3140 -0.0430 C 0 0 0
- -2.1767 -1.8904 0.3652 O 0 0 0
- -3.8943 -0.2517 0.1081 C 0 0 0
- -0.9690 2.7599 -0.1088 C 0 0 0
- -3.3374 2.0797 -0.1153 C 0 0 0
- 2.4861 -0.7023 0.0385 C 0 0 0
- 3.1809 1.6291 -0.0110 C 0 0 0
- -0.7755 -3.4499 -0.4384 O 0 0 0
- -4.2646 1.0802 -0.0364 C 0 0 0
- 3.8417 -1.0788 0.0720 C 0 0 0
- 4.4843 1.2277 0.0161 C 0 0 0
- 4.8121 -0.1240 0.0592 C 0 0 0
- 1.0732 3.1876 0.0000 H 0 0 0
- 1.7490 -2.7071 0.0000 H 0 0 0
- -4.6310 -0.9984 0.0000 H 0 0 0
- -1.2461 3.7716 0.0000 H 0 0 0
- -3.6463 3.0821 0.0000 H 0 0 0
- 2.9462 2.6515 0.0000 H 0 0 0
- -5.2839 1.3279 0.0000 H 0 0 0
- 4.1045 -2.0943 0.0000 H 0 0 0
- 5.2482 1.9465 0.0000 H 0 0 0
- 5.8208 -0.4117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 10 17 2 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 1 0
- 10 11 1 0
- 14 18 2 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1948-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 1.7065 0.7352 -0.0004 C 0 0 0
- 0.3220 0.1401 -0.0020 C 0 0 0
- 1.6054 2.2619 -0.0047 C 0 0 0
- 2.4570 0.2773 1.2517 C 0 0 0
- 2.4627 0.2707 -1.2467 C 0 0 0
- 0.1592 -1.2371 -0.0002 C 0 0 0
- -0.7851 0.9665 0.0004 C 0 0 0
- -1.1153 -1.7849 -0.0007 C 0 0 0
- 1.2489 -2.0505 0.0026 O 0 0 0
- -2.0592 0.4189 -0.0005 C 0 0 0
- -2.2220 -0.9587 -0.0035 C 0 0 0
- -3.1489 1.2323 0.0023 O 0 0 0
- 2.6412 2.3305 0.0000 H 0 0 0
- 1.5368 3.2977 0.0000 H 0 0 0
- 0.5696 2.1933 0.0000 H 0 0 0
- 1.9163 -0.6089 0.0000 H 0 0 0
- 3.3432 -0.2634 0.0000 H 0 0 0
- 2.9977 1.1635 0.0000 H 0 0 0
- 1.9193 -0.6139 0.0000 H 0 0 0
- 3.3473 -0.2727 0.0000 H 0 0 0
- 3.0060 1.1553 0.0000 H 0 0 0
- -0.6632 1.9974 0.0000 H 0 0 0
- -1.2372 -2.8158 0.0000 H 0 0 0
- 2.0808 -2.6715 0.0000 H 0 0 0
- -3.1758 -1.3686 0.0000 H 0 0 0
- -3.9808 1.8533 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 2 0
- 10 12 1 0
- 10 11 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-44-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.1158 0.0017 -0.4904 C 0 0 0
- 0.7660 -1.1962 -0.2612 C 0 0 0
- 0.7686 1.1981 -0.2579 C 0 0 0
- -1.3025 0.0038 -0.9997 C 0 0 0
- 2.0691 -1.1982 0.2006 C 0 0 0
- 2.0713 1.1961 0.2037 C 0 0 0
- -2.4426 -0.0011 0.3970 Cl 0 0 0
- 2.7217 -0.0022 0.4330 C 0 0 0
- 0.2427 -2.0741 0.0000 H 0 0 0
- 0.2476 2.0774 0.0000 H 0 0 0
- -0.7919 0.8891 0.0000 H 0 0 0
- -1.8156 0.8877 0.0000 H 0 0 0
- 2.5901 -2.0775 0.0000 H 0 0 0
- 2.5946 2.0740 0.0000 H 0 0 0
- 3.7437 -0.0033 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92180-79-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.8597 -0.3377 -0.0016 C 0 0 0
- -0.5926 -0.1797 -0.0008 C 0 0 0
- 1.6598 0.8079 -0.0012 C 0 0 0
- 1.6852 -1.4091 0.0027 N 0 0 0
- -1.1349 1.1297 0.0003 C 0 0 0
- -1.4070 -1.2339 -0.0015 N 0 0 0
- 1.0769 2.0776 -0.0001 C 0 0 0
- 2.9698 0.3606 -0.0017 N 0 0 0
- 2.9321 -1.0024 -0.0001 C 0 0 0
- -0.2702 2.2407 0.0011 C 0 0 0
- -2.4623 1.2900 0.0011 N 0 0 0
- -2.7100 -1.0514 -0.0012 C 0 0 0
- 4.1730 1.1964 -0.0015 C 0 0 0
- 4.0374 -1.8281 0.0029 N 0 0 0
- -3.2467 0.2350 0.0008 C 0 0 0
- -3.6308 -2.2444 -0.0020 C 0 0 0
- -4.7425 0.4185 0.0021 C 0 0 0
- 1.6889 2.9162 0.0000 H 0 0 0
- -0.6692 3.1992 0.0000 H 0 0 0
- 4.7653 0.3437 0.0000 H 0 0 0
- 5.0257 1.7887 0.0000 H 0 0 0
- 3.5807 2.0491 0.0000 H 0 0 0
- 3.9152 -2.8591 0.0000 H 0 0 0
- 4.9914 -1.4185 0.0000 H 0 0 0
- -4.4527 -1.6101 0.0000 H 0 0 0
- -4.2651 -3.0663 0.0000 H 0 0 0
- -2.8089 -2.8787 0.0000 H 0 0 0
- -4.6161 1.4490 0.0000 H 0 0 0
- -5.7730 0.5449 0.0000 H 0 0 0
- -4.8689 -0.6120 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 7 10 2 0
- 8 9 1 0
- 12 15 1 0
- 7 18 1 0
- 10 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3626-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 81 1 V2000
- -5.2793 0.5925 -0.0002 C 0 0 0
- -5.7894 0.2289 1.2710 C 0 0 0
- -3.9327 0.3164 -0.3138 C 0 0 0
- -6.1213 1.2291 -0.9300 C 0 0 0
- -4.9472 -0.4026 2.2055 C 0 0 0
- -7.1330 0.5033 1.5868 C 0 0 0
- -3.1241 -0.3132 0.6393 C 0 0 0
- -3.4168 0.6634 -1.5498 N 0 0 0
- -7.4484 1.4921 -0.5824 C 0 0 0
- -5.6498 1.5840 -2.1498 O 0 0 0
- -3.6522 -0.6643 1.8955 C 0 0 0
- -7.9390 1.1130 0.6807 C 0 0 0
- -1.8232 -0.5862 0.3506 N 0 0 0
- -8.2737 2.1078 -1.4736 N 0 0 0
- -2.6176 -1.4552 3.0823 S 0 0 0
- -9.6183 1.4466 1.0969 S 0 0 0
- -1.3359 -1.7520 0.6104 N 0 0 0
- -8.9950 3.1096 -1.0991 N 0 0 0
- -2.7562 -2.8497 2.8470 O 0 0 0
- -1.3920 -0.7362 3.0663 O 0 0 0
- -3.2259 -1.2050 4.4549 O 0 0 0
- -9.6208 2.7404 1.6844 O 0 0 0
- -10.3817 1.0564 -0.0364 O 0 0 0
- -10.0106 0.4860 2.2104 O 0 0 0
- -0.0303 -2.0261 0.3206 C 0 0 0
- -9.8234 3.7278 -1.9938 C 0 0 0
- 0.4990 -3.2902 0.6020 C 0 0 0
- 0.7783 -1.0449 -0.2633 C 0 0 0
- -10.6062 4.8132 -1.5917 C 0 0 0
- -9.8873 3.2808 -3.3165 C 0 0 0
- 1.8049 -3.5657 0.3127 C 0 0 0
- 2.0940 -1.3254 -0.5538 C 0 0 0
- -11.4398 5.4319 -2.5000 C 0 0 0
- -10.7253 3.9092 -4.2133 C 0 0 0
- 2.6169 -2.5875 -0.2648 C 0 0 0
- -11.5020 4.9802 -3.8063 C 0 0 0
- 4.0326 -2.8907 -0.5764 C 0 0 0
- 4.6040 -2.4150 -1.7583 C 0 0 0
- 4.7964 -3.6471 0.3149 C 0 0 0
- 5.9198 -2.6975 -2.0466 C 0 0 0
- 6.1022 -3.9290 0.0315 C 0 0 0
- 6.6798 -3.4606 -1.1535 C 0 0 0
- 7.9853 -3.7431 -1.4356 N 0 0 0
- 8.6855 -4.4467 -0.6117 N 0 0 0
- 9.9906 -4.7292 -0.8937 C 0 0 0
- 10.7520 -5.4921 -0.0017 C 0 0 0
- 10.5696 -4.2617 -2.0780 C 0 0 0
- 12.0682 -5.7748 -0.2909 C 0 0 0
- 11.8869 -4.5498 -2.3583 C 0 0 0
- 12.6406 -5.3035 -1.4667 C 0 0 0
- 13.9390 -5.5849 -1.7474 O 0 0 0
- 20.6149 8.6932 1.4122 Na 0 3 0
- 27.1019 14.3989 0.8091 Na 0 3 0
- -5.3304 -1.2574 0.0000 H 0 0 0
- -7.5188 -0.3503 0.0000 H 0 0 0
- -2.5754 0.2517 0.0000 H 0 0 0
- -3.4809 1.5980 0.0000 H 0 0 0
- -4.9014 2.1473 0.0000 H 0 0 0
- -0.0981 -4.0120 0.0000 H 0 0 0
- 0.4697 -0.1605 0.0000 H 0 0 0
- -9.9393 5.4710 0.0000 H 0 0 0
- -9.5288 2.4154 0.0000 H 0 0 0
- 2.1129 -4.4504 0.0000 H 0 0 0
- 2.6932 -0.6053 0.0000 H 0 0 0
- -11.8026 6.2955 0.0000 H 0 0 0
- -11.3930 3.2521 0.0000 H 0 0 0
- -12.4107 4.7527 0.0000 H 0 0 0
- 4.3801 -1.5054 0.0000 H 0 0 0
- 4.3501 -4.4707 0.0000 H 0 0 0
- 6.3685 -1.8752 0.0000 H 0 0 0
- 6.3197 -4.8401 0.0000 H 0 0 0
- 10.3037 -6.3146 0.0000 H 0 0 0
- 10.3542 -3.3500 0.0000 H 0 0 0
- 12.2896 -6.6850 0.0000 H 0 0 0
- 12.3363 -3.7279 0.0000 H 0 0 0
- 14.8545 -5.7833 0.0000 H 0 0 0
- -4.0922 -0.8487 0.0000 H 0 0 0
- -10.3648 -0.3812 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 2 0
- 15 20 2 0
- 15 21 1 0
- 16 22 2 0
- 16 23 2 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 25 27 1 0
- 25 28 2 0
- 26 29 2 0
- 26 30 1 0
- 27 31 2 0
- 28 32 1 0
- 29 33 1 0
- 30 34 2 0
- 31 35 1 0
- 33 36 2 0
- 35 37 1 0
- 37 38 2 0
- 37 39 1 0
- 38 40 1 0
- 39 41 2 0
- 40 42 2 0
- 42 43 1 0
- 43 44 2 0
- 44 45 1 0
- 45 46 1 0
- 45 47 2 0
- 46 48 2 0
- 47 49 1 0
- 48 50 1 0
- 50 51 1 0
- 7 11 1 0
- 9 12 1 0
- 32 35 2 0
- 34 36 1 0
- 41 42 1 0
- 49 50 2 0
- 5 54 1 0
- 6 55 1 0
- 8 56 1 0
- 8 57 1 0
- 10 58 1 0
- 27 59 1 0
- 28 60 1 0
- 29 61 1 0
- 30 62 1 0
- 31 63 1 0
- 32 64 1 0
- 33 65 1 0
- 34 66 1 0
- 36 67 1 0
- 38 68 1 0
- 39 69 1 0
- 40 70 1 0
- 41 71 1 0
- 46 72 1 0
- 47 73 1 0
- 48 74 1 0
- 49 75 1 0
- 51 76 1 0
- 21 77 1 0
- 24 78 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3385-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.2751 0.9775 -0.7209 C 0 0 0
- -1.2102 0.7081 -0.4720 C 0 0 0
- 1.1129 0.1802 0.2808 C 0 0 0
- -1.4936 -0.7854 -0.6449 C 0 0 0
- -1.5599 1.1178 0.8947 N 0 0 0
- 0.8295 -1.3134 0.1078 C 0 0 0
- 2.5391 0.4388 0.0418 N 0 0 0
- -0.6559 -1.5828 0.3568 C 0 0 0
- 1.1910 1.6040 0.0000 H 0 0 0
- -0.1464 2.0039 0.0000 H 0 0 0
- -2.2827 0.4234 0.0000 H 0 0 0
- 1.4309 1.2433 0.0000 H 0 0 0
- -2.5246 -0.3753 0.0000 H 0 0 0
- -2.0921 -1.7198 0.0000 H 0 0 0
- -1.1892 2.1637 0.0000 H 0 0 0
- -2.6510 0.9159 0.0000 H 0 0 0
- 0.8928 -2.4212 0.0000 H 0 0 0
- 1.9368 -1.3857 0.0000 H 0 0 0
- 3.2565 -0.4078 0.0000 H 0 0 0
- 2.9136 1.4833 0.0000 H 0 0 0
- -1.5718 -2.2092 0.0000 H 0 0 0
- -0.2344 -2.6093 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 1 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51483-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0000 0.3290 0.0331 C 0 0 0
- -1.2492 0.9111 0.6976 C 0 0 0
- 1.2492 0.9111 0.6976 C 0 0 0
- 0.0000 -1.4642 0.2203 Cl 0 0 0
- -2.8545 0.1631 -0.1562 Br 0 0 0
- 2.8545 0.1631 -0.1562 Br 0 0 0
- 0.0000 1.6573 0.0000 H 0 0 0
- -0.4255 1.9531 0.0000 H 0 0 0
- -2.0729 1.9531 0.0000 H 0 0 0
- 2.0729 1.9531 0.0000 H 0 0 0
- 0.4255 1.9531 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-25-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.0985 0.3573 -0.0006 C 0 0 0
- -0.2840 0.8681 0.0000 C 0 0 0
- 2.1754 1.2496 0.0001 C 0 0 0
- 1.3364 -1.0209 0.0041 C 0 0 0
- -1.3205 0.0070 -0.0006 O 0 0 0
- -0.4891 2.0659 0.0011 O 0 0 0
- 3.4642 0.7664 -0.0006 C 0 0 0
- 2.6177 -1.4937 0.0035 C 0 0 0
- -2.6825 0.5102 0.0000 C 0 0 0
- 3.6915 -0.6073 -0.0018 C 0 0 0
- -3.6608 -0.6661 -0.0008 C 0 0 0
- 4.9933 -1.0949 -0.0029 N 0 0 0
- -5.0960 -0.1358 -0.0002 C 0 0 0
- -6.0743 -1.3121 -0.0011 C 0 0 0
- 2.0018 2.2817 0.0000 H 0 0 0
- 0.5320 -1.6904 0.0000 H 0 0 0
- 4.2727 1.4310 0.0000 H 0 0 0
- 2.7930 -2.5255 0.0000 H 0 0 0
- -2.2111 1.4446 0.0000 H 0 0 0
- -3.5577 1.0842 0.0000 H 0 0 0
- -4.1322 -1.6005 0.0000 H 0 0 0
- -2.7856 -1.2401 0.0000 H 0 0 0
- 5.1654 -2.1272 0.0000 H 0 0 0
- 5.8013 -0.4297 0.0000 H 0 0 0
- -4.6246 0.7986 0.0000 H 0 0 0
- -5.9712 0.4382 0.0000 H 0 0 0
- -6.8790 -0.6429 0.0000 H 0 0 0
- -6.7435 -2.1168 0.0000 H 0 0 0
- -5.2696 -1.9813 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 8 10 1 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99217-04-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.6732 0.0823 0.1454 C 0 0 0
- -1.9028 0.5084 0.0501 C 0 0 0
- 0.4284 1.0371 0.3703 C 0 0 0
- -0.3672 -1.3555 0.0364 C 0 0 0
- -2.2011 1.9483 0.1664 C 0 0 0
- -3.0095 -0.4390 -0.1741 C 0 0 0
- 1.7941 0.4930 0.4695 C 0 0 0
- 0.1683 2.3185 0.4743 C 0 0 0
- 0.8801 -1.7510 0.1374 C 0 0 0
- -1.4683 -2.3082 -0.1831 C 0 0 0
- -1.2248 2.8013 0.3663 C 0 0 0
- -3.6094 2.3655 0.0505 C 0 0 0
- -2.7105 -1.8762 -0.2907 C 0 0 0
- -4.2349 0.0222 -0.2648 C 0 0 0
- 1.9813 -0.8046 0.3559 C 0 0 0
- 2.8525 1.3250 0.6763 O 0 0 0
- 1.1602 -3.0730 0.0371 N 0 3 0
- -4.5377 1.4545 -0.1496 C 0 0 0
- 3.4453 1.9286 -0.3658 C 0 0 0
- 1.7457 -3.6418 0.9411 O 0 0 0
- 0.8265 -3.6925 -0.9571 O 0 5 0
- 4.6829 2.7611 -0.1502 C 0 0 0
- 2.9867 1.8045 -1.4767 O 0 0 0
- 0.9297 2.9846 0.0000 H 0 0 0
- -1.2780 -3.3017 0.0000 H 0 0 0
- -1.4181 3.7943 0.0000 H 0 0 0
- -3.8538 3.3471 0.0000 H 0 0 0
- -3.4706 -2.5437 0.0000 H 0 0 0
- -5.0023 -0.6369 0.0000 H 0 0 0
- 2.9285 -1.1598 0.0000 H 0 0 0
- -5.5061 1.7469 0.0000 H 0 0 0
- 5.2475 1.9217 0.0000 H 0 0 0
- 5.5223 3.3257 0.0000 H 0 0 0
- 4.1183 3.6005 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 16 19 1 0
- 17 20 2 0
- 17 21 1 0
- 19 22 1 0
- 19 23 2 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 18 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96287-03-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.3552 -0.7936 -0.0007 C 0 0 0
- -1.0263 -0.7810 -0.0005 N 0 0 0
- 0.7589 0.5555 0.0001 C 0 0 0
- 1.2559 -1.7635 0.0033 N 0 0 0
- -1.4234 0.5329 0.0004 C 0 0 0
- -1.9524 -1.7840 -0.0014 C 0 0 0
- -0.3528 1.3136 0.0008 N 0 0 0
- 2.1284 0.8544 -0.0003 C 0 0 0
- 2.5469 -1.5093 0.0020 C 0 0 0
- -2.8015 0.8408 0.0004 C 0 0 0
- -3.2722 -1.5031 -0.0015 C 0 0 0
- 3.0273 -0.2008 -0.0015 C 0 0 0
- 2.6099 2.2824 0.0001 C 0 0 0
- -3.7118 -0.1688 -0.0005 C 0 0 0
- -3.2592 2.2767 0.0009 C 0 0 0
- 4.4043 0.0453 -0.0020 N 0 0 0
- -1.6380 -2.7731 0.0000 H 0 0 0
- 3.2208 -2.2986 0.0000 H 0 0 0
- -3.9652 -2.2757 0.0000 H 0 0 0
- 3.5934 1.9508 0.0000 H 0 0 0
- 2.9415 3.2659 0.0000 H 0 0 0
- 1.6264 2.6140 0.0000 H 0 0 0
- -4.7274 0.0453 0.0000 H 0 0 0
- -2.2703 2.5919 0.0000 H 0 0 0
- -3.5744 3.2656 0.0000 H 0 0 0
- -4.2481 1.9615 0.0000 H 0 0 0
- 5.0733 -0.7482 0.0000 H 0 0 0
- 4.7570 1.0214 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 5 7 2 0
- 9 12 1 0
- 11 14 1 0
- 6 17 1 0
- 9 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-482-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6884 -0.0071 -0.0023 C 0 0 0
- -0.6884 0.0071 -0.0022 C 0 0 0
- 1.5768 1.1752 -0.0023 C 0 0 0
- 1.4942 -1.1271 0.0038 N 0 0 0
- -1.5768 -1.1752 -0.0022 C 0 0 0
- -1.4942 1.1271 0.0037 N 0 0 0
- 2.9469 0.6300 -0.0023 C 0 0 0
- 1.2478 2.3467 -0.0023 O 0 0 0
- 2.8331 -0.7689 0.0018 C 0 0 0
- -2.9469 -0.6300 -0.0022 C 0 0 0
- -1.2478 -2.3467 -0.0025 O 0 0 0
- -2.8331 0.7689 0.0017 C 0 0 0
- 4.2061 1.2322 -0.0023 C 0 0 0
- 3.9913 -1.5415 0.0059 C 0 0 0
- -4.2061 -1.2322 -0.0022 C 0 0 0
- -3.9913 1.5415 0.0058 C 0 0 0
- 5.3395 0.4479 -0.0022 C 0 0 0
- 5.2298 -0.9341 0.0024 C 0 0 0
- -5.3394 -0.4479 -0.0022 C 0 0 0
- -5.2298 0.9341 0.0024 C 0 0 0
- 1.1447 -2.1063 0.0000 H 0 0 0
- -1.1447 2.1063 0.0000 H 0 0 0
- 4.2888 2.2687 0.0000 H 0 0 0
- 3.9226 -2.5790 0.0000 H 0 0 0
- -4.2888 -2.2687 0.0000 H 0 0 0
- -3.9226 2.5790 0.0000 H 0 0 0
- 6.2788 0.8937 0.0000 H 0 0 0
- 6.0897 -1.5186 0.0000 H 0 0 0
- -6.2787 -0.8937 0.0000 H 0 0 0
- -6.0897 1.5186 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 9 2 0
- 10 12 2 0
- 17 18 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3319-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 93 93 1 V2000
- -0.4081 0.6590 -0.7246 C 0 0 0
- -0.6184 -0.7236 -0.5650 C 0 0 0
- 0.8728 1.1830 -0.5835 C 0 0 0
- -1.5430 1.5499 -1.0469 C 0 0 0
- 0.4548 -1.5589 -0.2672 C 0 0 0
- -1.9787 -1.2886 -0.7131 C 0 0 0
- 1.9401 0.3365 -0.2851 C 0 0 0
- -1.8948 2.5290 -0.1912 O 0 0 0
- -2.1582 1.3991 -2.0831 O 0 0 0
- 1.7244 -1.0339 -0.1281 C 0 0 0
- -2.1953 -2.5955 -0.4701 O 0 0 0
- -2.8992 -0.5737 -1.0537 O 0 0 0
- 3.3032 0.8914 -0.1351 C 0 0 0
- -3.0094 3.4040 -0.5077 C 0 0 0
- -3.5295 -3.1496 -0.6153 C 0 0 0
- 4.3348 0.0748 0.1531 O 0 0 0
- 3.4920 2.0833 -0.2718 O 0 0 0
- -3.1966 4.4201 0.6207 C 0 0 0
- -3.5006 -4.6427 -0.2824 C 0 0 0
- 5.6727 0.6195 0.3004 C 0 0 0
- -4.3711 5.3421 0.2872 C 0 0 0
- -3.4837 3.6815 1.9295 C 0 0 0
- -4.9065 -5.2266 -0.4355 C 0 0 0
- -2.5439 -5.3597 -1.2372 C 0 0 0
- 6.6510 -0.5115 0.6241 C 0 0 0
- -3.8649 6.7778 0.1340 C 0 0 0
- -2.4441 4.0803 2.9788 C 0 0 0
- -5.3997 -5.7313 0.9220 C 0 0 0
- -1.5079 -6.1427 -0.4282 C 0 0 0
- 8.0607 0.0625 0.7792 C 0 0 0
- 6.2308 -1.1915 1.9286 C 0 0 0
- -5.0530 7.7171 -0.0830 C 0 0 0
- -6.7547 -6.4203 0.7483 C 0 0 0
- 8.9693 -0.5159 -0.3075 C 0 0 0
- 6.0721 -2.6947 1.6921 C 0 0 0
- -4.5468 9.1527 -0.2361 C 0 0 0
- -7.2479 -6.9250 2.1059 C 0 0 0
- 10.4040 -0.0344 -0.0823 C 0 0 0
- 11.3125 -0.6128 -1.1690 C 0 0 0
- 1.0188 2.2106 0.0000 H 0 0 0
- 0.3155 -2.5875 0.0000 H 0 0 0
- 2.5396 -1.6763 0.0000 H 0 0 0
- -4.0421 3.5080 0.0000 H 0 0 0
- -3.3973 2.4412 0.0000 H 0 0 0
- -3.8052 -2.1489 0.0000 H 0 0 0
- -4.5567 -3.2987 0.0000 H 0 0 0
- -2.3083 4.9571 0.0000 H 0 0 0
- -2.5768 -4.1694 0.0000 H 0 0 0
- 6.5268 1.2093 0.0000 H 0 0 0
- 5.1792 1.5326 0.0000 H 0 0 0
- -5.3067 5.7915 0.0000 H 0 0 0
- -4.9195 4.4609 0.0000 H 0 0 0
- -4.5135 3.8110 0.0000 H 0 0 0
- -3.3588 2.6511 0.0000 H 0 0 0
- -4.9111 -4.1887 0.0000 H 0 0 0
- -5.8686 -4.8371 0.0000 H 0 0 0
- -1.5884 -4.9542 0.0000 H 0 0 0
- -2.4187 -4.3293 0.0000 H 0 0 0
- 7.3212 -1.3040 0.0000 H 0 0 0
- -2.9298 6.3273 0.0000 H 0 0 0
- -3.3145 7.6578 0.0000 H 0 0 0
- -2.0723 3.1112 0.0000 H 0 0 0
- -1.4750 4.4521 0.0000 H 0 0 0
- -2.8159 5.0494 0.0000 H 0 0 0
- -5.3420 -6.7676 0.0000 H 0 0 0
- -4.4280 -6.0961 0.0000 H 0 0 0
- -2.1337 -6.9708 0.0000 H 0 0 0
- -0.6798 -6.7685 0.0000 H 0 0 0
- -0.8821 -5.3146 0.0000 H 0 0 0
- 8.7852 0.8058 0.0000 H 0 0 0
- 7.4811 0.9236 0.0000 H 0 0 0
- 5.6083 -0.3609 0.0000 H 0 0 0
- 5.2302 -1.4673 0.0000 H 0 0 0
- -5.9881 8.1676 0.0000 H 0 0 0
- -5.6035 6.8371 0.0000 H 0 0 0
- -6.8124 -5.3840 0.0000 H 0 0 0
- -7.7264 -6.0555 0.0000 H 0 0 0
- 8.2294 -1.2438 0.0000 H 0 0 0
- 9.5123 -1.4005 0.0000 H 0 0 0
- 5.0399 -2.5857 0.0000 H 0 0 0
- 5.9631 -3.7269 0.0000 H 0 0 0
- 7.1043 -2.8037 0.0000 H 0 0 0
- -3.5679 8.8075 0.0000 H 0 0 0
- -4.2016 10.1316 0.0000 H 0 0 0
- -5.5257 9.4979 0.0000 H 0 0 0
- -7.9903 -6.1996 0.0000 H 0 0 0
- -7.9733 -7.6674 0.0000 H 0 0 0
- -6.5055 -7.6504 0.0000 H 0 0 0
- 11.1440 0.6935 0.0000 H 0 0 0
- 9.8610 0.8502 0.0000 H 0 0 0
- 10.7551 -1.4884 0.0000 H 0 0 0
- 12.1881 -1.1702 0.0000 H 0 0 0
- 11.8699 0.2628 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 1 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 18 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 21 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 1 0
- 25 30 1 0
- 25 31 1 0
- 26 32 1 0
- 28 33 1 0
- 30 34 1 0
- 31 35 1 0
- 32 36 1 0
- 33 37 1 0
- 34 38 1 0
- 38 39 1 0
- 7 10 1 0
- 3 40 1 0
- 5 41 1 0
- 10 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 18 47 1 0
- 19 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
- 22 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 25 59 1 0
- 26 60 1 0
- 26 61 1 0
- 27 62 1 0
- 27 63 1 0
- 27 64 1 0
- 28 65 1 0
- 28 66 1 0
- 29 67 1 0
- 29 68 1 0
- 29 69 1 0
- 30 70 1 0
- 30 71 1 0
- 31 72 1 0
- 31 73 1 0
- 32 74 1 0
- 32 75 1 0
- 33 76 1 0
- 33 77 1 0
- 34 78 1 0
- 34 79 1 0
- 35 80 1 0
- 35 81 1 0
- 35 82 1 0
- 36 83 1 0
- 36 84 1 0
- 36 85 1 0
- 37 86 1 0
- 37 87 1 0
- 37 88 1 0
- 38 89 1 0
- 38 90 1 0
- 39 91 1 0
- 39 92 1 0
- 39 93 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 2.1637 0.0002 0.3060 C 0 0 0
- 2.8850 -1.2493 -0.2033 C 0 0 0
- 2.8850 1.2491 -0.2046 C 0 0 0
- 0.7212 -0.0001 -0.2040 C 0 0 0
- 0.0000 -1.2491 0.3066 C 0 0 0
- 0.0000 1.2494 0.3054 C 0 0 0
- -1.4425 -1.2493 -0.2034 C 0 0 0
- -1.4425 1.2491 -0.2046 C 0 0 0
- -2.1637 0.0001 0.3060 C 0 0 0
- -3.6062 -0.0001 -0.2041 C 0 0 0
- 1.6227 0.9371 0.0000 H 0 0 0
- 1.9480 -1.7902 0.0000 H 0 0 0
- 3.4259 -2.1863 0.0000 H 0 0 0
- 3.8220 -0.7084 0.0000 H 0 0 0
- 3.8219 0.7080 0.0000 H 0 0 0
- 3.4261 2.1860 0.0000 H 0 0 0
- 1.9481 1.7902 0.0000 H 0 0 0
- 1.2622 -0.9370 0.0000 H 0 0 0
- -0.1878 -2.3146 0.0000 H 0 0 0
- 1.0166 -1.6191 0.0000 H 0 0 0
- 1.0166 1.6194 0.0000 H 0 0 0
- -0.1880 2.3148 0.0000 H 0 0 0
- -2.4591 -1.6193 0.0000 H 0 0 0
- -1.2546 -2.3147 0.0000 H 0 0 0
- -1.2548 2.3146 0.0000 H 0 0 0
- -2.4591 1.6191 0.0000 H 0 0 0
- -2.7047 0.9370 0.0000 H 0 0 0
- -3.6063 1.0818 0.0000 H 0 0 0
- -4.6881 -0.0003 0.0000 H 0 0 0
- -3.6061 -1.0820 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 9 1 0
- 8 9 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2564-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.5683 0.0381 0.1386 C 0 0 0
- 0.0574 -1.2852 0.1598 C 0 0 0
- 0.2100 1.1834 0.1529 C 0 0 0
- -2.0358 0.1228 0.1082 C 0 0 0
- 1.4422 -1.4021 0.1950 C 0 0 0
- -0.7906 -2.4761 0.1439 C 0 0 0
- 1.6034 1.0720 0.1877 C 0 0 0
- -0.4412 2.5422 0.1304 C 0 0 0
- -2.7949 -1.0660 0.1003 C 0 0 0
- -2.6830 1.3593 0.0877 C 0 0 0
- 2.2327 -0.2503 0.2101 C 0 0 0
- 2.0872 -2.7639 0.2173 C 0 0 0
- -2.1321 -2.3663 0.1103 C 0 0 0
- 2.4264 2.2157 0.2032 C 0 0 0
- -0.3345 3.0999 -1.1810 O 0 0 0
- -4.1942 -0.9832 0.0713 C 0 0 0
- -4.0584 1.4078 0.0598 C 0 0 0
- 3.6398 -0.3308 0.2453 C 0 0 0
- 2.3248 -3.2004 -1.1225 O 0 0 0
- 3.7769 2.0692 0.2373 C 0 0 0
- -4.8052 0.2366 0.0512 C 0 0 0
- 4.3762 0.8109 0.2586 C 0 0 0
- -0.3489 -3.4262 0.0000 H 0 0 0
- -1.3603 3.0451 0.0000 H 0 0 0
- -1.2017 1.8215 0.0000 H 0 0 0
- -2.1248 2.2459 0.0000 H 0 0 0
- 1.0415 -2.6984 0.0000 H 0 0 0
- 1.5241 -3.6474 0.0000 H 0 0 0
- -2.7155 -3.2366 0.0000 H 0 0 0
- 1.9997 3.1726 0.0000 H 0 0 0
- -0.1376 4.1290 0.0000 H 0 0 0
- -4.7708 -1.8580 0.0000 H 0 0 0
- -4.5459 2.3352 0.0000 H 0 0 0
- 4.1147 -1.2647 0.0000 H 0 0 0
- 2.8257 -4.1206 0.0000 H 0 0 0
- 4.3833 2.9236 0.0000 H 0 0 0
- -5.8515 0.2907 0.0000 H 0 0 0
- 5.4218 0.7437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 2 0
- 7 11 2 0
- 9 13 1 0
- 17 21 1 0
- 20 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4106-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.3342 -0.5672 -0.0008 C 0 0 0
- -1.1405 -0.5163 -0.0004 C 0 0 0
- 0.7598 0.7693 0.0001 C 0 0 0
- 1.2644 -1.6016 0.0031 C 0 0 0
- -1.4735 0.8453 0.0007 C 0 0 0
- -2.1409 -1.4825 -0.0013 C 0 0 0
- -0.3310 1.5671 0.0010 O 0 0 0
- 2.1197 1.0484 -0.0001 C 0 0 0
- 2.6116 -1.3122 0.0013 C 0 0 0
- -2.8130 1.2152 0.0007 C 0 0 0
- -3.4649 -1.0963 -0.0010 C 0 0 0
- 3.0404 0.0123 -0.0011 C 0 0 0
- -3.7971 0.2491 -0.0005 C 0 0 0
- 4.4070 0.2989 -0.0017 N 0 0 0
- 0.9433 -2.5926 0.0000 H 0 0 0
- -1.8912 -2.4938 0.0000 H 0 0 0
- 2.4483 2.0369 0.0000 H 0 0 0
- 3.3099 -2.0852 0.0000 H 0 0 0
- -3.0741 2.2236 0.0000 H 0 0 0
- -4.2167 -1.8174 0.0000 H 0 0 0
- -4.7993 0.5333 0.0000 H 0 0 0
- 5.1019 -0.4771 0.0000 H 0 0 0
- 4.7316 1.2887 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6111-78-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.4650 0.0647 -0.0025 C 0 0 0
- -1.8742 -0.3544 -0.0019 C 0 0 0
- -0.1592 1.4964 0.0003 C 0 0 0
- 0.5554 -0.8715 0.0001 C 0 0 0
- -2.8858 0.6287 0.0013 C 0 0 0
- -2.2209 -1.7065 -0.0041 C 0 0 0
- 1.1623 1.9279 0.0003 C 0 0 0
- -1.2579 2.4609 0.0036 C 0 0 0
- 1.8865 -0.4434 -0.0006 C 0 0 0
- -2.5388 2.0463 0.0036 C 0 0 0
- -4.2291 0.2271 0.0019 C 0 0 0
- -3.5488 -2.0692 -0.0030 C 0 0 0
- 2.1960 0.9882 -0.0024 C 0 0 0
- 2.9500 -1.3678 0.0026 C 0 0 0
- -4.5443 -1.1005 -0.0006 C 0 0 0
- 3.5476 1.3894 -0.0025 C 0 0 0
- 4.2314 -0.9152 0.0024 C 0 0 0
- 2.6684 -2.8482 0.0067 C 0 0 0
- 4.5264 0.4471 -0.0051 C 0 0 0
- 0.3311 -1.8954 0.0000 H 0 0 0
- -1.4739 -2.4419 0.0000 H 0 0 0
- 1.3819 2.9528 0.0000 H 0 0 0
- -1.0458 3.4874 0.0000 H 0 0 0
- -3.3065 2.7600 0.0000 H 0 0 0
- -4.9913 0.9467 0.0000 H 0 0 0
- -3.8107 -3.0842 0.0000 H 0 0 0
- -5.5508 -1.3932 0.0000 H 0 0 0
- 3.7957 2.4078 0.0000 H 0 0 0
- 5.0179 -1.6082 0.0000 H 0 0 0
- 1.6387 -2.6523 0.0000 H 0 0 0
- 2.4725 -3.8779 0.0000 H 0 0 0
- 3.6981 -3.0441 0.0000 H 0 0 0
- 5.5292 0.7524 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-76-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.0000 -0.3467 0.0000 C 0 0 0
- -1.2492 0.5367 0.0000 C 0 0 0
- 1.2492 0.5367 0.0000 C 0 0 0
- -2.4487 -0.3115 0.0000 N 0 0 0
- 2.4487 -0.3115 0.0000 N 0 0 0
- -0.7490 -1.1857 0.0000 H 0 0 0
- 0.7490 -1.1857 0.0000 H 0 0 0
- -0.5002 1.3757 0.0000 H 0 0 0
- -1.9982 1.3757 0.0000 H 0 0 0
- 1.9982 1.3757 0.0000 H 0 0 0
- 0.5002 1.3757 0.0000 H 0 0 0
- -3.4702 0.1591 0.0000 H 0 0 0
- -2.3455 -1.4314 0.0000 H 0 0 0
- 2.3455 -1.4314 0.0000 H 0 0 0
- 3.4702 0.1591 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.0434 -2.5921 0.0048 O 0 0 0
- -0.1555 -1.3823 0.0046 C 0 0 0
- 1.0500 -0.5272 0.0013 C 0 0 0
- -1.4978 -0.7634 0.0015 C 0 0 0
- 0.9201 0.8730 0.0012 C 0 0 0
- 2.3180 -1.1014 -0.0006 C 0 0 0
- -1.6276 0.6368 0.0014 C 0 0 0
- -2.6386 -1.5610 -0.0017 C 0 0 0
- -0.4220 1.4919 0.0037 C 0 0 0
- 2.0604 1.6713 -0.0010 C 0 0 0
- 3.4414 -0.2930 -0.0027 C 0 0 0
- -2.8952 1.2118 -0.0020 C 0 0 0
- -3.8914 -0.9730 -0.0050 C 0 0 0
- -0.5342 2.7017 0.0039 O 0 0 0
- 3.3136 1.0839 -0.0029 C 0 0 0
- 4.8129 -0.9175 -0.0043 C 0 0 0
- -4.0190 0.4040 -0.0052 C 0 0 0
- 2.4215 -2.1402 0.0000 H 0 0 0
- -2.5493 -2.6011 0.0000 H 0 0 0
- 1.9705 2.7114 0.0000 H 0 0 0
- -2.9981 2.2507 0.0000 H 0 0 0
- -4.7458 -1.5729 0.0000 H 0 0 0
- 4.1678 1.6841 0.0000 H 0 0 0
- 4.3803 -1.8676 0.0000 H 0 0 0
- 5.7630 -1.3501 0.0000 H 0 0 0
- 5.2455 0.0326 0.0000 H 0 0 0
- -4.9690 0.8369 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 8 2 0
- 14 9 2 0
- 15 10 2 0
- 16 11 1 0
- 17 12 2 0
- 7 9 1 0
- 11 15 1 0
- 13 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 15 23 1 0
- 16 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -2.4565 -0.1817 -0.5762 C 0 0 0
- -2.8975 0.2828 0.6888 C 0 0 0
- -1.1962 0.2104 -1.0542 C 0 0 0
- -3.2927 -1.0225 -1.3318 C 0 0 0
- -2.0673 1.1282 1.4452 C 0 0 0
- -4.1599 -0.1112 1.1643 C 0 0 0
- -0.4075 1.0403 -0.2871 C 0 0 0
- -4.5108 -1.3786 -0.8407 C 0 0 0
- -0.8511 1.4940 0.9610 C 0 0 0
- -4.9400 -0.9303 0.4073 C 0 0 0
- 0.8467 1.4324 -0.7591 N 0 0 0
- 1.9852 0.6934 -0.4181 C 0 0 0
- 3.2472 1.1669 -0.7534 C 0 0 0
- 1.8541 -0.5109 0.2607 C 0 0 0
- 4.3699 0.4371 -0.4166 C 0 0 0
- 2.9783 -1.2395 0.5968 C 0 0 0
- 4.2377 -0.7687 0.2565 C 0 0 0
- 5.3440 -1.4869 0.5878 O 0 0 0
- -0.6935 -0.5982 0.0000 H 0 0 0
- -2.8062 -1.8410 0.0000 H 0 0 0
- -2.5595 1.9433 0.0000 H 0 0 0
- -4.6626 0.6975 0.0000 H 0 0 0
- -4.7568 -2.2984 0.0000 H 0 0 0
- -0.6135 2.4160 0.0000 H 0 0 0
- -5.8922 -0.9315 0.0000 H 0 0 0
- 0.9761 2.3757 0.0000 H 0 0 0
- 3.3505 2.1134 0.0000 H 0 0 0
- 0.9941 -0.9196 0.0000 H 0 0 0
- 5.2303 0.8449 0.0000 H 0 0 0
- 2.8751 -2.1860 0.0000 H 0 0 0
- 6.1426 -2.0054 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 7 9 2 0
- 8 10 1 0
- 16 17 2 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64188-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -0.2148 1.0550 0.7353 C 0 0 0
- -0.5475 -0.4446 0.7583 C 0 0 0
- -0.8744 0.3971 -0.4005 N 0 0 0
- 1.1822 1.4638 0.3330 C 0 0 0
- 0.5427 -1.4174 0.3764 C 0 0 0
- -2.3049 0.7160 -0.3005 C 0 0 0
- 2.1238 0.4976 -0.0027 C 0 0 0
- 1.5173 2.8027 0.3015 C 0 0 0
- 1.8021 -0.9502 0.0180 C 0 0 0
- 0.2796 -2.7726 0.3853 C 0 0 0
- -3.0563 0.0583 -1.4596 C 0 0 0
- -2.8533 0.1890 1.0271 C 0 0 0
- 3.4111 0.8975 -0.3720 C 0 0 0
- 2.7932 3.1905 -0.0649 C 0 0 0
- 2.7967 -1.8675 -0.3322 C 0 0 0
- 1.2691 -3.6741 0.0375 C 0 0 0
- -4.5461 0.3905 -1.3555 C 0 0 0
- -4.3431 0.5212 1.1313 C 0 0 0
- 3.7373 2.2366 -0.4007 C 0 0 0
- 2.5255 -3.2191 -0.3208 C 0 0 0
- -5.0945 -0.1365 -0.0279 C 0 0 0
- -0.7302 1.9258 0.0000 H 0 0 0
- -1.3790 -1.0212 0.0000 H 0 0 0
- -2.5551 1.6964 0.0000 H 0 0 0
- 0.7842 3.5001 0.0000 H 0 0 0
- -0.6809 -3.0910 0.0000 H 0 0 0
- -3.4783 -0.8614 0.0000 H 0 0 0
- -2.2453 -0.5468 0.0000 H 0 0 0
- -3.2610 -0.7371 0.0000 H 0 0 0
- -2.0239 -0.3907 0.0000 H 0 0 0
- 4.1485 0.2046 0.0000 H 0 0 0
- 3.0413 4.1715 0.0000 H 0 0 0
- 3.7591 -1.5551 0.0000 H 0 0 0
- 1.0723 -4.6666 0.0000 H 0 0 0
- -4.1384 1.3166 0.0000 H 0 0 0
- -5.3755 0.9702 0.0000 H 0 0 0
- -3.9211 1.4409 0.0000 H 0 0 0
- -5.1541 1.1263 0.0000 H 0 0 0
- 4.7123 2.5071 0.0000 H 0 0 0
- 3.2924 -3.8792 0.0000 H 0 0 0
- -6.0620 0.1598 0.0000 H 0 0 0
- -4.8827 -1.1259 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 17 21 1 0
- 2 3 1 0
- 7 9 1 0
- 14 19 1 0
- 16 20 1 0
- 18 21 1 0
- 1 22 1 0
- 2 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-149-57-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.6910 -0.5433 -0.2267 C 0 0 0
- -0.6465 -0.8692 0.4410 C 0 0 0
- 1.0739 0.8806 0.0845 C 0 0 0
- 1.7700 -1.4892 0.3043 C 0 0 0
- -1.7781 -0.1721 -0.3168 C 0 0 0
- 1.2254 1.7678 -0.9114 O 0 0 0
- 1.2446 1.2237 1.2303 O 0 0 0
- 2.9617 -1.4934 -0.6552 C 0 0 0
- -3.1156 -0.4980 0.3509 C 0 0 0
- -4.2472 0.1992 -0.4069 C 0 0 0
- 0.4537 -1.5115 0.0000 H 0 0 0
- -1.3699 -1.5551 0.0000 H 0 0 0
- -0.1696 -1.7445 0.0000 H 0 0 0
- 0.9287 -2.0239 0.0000 H 0 0 0
- 2.0468 -2.4469 0.0000 H 0 0 0
- -1.0547 0.5138 0.0000 H 0 0 0
- -2.2550 0.7032 0.0000 H 0 0 0
- 1.3932 2.7504 0.0000 H 0 0 0
- 2.9582 -2.4902 0.0000 H 0 0 0
- 3.9585 -1.4969 0.0000 H 0 0 0
- 2.9652 -0.4966 0.0000 H 0 0 0
- -3.8390 -1.1838 0.0000 H 0 0 0
- -2.6387 -1.3734 0.0000 H 0 0 0
- -3.7243 1.0479 0.0000 H 0 0 0
- -5.0959 0.7221 0.0000 H 0 0 0
- -4.7701 -0.6495 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-760-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.6195 0.2592 -0.1910 C 0 0 0
- -1.9425 0.7083 0.3739 C 0 0 0
- 0.5175 0.9665 0.5491 C 0 0 0
- -0.4527 -1.5242 0.0145 Cl 0 0 0
- -2.8189 1.2985 -0.4005 C 0 0 0
- 2.1003 0.4291 -0.1268 Cl 0 0 0
- -0.7393 1.3002 0.0000 H 0 0 0
- -2.4077 -0.2307 0.0000 H 0 0 0
- 1.0708 1.8564 0.0000 H 0 0 0
- -0.2235 1.7074 0.0000 H 0 0 0
- -2.7466 2.3439 0.0000 H 0 0 0
- -3.7604 0.8385 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134-29-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -2.6789 -0.5223 0.0597 C 0 0 0
- -3.5865 0.4459 -0.3656 C 0 0 0
- -1.4758 -0.1370 0.6267 C 0 0 0
- -2.9764 -1.8424 -0.0767 O 0 0 0
- -3.2800 1.7905 -0.2187 C 0 0 0
- -4.8039 0.0623 -0.9399 N 0 0 0
- -1.1770 1.2059 0.7701 C 0 0 0
- -1.8638 -2.5725 0.4438 C 0 0 0
- -2.0766 2.1668 0.3485 C 0 0 0
- 8.7094 0.0015 -0.1578 Cl 0 0 0
- -0.7407 -0.8081 0.0000 H 0 0 0
- -4.0110 2.4660 0.0000 H 0 0 0
- -5.5376 0.7349 0.0000 H 0 0 0
- -5.0195 -0.9094 0.0000 H 0 0 0
- -0.2169 1.4683 0.0000 H 0 0 0
- -2.4099 -3.4046 0.0000 H 0 0 0
- -1.0317 -3.1186 0.0000 H 0 0 0
- -1.3177 -1.7404 0.0000 H 0 0 0
- -1.8230 3.1293 0.0000 H 0 0 0
- 9.7047 0.0015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 9 2 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-659-70-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 1.1248 0.6546 0.2607 C 0 0 0
- -0.0107 0.0217 0.5949 O 0 0 0
- 2.4435 0.1790 0.8138 C 0 0 0
- 1.0903 1.6026 -0.4877 O 0 0 0
- -1.2812 0.4800 0.0620 C 0 0 0
- 3.3375 -0.2936 -0.3344 C 0 0 0
- -2.4078 -0.4073 0.5953 C 0 0 0
- 4.7901 -0.3545 0.1422 C 0 0 0
- 2.8911 -1.6847 -0.7889 C 0 0 0
- -3.7466 0.0757 0.0337 C 0 0 0
- -3.7164 -0.0016 -1.4941 C 0 0 0
- -4.8732 -0.8116 0.5670 C 0 0 0
- 3.3067 0.7793 0.0000 H 0 0 0
- 2.3064 1.2214 0.0000 H 0 0 0
- -0.7479 1.3861 0.0000 H 0 0 0
- -2.0731 1.1716 0.0000 H 0 0 0
- 3.6119 0.7213 0.0000 H 0 0 0
- -2.9412 -1.3134 0.0000 H 0 0 0
- -1.6159 -1.0989 0.0000 H 0 0 0
- 4.7461 -1.4050 0.0000 H 0 0 0
- 5.8406 -0.3985 0.0000 H 0 0 0
- 4.8341 0.6960 0.0000 H 0 0 0
- 1.8900 -1.3634 0.0000 H 0 0 0
- 2.5698 -2.6858 0.0000 H 0 0 0
- 3.8922 -2.0060 0.0000 H 0 0 0
- -3.9146 1.1136 0.0000 H 0 0 0
- -4.6957 -0.3842 0.0000 H 0 0 0
- -3.3338 -0.9809 0.0000 H 0 0 0
- -2.7371 0.3810 0.0000 H 0 0 0
- -5.5237 0.0144 0.0000 H 0 0 0
- -5.6992 -1.4621 0.0000 H 0 0 0
- -4.2227 -1.6376 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 10 11 1 0
- 10 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.4439 -0.0053 -0.0013 C 0 0 0
- -0.7900 0.8599 0.0013 C 0 0 0
- 1.6608 0.5613 -0.0001 O 0 0 0
- 0.3379 -1.2088 0.0007 O 0 0 0
- -1.9860 0.0069 -0.0006 N 0 0 0
- -0.0911 1.6492 0.0000 H 0 0 0
- -1.4952 1.6435 0.0000 H 0 0 0
- 2.6165 1.0063 0.0000 H 0 0 0
- -2.9453 0.4441 0.0000 H 0 0 0
- -1.8850 -1.0425 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6810-26-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.1760 0.0962 -0.0325 C 0 0 0
- -1.6560 0.0001 -0.0048 C 0 0 0
- 0.4392 1.2907 -0.4052 C 0 0 0
- 0.6016 -1.0056 0.3196 C 0 0 0
- -2.2901 -1.1578 -0.4506 C 0 0 0
- -2.4174 1.0656 0.4727 C 0 0 0
- 1.8145 1.3780 -0.4298 C 0 0 0
- 1.9771 -0.9140 0.2937 C 0 0 0
- -3.6676 -1.2419 -0.4221 C 0 0 0
- -3.7938 0.9705 0.4966 C 0 0 0
- 2.5884 0.2761 -0.0833 C 0 0 0
- -4.4182 -0.1796 0.0478 C 0 0 0
- 3.9808 0.3666 -0.1089 N 0 0 0
- 4.7699 -0.7550 0.2438 O 0 0 0
- -0.1145 2.1371 0.0000 H 0 0 0
- 0.1664 -1.9186 0.0000 H 0 0 0
- -1.7482 -2.0118 0.0000 H 0 0 0
- -1.9860 1.9804 0.0000 H 0 0 0
- 2.2522 2.2898 0.0000 H 0 0 0
- 2.5326 -1.7592 0.0000 H 0 0 0
- -4.1051 -2.1538 0.0000 H 0 0 0
- -4.3406 1.8214 0.0000 H 0 0 0
- -5.4279 -0.2391 0.0000 H 0 0 0
- 4.4174 1.2789 0.0000 H 0 0 0
- 5.3519 -1.5822 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 8 11 2 0
- 10 12 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52517-34-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 3.1978 -0.0994 -0.0830 C 0 0 0
- 2.0994 -0.9354 -0.2935 C 0 0 0
- 3.1772 1.3626 -0.1256 C 0 0 0
- 4.5029 -0.5119 0.2100 C 0 0 0
- 0.7935 -0.2650 -0.5986 C 0 0 2
- 2.3559 -2.2668 -0.1967 C 0 0 0
- 1.8704 2.0571 -0.4102 C 0 0 0
- 4.4214 1.7420 0.1222 C 0 0 0
- 5.2304 0.6339 0.3249 N 0 0 0
- 4.7323 -1.8833 0.3072 C 0 0 0
- 0.7293 1.1271 0.0304 C 0 0 1
- -0.3523 -1.1244 -0.0518 C 0 0 0
- 3.6436 -2.7172 0.0911 C 0 0 0
- -0.5497 1.7669 -0.3028 N 0 0 0
- -1.6812 -0.4034 -0.2924 C 0 0 2
- -1.6137 0.9891 0.3389 C 0 0 0
- -0.5428 3.0861 0.3434 C 0 0 0
- -2.8177 -1.2006 0.3510 C 0 0 0
- -4.5243 -0.2747 0.0420 Br 0 0 0
- -0.1490 0.1794 0.0000 H 0 0 0
- 1.5673 -2.9478 0.0000 H 0 0 0
- 2.4770 2.9044 0.0000 H 0 0 0
- 1.1109 2.7705 0.0000 H 0 0 0
- 4.7513 2.7304 0.0000 H 0 0 0
- 6.2719 0.6677 0.0000 H 0 0 0
- 5.7016 -2.2656 0.0000 H 0 0 0
- 1.6806 0.7018 0.0000 H 0 0 0
- -0.9750 -1.9599 0.0000 H 0 0 0
- 0.3856 -1.8601 0.0000 H 0 0 0
- 3.8082 -3.7461 0.0000 H 0 0 0
- -2.5938 0.0996 0.0000 H 0 0 0
- -2.0240 1.9469 0.0000 H 0 0 0
- -2.6392 0.8045 0.0000 H 0 0 0
- 0.4992 3.0807 0.0000 H 0 0 0
- -0.5373 4.1281 0.0000 H 0 0 0
- -1.5848 3.0916 0.0000 H 0 0 0
- -3.4492 -2.0294 0.0000 H 0 0 0
- -2.0955 -1.9518 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 18 19 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 15 16 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-479-50-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- 0.8395 0.5923 -0.1098 C 0 0 0
- 1.7935 1.6313 -0.0391 C 0 0 0
- -0.5238 0.9477 -0.0183 C 0 0 0
- 1.2262 -0.7986 -0.2842 C 0 0 0
- 3.4955 1.1297 -0.1185 S 0 0 0
- 1.4228 2.9510 0.0894 C 0 0 0
- -0.8800 2.2781 0.1153 C 0 0 0
- -1.5047 -0.0353 -0.0626 N 0 0 0
- 2.5362 -1.4037 -0.0703 C 0 0 0
- 0.3450 -1.5537 -0.6552 O 0 0 0
- 3.7115 -0.6277 0.0174 C 0 0 0
- 0.0792 3.2754 0.1658 C 0 0 0
- 2.4705 4.0327 0.1470 C 0 0 0
- -2.9187 0.3360 0.0326 C 0 0 0
- 2.6633 -2.7965 0.0519 C 0 0 0
- 4.9498 -1.2050 0.2000 C 0 0 0
- -3.7830 -0.9243 -0.0415 C 0 0 0
- 3.8927 -3.3580 0.2373 C 0 0 0
- 5.0401 -2.5803 0.3094 C 0 0 0
- -5.2009 -0.5519 0.0540 N 0 0 0
- -5.8647 -1.1102 -1.1316 C 0 0 0
- -5.7467 -1.2632 1.2176 C 0 0 0
- -6.5605 0.0131 -1.9029 C 0 0 0
- -6.3163 -0.2506 2.2132 C 0 0 0
- -1.8876 2.5377 0.0000 H 0 0 0
- -1.2323 -1.0396 0.0000 H 0 0 0
- -0.2123 4.2743 0.0000 H 0 0 0
- 3.2179 3.3088 0.0000 H 0 0 0
- 3.1944 4.7801 0.0000 H 0 0 0
- 1.7231 4.7566 0.0000 H 0 0 0
- -2.5409 1.3055 0.0000 H 0 0 0
- -3.8386 0.8224 0.0000 H 0 0 0
- 1.8144 -3.3983 0.0000 H 0 0 0
- 5.8086 -0.6174 0.0000 H 0 0 0
- -4.1608 -1.8938 0.0000 H 0 0 0
- -2.8631 -1.4107 0.0000 H 0 0 0
- 3.9796 -4.3949 0.0000 H 0 0 0
- 5.9749 -3.0374 0.0000 H 0 0 0
- -6.7218 -1.7002 0.0000 H 0 0 0
- -5.2341 -1.9379 0.0000 H 0 0 0
- -6.5769 -1.8905 0.0000 H 0 0 0
- -5.0137 -2.0017 0.0000 H 0 0 0
- -5.6759 0.5610 0.0000 H 0 0 0
- -7.1084 0.8977 0.0000 H 0 0 0
- -7.4451 -0.5348 0.0000 H 0 0 0
- -5.4094 0.2596 0.0000 H 0 0 0
- -6.8265 0.6563 0.0000 H 0 0 0
- -7.2232 -0.7608 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 7 12 1 0
- 9 11 2 0
- 18 19 1 0
- 7 25 1 0
- 8 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 21 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21247-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.5476 0.0701 0.0571 C 0 0 0
- -1.9528 0.1003 0.0151 C 0 0 0
- 0.1801 1.2710 -0.0188 C 0 0 0
- 0.1475 -1.2115 0.1858 C 0 0 0
- -2.6179 1.3425 -0.1039 C 0 0 0
- -2.6906 -1.1019 0.0919 C 0 0 0
- 1.6394 1.2041 0.0276 C 0 0 0
- -0.5043 2.4954 -0.1360 C 0 0 0
- 1.5315 -1.2412 0.2267 C 0 0 0
- -0.6460 -2.4383 0.2680 C 0 0 0
- -1.8598 2.5324 -0.1781 C 0 0 0
- -4.0172 1.3605 -0.1447 C 0 0 0
- -1.9945 -2.3800 0.2156 C 0 0 0
- -4.0851 -1.0407 0.0477 C 0 0 0
- 2.2795 -0.0552 0.1468 C 0 0 0
- 2.4134 2.3688 -0.0446 C 0 0 0
- 2.2438 -2.5626 0.3592 C 0 0 0
- -4.7257 0.1795 -0.0693 C 0 0 0
- 3.6872 -0.1030 0.1899 C 0 0 0
- 3.7731 2.2837 0.0001 C 0 0 0
- 2.5062 -3.0947 -0.9408 O 0 0 0
- 4.4070 1.0491 0.1172 C 0 0 0
- 0.0403 3.3953 0.0000 H 0 0 0
- -0.1633 -3.3728 0.0000 H 0 0 0
- -2.3531 3.4614 0.0000 H 0 0 0
- -4.5296 2.2791 0.0000 H 0 0 0
- -2.5511 -3.2725 0.0000 H 0 0 0
- -4.6488 -1.9287 0.0000 H 0 0 0
- 1.9456 3.3109 0.0000 H 0 0 0
- 3.2941 -2.6187 0.0000 H 0 0 0
- 2.8069 -1.6742 0.0000 H 0 0 0
- -5.7771 0.2094 0.0000 H 0 0 0
- 4.1815 -1.0315 0.0000 H 0 0 0
- 4.3491 3.1638 0.0000 H 0 0 0
- 2.9714 -4.0381 0.0000 H 0 0 0
- 5.4579 1.0049 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 2 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-459-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -2.5276 -0.3468 -0.4345 C 0 0 0
- -3.1956 0.3896 0.5919 O 0 0 0
- -1.0369 -0.2056 -0.2649 C 0 0 0
- -0.2560 -1.3273 -0.0583 C 0 0 0
- -0.4505 1.0453 -0.3218 C 0 0 0
- 1.1114 -1.1990 0.0974 C 0 0 0
- 0.9162 1.1760 -0.1664 C 0 0 0
- 1.6988 0.0535 0.0463 C 0 0 0
- 3.0353 0.1800 0.1983 F 0 0 0
- -3.4198 -0.8608 0.0000 H 0 0 0
- -2.2149 -1.3279 0.0000 H 0 0 0
- -3.8874 1.1523 0.0000 H 0 0 0
- -0.6895 -2.2613 0.0000 H 0 0 0
- -1.0437 1.8870 0.0000 H 0 0 0
- 1.7037 -2.0413 0.0000 H 0 0 0
- 1.3485 2.1105 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-198-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -1.4345 -0.0003 0.0023 C 0 0 0
- -0.7375 -1.2285 0.0023 C 0 0 0
- -0.7373 1.2282 0.0019 C 0 0 0
- -2.8487 0.0001 -0.0031 C 0 0 0
- 0.7374 -1.2286 0.0012 C 0 0 0
- -1.4534 -2.4158 0.0030 C 0 0 0
- 0.7376 1.2282 0.0009 C 0 0 0
- -1.4524 2.4156 0.0019 C 0 0 0
- -3.5365 -1.2256 -0.0084 C 0 0 0
- -3.5362 1.2264 -0.0027 C 0 0 0
- 1.4347 -0.0002 0.0003 C 0 0 0
- 1.4529 -2.4158 0.0005 C 0 0 0
- -2.8425 -2.3998 0.0036 C 0 0 0
- 1.4526 2.4156 0.0003 C 0 0 0
- -2.8420 2.4001 0.0023 C 0 0 0
- 2.8486 0.0000 -0.0012 C 0 0 0
- 2.8425 -2.3999 -0.0011 C 0 0 0
- 2.8422 2.4000 -0.0010 C 0 0 0
- 3.5365 -1.2261 -0.0014 C 0 0 0
- 3.5363 1.2262 -0.0015 C 0 0 0
- -0.9432 -3.3315 0.0000 H 0 0 0
- -0.9418 3.3310 0.0000 H 0 0 0
- -4.5846 -1.2374 0.0000 H 0 0 0
- -4.5843 1.2385 0.0000 H 0 0 0
- 0.9426 -3.3314 0.0000 H 0 0 0
- -3.3672 -3.3072 0.0000 H 0 0 0
- 0.9420 3.3310 0.0000 H 0 0 0
- -3.3664 3.3077 0.0000 H 0 0 0
- 3.3671 -3.3074 0.0000 H 0 0 0
- 3.3667 3.3076 0.0000 H 0 0 0
- 4.5846 -1.2380 0.0000 H 0 0 0
- 4.5844 1.2382 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 16 20 1 0
- 7 11 1 0
- 9 13 1 0
- 10 15 2 0
- 17 19 2 0
- 18 20 2 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-56-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -0.6315 -1.9201 -0.1644 C 0 0 0
- -2.0758 -1.7579 0.3136 C 0 0 0
- 0.1502 -0.8171 0.2986 O 0 0 0
- -2.6153 -0.5406 -0.2052 O 0 0 0
- 1.4813 -1.0254 -0.1776 C 0 0 0
- -3.9584 -0.4469 0.2738 C 0 0 0
- 2.3749 0.1269 0.2858 C 0 0 0
- -4.5973 0.8415 -0.2483 C 0 0 0
- 4.0609 -0.1370 -0.3174 S 0 0 0
- -6.0353 0.9418 0.2645 C 0 0 0
- 5.3588 1.0639 0.0692 C 0 0 0
- -6.6743 2.2303 -0.2576 C 0 0 0
- 6.1733 1.8177 0.3119 N 0 0 0
- -0.9297 -2.9567 0.0000 H 0 0 0
- 0.3405 -2.3876 0.0000 H 0 0 0
- -3.1233 -2.0152 0.0000 H 0 0 0
- -2.0063 -2.8343 0.0000 H 0 0 0
- 1.1386 -2.0481 0.0000 H 0 0 0
- 2.4323 -1.5344 0.0000 H 0 0 0
- -4.9939 -0.7488 0.0000 H 0 0 0
- -3.8432 -1.5194 0.0000 H 0 0 0
- 2.7177 1.1496 0.0000 H 0 0 0
- 1.4239 0.6360 0.0000 H 0 0 0
- -3.5618 1.1434 0.0000 H 0 0 0
- -4.7125 1.9140 0.0000 H 0 0 0
- -7.0708 0.6399 0.0000 H 0 0 0
- -5.9201 -0.1307 0.0000 H 0 0 0
- -5.7080 2.7095 0.0000 H 0 0 0
- -7.1535 3.1966 0.0000 H 0 0 0
- -7.6406 1.7511 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 3 0
- 1 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95896-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4261 -0.5489 -0.0015 C 0 0 0
- -1.0002 -0.2331 -0.0006 C 0 0 0
- 1.3467 0.5024 -0.0012 C 0 0 0
- 1.1295 -1.7041 0.0027 N 0 0 0
- -1.3961 1.1278 0.0006 C 0 0 0
- -1.9250 -1.1918 -0.0012 N 0 0 0
- 0.9061 1.8282 -0.0001 C 0 0 0
- 2.5999 -0.0854 -0.0018 N 0 0 0
- 2.4134 -1.4362 -0.0002 C 0 0 0
- -0.4151 2.1376 0.0013 C 0 0 0
- -2.6981 1.4323 0.0015 N 0 0 0
- -3.2002 -0.8680 -0.0008 C 0 0 0
- 1.9222 2.9410 0.0002 C 0 0 0
- 3.8873 0.6137 -0.0018 C 0 0 0
- 3.4217 -2.3778 0.0026 N 0 0 0
- -3.5931 0.4694 0.0013 C 0 0 0
- -4.2459 -1.9531 -0.0015 C 0 0 0
- -0.7069 3.1339 0.0000 H 0 0 0
- 2.6888 2.2410 0.0000 H 0 0 0
- 2.6222 3.7076 0.0000 H 0 0 0
- 1.1556 3.6410 0.0000 H 0 0 0
- 4.3827 -0.2986 0.0000 H 0 0 0
- 4.7996 1.1091 0.0000 H 0 0 0
- 3.3919 1.5260 0.0000 H 0 0 0
- 3.1874 -3.3892 0.0000 H 0 0 0
- 4.4147 -2.0750 0.0000 H 0 0 0
- -4.6035 0.7077 0.0000 H 0 0 0
- -4.9934 -1.2327 0.0000 H 0 0 0
- -4.9663 -2.7006 0.0000 H 0 0 0
- -3.4984 -2.6735 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 10 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17796-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -2.1547 0.6396 -0.3457 C 0 0 0
- -2.2847 -0.5256 0.4372 C 0 0 0
- -0.8341 0.5403 -1.0023 C 0 0 0
- -3.1780 1.5730 -0.3669 C 0 0 0
- -1.0387 -1.2933 0.2297 C 0 0 0
- -3.4330 -0.7285 1.1850 C 0 0 0
- -0.2494 -0.6086 -0.6176 N 0 0 0
- -0.3568 1.3588 -1.7619 O 0 0 0
- -4.3237 1.3542 0.3828 C 0 0 0
- -0.7721 -2.3631 0.7389 O 0 0 0
- -4.4470 0.2168 1.1579 C 0 0 0
- 1.2451 -1.1137 -1.1212 S 0 0 0
- 2.2810 -0.3642 0.1655 C 0 0 0
- 3.7489 -0.7054 -0.0986 C 0 0 0
- 2.0991 1.1548 0.1462 C 0 0 0
- 4.6227 -0.0733 0.9866 C 0 0 0
- 2.9729 1.7869 1.2315 C 0 0 0
- 4.4408 1.4457 0.9673 C 0 0 0
- -2.9162 2.4996 0.0000 H 0 0 0
- -3.7062 -1.6518 0.0000 H 0 0 0
- -5.0315 2.0070 0.0000 H 0 0 0
- -5.3494 -0.1190 0.0000 H 0 0 0
- 2.4713 -1.3081 0.0000 H 0 0 0
- 3.3153 -1.5652 0.0000 H 0 0 0
- 4.4817 -1.3300 0.0000 H 0 0 0
- 1.6740 2.0188 0.0000 H 0 0 0
- 1.1759 0.8811 0.0000 H 0 0 0
- 5.0478 -0.9373 0.0000 H 0 0 0
- 5.5459 0.2004 0.0000 H 0 0 0
- 3.4065 2.6467 0.0000 H 0 0 0
- 2.2401 2.4115 0.0000 H 0 0 0
- 5.4037 1.4489 0.0000 H 0 0 0
- 4.5489 2.4025 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 5 7 1 0
- 9 11 2 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3058-37-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 7 1 V2000
- -3.7710 -0.4442 -0.3769 N 0 0 0
- -4.5824 0.2370 0.3591 N 0 0 0
- -2.5290 -0.9699 0.1952 C 0 0 0
- -5.6150 0.6741 -0.1165 O 0 0 0
- 6.0677 0.0963 -0.0059 K 0 3 0
- -2.8568 -1.7444 0.0000 H 0 0 0
- -1.7545 -1.2977 0.0000 H 0 0 0
- -2.2012 -0.1954 0.0000 H 0 0 0
- -6.3894 1.0019 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-137-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.7835 -0.6134 -0.0014 C 0 0 0
- -0.6652 -0.3299 -0.0008 C 0 0 0
- 1.7243 0.4661 -0.0007 C 0 0 0
- 1.2205 -1.8879 0.0028 C 0 0 0
- -1.1022 0.9446 0.0006 O 0 0 0
- -1.4634 -1.2457 -0.0014 O 0 0 0
- 2.4707 1.3225 -0.0001 N 0 0 0
- -2.5272 1.2235 0.0013 C 0 0 0
- 0.5566 -2.6497 0.0000 H 0 0 0
- 2.2122 -2.0820 0.0000 H 0 0 0
- -2.3331 2.2152 0.0000 H 0 0 0
- -3.5189 1.4176 0.0000 H 0 0 0
- -2.7213 0.2318 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 3 0
- 5 8 1 0
- 4 9 1 0
- 4 10 1 0
- 8 11 1 0
- 8 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28911-01-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 1.2909 -0.8654 -0.1433 C 0 0 0
- 0.0131 -0.4896 -0.5627 C 0 0 0
- 2.3610 0.0300 -0.1481 N 0 0 0
- 1.5259 -2.1711 0.2759 C 0 0 0
- -0.3279 0.8824 -0.9553 C 0 0 0
- -1.0021 -1.4574 -0.5952 C 0 0 0
- 2.5883 0.9942 -1.0744 C 0 0 0
- 3.3867 0.1101 0.7400 C 0 0 0
- 0.5131 -3.1068 0.2525 C 0 0 0
- -1.6340 1.3894 -0.4756 C 0 0 0
- 0.3693 1.7007 -1.6658 N 0 0 0
- -0.7501 -2.7493 -0.1914 C 0 0 0
- 1.6722 1.3252 -2.2255 C 0 0 0
- 3.7115 1.5754 -0.7646 N 0 0 0
- 4.1831 1.0565 0.3157 N 0 0 0
- 3.5709 -0.7307 1.9769 C 0 0 0
- -1.8549 1.5757 0.8904 C 0 0 0
- -2.6468 1.6882 -1.3867 C 0 0 0
- -2.0184 -3.9338 -0.2385 Cl 0 0 0
- -3.0754 2.0493 1.3307 C 0 0 0
- -0.5990 1.2125 2.0326 Cl 0 0 0
- -3.8614 2.1607 -0.9337 C 0 0 0
- -4.0767 2.3385 0.4214 C 0 0 0
- 2.4541 -2.4822 0.0000 H 0 0 0
- -1.9349 -1.1603 0.0000 H 0 0 0
- 0.7411 -4.0589 0.0000 H 0 0 0
- 2.4066 1.9726 0.0000 H 0 0 0
- 1.4576 2.2804 0.0000 H 0 0 0
- 2.6146 -0.9402 0.0000 H 0 0 0
- 3.7804 -1.6870 0.0000 H 0 0 0
- 4.5272 -0.5212 0.0000 H 0 0 0
- -2.9631 0.7617 0.0000 H 0 0 0
- -2.7622 2.9768 0.0000 H 0 0 0
- -4.3569 1.3163 0.0000 H 0 0 0
- -4.9425 2.7955 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 8 15 2 0
- 8 16 1 0
- 10 17 1 0
- 10 18 2 0
- 12 19 1 0
- 17 20 2 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 9 12 1 0
- 11 13 1 0
- 14 15 1 0
- 22 23 2 0
- 4 24 1 0
- 6 25 1 0
- 9 26 1 0
- 13 27 1 0
- 13 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 20 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2746-81-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 79 1 V2000
- 3.7077 1.0059 0.0698 C 0 0 0
- 4.0148 -0.2448 -0.4657 N 0 0 0
- 4.1586 1.3915 1.3262 C 0 0 0
- 2.9351 1.8819 -0.6847 C 0 0 0
- 5.1620 -0.9571 -0.1167 C 0 0 0
- 3.0915 -0.8365 -1.4372 C 0 0 0
- 5.1457 0.3281 2.3182 S 0 0 0
- 3.8246 2.6500 1.8177 C 0 0 0
- 2.6098 3.1301 -0.1883 C 0 0 0
- 5.7752 -0.7913 1.1189 C 0 0 0
- 5.6962 -1.8519 -1.0375 C 0 0 0
- 2.0472 -1.6782 -0.7011 C 0 0 0
- 3.0526 3.5124 1.0637 C 0 0 0
- 1.7719 4.0738 -1.0120 C 0 0 0
- 6.9183 -1.5258 1.4208 C 0 0 0
- 6.8324 -2.5756 -0.7288 C 0 0 0
- 1.0830 -2.2961 -1.7156 C 0 0 0
- 1.5777 5.2644 -0.3036 F 0 0 0
- 2.4279 4.3496 -2.2165 F 0 0 0
- 0.5323 3.4835 -1.2806 F 0 0 0
- 7.4426 -2.4124 0.5004 C 0 0 0
- 0.0804 -3.1043 -1.0089 N 0 0 0
- -0.8082 -3.6653 -2.0340 C 0 0 0
- -0.7253 -2.1728 -0.2099 C 0 0 0
- -1.9545 -4.4224 -1.3625 C 0 0 0
- -1.8716 -2.9300 0.4617 C 0 0 0
- -2.7602 -3.4909 -0.5635 N 0 0 0
- -3.7629 -4.2991 0.1433 C 0 0 0
- -4.6421 -3.3860 1.0000 C 0 0 0
- -5.3122 -2.4203 0.1475 O 0 0 0
- -6.1408 -1.5115 0.6852 C 0 0 0
- -6.8363 -0.5093 -0.1996 C 0 0 0
- -6.3290 -1.4969 1.8786 O 0 0 0
- -7.7155 0.4039 0.6572 C 0 0 0
- -8.4216 1.4214 -0.2412 C 0 0 0
- -9.3008 2.3345 0.6156 C 0 0 0
- -10.0070 3.3520 -0.2827 C 0 0 0
- -10.8862 4.2651 0.5741 C 0 0 0
- 2.1150 1.4457 0.0000 H 0 0 0
- 3.0150 0.0892 0.0000 H 0 0 0
- 2.2378 -0.4705 0.0000 H 0 0 0
- 4.6421 3.0911 0.0000 H 0 0 0
- 5.0300 -2.4991 0.0000 H 0 0 0
- 2.1237 -2.6039 0.0000 H 0 0 0
- 2.9009 -2.0442 0.0000 H 0 0 0
- 3.1122 4.4394 0.0000 H 0 0 0
- 7.5872 -0.8813 0.0000 H 0 0 0
- 6.6909 -3.4936 0.0000 H 0 0 0
- 1.0065 -1.3704 0.0000 H 0 0 0
- 0.2292 -1.9302 0.0000 H 0 0 0
- 8.3025 -2.7636 0.0000 H 0 0 0
- -0.8513 -2.7374 0.0000 H 0 0 0
- -1.6362 -3.2443 0.0000 H 0 0 0
- 0.0028 -1.5960 0.0000 H 0 0 0
- -1.2702 -1.4205 0.0000 H 0 0 0
- -2.6826 -4.9992 0.0000 H 0 0 0
- -1.4096 -5.1747 0.0000 H 0 0 0
- -1.8286 -3.8579 0.0000 H 0 0 0
- -1.0436 -3.3510 0.0000 H 0 0 0
- -4.4506 -4.9235 0.0000 H 0 0 0
- -3.1590 -5.0049 0.0000 H 0 0 0
- -5.5624 -3.5122 0.0000 H 0 0 0
- -4.9466 -4.2635 0.0000 H 0 0 0
- -5.9160 -0.3831 0.0000 H 0 0 0
- -6.5318 0.3682 0.0000 H 0 0 0
- -8.6358 0.2777 0.0000 H 0 0 0
- -8.0200 -0.4736 0.0000 H 0 0 0
- -7.5013 1.5476 0.0000 H 0 0 0
- -8.1171 2.2989 0.0000 H 0 0 0
- -10.2211 2.2082 0.0000 H 0 0 0
- -9.6053 1.4569 0.0000 H 0 0 0
- -9.0867 3.4783 0.0000 H 0 0 0
- -9.7025 4.2296 0.0000 H 0 0 0
- -10.2171 4.9094 0.0000 H 0 0 0
- -11.5305 4.9342 0.0000 H 0 0 0
- -11.5553 3.6208 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 2 0
- 17 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 31 32 1 0
- 31 33 2 0
- 32 34 1 0
- 34 35 1 0
- 35 36 1 0
- 36 37 1 0
- 37 38 1 0
- 7 10 1 0
- 9 13 1 0
- 16 21 1 0
- 26 27 1 0
- 4 39 1 0
- 6 40 1 0
- 6 41 1 0
- 8 42 1 0
- 11 43 1 0
- 12 44 1 0
- 12 45 1 0
- 13 46 1 0
- 15 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 21 51 1 0
- 23 52 1 0
- 23 53 1 0
- 24 54 1 0
- 24 55 1 0
- 25 56 1 0
- 25 57 1 0
- 26 58 1 0
- 26 59 1 0
- 28 60 1 0
- 28 61 1 0
- 29 62 1 0
- 29 63 1 0
- 32 64 1 0
- 32 65 1 0
- 34 66 1 0
- 34 67 1 0
- 35 68 1 0
- 35 69 1 0
- 36 70 1 0
- 36 71 1 0
- 37 72 1 0
- 37 73 1 0
- 38 74 1 0
- 38 75 1 0
- 38 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18463-85-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -3.6760 0.5389 -0.0027 C 0 0 0
- -4.1249 -0.8038 -0.0023 C 0 0 0
- -2.3474 0.8726 -0.0020 C 0 0 0
- -5.2045 1.4421 0.0029 S 0 0 0
- -3.1273 -1.8076 -0.0016 C 0 0 0
- -5.4653 -0.9435 -0.0028 N 0 0 0
- -1.3873 -0.1443 -0.0008 C 0 0 0
- -6.2773 0.0769 0.0053 C 0 0 0
- -1.8108 -1.4822 -0.0012 C 0 0 0
- -0.0566 0.1604 -0.0005 N 0 0 0
- 0.8214 -0.7847 0.0006 N 0 0 0
- 2.1517 -0.4801 0.0008 C 0 0 0
- 3.1054 -1.5035 0.0020 C 0 0 0
- 2.5653 0.8566 -0.0059 C 0 0 0
- 4.4465 -1.1922 0.0023 C 0 0 0
- 3.9078 1.1597 -0.0056 C 0 0 0
- 4.8537 0.1385 0.0014 C 0 0 0
- 6.2115 0.4493 0.0017 N 0 0 0
- 6.6424 1.8495 0.0007 C 0 0 0
- 7.2086 -0.6239 0.0029 C 0 0 0
- -2.0548 1.8751 0.0000 H 0 0 0
- -3.4090 -2.8132 0.0000 H 0 0 0
- -7.3216 0.0737 0.0000 H 0 0 0
- -1.0964 -2.2440 0.0000 H 0 0 0
- 2.8005 -2.5023 0.0000 H 0 0 0
- 1.8562 1.6233 0.0000 H 0 0 0
- 5.1591 -1.9556 0.0000 H 0 0 0
- 4.2172 2.1571 0.0000 H 0 0 0
- 7.6405 1.5423 0.0000 H 0 0 0
- 6.9496 2.8476 0.0000 H 0 0 0
- 5.6443 2.1567 0.0000 H 0 0 0
- 6.4435 -1.3347 0.0000 H 0 0 0
- 7.9194 -1.3890 0.0000 H 0 0 0
- 7.9737 0.0869 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 6 8 2 0
- 7 9 1 0
- 16 17 1 0
- 3 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86-50-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -3.3833 0.4464 -0.1528 C 0 0 0
- -3.8449 -0.8458 0.1797 C 0 0 0
- -1.9537 0.6191 -0.4529 C 0 0 0
- -4.2729 1.5189 -0.1851 C 0 0 0
- -2.9662 -1.8783 0.2127 N 0 0 0
- -5.1990 -1.0345 0.4687 C 0 0 0
- -1.1673 -0.4812 -0.3901 N 0 0 0
- -1.4959 1.7082 -0.7464 O 0 0 0
- -5.6021 1.3085 0.1092 C 0 0 0
- -1.7200 -1.7188 -0.0501 N 0 0 0
- -6.0620 0.0368 0.4258 C 0 0 0
- 0.2650 -0.3742 -0.6787 C 0 0 0
- 1.1654 -0.0147 0.8545 S 0 0 0
- 3.1468 0.0738 0.1057 P 0 0 0
- 3.3525 1.4484 -0.7069 O 0 0 0
- 4.1874 0.0150 1.3328 O 0 0 0
- 3.4459 -1.3712 -1.0323 S 0 0 0
- 2.9155 2.5046 0.1507 C 0 0 0
- 5.4891 -0.1385 0.7635 C 0 0 0
- -3.9141 2.4702 0.0000 H 0 0 0
- -5.5734 -1.9798 0.0000 H 0 0 0
- -6.2496 2.0924 0.0000 H 0 0 0
- -7.0648 -0.1308 0.0000 H 0 0 0
- -0.0810 -1.3302 0.0000 H 0 0 0
- 0.9955 -1.0813 0.0000 H 0 0 0
- 3.8550 2.8933 0.0000 H 0 0 0
- 2.5268 3.4441 0.0000 H 0 0 0
- 1.9760 2.1159 0.0000 H 0 0 0
- 5.3700 -1.1482 0.0000 H 0 0 0
- 6.4988 -0.2576 0.0000 H 0 0 0
- 5.6082 0.8712 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 7 10 1 0
- 9 11 1 0
- 4 20 1 0
- 6 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92134-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.5014 -0.4175 -0.4600 C 0 0 0
- -0.8930 -0.1243 -0.0773 N 0 0 0
- 1.3745 1.1659 -0.1040 S 0 0 0
- 1.0569 -1.5205 0.4432 C 0 0 0
- -1.1259 1.1714 0.5543 C 0 0 0
- -1.8500 -0.9631 -0.2887 N 0 0 0
- -0.1277 2.2378 0.0147 C 0 0 0
- 2.4075 -1.8045 0.0726 O 0 0 0
- -2.9885 -0.6839 0.0419 O 0 0 0
- -0.1298 -1.2379 0.0000 H 0 0 0
- 0.0519 -1.7685 0.0000 H 0 0 0
- 1.0749 -2.5554 0.0000 H 0 0 0
- -1.7145 2.0228 0.0000 H 0 0 0
- -2.0827 0.7766 0.0000 H 0 0 0
- 0.5102 3.0530 0.0000 H 0 0 0
- -0.9139 2.9111 0.0000 H 0 0 0
- 3.4204 -2.0175 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 5 7 1 0
- 1 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-606-31-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.0765 -0.1467 -0.0099 C 0 0 0
- -1.3345 0.4628 0.0284 C 0 0 0
- 1.0761 0.6455 -0.0254 C 0 0 0
- 0.0342 -1.6141 -0.0277 C 0 0 0
- -1.4298 1.8384 0.0506 C 0 0 0
- -2.5606 -0.3663 0.0445 N 0 3 0
- 0.9642 2.0194 -0.0028 C 0 0 0
- 2.4125 0.0104 -0.0664 N 0 3 0
- 1.1238 -2.1408 0.0471 O 0 0 0
- -0.2847 2.6152 0.0351 C 0 0 0
- -3.4855 -0.1003 -0.7020 O 0 0 0
- -2.6445 -1.3146 0.8043 O 0 5 0
- 3.2286 0.2521 0.8049 O 0 0 0
- 2.6961 -0.7539 -0.9713 O 0 5 0
- -0.8221 -2.1973 0.0000 H 0 0 0
- -2.3614 2.2916 0.0000 H 0 0 0
- 1.8172 2.6073 0.0000 H 0 0 0
- -0.3628 3.6482 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 7 10 1 0
- 4 15 1 0
- 5 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54755-20-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.0860 -0.0150 0.0007 C 0 0 0
- -1.0438 1.0296 -0.0233 C 0 0 0
- 1.2820 0.3038 -0.0329 C 0 0 0
- -0.5231 -1.3493 0.0635 C 0 0 0
- -2.4122 0.7104 0.0102 C 0 0 0
- -0.6067 2.3637 -0.0807 C 0 0 0
- 1.6684 1.6079 -0.0879 C 0 0 0
- 2.2976 -0.7728 -0.0081 N 0 3 0
- -1.8562 -1.6201 0.1003 C 0 0 0
- -2.7983 -0.5934 0.0652 C 0 0 0
- 0.7269 2.6347 -0.1124 C 0 0 0
- 3.2534 -0.6911 0.7425 O 0 0 0
- 2.1775 -1.7402 -0.7382 O 0 5 0
- -4.2664 -0.9317 0.1011 C 0 0 0
- 0.1717 -2.1299 0.0000 H 0 0 0
- -3.1292 1.4708 0.0000 H 0 0 0
- -1.3015 3.1443 0.0000 H 0 0 0
- 2.6867 1.8431 0.0000 H 0 0 0
- -2.1790 -2.6141 0.0000 H 0 0 0
- 1.0498 3.6286 0.0000 H 0 0 0
- -4.5011 0.0867 0.0000 H 0 0 0
- -5.2848 -1.1664 0.0000 H 0 0 0
- -4.0317 -1.9501 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 8 13 1 0
- 10 14 1 0
- 7 11 2 0
- 9 10 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 11 20 1 0
- 14 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66-56-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.5014 -0.1185 -0.0024 C 0 0 0
- -0.5087 0.8242 -0.0004 C 0 0 0
- 1.8277 0.2878 -0.0021 C 0 0 0
- 0.1685 -1.5607 0.0014 N 0 3 0
- -1.9241 0.3914 -0.0007 N 0 3 0
- -0.1984 2.1714 0.0014 C 0 0 0
- 2.1364 1.6406 0.0001 C 0 0 0
- 2.8230 -0.6375 -0.0036 O 0 0 0
- 0.0278 -2.1560 -1.0518 O 0 0 0
- 0.0354 -2.1523 1.0578 O 0 5 0
- -2.8150 1.2220 0.0011 O 0 0 0
- -2.1980 -0.7954 -0.0027 O 0 5 0
- 1.1230 2.5790 0.0016 C 0 0 0
- -0.9573 2.8770 0.0000 H 0 0 0
- 3.1264 1.9466 0.0000 H 0 0 0
- 3.5819 -1.3431 0.0000 H 0 0 0
- 1.3531 3.5894 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 13 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118244-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 92 95 1 V2000
- -4.4266 0.4892 -1.0107 C 0 0 1
- -3.7159 1.7749 -0.6301 C 0 0 1
- -4.8423 -0.2103 0.2934 C 0 0 1
- -5.6715 0.8087 -1.8405 C 0 0 0
- -2.4202 1.3711 0.1234 C 0 0 1
- -3.1539 2.5933 -1.7974 C 0 0 0
- -5.5156 -1.5426 -0.0487 C 0 0 2
- -3.6426 -0.4694 1.1998 C 0 0 2
- -6.3594 -0.4947 -2.2580 C 0 0 0
- -1.6127 2.6647 0.1491 C 0 0 2
- -2.8453 0.8165 1.4694 C 0 0 0
- -1.6668 0.3021 -0.6707 C 0 0 0
- -2.0389 3.4387 -1.1234 C 0 0 0
- -6.6459 -1.2997 -1.0042 C 0 0 0
- -5.9206 -2.2614 1.1926 C 0 0 0
- -4.4819 -2.4182 -0.7597 C 0 0 0
- -2.7884 -1.4411 0.5933 O 0 0 0
- -0.1374 2.3604 0.1056 C 0 0 0
- -1.9271 3.4215 1.3197 O 0 0 0
- -7.8773 -1.7449 -0.7963 C 0 0 0
- -7.1443 -2.7095 1.4241 C 0 0 0
- 0.5208 1.6545 1.2630 C 0 0 0
- 0.5174 2.6822 -0.8567 O 0 0 0
- -8.2040 -2.4999 0.4233 C 0 0 0
- 1.9345 1.4788 0.9821 O 0 0 0
- -9.3242 -2.9406 0.6011 O 0 0 0
- 2.7296 0.8672 1.8824 C 0 0 0
- 4.1604 0.6894 1.5981 C 0 0 0
- 2.2633 0.4628 2.9294 O 0 0 0
- 4.8185 1.6084 0.8958 C 0 0 0
- 5.9932 1.2059 0.0419 C 0 0 0
- 4.3890 3.0517 0.9543 C 0 0 0
- 5.5041 0.8511 -1.3637 C 0 0 0
- 6.6789 0.4485 -2.2175 C 0 0 0
- 6.8579 -0.8100 -2.5339 C 0 0 0
- 8.0949 -1.5350 -2.0699 C 0 0 0
- 5.8268 -1.5329 -3.3619 C 0 0 0
- 7.8272 -2.1807 -0.7089 C 0 0 0
- 9.0642 -2.9057 -0.2449 C 0 0 0
- 9.6023 -2.6088 0.9120 C 0 0 0
- 10.9973 -2.0417 0.9709 C 0 0 0
- 8.8262 -2.8343 2.1840 C 0 0 0
- -3.6186 0.0259 0.0000 H 0 0 0
- -4.5083 2.2644 0.0000 H 0 0 0
- -5.6588 0.2379 0.0000 H 0 0 0
- -5.3703 1.6900 0.0000 H 0 0 0
- -6.5266 1.1778 0.0000 H 0 0 0
- -3.3680 3.4998 0.0000 H 0 0 0
- -4.0694 2.7646 0.0000 H 0 0 0
- -4.1144 -1.2725 0.0000 H 0 0 0
- -6.8926 0.2690 0.0000 H 0 0 0
- -7.2825 -0.6189 0.0000 H 0 0 0
- -3.2304 1.6646 0.0000 H 0 0 0
- -3.7748 0.8764 0.0000 H 0 0 0
- -2.4281 -0.2345 0.0000 H 0 0 0
- -1.1302 -0.4592 0.0000 H 0 0 0
- -0.9055 0.8387 0.0000 H 0 0 0
- -1.2457 3.9270 0.0000 H 0 0 0
- -2.5650 4.2073 0.0000 H 0 0 0
- -5.3175 -2.9712 0.0000 H 0 0 0
- -5.0839 -3.1289 0.0000 H 0 0 0
- -3.7712 -3.0202 0.0000 H 0 0 0
- -3.8799 -1.7075 0.0000 H 0 0 0
- -2.1735 -2.1406 0.0000 H 0 0 0
- -2.2844 4.2816 0.0000 H 0 0 0
- -8.5154 -1.0664 0.0000 H 0 0 0
- -7.0718 -3.6381 0.0000 H 0 0 0
- -0.3142 1.2418 0.0000 H 0 0 0
- 0.6763 0.7362 0.0000 H 0 0 0
- 4.5341 -0.1637 0.0000 H 0 0 0
- 6.6817 0.5787 0.0000 H 0 0 0
- 6.4676 2.0074 0.0000 H 0 0 0
- 5.2817 3.3174 0.0000 H 0 0 0
- 4.1233 3.9444 0.0000 H 0 0 0
- 3.4963 2.7860 0.0000 H 0 0 0
- 4.8156 1.4784 0.0000 H 0 0 0
- 5.0296 0.0496 0.0000 H 0 0 0
- 7.3967 1.0421 0.0000 H 0 0 0
- 8.9381 -1.9306 0.0000 H 0 0 0
- 8.5287 -0.7108 0.0000 H 0 0 0
- 5.2921 -0.7703 0.0000 H 0 0 0
- 5.0642 -2.0676 0.0000 H 0 0 0
- 6.3615 -2.2955 0.0000 H 0 0 0
- 6.9840 -1.7851 0.0000 H 0 0 0
- 7.3934 -3.0049 0.0000 H 0 0 0
- 9.0521 -3.8370 0.0000 H 0 0 0
- 11.3481 -2.9045 0.0000 H 0 0 0
- 11.8601 -1.6909 0.0000 H 0 0 0
- 10.6465 -1.1789 0.0000 H 0 0 0
- 8.5663 -1.9399 0.0000 H 0 0 0
- 7.9318 -3.0942 0.0000 H 0 0 0
- 9.0861 -3.7287 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 10 19 1 0
- 14 20 2 0
- 15 21 2 0
- 18 22 1 0
- 18 23 2 0
- 20 24 1 0
- 22 25 1 0
- 24 26 2 0
- 25 27 1 0
- 27 28 1 0
- 27 29 2 0
- 28 30 2 0
- 30 31 1 0
- 30 32 1 0
- 31 33 1 0
- 33 34 1 0
- 34 35 2 0
- 35 36 1 0
- 35 37 1 0
- 36 38 1 0
- 38 39 1 0
- 39 40 2 0
- 40 41 1 0
- 40 42 1 0
- 8 11 1 0
- 9 14 1 0
- 10 13 1 0
- 21 24 1 0
- 1 43 1 0
- 2 44 1 0
- 3 45 1 0
- 4 46 1 0
- 4 47 1 0
- 6 48 1 0
- 6 49 1 0
- 8 50 1 0
- 9 51 1 0
- 9 52 1 0
- 11 53 1 0
- 11 54 1 0
- 12 55 1 0
- 12 56 1 0
- 12 57 1 0
- 13 58 1 0
- 13 59 1 0
- 15 60 1 0
- 16 61 1 0
- 16 62 1 0
- 16 63 1 0
- 17 64 1 0
- 19 65 1 0
- 20 66 1 0
- 21 67 1 0
- 22 68 1 0
- 22 69 1 0
- 28 70 1 0
- 31 71 1 0
- 31 72 1 0
- 32 73 1 0
- 32 74 1 0
- 32 75 1 0
- 33 76 1 0
- 33 77 1 0
- 34 78 1 0
- 36 79 1 0
- 36 80 1 0
- 37 81 1 0
- 37 82 1 0
- 37 83 1 0
- 38 84 1 0
- 38 85 1 0
- 39 86 1 0
- 41 87 1 0
- 41 88 1 0
- 41 89 1 0
- 42 90 1 0
- 42 91 1 0
- 42 92 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20426-12-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.6600 1.0029 -0.0036 C 0 0 0
- 0.3740 0.4067 -0.0034 C 0 0 0
- 1.7687 2.2156 0.0000 O 0 0 0
- 2.8699 0.1518 -0.0021 C 0 0 0
- -0.7324 1.1849 0.0008 C 0 0 0
- 4.1377 0.7357 -0.0023 C 0 0 0
- 2.7487 -1.2391 0.0054 C 0 0 0
- -2.0648 0.5671 0.0010 C 0 0 0
- 5.2620 -0.0638 -0.0009 C 0 0 0
- 3.8808 -2.0269 0.0067 C 0 0 0
- -3.2118 1.3704 0.0053 C 0 0 0
- -2.1928 -0.8277 -0.0089 C 0 0 0
- 5.1349 -1.4415 0.0007 C 0 0 0
- -4.4582 0.7862 0.0056 C 0 0 0
- -3.4436 -1.4013 -0.0086 C 0 0 0
- -4.5795 -0.5988 0.0015 C 0 0 0
- -5.8107 -1.1697 0.0022 O 0 0 0
- 0.2811 -0.6295 0.0000 H 0 0 0
- -0.6395 2.2211 0.0000 H 0 0 0
- 4.2346 1.7715 0.0000 H 0 0 0
- 1.8065 -1.6803 0.0000 H 0 0 0
- 6.2075 0.3702 0.0000 H 0 0 0
- 3.7918 -3.0635 0.0000 H 0 0 0
- -3.1221 2.4069 0.0000 H 0 0 0
- -1.3438 -1.4289 0.0000 H 0 0 0
- 5.9858 -2.0401 0.0000 H 0 0 0
- -5.3110 1.3821 0.0000 H 0 0 0
- -3.5397 -2.4372 0.0000 H 0 0 0
- -6.7545 -1.6073 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 16 1 0
- 10 13 1 0
- 15 16 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-31335-69-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2480 0.0726 -0.0010 C 0 0 0
- -1.1420 0.2331 -0.0003 N 0 0 0
- 1.0770 1.1865 0.0002 C 0 0 0
- 0.8014 -1.2013 0.0027 C 0 0 0
- -1.9454 -0.8490 -0.0015 C 0 0 0
- -1.7046 1.5326 0.0017 O 0 0 0
- 2.4488 1.0246 -0.0006 C 0 0 0
- 2.1736 -1.3564 0.0019 C 0 0 0
- -3.1502 -0.7099 -0.0008 O 0 0 0
- 2.9966 -0.2449 -0.0026 C 0 0 0
- 0.6667 2.1390 0.0000 H 0 0 0
- 0.1847 -2.0352 0.0000 H 0 0 0
- -1.5333 -1.8007 0.0000 H 0 0 0
- -2.1167 2.4844 0.0000 H 0 0 0
- 3.0685 1.8562 0.0000 H 0 0 0
- 2.5874 -2.3074 0.0000 H 0 0 0
- 4.0269 -0.3639 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-577-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.7817 0.4844 -0.0039 C 0 0 0
- -0.4838 -0.9508 -0.0019 C 0 0 0
- 0.2545 1.4177 -0.0030 C 0 0 0
- -2.1335 0.8981 -0.0008 C 0 0 0
- 0.8444 -1.3922 -0.0001 C 0 0 0
- -1.5530 -1.8696 -0.0024 C 0 0 0
- 1.5780 0.9807 -0.0002 C 0 0 0
- -3.1301 -0.0521 0.0040 C 0 0 0
- -2.4465 2.2214 -0.0030 O 0 0 0
- 1.8820 -0.4536 -0.0001 C 0 0 0
- 1.1236 -2.7200 0.0013 O 0 0 0
- -2.8336 -1.4174 -0.0047 C 0 0 0
- 2.6489 1.9006 0.0006 C 0 0 0
- -4.4305 0.3469 0.0069 O 0 0 0
- 3.2317 -0.8609 0.0014 C 0 0 0
- 3.9264 1.4412 0.0032 C 0 0 0
- 4.2147 0.0762 0.0009 C 0 0 0
- 0.0393 2.4417 0.0000 H 0 0 0
- -1.3603 -2.8980 0.0000 H 0 0 0
- -2.6873 3.2396 0.0000 H 0 0 0
- 1.3389 -3.7439 0.0000 H 0 0 0
- -3.6184 -2.1094 0.0000 H 0 0 0
- 2.4593 2.9296 0.0000 H 0 0 0
- -5.4308 0.6538 0.0000 H 0 0 0
- 3.4745 -1.8787 0.0000 H 0 0 0
- 4.7152 2.1287 0.0000 H 0 0 0
- 5.2141 -0.2336 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 13 16 2 0
- 15 17 2 0
- 7 10 1 0
- 8 12 2 0
- 16 17 1 0
- 3 18 1 0
- 6 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-73-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.9602 0.2025 -0.0033 C 0 0 0
- -0.2054 -0.5399 -0.0028 C 0 0 0
- 0.9003 1.5838 -0.0010 C 0 0 0
- 2.2728 -0.4811 -0.0001 N 0 3 0
- -1.4326 0.0994 0.0000 C 0 0 0
- -0.3253 2.2230 0.0018 C 0 0 0
- 3.3002 0.1731 -0.0005 O 0 0 0
- 2.3257 -1.6980 0.0030 O 0 5 0
- -1.4919 1.4814 0.0023 C 0 0 0
- -2.8972 -0.8326 0.0000 Cl 0 0 0
- -0.1604 -1.5758 0.0000 H 0 0 0
- 1.7751 2.1404 0.0000 H 0 0 0
- -0.3696 3.2589 0.0000 H 0 0 0
- -2.4112 1.9610 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93673-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -2.3884 -0.1192 -0.0031 C 0 0 0
- -1.5385 -1.2250 -0.0056 C 0 0 0
- -1.9707 1.2161 -0.0020 C 0 0 0
- -3.7317 -0.5263 0.0045 C 0 0 0
- -0.1540 -0.9573 -0.0045 C 0 0 0
- -2.4044 -2.3990 -0.0075 C 0 0 0
- -0.5927 1.4692 -0.0025 C 0 0 0
- -2.9737 2.2033 0.0008 C 0 0 0
- -3.7034 -1.9879 0.0045 C 0 0 0
- -4.6886 0.4826 0.0089 C 0 0 0
- 0.2936 0.3930 -0.0035 C 0 0 0
- 0.7828 -2.0094 -0.0039 C 0 0 0
- -4.2872 1.8156 0.0038 C 0 0 0
- 1.7440 0.6426 -0.0020 C 0 0 0
- 2.1126 -1.7747 0.0010 C 0 0 0
- 2.6267 -0.4583 0.0013 C 0 0 0
- 2.2519 1.9416 -0.0042 C 0 0 0
- 4.0146 -0.2267 0.0041 C 0 0 0
- 3.6142 2.1452 -0.0034 C 0 0 0
- 4.4906 1.0692 0.0022 C 0 0 0
- 4.8810 -1.2720 0.0082 O 0 0 0
- -2.0799 -3.3969 0.0000 H 0 0 0
- -0.2328 2.4549 0.0000 H 0 0 0
- -2.7190 3.2212 0.0000 H 0 0 0
- -4.5439 -2.6161 0.0000 H 0 0 0
- -5.7095 0.2401 0.0000 H 0 0 0
- 0.4385 -3.0006 0.0000 H 0 0 0
- -5.0272 2.5596 0.0000 H 0 0 0
- 2.7778 -2.5863 0.0000 H 0 0 0
- 1.5976 2.7620 0.0000 H 0 0 0
- 3.9931 3.1237 0.0000 H 0 0 0
- 5.5255 1.2423 0.0000 H 0 0 0
- 5.5506 -2.0799 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 8 13 1 0
- 11 14 1 0
- 12 15 2 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 6 9 2 0
- 7 11 2 0
- 10 13 2 0
- 15 16 1 0
- 19 20 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.0357 0.5618 -0.0690 C 0 0 0
- -1.2677 -0.1735 -0.3950 C 0 0 0
- -0.0368 1.8591 0.4403 C 0 0 0
- 1.1875 -0.0915 -0.2821 C 0 0 0
- -1.3184 -1.6131 -0.0491 C 0 0 0
- -2.3040 0.3401 -0.9572 N 0 0 0
- 1.1793 2.4855 0.7192 C 0 0 0
- -1.1955 2.5764 0.6944 N 0 0 0
- 2.3762 0.5410 0.0006 C 0 0 0
- -1.3048 -2.0131 1.2867 C 0 0 0
- -1.3857 -2.5738 -1.0583 C 0 0 0
- -2.3590 1.7526 -1.3317 C 0 0 0
- 2.3726 1.8333 0.4982 C 0 0 0
- -2.2737 2.5905 -0.0859 C 0 0 0
- 3.6597 -0.1600 -0.2281 N 0 3 0
- -1.3527 -3.3557 1.6025 C 0 0 0
- -1.4331 -3.9129 -0.7300 C 0 0 0
- -3.2119 3.2974 0.2158 O 0 0 0
- 4.7122 0.3996 0.0220 O 0 0 0
- 3.6633 -1.2964 -0.6663 O 0 5 0
- -1.4141 -4.3038 0.5972 C 0 0 0
- 1.1867 -1.0645 0.0000 H 0 0 0
- 1.1912 3.4584 0.0000 H 0 0 0
- -0.9232 3.5105 0.0000 H 0 0 0
- -0.3318 -2.0139 0.0000 H 0 0 0
- -2.3573 -2.5226 0.0000 H 0 0 0
- -3.1738 2.2844 0.0000 H 0 0 0
- -3.2054 1.2728 0.0000 H 0 0 0
- 3.2088 2.3308 0.0000 H 0 0 0
- -0.3809 -3.4045 0.0000 H 0 0 0
- -2.4061 -3.9193 0.0000 H 0 0 0
- -1.4219 -5.2767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 14 18 2 0
- 15 19 2 0
- 15 20 1 0
- 16 21 2 0
- 9 13 2 0
- 12 14 1 0
- 17 21 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 16 30 1 0
- 17 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-868-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 15 1 V2000
- -3.5375 -0.4794 -0.6055 C 0 0 2
- -4.4459 -0.0621 0.5528 C 0 0 2
- -2.3663 -1.2614 -0.0688 C 0 0 0
- -3.0622 0.6862 -1.2819 O 0 0 0
- -5.6170 0.7198 0.0161 C 0 0 0
- -3.7085 0.7519 1.4669 O 0 0 0
- -2.5558 -2.3010 0.5476 O 0 0 0
- -1.2260 -0.8565 -0.2495 O 0 0 0
- -5.8036 1.8716 0.3838 O 0 0 0
- -6.3812 0.2027 -0.7874 O 0 0 0
- 7.7638 -0.1544 0.0014 Na 0 3 0
- 16.4013 0.4732 -0.0016 Na 0 3 0
- -3.9645 -1.2433 0.0000 H 0 0 0
- -4.8728 -0.8260 0.0000 H 0 0 0
- -2.7318 1.4965 0.0000 H 0 0 0
- -3.1210 1.4005 0.0000 H 0 0 0
- -0.4013 -0.5637 0.0000 H 0 0 0
- -7.1060 -0.2877 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 1 13 1 0
- 2 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1622-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- 0.0381 0.4995 0.2935 C 0 0 0
- 0.9903 -0.5563 0.6724 C 0 0 0
- 0.4359 1.7449 -0.1880 C 0 0 0
- -1.3307 0.2189 0.4246 C 0 0 0
- 0.6529 -1.9489 0.2999 C 0 0 0
- 2.0943 -0.3597 1.3028 N 0 0 0
- 1.7631 2.1057 -0.3613 N 0 0 0
- -0.5349 2.6919 -0.5210 C 0 0 0
- -2.2728 1.1633 0.0896 C 0 0 0
- 0.5794 -2.3172 -1.0461 C 0 0 0
- 0.4126 -2.9005 1.2908 C 0 0 0
- 2.5235 0.9778 1.7095 C 0 0 0
- 2.7529 1.8107 0.4784 C 0 0 0
- 2.1031 2.8713 -1.5631 C 0 0 0
- -1.8744 2.4039 -0.3803 C 0 0 0
- -3.7134 0.8539 0.2319 N 0 3 0
- 0.2642 -3.6199 -1.3858 C 0 0 0
- 0.8152 -1.4031 -2.0126 F 0 0 0
- 0.0991 -4.1967 0.9376 C 0 0 0
- 3.8688 2.2245 0.2448 O 0 0 0
- -4.5480 1.6900 -0.0646 O 0 0 0
- -4.0641 -0.2367 0.6455 O 0 5 0
- 0.0223 -4.5554 -0.3967 C 0 0 0
- -1.6122 -0.7169 0.0000 H 0 0 0
- -0.2643 3.6309 0.0000 H 0 0 0
- -0.5361 -2.6660 0.0000 H 0 0 0
- 3.1901 0.2632 0.0000 H 0 0 0
- 3.4725 1.2110 0.0000 H 0 0 0
- 2.9962 2.4747 0.0000 H 0 0 0
- 2.4997 3.7644 0.0000 H 0 0 0
- 1.2100 3.2679 0.0000 H 0 0 0
- -2.5304 3.1282 0.0000 H 0 0 0
- 1.2122 -3.8571 0.0000 H 0 0 0
- -0.8537 -3.9795 0.0000 H 0 0 0
- -0.2024 -5.5065 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 10 18 1 0
- 11 19 1 0
- 13 20 2 0
- 16 21 2 0
- 16 22 1 0
- 17 23 1 0
- 9 15 1 0
- 12 13 1 0
- 19 23 2 0
- 4 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
- 19 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6459-94-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 86 89 1 V2000
- -9.6330 1.4739 -0.3143 C 0 0 0
- -10.9233 2.0568 -0.3299 C 0 0 0
- -8.4771 2.3226 -0.0255 C 0 0 0
- -9.4886 0.1054 -0.5680 C 0 0 0
- -12.0380 1.2473 -0.6066 C 0 0 0
- -11.0671 3.4313 -0.0686 C 0 0 0
- -7.2226 1.8025 -0.0015 N 0 0 0
- -8.6925 3.6810 0.2248 C 0 0 0
- -10.5924 -0.6523 -0.8275 C 0 0 0
- -7.8896 -0.6346 -0.5528 S 0 0 0
- -11.8616 -0.0803 -0.8547 C 0 0 0
- -9.9831 4.2067 0.1986 C 0 0 0
- -6.4351 2.0632 0.9864 N 0 0 0
- -7.6393 4.4920 0.4960 O 0 0 0
- -7.3126 -0.3332 -1.8159 O 0 0 0
- -7.3243 -0.3065 0.7090 O 0 0 0
- -8.0867 -2.1437 -0.5377 O 0 0 0
- -13.2621 -1.0919 -1.2012 S 0 0 0
- -5.1259 1.6818 0.9343 C 0 0 0
- -13.4320 -1.0461 -2.6113 O 0 0 0
- -13.0846 -2.2736 -0.4322 O 0 0 0
- -14.4822 -0.3962 -0.6149 O 0 0 0
- -4.2695 1.9696 2.0030 C 0 0 0
- -4.6397 0.9975 -0.1853 C 0 0 0
- -2.9499 1.5832 1.9462 C 0 0 0
- -4.7909 2.7014 3.2128 C 0 0 0
- -3.3298 0.6154 -0.2386 C 0 0 0
- -2.4705 0.9058 0.8232 C 0 0 0
- -1.0507 0.4894 0.7608 C 0 0 0
- -0.7111 -0.7521 0.2193 C 0 0 0
- -0.0524 1.3410 1.2383 C 0 0 0
- 0.6088 -1.1378 0.1619 C 0 0 0
- 1.2581 0.9610 1.1827 C 0 0 0
- 1.6054 -0.2838 0.6467 C 0 0 0
- 0.9798 -2.4766 -0.4222 C 0 0 0
- 2.9158 -0.6627 0.5921 N 0 0 0
- 3.8342 0.1252 1.0393 N 0 0 0
- 5.1442 -0.2535 0.9847 C 0 0 0
- 6.1420 0.5993 1.4690 C 0 0 0
- 5.4931 -1.4978 0.4495 C 0 0 0
- 7.4623 0.2127 1.4117 C 0 0 0
- 6.8165 -1.8754 0.3966 C 0 0 0
- 7.8045 -1.0225 0.8737 C 0 0 0
- 9.1079 -1.3991 0.8189 O 0 0 0
- 9.1586 -2.6933 0.0196 S 0 0 0
- 10.8490 -3.1783 -0.0907 C 0 0 0
- 8.5278 -3.6738 0.8319 O 0 0 0
- 8.7696 -2.3461 -1.3023 O 0 0 0
- 11.3678 -4.0861 0.8132 C 0 0 0
- 11.6548 -2.6551 -1.0849 C 0 0 0
- 12.6941 -4.4667 0.7267 C 0 0 0
- 12.9807 -3.0356 -1.1714 C 0 0 0
- 13.5012 -3.9394 -0.2637 C 0 0 0
- 14.9469 -4.3542 -0.3580 C 0 0 0
- 22.8398 3.6228 -1.2574 Na 0 3 0
- 29.8197 8.7259 -1.7466 Na 0 3 0
- -12.9611 1.6434 0.0000 H 0 0 0
- -11.9831 3.8435 0.0000 H 0 0 0
- -10.5030 -1.6528 0.0000 H 0 0 0
- -10.1004 5.2043 0.0000 H 0 0 0
- -6.8435 5.1048 0.0000 H 0 0 0
- -5.2220 0.1791 0.0000 H 0 0 0
- -2.3664 2.4008 0.0000 H 0 0 0
- -3.9729 3.2843 0.0000 H 0 0 0
- -5.3738 3.5194 0.0000 H 0 0 0
- -5.6089 2.1185 0.0000 H 0 0 0
- -3.3087 -0.3888 0.0000 H 0 0 0
- -1.4275 -1.4562 0.0000 H 0 0 0
- -0.2638 2.3230 0.0000 H 0 0 0
- 1.9719 1.6676 0.0000 H 0 0 0
- 0.0118 -2.7448 0.0000 H 0 0 0
- 1.2480 -3.4446 0.0000 H 0 0 0
- 1.9478 -2.2084 0.0000 H 0 0 0
- 5.9315 1.5814 0.0000 H 0 0 0
- 4.7812 -2.2064 0.0000 H 0 0 0
- 8.1777 0.9178 0.0000 H 0 0 0
- 7.0329 -2.8563 0.0000 H 0 0 0
- 10.7476 -4.8762 0.0000 H 0 0 0
- 11.5065 -1.6617 0.0000 H 0 0 0
- 12.8438 -5.4599 0.0000 H 0 0 0
- 13.5996 -2.2445 0.0000 H 0 0 0
- 14.6699 -5.3197 0.0000 H 0 0 0
- 15.9124 -4.6312 0.0000 H 0 0 0
- 15.2239 -3.3887 0.0000 H 0 0 0
- -8.2168 -3.1397 0.0000 H 0 0 0
- -15.3548 0.1013 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 10 15 2 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 13 19 1 0
- 18 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 19 24 1 0
- 23 25 1 0
- 23 26 1 0
- 24 27 2 0
- 25 28 2 0
- 28 29 1 0
- 29 30 2 0
- 29 31 1 0
- 30 32 1 0
- 31 33 2 0
- 32 34 2 0
- 32 35 1 0
- 34 36 1 0
- 36 37 2 0
- 37 38 1 0
- 38 39 1 0
- 38 40 2 0
- 39 41 2 0
- 40 42 1 0
- 41 43 1 0
- 43 44 1 0
- 44 45 1 0
- 45 46 1 0
- 45 47 2 0
- 45 48 2 0
- 46 49 2 0
- 46 50 1 0
- 49 51 1 0
- 50 52 2 0
- 51 53 2 0
- 53 54 1 0
- 8 12 2 0
- 9 11 1 0
- 27 28 1 0
- 33 34 1 0
- 42 43 2 0
- 52 53 1 0
- 5 57 1 0
- 6 58 1 0
- 9 59 1 0
- 12 60 1 0
- 14 61 1 0
- 24 62 1 0
- 25 63 1 0
- 26 64 1 0
- 26 65 1 0
- 26 66 1 0
- 27 67 1 0
- 30 68 1 0
- 31 69 1 0
- 33 70 1 0
- 35 71 1 0
- 35 72 1 0
- 35 73 1 0
- 39 74 1 0
- 40 75 1 0
- 41 76 1 0
- 42 77 1 0
- 49 78 1 0
- 50 79 1 0
- 51 80 1 0
- 52 81 1 0
- 54 82 1 0
- 54 83 1 0
- 54 84 1 0
- 17 85 1 0
- 22 86 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5466-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.6373 0.5222 0.0031 C 0 0 0
- -1.0569 -0.8240 0.0011 C 0 0 0
- 0.7163 0.8221 0.0028 C 0 0 0
- -1.8722 1.3320 -0.0007 C 0 0 0
- -2.5332 -0.7886 0.0021 C 0 0 0
- -0.1133 -1.8398 -0.0007 C 0 0 0
- 1.6474 -0.2042 0.0005 C 0 0 0
- -2.9317 0.4989 -0.0046 O 0 0 0
- -1.9243 2.5449 -0.0004 O 0 0 0
- -3.2653 -1.7571 0.0010 O 0 0 0
- 1.2359 -1.5242 -0.0007 C 0 0 0
- 3.0927 0.1150 -0.0003 N 0 3 0
- 3.9148 -0.7837 -0.0023 O 0 0 0
- 3.4600 1.2763 0.0009 O 0 5 0
- 1.0313 1.8124 0.0000 H 0 0 0
- -0.4167 -2.8338 0.0000 H 0 0 0
- 1.9437 -2.2852 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 5 8 1 0
- 7 11 1 0
- 3 15 1 0
- 6 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3680-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.3683 -0.0045 -0.0645 S 0 0 0
- -1.1716 -0.2646 0.7513 C 0 0 0
- 1.2138 1.1814 1.0169 C 0 0 0
- 0.9749 -1.2884 -0.0092 O 0 0 0
- -0.0229 0.5935 -1.2928 O 0 0 0
- -2.2938 0.0210 0.1387 C 0 0 0
- -1.2152 -1.3287 0.0000 H 0 0 0
- 2.0810 0.5631 0.0000 H 0 0 0
- 1.8321 2.0486 0.0000 H 0 0 0
- 0.3466 1.7997 0.0000 H 0 0 0
- -2.5824 1.0461 0.0000 H 0 0 0
- -3.0373 -0.7415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.2772 0.0574 -0.2254 C 0 0 0
- 0.0579 -0.4059 0.5744 C 0 0 0
- 2.0491 1.1032 0.5816 C 0 0 0
- 2.1859 -1.1403 -0.5094 C 0 0 0
- -1.2039 -0.2334 -0.2736 C 0 0 0
- -2.3811 -0.9244 0.4174 C 0 0 0
- -1.4901 1.1585 -0.4240 O 0 0 0
- 0.6722 0.8549 0.0000 H 0 0 0
- -0.4160 -1.2876 0.0000 H 0 0 0
- 0.7182 -1.1582 0.0000 H 0 0 0
- 2.8545 0.5087 0.0000 H 0 0 0
- 2.6436 1.9086 0.0000 H 0 0 0
- 1.2437 1.6977 0.0000 H 0 0 0
- 1.3884 -1.7453 0.0000 H 0 0 0
- 2.7909 -1.9378 0.0000 H 0 0 0
- 2.9834 -0.5353 0.0000 H 0 0 0
- -1.0075 -1.2150 0.0000 H 0 0 0
- -2.8878 -0.0611 0.0000 H 0 0 0
- -3.2444 -1.4311 0.0000 H 0 0 0
- -1.8744 -1.7877 0.0000 H 0 0 0
- -1.6917 2.1390 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139953-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 3.6945 0.5541 -0.0006 C 0 0 0
- 3.2520 -0.7674 0.0010 C 0 0 0
- 5.1637 0.4995 -0.0014 C 0 0 0
- 2.8089 1.5633 0.0037 N 0 0 0
- 4.3483 -1.6028 0.0012 N 0 0 0
- 1.8576 -1.0128 0.0016 C 0 0 0
- 5.5108 -0.8623 -0.0002 C 0 0 0
- 6.1624 1.4739 -0.0030 C 0 0 0
- 1.5414 1.3468 0.0094 N 0 0 0
- 1.0205 0.0481 0.0006 N 0 0 0
- 1.4230 -2.1524 0.0025 O 0 0 0
- 6.8572 -1.2202 -0.0009 C 0 0 0
- 7.4770 1.1007 -0.0033 C 0 0 0
- -0.3661 -0.1520 0.0006 N 0 0 0
- 7.8269 -0.2424 -0.0029 C 0 0 0
- -1.1700 0.8692 -0.0003 C 0 0 0
- -2.6281 0.6588 -0.0003 C 0 0 0
- -3.4934 1.7576 -0.0013 C 0 0 0
- -3.1475 -0.6399 -0.0050 C 0 0 0
- -4.8553 1.5576 -0.0012 C 0 0 0
- -4.4989 -0.8374 -0.0049 C 0 0 0
- -5.3682 0.2573 -0.0001 C 0 0 0
- -6.8284 0.0400 0.0000 C 0 0 0
- -7.3231 -1.2133 0.0011 O 0 0 0
- -7.5841 0.9912 -0.0009 O 0 0 0
- -8.7592 -1.4270 0.0012 C 0 0 0
- 4.3044 -2.6467 0.0000 H 0 0 0
- 5.9057 2.4867 0.0000 H 0 0 0
- 7.1307 -2.2286 0.0000 H 0 0 0
- 8.2238 1.8315 0.0000 H 0 0 0
- 8.8358 -0.5142 0.0000 H 0 0 0
- -0.7821 1.8394 0.0000 H 0 0 0
- -3.1068 2.7283 0.0000 H 0 0 0
- -2.5005 -1.4604 0.0000 H 0 0 0
- -5.5045 2.3763 0.0000 H 0 0 0
- -4.8838 -1.8088 0.0000 H 0 0 0
- -8.9130 -0.3935 0.0000 H 0 0 0
- -9.7927 -1.5808 0.0000 H 0 0 0
- -8.6054 -2.4605 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 24 26 1 0
- 5 7 1 0
- 9 10 1 0
- 13 15 1 0
- 21 22 1 0
- 5 27 1 0
- 8 28 1 0
- 12 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 26 37 1 0
- 26 38 1 0
- 26 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-55-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.5631 -0.3557 -0.0029 C 0 0 0
- -1.6090 -1.2856 -0.0011 C 0 0 0
- -0.8540 1.0129 -0.0021 C 0 0 0
- 0.8338 -0.8144 0.0005 C 0 0 0
- -2.9158 -0.8473 0.0015 C 0 0 0
- -2.1667 1.4348 0.0005 C 0 0 0
- 1.8425 0.0882 -0.0012 C 0 0 0
- -3.1952 0.5087 0.0023 C 0 0 0
- 3.1823 -0.3518 0.0020 C 0 0 0
- 4.0873 0.4580 0.0004 O 0 0 0
- -1.4011 -2.3028 0.0000 H 0 0 0
- -0.0836 1.7088 0.0000 H 0 0 0
- 1.0465 -1.8306 0.0000 H 0 0 0
- -3.6927 -1.5359 0.0000 H 0 0 0
- -2.3842 2.4500 0.0000 H 0 0 0
- 1.6298 1.1044 0.0000 H 0 0 0
- -4.1816 0.8326 0.0000 H 0 0 0
- 3.3950 -1.3680 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 9 10 2 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86803-19-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.9266 -0.5467 -0.0455 C 0 0 0
- -2.1585 0.1313 -0.0533 C 0 0 0
- 0.2654 0.1669 -0.2632 C 0 0 0
- -0.8938 -1.9900 0.1953 C 0 0 0
- -2.1824 1.5264 -0.2806 C 0 0 0
- -3.3604 -0.5790 0.1642 C 0 0 0
- 1.5286 -0.5684 -0.2487 C 0 0 0
- 0.2164 1.5556 -0.4870 C 0 0 0
- 0.3195 -2.6577 0.2025 C 0 0 0
- -2.1555 -2.6952 0.4236 C 0 0 0
- -0.9685 2.2163 -0.4967 C 0 0 0
- -3.4150 2.1911 -0.2861 C 0 0 0
- -3.3253 -2.0205 0.3983 C 0 0 0
- -4.5684 0.1208 0.1509 C 0 0 0
- 1.5224 -1.9670 -0.0181 C 0 0 0
- 2.7451 0.0919 -0.4608 C 0 0 0
- -4.5806 1.4862 -0.0721 C 0 0 0
- 2.7484 -2.6617 -0.0081 C 0 0 0
- 3.9116 -0.6131 -0.4440 C 0 0 0
- 2.7646 1.5784 -0.7074 C 0 0 0
- 3.9111 -1.9874 -0.2179 C 0 0 0
- 2.9142 2.4467 0.8656 Cl 0 0 0
- 1.1074 2.1003 0.0000 H 0 0 0
- 0.3290 -3.7020 0.0000 H 0 0 0
- -2.1625 -3.7395 0.0000 H 0 0 0
- -0.9728 3.2606 0.0000 H 0 0 0
- -3.4408 3.2351 0.0000 H 0 0 0
- -4.2232 -2.5538 0.0000 H 0 0 0
- -5.4709 -0.4047 0.0000 H 0 0 0
- -5.4926 1.9951 0.0000 H 0 0 0
- 2.7536 -3.7060 0.0000 H 0 0 0
- 4.8213 -0.1002 0.0000 H 0 0 0
- 1.9280 2.2035 0.0000 H 0 0 0
- 1.8279 1.1167 0.0000 H 0 0 0
- 4.8159 -2.5088 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 20 22 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 19 21 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-96-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 2.4488 -0.0020 -0.3321 C 0 0 0
- 1.1786 -0.6992 0.1593 C 0 0 0
- 2.4701 1.4395 0.1803 C 0 0 0
- 3.6763 -0.7485 0.1941 C 0 0 0
- 0.0000 0.0176 -0.3459 N 0 0 0
- -1.1786 -0.6992 0.1593 C 0 0 0
- -2.4488 -0.0020 -0.3321 C 0 0 0
- -3.6763 -0.7485 0.1941 C 0 0 0
- -2.4701 1.4395 0.1803 C 0 0 0
- 3.3935 0.5200 0.0000 H 0 0 0
- 0.4664 -1.5103 0.0000 H 0 0 0
- 1.8540 -1.5411 0.0000 H 0 0 0
- 3.5494 1.4236 0.0000 H 0 0 0
- 2.4860 2.5188 0.0000 H 0 0 0
- 1.3908 1.4554 0.0000 H 0 0 0
- 3.1155 -1.6707 0.0000 H 0 0 0
- 4.5985 -1.3093 0.0000 H 0 0 0
- 4.2371 0.1737 0.0000 H 0 0 0
- 0.0000 1.0970 0.0000 H 0 0 0
- -1.8540 -1.5411 0.0000 H 0 0 0
- -0.4664 -1.5103 0.0000 H 0 0 0
- -3.3935 0.5200 0.0000 H 0 0 0
- -4.2371 0.1737 0.0000 H 0 0 0
- -4.5985 -1.3093 0.0000 H 0 0 0
- -3.1155 -1.6707 0.0000 H 0 0 0
- -1.3908 1.4554 0.0000 H 0 0 0
- -2.4860 2.5188 0.0000 H 0 0 0
- -3.5494 1.4236 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2052-07-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.7256 -1.7071 0.1217 Br 0 0 0
- -1.2728 0.0993 0.0058 C 0 0 0
- -0.3202 1.1142 -0.0710 C 0 0 0
- -2.6174 0.4157 -0.0086 C 0 0 0
- 1.1256 0.7806 -0.0627 C 0 0 0
- -0.7309 2.4430 -0.1561 C 0 0 0
- -3.0184 1.7363 -0.0932 C 0 0 0
- 1.9523 1.2787 0.9421 C 0 0 0
- 1.6605 -0.0367 -1.0567 C 0 0 0
- -2.0768 2.7476 -0.1639 C 0 0 0
- 3.2965 0.9648 0.9452 C 0 0 0
- 3.0058 -0.3440 -1.0439 C 0 0 0
- 3.8230 0.1576 -0.0467 C 0 0 0
- -3.3257 -0.3392 0.0000 H 0 0 0
- -0.0277 3.2027 0.0000 H 0 0 0
- -4.0269 1.9697 0.0000 H 0 0 0
- 1.7910 2.3012 0.0000 H 0 0 0
- 1.0692 -0.8864 0.0000 H 0 0 0
- -2.3820 3.7368 0.0000 H 0 0 0
- 3.8905 1.8126 0.0000 H 0 0 0
- 3.1738 -1.3655 0.0000 H 0 0 0
- 4.8330 -0.0695 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 8 1 0
- 12 9 2 0
- 13 11 2 0
- 7 10 1 0
- 12 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-141-86-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.0001 -0.9348 0.0000 N 0 0 0
- -1.1560 -0.2878 -0.0001 C 0 0 0
- 1.1561 -0.2876 -0.0001 C 0 0 0
- -1.1911 1.1018 0.0001 C 0 0 0
- -2.3461 -1.0058 0.0001 N 0 0 0
- 1.1911 1.1015 0.0001 C 0 0 0
- 2.3462 -1.0057 0.0001 N 0 0 0
- -0.0001 1.8090 -0.0001 C 0 0 0
- -2.1019 1.6051 0.0000 H 0 0 0
- -3.2572 -0.5029 0.0000 H 0 0 0
- -2.3261 -2.0462 0.0000 H 0 0 0
- 2.1019 1.6048 0.0000 H 0 0 0
- 2.3261 -2.0461 0.0000 H 0 0 0
- 3.2573 -0.5029 0.0000 H 0 0 0
- 0.0000 2.8496 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37962-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -4.1403 -0.1207 -0.0042 C 0 0 0
- -5.3264 -0.7723 -0.0057 O 0 0 0
- -4.4463 1.3184 0.0045 C 0 0 0
- -2.8832 -0.6964 -0.0046 C 0 0 0
- -6.3230 0.1174 0.0012 C 0 0 0
- -5.8097 1.4112 0.0076 C 0 0 0
- -1.7931 0.0782 -0.0030 N 0 0 0
- -7.7642 -0.2234 0.0019 N 0 3 0
- -0.6202 -0.4590 -0.0034 N 0 0 0
- -8.5996 0.6630 0.0085 O 0 0 0
- -8.1711 -1.5796 -0.0050 O 0 5 0
- 0.4784 0.3216 -0.0017 C 0 0 0
- 1.7612 -0.2658 -0.0022 C 0 0 0
- 0.3640 1.5343 0.0002 O 0 0 0
- 2.8736 0.5245 -0.0004 C 0 0 0
- 4.1548 -0.0622 -0.0009 C 0 0 0
- 5.3328 0.5974 0.0006 O 0 0 0
- 4.4326 -1.4227 0.0030 C 0 0 0
- 6.3385 -0.2873 -0.0004 C 0 0 0
- 5.8253 -1.5434 0.0008 C 0 0 0
- 7.7796 0.0513 0.0007 N 0 3 0
- 8.6137 -0.8363 -0.0004 O 0 0 0
- 8.1884 1.4070 0.0031 O 0 5 0
- -3.7751 2.0920 0.0000 H 0 0 0
- -2.7869 -1.7160 0.0000 H 0 0 0
- -6.3560 2.2775 0.0000 H 0 0 0
- -0.5239 -1.4786 0.0000 H 0 0 0
- 1.8575 -1.2854 0.0000 H 0 0 0
- 2.7773 1.5441 0.0000 H 0 0 0
- 3.7512 -2.1873 0.0000 H 0 0 0
- 6.3591 -2.4175 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 21 22 2 0
- 21 23 1 0
- 5 6 2 0
- 19 20 2 0
- 3 24 1 0
- 4 25 1 0
- 6 26 1 0
- 9 27 1 0
- 13 28 1 0
- 15 29 1 0
- 18 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-771-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.2491 0.2401 0.1296 C 0 0 0
- -1.1684 -0.7686 -0.0500 C 0 0 0
- 1.2291 -0.0224 0.2529 C 0 0 0
- -0.6807 1.5581 0.2087 C 0 0 0
- -0.7723 -2.2186 -0.1492 C 0 0 0
- -2.5190 -0.4591 -0.1482 C 0 0 0
- 1.5729 -1.4152 -0.2711 C 0 0 0
- 1.9510 0.9591 -0.4938 O 0 0 0
- -2.0224 1.8633 0.1126 C 0 0 0
- 0.6377 -2.4286 0.3992 C 0 0 0
- -2.9455 0.8504 -0.0707 C 0 0 0
- 3.2416 1.1431 0.1833 O 0 0 0
- 2.2435 -0.2239 0.0000 H 0 0 0
- 0.0159 2.3225 0.0000 H 0 0 0
- -1.7980 -2.3511 0.0000 H 0 0 0
- -0.7823 -3.2528 0.0000 H 0 0 0
- -3.2168 -1.2224 0.0000 H 0 0 0
- 2.1831 -2.2503 0.0000 H 0 0 0
- 2.5102 -0.9780 0.0000 H 0 0 0
- -2.3320 2.8501 0.0000 H 0 0 0
- 0.2860 -3.4012 0.0000 H 0 0 0
- 1.5215 -2.9658 0.0000 H 0 0 0
- -3.9566 1.0681 0.0000 H 0 0 0
- 4.2655 1.2891 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 7 10 1 0
- 9 11 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97919-22-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -2.6714 1.4095 -0.0356 C 0 0 0
- -3.2669 0.1244 -0.0139 C 0 0 0
- -1.3377 1.5213 -0.0789 N 0 0 0
- -3.4923 2.5495 -0.0053 C 0 0 0
- -2.4918 -0.9671 -0.0369 N 0 0 0
- -4.6683 0.0160 0.0321 C 0 0 0
- -0.5920 0.4331 -0.1009 C 0 0 0
- -4.8453 2.4069 0.0443 C 0 0 0
- -1.1877 -0.8407 -0.0793 C 0 0 0
- -5.4325 1.1438 0.0552 C 0 0 0
- -5.4213 -1.5479 0.0589 Cl 0 0 0
- 0.7894 0.5462 -0.1458 N 0 0 0
- 1.7356 -0.8070 -0.0189 S 0 0 0
- 3.4151 -0.2749 0.0070 C 0 0 0
- 1.4787 -1.3378 1.2739 O 0 0 0
- 1.5718 -1.5088 -1.2436 O 0 0 0
- 4.0589 -0.0811 1.2157 C 0 0 0
- 4.0882 -0.0574 -1.1810 C 0 0 0
- 5.3750 0.3358 1.2397 C 0 0 0
- 5.4048 0.3597 -1.1643 C 0 0 0
- 6.0526 0.5607 0.0478 C 0 0 0
- 7.3838 0.9830 0.0684 N 0 0 0
- -3.0721 3.4883 0.0000 H 0 0 0
- -5.4432 3.2438 0.0000 H 0 0 0
- -0.5943 -1.6808 0.0000 H 0 0 0
- -6.4578 1.0614 0.0000 H 0 0 0
- 1.2270 1.4771 0.0000 H 0 0 0
- 4.3625 -1.0639 0.0000 H 0 0 0
- 3.7747 0.9223 0.0000 H 0 0 0
- 5.6923 -0.6426 0.0000 H 0 0 0
- 5.0971 1.3412 0.0000 H 0 0 0
- 8.1434 0.2894 0.0000 H 0 0 0
- 7.6047 1.9876 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 13 16 2 0
- 14 17 1 0
- 14 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 21 22 1 0
- 7 9 1 0
- 8 10 1 0
- 20 21 2 0
- 4 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 22 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.9824 0.6813 -0.0021 C 0 0 0
- -0.9769 -0.7084 -0.0020 C 0 0 0
- 0.3036 1.3806 -0.0010 C 0 0 0
- -2.2767 1.0810 0.0021 N 0 0 0
- 0.2271 -1.3745 -0.0009 N 0 0 0
- -2.2792 -1.0973 -0.0026 N 0 0 0
- 1.4367 0.6455 0.0001 N 0 0 0
- 0.3507 2.5970 -0.0014 O 0 0 0
- -3.0464 0.0312 0.0047 C 0 0 0
- 1.3886 -0.6970 0.0006 C 0 0 0
- 0.2437 -2.8394 -0.0007 C 0 0 0
- 2.7363 1.3217 0.0007 C 0 0 0
- 2.4320 -1.3215 0.0023 O 0 0 0
- -2.6203 -2.0561 0.0000 H 0 0 0
- -4.0639 0.0493 0.0000 H 0 0 0
- -0.7739 -2.8509 0.0000 H 0 0 0
- 0.2552 -3.8570 0.0000 H 0 0 0
- 1.2613 -2.8279 0.0000 H 0 0 0
- 3.2060 0.4189 0.0000 H 0 0 0
- 3.6391 1.7914 0.0000 H 0 0 0
- 2.2666 2.2245 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 10 13 2 0
- 6 9 1 0
- 7 10 1 0
- 6 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-30747-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.5434 -0.0141 -0.0027 C 0 0 0
- -0.6183 -1.4264 -0.0009 C 0 0 0
- 0.7497 0.5564 -0.0021 C 0 0 0
- -1.8496 0.6183 0.0009 C 0 0 0
- 0.5115 -2.2166 0.0009 C 0 0 0
- -2.3648 -1.7265 -0.0017 S 0 0 0
- 1.8517 -0.2402 0.0001 C 0 0 0
- -2.9231 -0.1120 0.0052 N 0 0 0
- -1.9766 2.3496 0.0000 Cl 0 0 0
- 1.7475 -1.6261 0.0010 C 0 0 0
- 3.1941 0.3835 0.0002 N 0 3 0
- 4.1908 -0.3166 0.0022 O 0 0 0
- 3.3020 1.5967 -0.0016 O 0 5 0
- 0.8601 1.6018 0.0000 H 0 0 0
- 0.4251 -3.2642 0.0000 H 0 0 0
- 2.6150 -2.2197 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 8 1 0
- 7 10 1 0
- 3 14 1 0
- 5 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.6580 -0.5641 0.0000 C 0 0 0
- -0.6843 -0.5730 0.0000 O 0 0 0
- 1.2552 0.4862 0.0000 O 0 0 0
- -1.4186 0.6797 0.0000 C 0 0 0
- 1.1671 -1.4326 0.0000 H 0 0 0
- -0.5501 1.1888 0.0000 H 0 0 0
- -1.9277 1.5482 0.0000 H 0 0 0
- -2.2871 0.1706 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 1 5 1 0
- 4 6 1 0
- 4 7 1 0
- 4 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-619-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.2955 0.1968 -0.0434 C 0 0 0
- 0.0949 -0.3571 -0.4458 C 0 0 0
- 1.3631 1.5388 0.2823 C 0 0 0
- 2.5077 -0.6481 0.0448 N 0 3 0
- -1.0386 0.4308 -0.5227 C 0 0 0
- 0.2299 2.3264 0.2054 C 0 0 0
- 3.5657 -0.1600 0.3995 O 0 0 0
- 2.4471 -1.8314 -0.2372 O 0 5 0
- -0.9711 1.7724 -0.1971 C 0 0 0
- -2.3476 -0.1730 -0.9620 C 0 0 0
- -3.2394 -0.7881 0.4793 Cl 0 0 0
- 0.0068 -1.3607 0.0000 H 0 0 0
- 2.2674 1.9829 0.0000 H 0 0 0
- 0.3180 3.3300 0.0000 H 0 0 0
- -1.8058 2.3366 0.0000 H 0 0 0
- -2.3131 0.8339 0.0000 H 0 0 0
- -3.2314 0.3105 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-546-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.5568 0.0110 -0.0013 C 0 0 0
- -0.5983 0.7054 0.0009 N 0 0 0
- 1.8750 0.7414 0.0001 C 0 0 0
- 0.5354 -1.2016 0.0005 O 0 0 0
- -1.8369 0.0191 -0.0004 O 0 0 0
- -0.5800 1.7417 0.0000 H 0 0 0
- 2.3773 -0.1652 0.0000 H 0 0 0
- 2.7816 1.2437 0.0000 H 0 0 0
- 1.3727 1.6480 0.0000 H 0 0 0
- -2.7435 -0.4832 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112022-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -0.6535 0.6411 0.0746 C 0 0 0
- -1.7049 1.5763 -0.0293 C 0 0 0
- 0.6812 1.0291 -0.0012 C 0 0 0
- -1.1365 -1.0535 0.2941 S 0 0 0
- -3.1034 1.1797 0.0865 C 0 0 0
- -1.3649 2.9217 -0.2427 C 0 0 0
- 0.9811 2.3793 -0.2097 C 0 0 0
- 1.7604 0.0337 0.1356 C 0 0 0
- -2.8764 -1.3191 0.0573 C 0 0 0
- -3.6727 -0.1575 -0.0319 C 0 0 0
- -3.8950 2.0777 0.3106 O 0 0 0
- -0.0441 3.3000 -0.3304 C 0 0 0
- 3.0488 0.4220 0.0605 N 0 0 0
- 1.4879 -1.1375 0.3163 O 0 0 0
- -3.4217 -2.5814 -0.0363 C 0 0 0
- -5.0515 -0.3264 -0.2377 C 0 0 0
- 4.1210 -0.5669 0.1964 C 0 0 0
- -4.7841 -2.7117 -0.2326 C 0 0 0
- -5.5808 -1.5799 -0.3334 C 0 0 0
- 5.4770 0.1309 0.0735 C 0 0 0
- 6.5522 -0.8608 0.2098 N 0 0 0
- 6.4584 -1.7482 -0.9571 C 0 0 0
- 7.8198 -0.1292 0.0830 C 0 0 0
- -2.1131 3.6467 0.0000 H 0 0 0
- 1.9732 2.6974 0.0000 H 0 0 0
- 0.1898 4.3152 0.0000 H 0 0 0
- 3.2824 1.4373 0.0000 H 0 0 0
- -2.8086 -3.4237 0.0000 H 0 0 0
- -5.6792 0.5051 0.0000 H 0 0 0
- 3.3302 -1.2452 0.0000 H 0 0 0
- 4.7025 -1.4314 0.0000 H 0 0 0
- -5.2194 -3.6582 0.0000 H 0 0 0
- -6.6167 -1.6911 0.0000 H 0 0 0
- 6.2678 0.8092 0.0000 H 0 0 0
- 4.8956 0.9954 0.0000 H 0 0 0
- 5.4223 -1.6387 0.0000 H 0 0 0
- 6.3489 -2.7843 0.0000 H 0 0 0
- 7.4945 -1.8577 0.0000 H 0 0 0
- 8.3406 -1.0315 0.0000 H 0 0 0
- 8.7221 0.3916 0.0000 H 0 0 0
- 7.2990 0.7731 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 7 12 1 0
- 9 10 2 0
- 18 19 1 0
- 6 24 1 0
- 7 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-144-62-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.7412 -0.0942 -0.0016 C 0 0 0
- -0.7412 0.0942 -0.0003 C 0 0 0
- 1.5554 0.9769 -0.0008 O 0 0 0
- 1.2102 -1.2123 0.0018 O 0 0 0
- -1.5554 -0.9769 -0.0010 O 0 0 0
- -1.2102 1.2123 0.0015 O 0 0 0
- 2.1660 1.7802 0.0000 H 0 0 0
- -2.1660 -1.7802 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142713-63-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.6397 -1.1459 0.0102 C 0 0 0
- 0.3429 -1.8977 -0.1447 C 0 0 0
- 2.1543 -0.9103 1.2714 C 0 0 0
- 2.3159 -0.6979 -1.1098 C 0 0 0
- -0.7749 -0.9507 -0.1327 N 0 0 0
- 3.3434 -0.2217 1.4161 C 0 0 0
- 3.5050 -0.0091 -0.9706 C 0 0 0
- -2.0396 -1.3995 -0.2579 C 0 0 0
- 4.0209 0.2333 0.2945 C 0 0 0
- -3.1894 -0.4254 -0.2455 C 0 0 0
- -2.2523 -2.5872 -0.3804 O 0 0 0
- 5.1905 0.9112 0.4342 O 0 0 0
- -4.1249 -0.7554 0.9193 C 0 0 0
- -2.4975 1.4025 -0.0326 Br 0 0 0
- 5.6366 1.2408 -0.8828 C 0 0 0
- -0.3910 -2.5865 0.0000 H 0 0 0
- 0.9436 -2.7053 0.0000 H 0 0 0
- 2.6165 -1.8044 0.0000 H 0 0 0
- 1.7855 0.1575 0.0000 H 0 0 0
- -0.5938 0.0393 0.0000 H 0 0 0
- 3.8765 -1.0754 0.0000 H 0 0 0
- 3.0383 0.8826 0.0000 H 0 0 0
- -3.8930 0.2943 0.0000 H 0 0 0
- -4.4597 0.1938 0.0000 H 0 0 0
- -5.0741 -1.0902 0.0000 H 0 0 0
- -3.7901 -1.7046 0.0000 H 0 0 0
- 6.2347 0.4313 0.0000 H 0 0 0
- 6.4461 1.8389 0.0000 H 0 0 0
- 5.0385 2.0503 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 12 15 1 0
- 7 9 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120209-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.0400 0.8819 -0.0028 C 0 0 0
- -1.2366 -0.5729 -0.0011 C 0 0 0
- 0.1874 1.3904 -0.0027 N 0 0 0
- -2.1752 1.7224 0.0015 C 0 0 0
- -0.1873 -1.3904 0.0005 N 0 0 0
- -2.5509 -1.0797 -0.0007 C 0 0 0
- 1.2366 0.5731 -0.0011 C 0 0 0
- -3.4155 1.1754 0.0070 C 0 0 0
- 1.0400 -0.8820 0.0005 C 0 0 0
- -3.6063 -0.2145 -0.0019 C 0 0 0
- 2.5510 1.0798 -0.0010 C 0 0 0
- 2.1752 -1.7225 0.0017 C 0 0 0
- -4.9037 -0.7235 -0.0015 N 0 0 0
- 3.6062 0.2145 0.0006 C 0 0 0
- 3.4155 -1.1755 0.0013 C 0 0 0
- 4.9037 0.7234 0.0003 N 0 0 0
- -2.0594 2.7612 0.0000 H 0 0 0
- -2.7167 -2.1117 0.0000 H 0 0 0
- -4.2502 1.8046 0.0000 H 0 0 0
- 2.7170 2.1118 0.0000 H 0 0 0
- 2.0594 -2.7613 0.0000 H 0 0 0
- -5.7208 -0.0717 0.0000 H 0 0 0
- -5.0596 -1.7571 0.0000 H 0 0 0
- 4.2502 -1.8047 0.0000 H 0 0 0
- 5.7208 0.0715 0.0000 H 0 0 0
- 5.0597 1.7570 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 2 0
- 14 16 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-72-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.7650 0.0000 0.0000 C 0 0 0
- -0.7650 0.0000 0.0000 C 0 0 0
- 1.3660 -0.0161 1.6998 Cl 0 0 0
- 1.3660 -1.4640 -0.8639 Cl 0 0 0
- 1.3660 1.4801 -0.8360 Cl 0 0 0
- -1.3660 -1.4801 0.8360 Cl 0 0 0
- -1.3660 1.4640 0.8639 Cl 0 0 0
- -1.3660 0.0161 -1.6998 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5447-11-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- 0.7797 1.2448 -0.4684 O 0 0 0
- -0.1704 0.3680 0.1403 C 0 0 0
- 2.0021 0.6717 -0.3084 C 0 0 0
- -1.5536 0.9486 -0.0031 C 0 0 0
- 3.1352 1.3019 -0.8040 C 0 0 0
- 2.1190 -0.5404 0.3552 C 0 0 0
- -2.6165 0.2897 0.4994 N 0 0 0
- -1.7103 2.0089 -0.5707 O 0 0 0
- 2.9924 2.8222 -1.6298 Cl 0 0 0
- 4.3776 0.7178 -0.6399 C 0 0 0
- 3.3631 -1.1215 0.5174 C 0 0 0
- -3.9612 0.8542 0.3600 C 0 0 0
- 4.4919 -0.4938 0.0176 C 0 0 0
- 3.5102 -2.6385 1.3484 Cl 0 0 0
- -4.9858 -0.2800 0.2911 C 0 0 0
- -4.2629 1.7322 1.5470 C 0 0 0
- 6.0529 -1.2252 0.2224 Cl 0 0 0
- -4.6794 -1.1715 -0.9140 C 0 0 0
- -5.0028 2.6797 1.4251 O 0 0 0
- -3.7098 1.4618 2.7397 O 0 0 0
- -5.8941 -2.5163 -0.9957 S 0 0 0
- -5.3027 -3.3857 -2.4739 C 0 0 0
- -0.6697 -0.4648 0.0000 H 0 0 0
- 0.5829 -0.2447 0.0000 H 0 0 0
- 1.3259 -1.1006 0.0000 H 0 0 0
- -2.5401 -0.6783 0.0000 H 0 0 0
- 5.1720 1.2762 0.0000 H 0 0 0
- -3.2521 1.5176 0.0000 H 0 0 0
- -5.5871 0.4825 0.0000 H 0 0 0
- -5.8382 -0.7450 0.0000 H 0 0 0
- -4.0781 -1.9339 0.0000 H 0 0 0
- -3.8270 -0.7065 0.0000 H 0 0 0
- -2.8374 1.0353 0.0000 H 0 0 0
- -6.1056 -3.9319 0.0000 H 0 0 0
- -4.7565 -4.1886 0.0000 H 0 0 0
- -4.4998 -2.8395 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 10 2 0
- 14 11 1 0
- 15 12 1 0
- 16 12 1 0
- 17 13 1 0
- 18 15 1 0
- 19 16 2 0
- 20 16 1 0
- 21 18 1 0
- 22 21 1 0
- 11 13 1 0
- 2 23 1 0
- 2 24 1 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 15 30 1 0
- 18 31 1 0
- 18 32 1 0
- 20 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120302-30-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.7090 -0.0822 0.2789 C 0 0 0
- -0.0989 -1.1964 -0.0125 C 0 0 0
- 2.0831 -0.5854 0.3468 C 0 0 0
- 0.1284 1.1783 0.4320 C 0 0 0
- -1.4738 -1.0265 -0.1403 C 0 0 0
- 0.7347 -2.2878 -0.1115 N 0 0 0
- 2.0303 -1.9048 0.1054 C 0 0 0
- 3.3212 0.2248 0.6328 C 0 0 0
- -1.2235 1.3232 0.2977 C 0 0 0
- -2.0262 0.2252 0.0192 C 0 0 0
- 3.9019 0.7501 -0.6816 C 0 0 0
- -3.4891 0.4032 -0.1178 N 0 3 0
- 5.0759 1.5182 -0.4104 O 0 0 0
- -3.9841 1.5073 0.0219 O 0 0 0
- -4.1981 -0.5545 -0.3703 O 0 5 0
- 0.7282 2.0132 0.0000 H 0 0 0
- -2.0870 -1.8517 0.0000 H 0 0 0
- 0.4157 -3.2651 0.0000 H 0 0 0
- 2.8414 -2.5365 0.0000 H 0 0 0
- 3.4318 -0.7973 0.0000 H 0 0 0
- 4.2820 -0.1410 0.0000 H 0 0 0
- -1.6393 2.2634 0.0000 H 0 0 0
- 3.7913 1.7722 0.0000 H 0 0 0
- 2.9411 1.1160 0.0000 H 0 0 0
- 5.9362 2.0811 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 12 15 1 0
- 6 7 1 0
- 9 10 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.3205 -0.0144 -0.0014 C 0 0 0
- 1.0013 0.3446 -0.0014 N 0 0 0
- 3.3151 0.9669 -0.0014 C 0 0 0
- 2.6807 -1.3649 0.0043 C 0 0 0
- 0.0856 -0.5640 -0.0015 N 0 0 0
- 4.6440 0.5972 -0.0014 C 0 0 0
- 2.9369 2.4257 -0.0018 C 0 0 0
- 4.0133 -1.7194 0.0042 C 0 0 0
- -1.2309 -0.2057 -0.0015 C 0 0 0
- 4.9930 -0.7418 -0.0015 C 0 0 0
- -2.2255 -1.1896 -0.0015 C 0 0 0
- -1.5898 1.1469 0.0044 C 0 0 0
- -3.5526 -0.8241 -0.0011 C 0 0 0
- -2.9188 1.5042 0.0049 C 0 0 0
- -3.9055 0.5222 -0.0005 C 0 0 0
- -4.6248 -1.8831 -0.0016 C 0 0 0
- -5.2491 0.8879 -0.0005 N 0 0 0
- 1.9449 -2.1012 0.0000 H 0 0 0
- 5.3860 1.3272 0.0000 H 0 0 0
- 3.9445 2.6869 0.0000 H 0 0 0
- 2.6757 3.4333 0.0000 H 0 0 0
- 1.9293 2.1645 0.0000 H 0 0 0
- 4.2831 -2.7248 0.0000 H 0 0 0
- 5.9974 -1.0152 0.0000 H 0 0 0
- -1.9623 -2.1967 0.0000 H 0 0 0
- -0.8525 1.8817 0.0000 H 0 0 0
- -3.1866 2.5101 0.0000 H 0 0 0
- -5.3563 -1.1425 0.0000 H 0 0 0
- -5.3654 -2.6146 0.0000 H 0 0 0
- -3.8933 -2.6237 0.0000 H 0 0 0
- -5.5145 1.8944 0.0000 H 0 0 0
- -5.9880 0.1548 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 9 11 2 0
- 9 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 8 10 1 0
- 14 15 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82-28-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.9213 0.2935 0.0779 C 0 0 0
- -0.6671 -1.0925 0.0561 C 0 0 0
- 0.1992 1.2403 0.2181 C 0 0 0
- -2.2360 0.7574 -0.0395 C 0 0 0
- 0.7234 -1.5828 0.1736 C 0 0 0
- -1.7225 -1.9854 -0.0765 C 0 0 0
- 1.5841 0.7550 0.0276 C 0 0 0
- -0.0118 2.4071 0.4868 O 0 0 0
- -3.2802 -0.1589 -0.1770 C 0 0 0
- -2.5000 2.1180 -0.0190 N 0 0 0
- 1.8408 -0.6282 0.0061 C 0 0 0
- 0.9449 -2.7549 0.4054 O 0 0 0
- -3.0224 -1.5125 -0.1876 C 0 0 0
- 2.6335 1.6537 -0.1305 C 0 0 0
- -4.6983 0.3348 -0.3044 C 0 0 0
- 3.1422 -1.0858 -0.1733 C 0 0 0
- 3.9227 1.1818 -0.3076 C 0 0 0
- 4.1751 -0.1778 -0.3295 C 0 0 0
- -1.5400 -3.0077 0.0000 H 0 0 0
- -1.7160 2.7990 0.0000 H 0 0 0
- -3.4818 2.4564 0.0000 H 0 0 0
- -3.8133 -2.1855 0.0000 H 0 0 0
- 2.4490 2.6756 0.0000 H 0 0 0
- -4.3569 1.3155 0.0000 H 0 0 0
- -5.6790 0.6762 0.0000 H 0 0 0
- -5.0397 -0.6459 0.0000 H 0 0 0
- 3.3399 -2.1053 0.0000 H 0 0 0
- 4.7158 1.8522 0.0000 H 0 0 0
- 5.1565 -0.5173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 6 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-92-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 56 1 V2000
- -0.1879 -0.4679 -0.0051 C 0 0 0
- -1.4365 0.4162 0.0045 C 0 0 0
- 1.0620 0.4145 0.0045 C 0 0 0
- -2.6863 -0.4662 -0.0051 C 0 0 0
- 2.3106 -0.4697 -0.0051 C 0 0 0
- -3.9349 0.4180 0.0046 C 0 0 0
- 3.5604 0.4128 0.0045 C 0 0 0
- -5.1848 -0.4645 -0.0051 C 0 0 0
- 4.8091 -0.4714 -0.0051 C 0 0 0
- -6.4334 0.4197 0.0046 C 0 0 0
- 6.0589 0.4111 0.0045 C 0 0 0
- -7.6832 -0.4628 -0.0050 C 0 0 0
- 7.3075 -0.4731 -0.0052 C 0 0 0
- -8.9319 0.4214 0.0046 C 0 0 0
- 8.5574 0.4093 0.0045 C 0 0 0
- -10.1817 -0.4610 -0.0050 C 0 0 0
- 9.8060 -0.4748 -0.0052 C 0 0 0
- -11.4303 0.4231 0.0046 C 0 0 0
- 10.9733 0.3494 0.0038 O 0 0 0
- -0.9526 -1.3234 0.0000 H 0 0 0
- 0.5756 -1.3245 0.0000 H 0 0 0
- -0.6718 1.2717 0.0000 H 0 0 0
- -2.2001 1.2727 0.0000 H 0 0 0
- 1.8268 1.2700 0.0000 H 0 0 0
- 0.2985 1.2711 0.0000 H 0 0 0
- -3.4511 -1.3217 0.0000 H 0 0 0
- -1.9228 -1.3228 0.0000 H 0 0 0
- 1.5459 -1.3252 0.0000 H 0 0 0
- 3.0742 -1.3262 0.0000 H 0 0 0
- -3.1701 1.2735 0.0000 H 0 0 0
- -4.6985 1.2746 0.0000 H 0 0 0
- 4.3251 1.2683 0.0000 H 0 0 0
- 2.7968 1.2693 0.0000 H 0 0 0
- -5.9496 -1.3200 0.0000 H 0 0 0
- -4.4212 -1.3211 0.0000 H 0 0 0
- 4.0444 -1.3269 0.0000 H 0 0 0
- 5.5727 -1.3279 0.0000 H 0 0 0
- -5.6687 1.2752 0.0000 H 0 0 0
- -7.1970 1.2762 0.0000 H 0 0 0
- 6.8236 1.2666 0.0000 H 0 0 0
- 5.2953 1.2676 0.0000 H 0 0 0
- -8.4479 -1.3183 0.0000 H 0 0 0
- -6.9196 -1.3193 0.0000 H 0 0 0
- 6.5427 -1.3286 0.0000 H 0 0 0
- 8.0710 -1.3297 0.0000 H 0 0 0
- -8.1672 1.2769 0.0000 H 0 0 0
- -9.6955 1.2780 0.0000 H 0 0 0
- 9.3221 1.2648 0.0000 H 0 0 0
- 7.7939 1.2659 0.0000 H 0 0 0
- -10.9464 -1.3165 0.0000 H 0 0 0
- -9.4181 -1.3175 0.0000 H 0 0 0
- 9.0413 -1.3303 0.0000 H 0 0 0
- 10.5696 -1.3313 0.0000 H 0 0 0
- -10.7672 1.3596 0.0000 H 0 0 0
- -12.3668 1.0862 0.0000 H 0 0 0
- -12.0934 -0.5134 0.0000 H 0 0 0
- 11.9107 1.0113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 1 20 1 0
- 1 21 1 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 18 56 1 0
- 19 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-72-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 1.4992 0.1709 -0.0031 C 0 0 0
- 0.1525 0.7498 -0.0012 C 0 0 0
- 2.6121 1.0416 -0.0019 C 0 0 0
- 1.7013 -1.2105 -0.0003 C 0 0 0
- 0.0186 2.1569 0.0018 C 0 0 0
- -0.9888 -0.0537 -0.0027 C 0 0 0
- 2.4113 2.4417 0.0016 C 0 0 0
- 3.9048 0.4986 -0.0037 C 0 0 0
- 2.9730 -1.7085 -0.0017 C 0 0 0
- 0.5424 -2.1313 0.0048 N 0 3 0
- 1.1728 2.9744 0.0024 C 0 0 0
- -1.2645 2.7212 0.0036 C 0 0 0
- -2.2255 0.5268 -0.0013 C 0 0 0
- 4.0703 -0.8553 -0.0066 C 0 0 0
- 0.0666 -2.5057 1.0616 O 0 0 0
- 0.0645 -2.5146 -1.0480 O 0 5 0
- -2.3613 1.9096 0.0025 C 0 0 0
- -3.4346 -0.3271 -0.0030 N 0 3 0
- -4.5405 0.1831 -0.0018 O 0 0 0
- -3.3235 -1.5401 -0.0056 O 0 5 0
- -0.8977 -1.0944 0.0000 H 0 0 0
- 3.2407 3.0768 0.0000 H 0 0 0
- 4.7381 1.1286 0.0000 H 0 0 0
- 3.1227 -2.7424 0.0000 H 0 0 0
- 1.0633 4.0133 0.0000 H 0 0 0
- -1.3806 3.7594 0.0000 H 0 0 0
- 5.0349 -1.2565 0.0000 H 0 0 0
- -3.3160 2.3336 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 8 14 2 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 11 2 0
- 9 14 1 0
- 13 17 2 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.0059 0.7089 -0.0028 C 0 0 0
- 0.0059 -0.7090 -0.0009 C 0 0 0
- 1.2318 1.3973 -0.0022 C 0 0 0
- -1.1570 1.3691 0.0004 N 0 0 0
- 1.2319 -1.3973 0.0016 C 0 0 0
- -1.1571 -1.3691 -0.0010 N 0 0 0
- 2.3984 0.6971 0.0002 C 0 0 0
- -2.2864 0.6982 0.0053 C 0 0 0
- 2.3984 -0.6970 0.0021 C 0 0 0
- -2.2864 -0.6981 -0.0028 C 0 0 0
- 1.2465 2.4176 0.0000 H 0 0 0
- 1.2467 -2.4176 0.0000 H 0 0 0
- 3.2864 1.1998 0.0000 H 0 0 0
- -3.1733 1.2029 0.0000 H 0 0 0
- 3.2865 -1.1997 0.0000 H 0 0 0
- -3.1733 -1.2028 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 9 1 0
- 8 10 2 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-14-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.4697 0.0001 0.0872 C 0 0 0
- -0.7912 -1.1971 0.2207 C 0 0 0
- -0.7914 1.1972 0.2179 C 0 0 0
- -2.9214 -0.0002 -0.2017 N 0 3 0
- 0.5655 -1.1968 0.4848 C 0 0 0
- 0.5657 1.1975 0.4821 C 0 0 0
- -3.5192 1.0545 -0.3193 O 0 0 0
- -3.5182 -1.0551 -0.3219 O 0 5 0
- 1.2440 0.0007 0.6155 C 0 0 0
- 2.7234 0.0010 0.9030 C 0 0 0
- 3.6376 -0.0005 -0.6510 Cl 0 0 0
- -1.3105 -2.0886 0.0000 H 0 0 0
- -1.3110 2.0886 0.0000 H 0 0 0
- 1.0851 -2.0882 0.0000 H 0 0 0
- 1.0850 2.0890 0.0000 H 0 0 0
- 3.2402 0.8940 0.0000 H 0 0 0
- 2.2079 0.8947 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64894-89-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 1.4939 0.1581 -0.4743 C 0 0 0
- 0.4491 1.0242 -0.8276 C 0 0 0
- 2.5829 0.6526 0.3719 C 0 0 0
- 1.4950 -1.1823 -0.9248 C 0 0 0
- 0.4989 2.3506 -0.3431 C 0 0 0
- -0.5944 0.5948 -1.6238 N 0 0 0
- 2.5909 1.9140 0.8088 N 0 0 0
- 3.6256 -0.2178 0.7225 C 0 0 0
- 2.4995 -2.0169 -0.5857 C 0 0 0
- 1.6223 2.7685 0.4983 C 0 0 0
- -0.5061 3.2778 -0.6503 C 0 0 0
- -1.7311 0.0421 -1.0425 C 0 0 0
- 3.6041 -1.5504 0.2534 C 0 0 0
- 1.6499 4.0986 0.9709 C 0 0 0
- -0.4214 4.5485 -0.1625 C 0 0 0
- -2.7825 -0.3903 -1.8468 C 0 0 0
- -1.8126 -0.0826 0.3416 C 0 0 0
- 4.5831 -2.3808 0.5781 N 0 0 0
- 0.6442 4.9511 0.6377 C 0 0 0
- -3.9078 -0.9377 -1.2751 C 0 0 0
- -2.9355 -0.6292 0.9199 C 0 0 0
- 4.5674 -3.4412 0.2057 N 0 3 0
- -3.9951 -1.0596 0.1155 C 0 0 0
- 4.5516 -4.5016 -0.1667 N 0 5 0
- -5.1994 -1.6456 0.7314 C 0 0 0
- -5.2820 -1.7624 2.0714 O 0 0 0
- -6.1176 -2.0234 0.0309 O 0 0 0
- 0.6421 -1.5830 0.0000 H 0 0 0
- -0.9799 1.4546 0.0000 H 0 0 0
- 4.4823 0.1746 0.0000 H 0 0 0
- 2.3616 -2.9491 0.0000 H 0 0 0
- -1.3813 2.9287 0.0000 H 0 0 0
- 2.5090 4.4858 0.0000 H 0 0 0
- -1.1783 5.1098 0.0000 H 0 0 0
- -3.1680 0.4695 0.0000 H 0 0 0
- -1.1895 -0.7895 0.0000 H 0 0 0
- 0.8045 5.8797 0.0000 H 0 0 0
- -4.5156 -0.2176 0.0000 H 0 0 0
- -2.5518 -1.4898 0.0000 H 0 0 0
- -5.8261 -2.5318 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 12 17 2 0
- 13 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 1 0
- 18 22 2 0
- 20 23 1 0
- 22 24 2 0
- 23 25 1 0
- 25 26 1 0
- 25 27 2 0
- 7 10 1 0
- 9 13 1 0
- 15 19 1 0
- 21 23 2 0
- 4 28 1 0
- 6 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 26 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35142-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.2530 -0.4612 0.0379 C 0 0 0
- -1.2056 -0.6063 0.0215 C 0 0 0
- 0.8046 0.8368 0.0203 C 0 0 0
- 1.0953 -1.5812 0.0645 C 0 0 0
- -2.0027 0.5597 -0.0153 C 0 0 0
- -1.8132 -1.8633 0.0420 C 0 0 0
- 2.2124 0.9900 0.0401 C 0 0 0
- -0.0440 1.9619 -0.0170 C 0 0 0
- 2.4754 -1.4107 0.0829 C 0 0 0
- 0.8191 -2.9157 0.0773 O 0 0 0
- -3.4041 0.4316 -0.0319 C 0 0 0
- -1.3885 1.8307 -0.0345 C 0 0 0
- -3.1754 -1.9627 0.0257 C 0 0 0
- 3.0272 -0.1383 0.0737 C 0 0 0
- 2.8101 2.3332 0.0248 C 0 0 0
- 3.0658 -2.6433 0.1076 O 0 0 0
- 2.0433 -3.5665 -0.3101 C 0 0 0
- -3.9719 -0.8255 -0.0110 C 0 0 0
- -4.1917 1.5372 -0.0688 O 0 0 0
- 3.5190 2.7435 -1.0461 O 0 0 0
- 2.6650 3.0739 0.9778 O 0 0 0
- -5.5455 1.0799 -0.0770 C 0 0 0
- -1.2272 -2.7260 0.0000 H 0 0 0
- 0.3752 2.9169 0.0000 H 0 0 0
- -1.9851 2.6862 0.0000 H 0 0 0
- -3.6229 -2.9048 0.0000 H 0 0 0
- 4.0641 -0.0258 0.0000 H 0 0 0
- 1.4505 -4.4246 0.0000 H 0 0 0
- 2.8271 -4.2546 0.0000 H 0 0 0
- -5.0103 -0.9227 0.0000 H 0 0 0
- 4.4217 3.2659 0.0000 H 0 0 0
- -5.8793 2.0680 0.0000 H 0 0 0
- -6.5336 0.7461 0.0000 H 0 0 0
- -5.2117 0.0918 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 2 0
- 11 19 1 0
- 15 20 1 0
- 15 21 2 0
- 19 22 1 0
- 8 12 2 0
- 9 14 1 0
- 13 18 1 0
- 16 17 1 0
- 6 23 1 0
- 8 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 20 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18662-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 23 1 V2000
- -8.7047 0.0081 -0.2847 N 0 0 0
- -9.1448 -1.3504 -0.6293 C 0 0 0
- -8.0007 0.5349 -1.4615 C 0 0 0
- -9.9200 0.8171 -0.1226 C 0 0 0
- -9.3303 -2.1535 0.6324 C 0 0 0
- -6.5308 0.2220 -1.3493 C 0 0 0
- -9.6399 1.9618 0.8167 C 0 0 0
- -9.7853 -3.2876 0.5743 O 0 0 0
- -9.0258 -1.6712 1.7148 O 0 0 0
- -6.0850 -0.2597 -0.3168 O 0 0 0
- -5.7833 0.4496 -2.2907 O 0 0 0
- -8.5717 2.0184 1.4105 O 0 0 0
- -10.4806 2.8345 0.9855 O 0 0 0
- 4.1849 -0.1185 -0.6679 O 0 0 0
- 12.8364 -0.0588 -0.2845 Na 0 3 0
- 21.4880 0.0008 0.0988 Na 0 3 0
- 30.1395 0.0604 0.4822 Na 0 3 0
- -9.7272 -0.7409 0.0000 H 0 0 0
- -9.9578 -1.5735 0.0000 H 0 0 0
- -7.6345 1.2943 0.0000 H 0 0 0
- -8.6515 1.0708 0.0000 H 0 0 0
- -10.7103 1.1107 0.0000 H 0 0 0
- -10.3030 0.0660 0.0000 H 0 0 0
- 3.3418 -0.1185 0.0000 H 0 0 0
- 5.0280 -0.1185 0.0000 H 0 0 0
- -8.5757 -0.9583 0.0000 H 0 0 0
- -4.9768 0.6952 0.0000 H 0 0 0
- -11.0655 3.4417 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 2 0
- 7 13 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 14 24 1 0
- 14 25 1 0
- 9 26 1 0
- 11 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23696-28-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.6271 0.9114 0.1635 C 0 0 0
- -2.3350 -0.2438 -0.2357 C 0 0 0
- -0.3233 0.8203 0.4701 N 0 3 0
- -2.3021 2.1409 0.2393 C 0 0 0
- -1.6803 -1.4452 -0.3055 N 0 3 0
- -3.6889 -0.1449 -0.5523 C 0 0 0
- 0.3003 -0.3555 0.3980 C 0 0 0
- 0.2911 1.8140 0.8144 O 0 5 0
- -3.6276 2.2034 -0.0724 C 0 0 0
- -0.3834 -1.5034 0.0053 C 0 0 0
- -2.3728 -2.6143 -0.7040 O 0 5 0
- -4.3185 1.0647 -0.4742 C 0 0 0
- 1.7349 -0.4418 0.7375 C 0 0 0
- 0.3455 -2.8204 -0.0678 C 0 0 0
- 2.6653 -0.1019 -0.1763 N 0 0 0
- 2.0767 -0.8195 1.8415 O 0 0 0
- 4.0885 -0.1875 0.1605 C 0 0 0
- 4.9248 0.2515 -1.0432 C 0 0 0
- 4.5964 1.5996 -1.3851 O 0 0 0
- -1.7679 2.9970 0.0000 H 0 0 0
- -4.2435 -0.9879 0.0000 H 0 0 0
- -4.1018 3.0942 0.0000 H 0 0 0
- -5.3271 1.0977 0.0000 H 0 0 0
- -0.5374 -3.3090 0.0000 H 0 0 0
- 0.8341 -3.7033 0.0000 H 0 0 0
- 1.2284 -2.3318 0.0000 H 0 0 0
- 2.5194 0.8966 0.0000 H 0 0 0
- 3.6932 -1.1159 0.0000 H 0 0 0
- 4.8303 -0.8716 0.0000 H 0 0 0
- 5.3195 -0.6772 0.0000 H 0 0 0
- 5.8825 0.5693 0.0000 H 0 0 0
- 4.3576 2.5800 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 13 16 2 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 7 10 1 0
- 9 12 1 0
- 4 20 1 0
- 6 21 1 0
- 9 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-759-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 0.9793 0.2406 0.0566 N 0 0 0
- -0.0201 -0.6425 0.2516 C 0 0 0
- 0.6916 1.5575 -0.5171 C 0 0 0
- 2.3524 -0.1143 0.4240 C 0 0 0
- -1.6726 -0.2130 -0.1836 S 0 0 0
- 0.2187 -1.7357 0.7278 O 0 0 0
- 0.1517 2.4828 0.5753 C 0 0 0
- 2.9612 -0.9953 -0.6688 C 0 0 0
- -3.0147 -1.3988 0.0783 C 0 0 0
- -0.1487 3.8581 -0.0239 C 0 0 0
- 4.3952 -1.3659 -0.2851 C 0 0 0
- -4.3375 -0.7813 -0.3798 C 0 0 0
- 1.7255 1.3435 0.0000 H 0 0 0
- 1.3080 2.4147 0.0000 H 0 0 0
- 3.3550 0.2166 0.0000 H 0 0 0
- 2.3176 0.9409 0.0000 H 0 0 0
- -0.8822 2.6969 0.0000 H 0 0 0
- -0.4647 1.6256 0.0000 H 0 0 0
- 1.9586 -1.3262 0.0000 H 0 0 0
- 2.9960 -2.0505 0.0000 H 0 0 0
- -3.5876 -2.2856 0.0000 H 0 0 0
- -2.2143 -2.0873 0.0000 H 0 0 0
- 0.8828 4.0834 0.0000 H 0 0 0
- -0.3740 4.8896 0.0000 H 0 0 0
- -1.1802 3.6328 0.0000 H 0 0 0
- 4.1310 -2.3881 0.0000 H 0 0 0
- 5.4174 -1.6301 0.0000 H 0 0 0
- 4.6594 -0.3437 0.0000 H 0 0 0
- -3.8909 0.1754 0.0000 H 0 0 0
- -5.2942 -0.3347 0.0000 H 0 0 0
- -4.7841 -1.7380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3602-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 1.7860 0.6418 -0.0004 C 0 0 0
- 0.3572 0.1626 -0.0019 C 0 0 0
- 1.8392 2.0882 -0.4963 C 0 0 0
- 2.3468 0.5691 1.4212 C 0 0 0
- 2.6224 -0.2453 -0.9247 C 0 0 0
- 0.0637 -1.2851 0.0003 C 0 0 0
- -0.6471 1.0499 0.0005 C 0 0 0
- -1.3367 -1.7548 -0.0007 C 0 0 0
- 0.9739 -2.0891 0.0024 O 0 0 0
- -2.0476 0.5801 -0.0004 C 0 0 0
- -2.3410 -0.8675 -0.0034 C 0 0 0
- -2.9577 1.3842 0.0022 O 0 0 0
- 2.8838 2.0498 0.0000 H 0 0 0
- 1.8776 3.1328 0.0000 H 0 0 0
- 0.7946 2.1266 0.0000 H 0 0 0
- 2.2124 -0.4675 0.0000 H 0 0 0
- 3.3834 0.4347 0.0000 H 0 0 0
- 2.4812 1.6057 0.0000 H 0 0 0
- 1.8618 -0.9624 0.0000 H 0 0 0
- 3.3395 -1.0059 0.0000 H 0 0 0
- 3.3830 0.4718 0.0000 H 0 0 0
- -0.4394 2.0744 0.0000 H 0 0 0
- -1.5444 -2.7793 0.0000 H 0 0 0
- -3.3321 -1.1999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 1 0
- 6 9 2 0
- 7 10 1 0
- 8 11 2 0
- 10 12 2 0
- 10 11 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6237-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 1.2776 0.0835 -0.1686 C 0 0 0
- 0.1641 0.8729 -0.5189 C 0 0 0
- 2.4281 0.7060 0.3832 C 0 0 0
- 1.2624 -1.3097 -0.3524 C 0 0 0
- 0.2498 2.2620 -0.3006 C 0 0 0
- -0.9704 0.3051 -1.0574 N 0 0 0
- 2.4644 2.0241 0.5724 N 0 0 0
- 3.5355 -0.0950 0.7295 C 0 0 0
- 2.3518 -2.0472 -0.0052 C 0 0 0
- 1.4362 2.8089 0.2559 C 0 0 0
- -0.8210 3.1123 -0.6259 C 0 0 0
- -1.8467 -0.0384 0.0705 C 0 0 0
- 3.4862 -1.4388 0.5320 C 0 0 0
- 2.3328 -3.5147 -0.2000 N 0 3 0
- 1.5091 4.2008 0.4694 C 0 0 0
- -0.7104 4.4502 -0.4046 C 0 0 0
- -3.1324 -0.6769 -0.4587 C 0 0 0
- 3.3038 -4.1825 0.1080 O 0 0 0
- 1.3463 -4.0541 -0.6683 O 0 5 0
- 0.4529 4.9913 0.1426 C 0 0 0
- -4.0451 -1.0347 0.7160 C 0 0 0
- -5.2796 -1.6477 0.2079 N 0 0 0
- -6.1065 -1.9652 1.3798 C 0 0 0
- -5.9920 -0.6040 -0.5411 C 0 0 0
- 0.3873 -1.7679 0.0000 H 0 0 0
- -0.5687 -0.5973 0.0000 H 0 0 0
- 4.4233 0.3382 0.0000 H 0 0 0
- -1.7275 2.7198 0.0000 H 0 0 0
- -1.7276 0.9422 0.0000 H 0 0 0
- -2.6533 0.5318 0.0000 H 0 0 0
- 4.3244 -1.9615 0.0000 H 0 0 0
- 2.4037 4.6197 0.0000 H 0 0 0
- -1.5206 5.0152 0.0000 H 0 0 0
- -3.2515 -1.6575 0.0000 H 0 0 0
- -2.3258 -1.2471 0.0000 H 0 0 0
- 0.5550 5.9738 0.0000 H 0 0 0
- -3.9260 -0.0541 0.0000 H 0 0 0
- -4.8517 -0.4645 0.0000 H 0 0 0
- -6.4606 -1.0430 0.0000 H 0 0 0
- -7.0287 -2.3193 0.0000 H 0 0 0
- -5.7524 -2.8874 0.0000 H 0 0 0
- -5.1761 -0.0471 0.0000 H 0 0 0
- -6.5489 0.2119 0.0000 H 0 0 0
- -6.8079 -1.1609 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 2 0
- 14 19 1 0
- 15 20 2 0
- 17 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 7 10 2 0
- 9 13 1 0
- 16 20 1 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114882-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- 0.3275 -0.4819 -0.0017 C 0 0 0
- -1.0780 -0.5124 -0.0016 C 0 0 0
- 1.0018 0.7521 -0.0002 C 0 0 0
- 1.0721 -1.7414 0.0027 C 0 0 0
- -1.7949 0.7016 -0.0004 C 0 0 0
- -1.7552 -1.7554 -0.0022 C 0 0 0
- 2.4667 0.7422 -0.0003 C 0 0 0
- 0.2631 1.9433 0.0019 C 0 0 0
- 2.4611 -1.7158 0.0021 C 0 0 0
- 0.3443 -2.9560 0.0069 C 0 0 0
- -3.2647 0.6390 -0.0003 C 0 0 0
- -1.1032 1.9161 0.0002 C 0 0 0
- -1.0122 -2.9531 -0.0024 C 0 0 0
- -3.1638 -1.7768 -0.0021 C 0 0 0
- 3.1580 -0.4956 -0.0020 C 0 0 0
- 3.1907 1.9376 0.0006 C 0 0 0
- -3.8904 -0.6334 -0.0014 C 0 0 0
- -3.9881 1.7476 0.0012 N 0 0 0
- 4.5673 -0.4890 -0.0021 C 0 0 0
- 4.5555 1.9063 0.0000 C 0 0 0
- -5.2043 1.6811 0.0012 O 0 0 0
- 5.2399 0.6945 -0.0007 C 0 0 0
- 0.7665 2.8694 0.0000 H 0 0 0
- 2.9987 -2.6226 0.0000 H 0 0 0
- 0.8630 -3.8737 0.0000 H 0 0 0
- -1.6420 2.8221 0.0000 H 0 0 0
- -1.5257 -3.8737 0.0000 H 0 0 0
- -3.6643 -2.7045 0.0000 H 0 0 0
- 2.6838 2.8619 0.0000 H 0 0 0
- -4.9430 -0.6909 0.0000 H 0 0 0
- 5.0996 -1.3989 0.0000 H 0 0 0
- 5.0973 2.8105 0.0000 H 0 0 0
- 6.2940 0.6931 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 19 22 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55302-96-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.2728 -0.0045 -0.1385 C 0 0 0
- 0.6594 -1.0332 -0.1598 C 0 0 0
- 0.1503 1.3109 0.0061 C 0 0 0
- -1.6336 -0.2912 -0.2682 N 0 0 0
- 2.0090 -0.7441 -0.0366 C 0 0 0
- 1.4969 1.5946 0.1286 C 0 0 0
- -2.6164 0.7950 -0.2456 C 0 0 0
- 2.4259 0.5720 0.1076 C 0 0 0
- 2.9240 -1.7488 -0.0566 O 0 0 0
- -4.0226 0.2138 -0.4052 C 0 0 0
- 3.8937 0.8861 0.2416 C 0 0 0
- -4.2885 -0.6915 0.6681 O 0 0 0
- 0.3415 -2.0195 0.0000 H 0 0 0
- -0.5435 2.0806 0.0000 H 0 0 0
- -1.9535 -1.2768 0.0000 H 0 0 0
- 1.8158 2.5806 0.0000 H 0 0 0
- -1.7736 1.3979 0.0000 H 0 0 0
- -3.1191 1.7012 0.0000 H 0 0 0
- 3.6217 -2.5149 0.0000 H 0 0 0
- -4.1939 1.2358 0.0000 H 0 0 0
- -5.0570 0.2757 0.0000 H 0 0 0
- 4.1105 -0.1272 0.0000 H 0 0 0
- 4.9070 1.1029 0.0000 H 0 0 0
- 3.6769 1.8994 0.0000 H 0 0 0
- -4.5805 -1.6858 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2085-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 1.4439 -0.1455 -0.1878 C 0 0 0
- -0.0577 -0.0634 -0.0912 C 0 0 0
- 2.2458 1.1315 0.0715 C 0 0 0
- 2.1999 0.0534 1.0084 O 0 0 0
- 1.9897 -1.1325 -1.2216 C 0 0 0
- -0.7865 -1.1702 0.3013 C 0 0 0
- -0.7060 1.1207 -0.3899 C 0 0 0
- -2.1642 -1.0949 0.3899 C 0 0 0
- -2.0832 1.1960 -0.3013 C 0 0 0
- -2.8127 0.0871 0.0858 C 0 0 0
- 3.2093 1.4383 0.0000 H 0 0 0
- 1.6265 1.9308 0.0000 H 0 0 0
- 1.1048 -1.6218 0.0000 H 0 0 0
- 2.4790 -2.0174 0.0000 H 0 0 0
- 2.8746 -0.6432 0.0000 H 0 0 0
- -0.3313 -2.0731 0.0000 H 0 0 0
- -0.1670 1.9762 0.0000 H 0 0 0
- -2.7029 -1.9506 0.0000 H 0 0 0
- -2.5386 2.0988 0.0000 H 0 0 0
- -3.8230 0.1276 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 3 4 1 0
- 9 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.0036 -0.4683 0.0000 C 0 0 0
- -1.3472 0.1998 0.0000 C 0 0 0
- 1.0085 0.2015 0.0000 O 0 0 0
- 0.0690 -1.4842 0.0000 H 0 0 0
- -0.8959 1.1123 0.0000 H 0 0 0
- -2.2597 0.6511 0.0000 H 0 0 0
- -1.7985 -0.7127 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148193-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.9742 -0.3499 -0.0025 C 0 0 0
- -0.1445 0.5120 -0.0009 C 0 0 0
- 2.2717 0.1343 -0.0013 C 0 0 0
- 0.2315 -1.9588 0.0010 S 0 0 0
- -1.4066 -0.2043 -0.0027 C 0 0 0
- 0.1171 1.9026 0.0017 C 0 0 0
- 2.4835 1.5040 0.0017 C 0 0 0
- 3.3554 -0.7485 -0.0025 N 0 0 0
- -1.4150 -1.5030 0.0043 N 0 0 0
- -2.9040 0.6740 -0.0011 Cl 0 0 0
- 1.3946 2.3670 0.0025 C 0 0 0
- -0.6861 2.5847 0.0000 H 0 0 0
- 3.4646 1.8886 0.0000 H 0 0 0
- 3.1875 -1.7888 0.0000 H 0 0 0
- 4.3402 -0.3737 0.0000 H 0 0 0
- 1.5633 3.4072 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 5 9 2 0
- 7 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2154-67-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -2.4440 1.1994 -0.0499 O 0 0 0
- -1.4251 0.3424 -0.6564 N 0 0 0
- -0.1102 0.9068 -0.2720 C 0 0 0
- -1.4633 -0.9464 0.0737 C 0 0 0
- 0.4909 1.6918 -1.4397 C 0 0 0
- -0.2600 1.8121 0.9523 C 0 0 0
- 0.7584 -0.2849 0.0594 C 0 0 0
- -2.1397 -0.7647 1.4339 C 0 0 0
- -2.2068 -1.9998 -0.7500 C 0 0 0
- -0.0179 -1.3482 0.2578 C 0 0 0
- 2.2252 -0.2721 0.1481 C 0 0 0
- 2.7732 0.2956 1.0725 O 0 0 0
- 2.9629 -0.8900 -0.7959 O 0 0 0
- -3.1841 1.8219 0.0000 H 0 0 0
- 1.2587 1.1039 0.0000 H 0 0 0
- 1.0788 2.4596 0.0000 H 0 0 0
- -0.2769 2.2797 0.0000 H 0 0 0
- 0.6941 1.9700 0.0000 H 0 0 0
- -0.4179 2.7662 0.0000 H 0 0 0
- -1.2141 1.6542 0.0000 H 0 0 0
- -1.8888 0.1692 0.0000 H 0 0 0
- -3.0736 -0.5138 0.0000 H 0 0 0
- -2.3906 -1.6986 0.0000 H 0 0 0
- -2.9969 -1.4422 0.0000 H 0 0 0
- -2.7644 -2.7899 0.0000 H 0 0 0
- -1.4167 -2.5574 0.0000 H 0 0 0
- 0.2996 -2.2616 0.0000 H 0 0 0
- 3.7042 -1.5109 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 7 1 0
- 12 11 2 0
- 13 11 1 0
- 7 10 2 0
- 1 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-497-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.0000 -0.0349 0.0014 C 0 0 0
- 0.0000 -1.2492 -0.0004 O 0 0 0
- 1.1651 0.6377 -0.0003 O 0 0 0
- -1.1651 0.6378 -0.0003 O 0 0 0
- 2.0389 1.1422 0.0000 H 0 0 0
- -2.0389 1.1423 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 3 5 1 0
- 4 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96563-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 0.2309 -0.4423 -0.0243 C 0 0 0
- -1.2446 -0.5999 -0.0196 C 0 0 0
- 0.5530 0.9019 -0.1881 C 0 0 0
- 1.2556 -1.3813 0.1080 C 0 0 0
- -1.8445 0.6458 -0.1805 C 0 0 0
- -2.0470 -1.7348 0.1133 C 0 0 0
- -0.7417 1.6695 -0.2965 C 0 0 0
- 1.8725 1.3009 -0.2239 C 0 0 0
- 2.5725 -0.9734 0.0693 C 0 0 0
- -3.2186 0.7570 -0.2081 C 0 0 0
- -3.4206 -1.6141 0.0844 C 0 0 0
- -0.8442 2.6631 0.8624 C 0 0 0
- 2.8830 0.3645 -0.0969 C 0 0 0
- 3.6773 -1.9883 0.2127 C 0 0 0
- -4.0077 -0.3717 -0.0758 C 0 0 0
- 4.3242 0.8030 -0.1364 C 0 0 0
- 1.0289 -2.3916 0.0000 H 0 0 0
- -1.6117 -2.6743 0.0000 H 0 0 0
- -1.7108 2.0341 0.0000 H 0 0 0
- 2.1054 2.3098 0.0000 H 0 0 0
- -3.6596 1.6938 0.0000 H 0 0 0
- -4.0125 -2.4637 0.0000 H 0 0 0
- 0.1858 2.7694 0.0000 H 0 0 0
- -0.9505 3.6931 0.0000 H 0 0 0
- -1.8742 2.5568 0.0000 H 0 0 0
- 2.9768 -2.7508 0.0000 H 0 0 0
- 4.4398 -2.6888 0.0000 H 0 0 0
- 4.3778 -1.2258 0.0000 H 0 0 0
- -5.0394 -0.2845 0.0000 H 0 0 0
- 4.6256 -0.1876 0.0000 H 0 0 0
- 5.3148 1.1044 0.0000 H 0 0 0
- 4.0228 1.7936 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 13 16 1 0
- 5 7 1 0
- 9 13 1 0
- 11 15 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86470-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.1889 -0.0023 -0.0261 C 0 0 0
- -1.6582 -0.0955 0.0021 C 0 0 0
- 0.4292 1.3346 -0.0830 C 0 0 0
- 0.5441 -1.0898 0.0046 C 0 0 0
- -2.4420 1.1524 -0.0279 C 0 0 0
- -2.2463 -1.2671 0.0531 C 0 0 0
- 1.7402 1.4359 -0.1087 C 0 0 0
- -0.4314 2.5267 -0.1104 C 0 0 0
- 2.0119 -0.9730 -0.0244 C 0 0 0
- -0.1114 -2.4072 0.0669 C 0 0 0
- -1.7406 2.4436 -0.0853 C 0 0 0
- -3.7553 1.0871 -0.0032 C 0 0 0
- -1.4278 -2.4911 0.0825 C 0 0 0
- -3.7171 -1.3367 0.0807 C 0 0 0
- 2.5710 0.2186 -0.0805 C 0 0 0
- -4.4240 -0.2252 0.0538 C 0 0 0
- 4.0729 0.3384 -0.1105 C 0 0 0
- 4.6060 0.4293 1.3208 C 0 0 0
- 4.6296 -0.8097 -0.7540 O 0 0 0
- 2.2171 2.4298 0.0000 H 0 0 0
- 0.0392 3.5236 0.0000 H 0 0 0
- 2.6396 -1.8792 0.0000 H 0 0 0
- 0.4986 -3.3254 0.0000 H 0 0 0
- -2.3339 3.3727 0.0000 H 0 0 0
- -4.3544 2.0124 0.0000 H 0 0 0
- -1.9161 -3.4794 0.0000 H 0 0 0
- -4.2247 -2.3153 0.0000 H 0 0 0
- -5.5251 -0.2776 0.0000 H 0 0 0
- 3.9363 1.4323 0.0000 H 0 0 0
- 4.7913 -0.6574 0.0000 H 0 0 0
- 5.6927 0.6146 0.0000 H 0 0 0
- 4.4207 1.5160 0.0000 H 0 0 0
- 5.1106 -1.8016 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 12 16 1 0
- 15 17 1 0
- 17 18 1 0
- 17 19 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 16 2 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2984-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -2.5454 0.2034 -0.5273 C 0 0 0
- -3.8064 -0.5658 -0.1283 C 0 0 0
- -3.3840 0.6170 0.5533 O 0 0 0
- -1.3134 -0.5135 0.0288 C 0 0 0
- -0.0525 0.2557 -0.3702 C 0 0 0
- 1.1795 -0.4612 0.1859 C 0 0 0
- 2.4405 0.3080 -0.2131 C 0 0 0
- 3.6725 -0.4088 0.3430 C 0 0 0
- 4.9335 0.3604 -0.0560 C 0 0 0
- -2.0398 1.1453 0.0000 H 0 0 0
- -4.8743 -0.5165 0.0000 H 0 0 0
- -3.5411 -1.6014 0.0000 H 0 0 0
- -1.9958 -1.3364 0.0000 H 0 0 0
- -0.6140 -1.3221 0.0000 H 0 0 0
- 0.6299 1.0786 0.0000 H 0 0 0
- -0.7519 1.0643 0.0000 H 0 0 0
- 0.4971 -1.2841 0.0000 H 0 0 0
- 1.8788 -1.2698 0.0000 H 0 0 0
- 3.1229 1.1309 0.0000 H 0 0 0
- 1.7411 1.1166 0.0000 H 0 0 0
- 2.9901 -1.2317 0.0000 H 0 0 0
- 4.3719 -1.2174 0.0000 H 0 0 0
- 5.4902 -0.5523 0.0000 H 0 0 0
- 5.8462 0.9171 0.0000 H 0 0 0
- 4.3768 1.2731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 2 3 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -1.8474 -0.3773 0.0661 C 0 0 0
- -2.8846 0.6231 0.0336 C 0 0 0
- -0.4249 -0.0073 0.1387 C 0 0 0
- -2.2477 -1.6971 0.0320 C 0 0 0
- -4.1571 0.1850 -0.0326 C 0 0 0
- 0.5205 -0.9674 0.1675 N 0 0 0
- -0.1023 1.1651 0.1726 O 0 0 0
- -3.9742 -1.5866 -0.0417 S 0 0 0
- -5.4038 0.9819 -0.0781 N 0 3 0
- 1.8735 -0.6188 0.1034 C 0 0 0
- -6.4833 0.4210 -0.1372 O 0 0 0
- -5.3500 2.1986 -0.0564 O 0 5 0
- 2.8426 -1.6077 -0.0025 C 0 0 0
- 2.2504 0.7177 0.1397 C 0 0 0
- 4.1779 -1.2601 -0.0662 C 0 0 0
- 3.5870 1.0585 0.0757 C 0 0 0
- 4.5501 0.0709 -0.0245 C 0 0 0
- 5.9819 0.4399 -0.0924 N 0 3 0
- 6.3112 1.6119 -0.0558 O 0 0 0
- 6.8309 -0.4286 -0.1849 O 0 5 0
- -2.6609 1.6335 0.0000 H 0 0 0
- -1.6581 -2.5476 0.0000 H 0 0 0
- 0.2440 -1.9646 0.0000 H 0 0 0
- 2.5662 -2.6049 0.0000 H 0 0 0
- 1.5279 1.4586 0.0000 H 0 0 0
- 4.9030 -1.9984 0.0000 H 0 0 0
- 3.8672 2.0547 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 8 1 0
- 16 17 1 0
- 2 21 1 0
- 4 22 1 0
- 6 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113779-16-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- 0.5812 0.2949 -0.0034 C 0 0 0
- 0.1501 -1.0482 -0.0019 C 0 0 0
- 1.9398 0.5376 -0.0015 C 0 0 0
- -0.2958 1.4007 -0.0010 C 0 0 0
- -1.2299 -1.3260 -0.0009 C 0 0 0
- 1.1159 -2.0847 -0.0008 C 0 0 0
- 2.9562 -0.5018 0.0002 C 0 0 0
- 2.5211 1.8060 -0.0004 C 0 0 0
- -1.7396 1.1293 0.0031 C 0 0 0
- 0.2635 2.6776 -0.0013 C 0 0 0
- -2.1929 -0.2100 -0.0039 C 0 0 0
- -1.6420 -2.6553 0.0017 C 0 0 0
- 2.5070 -1.8079 -0.0006 C 0 0 0
- 0.6526 -3.4110 0.0010 C 0 0 0
- 4.2217 0.2336 0.0031 C 0 0 0
- 1.6348 2.8876 -0.0031 C 0 0 0
- 3.9639 1.5697 0.0030 C 0 0 0
- -2.6662 2.1714 0.0022 C 0 0 0
- -3.5649 -0.4651 -0.0008 C 0 0 0
- -0.7000 -3.6715 0.0025 C 0 0 0
- -4.0150 1.8932 0.0093 C 0 0 0
- -4.4616 0.5798 -0.0066 C 0 0 0
- -0.3740 3.5077 0.0000 H 0 0 0
- -2.6626 -2.8872 0.0000 H 0 0 0
- 3.1955 -2.5962 0.0000 H 0 0 0
- 1.3368 -4.2030 0.0000 H 0 0 0
- 5.1744 -0.1997 0.0000 H 0 0 0
- 2.0095 3.8648 0.0000 H 0 0 0
- 4.6934 2.3202 0.0000 H 0 0 0
- -2.3367 3.1648 0.0000 H 0 0 0
- -3.9128 -1.4522 0.0000 H 0 0 0
- -1.0258 -4.6661 0.0000 H 0 0 0
- -4.7077 2.6778 0.0000 H 0 0 0
- -5.4893 0.3814 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 9 18 2 0
- 11 19 2 0
- 12 20 2 0
- 18 21 1 0
- 19 22 1 0
- 7 13 2 0
- 9 11 1 0
- 10 16 1 0
- 14 20 1 0
- 15 17 2 0
- 21 22 2 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-138542-40-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.7373 -0.3507 0.0017 C 0 0 0
- -0.6611 -0.1986 0.0015 C 0 0 0
- 1.5651 0.7978 0.0005 C 0 0 0
- 1.3012 -1.6475 -0.0028 C 0 0 0
- -1.2313 1.0937 0.0006 C 0 0 0
- -1.4945 -1.3424 0.0026 C 0 0 0
- 3.0311 0.6277 0.0007 C 0 0 0
- 0.9898 2.0642 -0.0013 C 0 0 0
- 2.7553 -1.8048 -0.0021 C 0 0 0
- 0.4612 -2.7668 -0.0075 C 0 0 0
- -2.6342 1.2343 -0.0001 C 0 0 0
- -0.3888 2.2180 -0.0001 C 0 0 0
- -2.9454 -1.1543 0.0024 C 0 0 0
- -0.9216 -2.6161 0.0044 C 0 0 0
- 3.5878 -0.6759 0.0022 C 0 0 0
- 3.8693 1.7334 -0.0009 C 0 0 0
- -3.4618 0.1226 0.0001 C 0 0 0
- 4.9893 -0.8275 0.0020 C 0 0 0
- 5.2486 1.5600 -0.0011 C 0 0 0
- -4.9298 0.3113 -0.0006 N 0 3 0
- 5.7998 0.2900 0.0003 C 0 0 0
- -5.6683 -0.6572 -0.0004 O 0 0 0
- -5.4757 1.6179 -0.0015 O 0 5 0
- 1.6087 2.9170 0.0000 H 0 0 0
- 3.1790 -2.7696 0.0000 H 0 0 0
- 0.8805 -3.7335 0.0000 H 0 0 0
- -3.0595 2.1984 0.0000 H 0 0 0
- -0.8072 3.1851 0.0000 H 0 0 0
- -3.5895 -1.9882 0.0000 H 0 0 0
- -1.5410 -3.4686 0.0000 H 0 0 0
- 3.4604 2.7045 0.0000 H 0 0 0
- 5.4168 -1.7906 0.0000 H 0 0 0
- 5.8806 2.4032 0.0000 H 0 0 0
- 6.8473 0.1754 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 20 23 1 0
- 8 12 2 0
- 9 15 1 0
- 10 14 2 0
- 13 17 2 0
- 19 21 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7443 0.1116 0.0036 C 0 0 0
- 0.0977 -0.9850 0.0033 C 0 0 0
- -0.2188 1.3910 0.0017 C 0 0 0
- -2.2114 -0.0839 -0.0003 N 0 3 0
- 1.4673 -0.8061 0.0012 C 0 0 0
- 1.1494 1.5770 -0.0004 C 0 0 0
- -2.9544 0.8811 -0.0001 O 0 0 0
- -2.6757 -1.2100 -0.0038 O 0 5 0
- 1.9984 0.4773 -0.0006 C 0 0 0
- 2.3843 -2.0019 0.0005 C 0 0 0
- 3.3829 0.6619 -0.0032 N 0 0 0
- -0.2996 -1.9432 0.0000 H 0 0 0
- -0.8532 2.2117 0.0000 H 0 0 0
- 1.5429 2.5368 0.0000 H 0 0 0
- 1.5611 -2.6331 0.0000 H 0 0 0
- 3.0155 -2.8251 0.0000 H 0 0 0
- 3.2075 -1.3707 0.0000 H 0 0 0
- 4.0157 -0.1600 0.0000 H 0 0 0
- 3.7783 1.6209 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84-24-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 66 1 V2000
- -3.7194 -0.3410 -0.5276 C 0 0 0
- -4.6033 -0.5760 0.6989 C 0 0 0
- -2.6563 0.6736 -0.1936 C 0 0 0
- -5.6827 -1.6060 0.3598 C 0 0 0
- -1.4320 0.2395 0.3206 C 0 0 0
- -2.9106 2.0261 -0.4087 C 0 0 0
- -6.5666 -1.8410 1.5863 C 0 0 0
- -0.4642 1.1807 0.6164 C 0 0 0
- -1.3422 -1.0922 0.4801 O 0 0 0
- -4.2065 2.4591 -0.9556 C 0 0 0
- -1.9224 2.9722 -0.0997 C 0 0 0
- -7.6460 -2.8711 1.2472 C 0 0 0
- 0.7759 0.9015 1.1132 O 0 0 0
- -0.7148 2.5392 0.4102 C 0 0 0
- -0.2535 -1.6648 -0.0490 C 0 0 0
- -5.1505 2.6391 -0.2115 O 0 0 0
- -4.3465 2.6560 -2.2816 O 0 0 0
- -2.1500 4.2949 -0.2996 O 0 0 0
- 1.1178 -0.3367 1.5168 C 0 0 0
- 0.9970 -1.4230 0.5297 C 0 0 0
- -0.3436 -2.5130 -1.1408 C 0 0 0
- 1.5096 -0.5488 2.6475 O 0 0 0
- 2.1200 -2.1379 0.1108 C 0 0 0
- 0.7858 -3.1833 -1.5884 C 0 0 0
- 3.4424 -1.9533 0.8095 C 0 0 0
- 2.0094 -3.0140 -0.9464 C 0 0 0
- 0.6969 -4.0108 -2.6602 O 0 0 0
- 4.2134 -0.8445 0.1407 C 0 0 0
- 5.5775 -0.4601 0.6529 C 0 0 0
- 3.7381 -0.2642 -0.8056 O 0 0 0
- 6.1375 0.6830 -0.1960 C 0 0 0
- 7.5225 1.0733 0.3240 C 0 0 0
- 8.0824 2.2164 -0.5250 C 0 0 0
- 9.4674 2.6068 -0.0050 C 0 0 0
- -3.8126 -1.3053 0.0000 H 0 0 0
- -2.8481 -0.7646 0.0000 H 0 0 0
- -4.5101 0.3883 0.0000 H 0 0 0
- -5.4746 -0.1523 0.0000 H 0 0 0
- -5.7759 -2.5703 0.0000 H 0 0 0
- -4.8114 -2.0297 0.0000 H 0 0 0
- -6.4734 -0.8767 0.0000 H 0 0 0
- -7.4379 -1.4174 0.0000 H 0 0 0
- -8.3149 -2.1702 0.0000 H 0 0 0
- -8.3469 -3.5400 0.0000 H 0 0 0
- -6.9771 -3.5720 0.0000 H 0 0 0
- 0.0234 3.1666 0.0000 H 0 0 0
- -4.9079 3.4456 0.0000 H 0 0 0
- -2.3143 5.2497 0.0000 H 0 0 0
- -1.2097 -2.9472 0.0000 H 0 0 0
- 3.3360 -2.9163 0.0000 H 0 0 0
- 4.3495 -2.2935 0.0000 H 0 0 0
- 2.6985 -3.6950 0.0000 H 0 0 0
- 0.5934 -4.9741 0.0000 H 0 0 0
- 5.6078 -1.4284 0.0000 H 0 0 0
- 6.5246 -0.6641 0.0000 H 0 0 0
- 6.1072 1.6513 0.0000 H 0 0 0
- 5.1904 0.8870 0.0000 H 0 0 0
- 7.5528 0.1050 0.0000 H 0 0 0
- 8.4696 0.8694 0.0000 H 0 0 0
- 8.0520 3.1847 0.0000 H 0 0 0
- 7.1353 2.4203 0.0000 H 0 0 0
- 9.7302 1.6743 0.0000 H 0 0 0
- 10.3999 2.8696 0.0000 H 0 0 0
- 9.2046 3.5393 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 6 2 0
- 12 7 1 0
- 13 8 1 0
- 14 8 2 0
- 15 9 1 0
- 16 10 2 0
- 17 10 1 0
- 18 11 1 0
- 19 13 1 0
- 20 15 2 0
- 21 15 1 0
- 22 19 2 0
- 23 20 1 0
- 24 21 2 0
- 25 23 1 0
- 26 23 2 0
- 27 24 1 0
- 28 25 1 0
- 29 28 1 0
- 30 28 2 0
- 31 29 1 0
- 32 31 1 0
- 33 32 1 0
- 34 33 1 0
- 11 14 1 0
- 19 20 1 0
- 24 26 1 0
- 1 35 1 0
- 1 36 1 0
- 2 37 1 0
- 2 38 1 0
- 4 39 1 0
- 4 40 1 0
- 7 41 1 0
- 7 42 1 0
- 12 43 1 0
- 12 44 1 0
- 12 45 1 0
- 14 46 1 0
- 17 47 1 0
- 18 48 1 0
- 21 49 1 0
- 25 50 1 0
- 25 51 1 0
- 26 52 1 0
- 27 53 1 0
- 29 54 1 0
- 29 55 1 0
- 31 56 1 0
- 31 57 1 0
- 32 58 1 0
- 32 59 1 0
- 33 60 1 0
- 33 61 1 0
- 34 62 1 0
- 34 63 1 0
- 34 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104-91-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.9569 -0.2720 0.0023 C 0 0 0
- -0.0908 -1.3882 0.0013 C 0 0 0
- -0.4143 1.0321 0.0019 C 0 0 0
- -2.2781 -0.4485 -0.0020 N 0 0 0
- 1.2575 -1.1981 0.0000 C 0 0 0
- 0.9370 1.2027 0.0007 C 0 0 0
- -3.0214 0.5164 -0.0011 O 0 0 0
- 1.7845 0.0943 -0.0003 C 0 0 0
- 3.1267 0.2736 -0.0016 O 0 0 0
- -0.4748 -2.3348 0.0000 H 0 0 0
- -1.0334 1.8447 0.0000 H 0 0 0
- 1.8853 -2.0039 0.0000 H 0 0 0
- 1.3312 2.1451 0.0000 H 0 0 0
- 4.1392 0.4089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53473-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.3668 0.6534 0.0023 C 0 0 0
- 0.0870 -0.7325 0.0002 C 0 0 0
- 2.1390 0.6948 0.0012 S 0 0 0
- -0.6325 1.6034 -0.0004 C 0 0 0
- -1.2754 -1.1106 0.0000 C 0 0 0
- 1.2860 -1.5487 -0.0018 C 0 0 0
- 2.4547 -0.9841 -0.0017 N 0 0 0
- -1.9434 1.2100 -0.0052 C 0 0 0
- -2.2594 -0.1494 0.0018 C 0 0 0
- -3.6027 -0.5420 0.0016 N 0 0 0
- -0.3888 2.6243 0.0000 H 0 0 0
- -1.5366 -2.1272 0.0000 H 0 0 0
- 1.2086 -2.5955 0.0000 H 0 0 0
- -2.7087 1.9284 0.0000 H 0 0 0
- -4.3614 0.1833 0.0000 H 0 0 0
- -3.8514 -1.5617 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 2 0
- 8 9 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -1.7790 -1.8213 -0.1788 O 0 0 0
- -0.9811 -3.0022 -0.0750 C 0 0 0
- -0.9468 -0.7654 0.0257 C 0 0 0
- -1.4450 0.5333 -0.0155 C 0 0 0
- 0.3980 -0.9805 0.2811 C 0 0 0
- -2.7652 0.7493 -0.2598 O 0 0 0
- -0.5929 1.6059 0.1934 C 0 0 0
- 1.2427 0.0940 0.4887 C 0 0 0
- -2.9631 2.1643 -0.2385 C 0 0 0
- 0.7488 1.3845 0.4421 C 0 0 0
- 2.7050 -0.1418 0.7663 C 0 0 0
- 3.4657 -0.1661 -0.5343 C 0 0 0
- 4.4227 0.7021 -0.7497 C 0 0 0
- -1.8305 -3.5761 0.0000 H 0 0 0
- -0.4072 -3.8516 0.0000 H 0 0 0
- -0.1317 -2.4283 0.0000 H 0 0 0
- 0.7715 -1.9351 0.0000 H 0 0 0
- -0.9616 2.5624 0.0000 H 0 0 0
- -1.9479 2.3063 0.0000 H 0 0 0
- -3.1051 3.1795 0.0000 H 0 0 0
- -3.9783 2.0223 0.0000 H 0 0 0
- 1.3969 2.1787 0.0000 H 0 0 0
- 2.0921 -0.9635 0.0000 H 0 0 0
- 3.1500 -1.0653 0.0000 H 0 0 0
- 3.8195 -1.1282 0.0000 H 0 0 0
- 5.3988 0.3890 0.0000 H 0 0 0
- 4.2058 1.7040 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 1 0
- 10 7 2 0
- 11 8 1 0
- 12 11 1 0
- 13 12 2 0
- 8 10 1 0
- 2 14 1 0
- 2 15 1 0
- 2 16 1 0
- 5 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-932-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.9646 0.0000 0.0032 C 0 0 0
- -0.2894 -1.2163 0.0020 C 0 0 0
- -0.2894 1.2163 0.0025 C 0 0 0
- -2.2146 0.0000 -0.0004 N 0 3 0
- 1.0710 -1.2610 0.0002 C 0 0 0
- 1.0710 1.2610 0.0007 C 0 0 0
- -3.3386 0.0000 -0.0037 N 0 5 0
- 1.8248 0.0000 -0.0005 C 0 0 0
- 3.0435 0.0000 -0.0026 O 0 0 0
- -0.8216 -2.0874 0.0000 H 0 0 0
- -0.8216 2.0874 0.0000 H 0 0 0
- 1.5600 -2.1571 0.0000 H 0 0 0
- 1.5600 2.1571 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 2 0
- 5 8 1 0
- 8 9 2 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26444-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- 0.2312 -1.1681 0.2030 P 0 0 0
- -1.0426 -2.1432 0.3393 O 0 0 0
- 0.2563 -0.1414 1.4429 O 0 0 0
- 1.5812 -2.0454 0.2052 O 0 0 0
- 0.1381 -0.4092 -1.0642 O 0 0 0
- -2.1490 -1.3637 0.2159 C 0 0 0
- 0.1296 1.1072 0.9216 C 0 0 0
- 2.6033 -1.1941 -0.0732 C 0 0 0
- -2.5228 -0.8801 -1.0293 C 0 0 0
- -2.9097 -1.0548 1.3345 C 0 0 0
- -1.1192 1.7082 0.8530 C 0 0 0
- 1.2491 1.7853 0.4623 C 0 0 0
- 3.3702 -0.6685 0.9568 C 0 0 0
- 2.8852 -0.8535 -1.3880 C 0 0 0
- -3.6480 -0.0878 -1.1521 C 0 0 0
- -4.0337 -0.2623 1.2064 C 0 0 0
- -1.2454 2.9773 0.3227 C 0 0 0
- 1.1176 3.0546 -0.0673 C 0 0 0
- 4.4084 0.1965 0.6712 C 0 0 0
- 3.9249 0.0122 -1.6684 C 0 0 0
- -4.4008 0.2236 -0.0352 C 0 0 0
- -4.0547 0.4379 -2.5046 C 0 0 0
- -0.1285 3.6489 -0.1397 C 0 0 0
- 4.6838 0.5389 -0.6400 C 0 0 0
- -1.8615 -0.1886 0.0000 H 0 0 0
- -3.3683 -1.8945 0.0000 H 0 0 0
- -1.9031 1.1595 0.0000 H 0 0 0
- 2.1058 1.3593 0.0000 H 0 0 0
- 3.9475 -1.4315 0.0000 H 0 0 0
- 2.2076 -0.1779 0.0000 H 0 0 0
- -4.6990 -0.9499 0.0000 H 0 0 0
- -2.1005 3.4065 0.0000 H 0 0 0
- 1.8994 3.6062 0.0000 H 0 0 0
- 5.0908 -0.4742 0.0000 H 0 0 0
- 3.3455 0.7736 0.0000 H 0 0 0
- -5.1578 0.8087 0.0000 H 0 0 0
- -3.2979 1.0234 0.0000 H 0 0 0
- -4.6402 1.1947 0.0000 H 0 0 0
- -4.8115 -0.1476 0.0000 H 0 0 0
- -0.1746 4.6046 0.0000 H 0 0 0
- 5.3838 1.1911 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 19 24 1 0
- 16 21 1 0
- 18 23 2 0
- 20 24 2 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6628-97-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.4330 -1.4512 0.9348 O 0 0 0
- 0.2835 -0.5226 0.6209 C 0 0 0
- 1.6869 -0.7660 0.2261 C 0 0 0
- -0.2456 0.8634 0.6251 C 0 0 0
- 2.5008 0.3225 -0.1341 C 0 0 0
- 2.2083 -2.0551 0.2079 C 0 0 0
- -1.5539 1.0930 0.9868 N 0 0 0
- 0.5468 1.9051 0.2758 C 0 0 0
- 1.9390 1.6922 -0.1118 C 0 0 0
- 3.8206 0.1021 -0.5057 C 0 0 0
- 3.5271 -2.2584 -0.1653 C 0 0 0
- -2.5896 0.4639 0.2951 C 0 0 0
- 2.6357 2.6403 -0.4219 O 0 0 0
- 4.3267 -1.1885 -0.5193 C 0 0 0
- -3.7239 0.0379 0.9758 C 0 0 0
- -2.4920 0.2669 -1.0775 C 0 0 0
- -4.7471 -0.5840 0.2878 C 0 0 0
- -3.5190 -0.3555 -1.7586 C 0 0 0
- -4.6442 -0.7830 -1.0768 C 0 0 0
- 1.5899 -2.8361 0.0000 H 0 0 0
- -1.7382 2.0720 0.0000 H 0 0 0
- 0.1732 2.8286 0.0000 H 0 0 0
- 4.4480 0.8759 0.0000 H 0 0 0
- 3.9040 -3.1806 0.0000 H 0 0 0
- 5.3140 -1.3216 0.0000 H 0 0 0
- -4.1596 0.9338 0.0000 H 0 0 0
- -1.5354 -0.0113 0.0000 H 0 0 0
- -5.7062 -0.3147 0.0000 H 0 0 0
- -3.0821 -1.2508 0.0000 H 0 0 0
- -5.0000 -1.7135 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 9 2 0
- 14 10 2 0
- 15 12 2 0
- 16 12 1 0
- 17 15 1 0
- 18 16 2 0
- 19 17 2 0
- 8 9 1 0
- 11 14 1 0
- 18 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1836-77-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.1152 -0.0143 0.9603 C 0 0 0
- 0.0773 -0.0282 1.8383 O 0 0 0
- 1.6450 1.1940 0.5295 C 0 0 0
- 1.6505 -1.2087 0.4977 C 0 0 0
- -1.0627 -0.0178 1.0990 C 0 0 0
- 2.7009 1.2055 -0.3632 C 0 0 0
- 0.9821 2.6896 1.1104 Cl 0 0 0
- 2.7061 -1.1921 -0.3947 C 0 0 0
- 0.9951 -2.7221 1.0398 Cl 0 0 0
- -2.2996 -0.0281 1.7285 C 0 0 0
- -0.9924 0.0088 -0.2863 C 0 0 0
- 3.2292 0.0140 -0.8269 C 0 0 0
- -3.4568 -0.0171 0.9747 C 0 0 0
- -2.1530 0.0198 -1.0356 C 0 0 0
- 4.5549 0.0317 -1.9476 Cl 0 0 0
- -3.3838 0.0042 -0.4062 C 0 0 0
- -4.6257 0.0155 -1.2115 N 0 3 0
- -4.5627 0.0342 -2.4278 O 0 0 0
- -5.7106 0.0060 -0.6580 O 0 5 0
- 3.1858 1.9599 0.0000 H 0 0 0
- 3.2041 -1.9380 0.0000 H 0 0 0
- -2.3001 -0.9249 0.0000 H 0 0 0
- -0.1094 0.1659 0.0000 H 0 0 0
- -4.3452 -0.1398 0.0000 H 0 0 0
- -2.1544 0.9166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 12 1 0
- 14 16 2 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-523-50-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 22 1 V2000
- 0.2705 -0.1024 -0.0023 C 0 0 0
- -1.0714 -0.5000 -0.0015 C 0 0 0
- 0.5739 1.2677 -0.0006 C 0 0 0
- 1.2668 -1.0113 0.0008 O 0 0 0
- -2.0904 0.4640 0.0012 C 0 0 0
- -1.7559 -1.7976 -0.0027 C 0 0 0
- -0.4597 2.2177 0.0016 C 0 0 0
- 1.9781 1.6831 -0.0015 C 0 0 0
- 2.5562 -0.6403 0.0004 C 0 0 0
- -1.7622 1.8211 0.0022 C 0 0 0
- -3.2652 -0.1968 0.0014 O 0 0 0
- -3.0685 -1.5266 -0.0008 C 0 0 0
- 2.9340 0.7181 -0.0040 C 0 0 0
- 3.4213 -1.4978 0.0037 O 0 0 0
- -1.3146 -2.7329 0.0000 H 0 0 0
- -0.2301 3.2261 0.0000 H 0 0 0
- 2.2352 2.6848 0.0000 H 0 0 0
- -2.5145 2.5307 0.0000 H 0 0 0
- -3.8202 -2.2368 0.0000 H 0 0 0
- 3.9348 0.9787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 9 14 2 0
- 7 10 2 0
- 9 13 1 0
- 11 12 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2478-38-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.8718 1.2116 0.0018 C 0 0 0
- -1.5807 0.0120 0.0009 C 0 0 0
- 0.5091 1.1996 0.0017 C 0 0 0
- -1.5407 2.3957 -0.0030 O 0 0 0
- -0.8999 -1.2033 0.0000 C 0 0 0
- -2.9390 0.0277 0.0015 O 0 0 0
- 1.1969 -0.0201 0.0007 C 0 0 0
- -0.5528 3.4282 -0.0007 C 0 0 0
- 0.4813 -1.2232 -0.0001 C 0 0 0
- -1.5960 -2.3717 -0.0004 O 0 0 0
- 2.6655 -0.0370 0.0001 C 0 0 0
- -0.6322 -3.4267 -0.0014 C 0 0 0
- 3.4038 -1.3508 -0.0009 C 0 0 0
- 3.2840 1.0063 0.0004 O 0 0 0
- 1.0400 2.0996 0.0000 H 0 0 0
- -3.9838 0.0398 0.0000 H 0 0 0
- 0.2022 2.7058 0.0000 H 0 0 0
- 0.1696 4.1832 0.0000 H 0 0 0
- -1.3078 4.1506 0.0000 H 0 0 0
- 0.9913 -2.1352 0.0000 H 0 0 0
- -1.4036 -4.1315 0.0000 H 0 0 0
- 0.0726 -4.1981 0.0000 H 0 0 0
- 0.1392 -2.7219 0.0000 H 0 0 0
- 2.4929 -1.8627 0.0000 H 0 0 0
- 3.9157 -2.2617 0.0000 H 0 0 0
- 4.3147 -0.8389 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 7 9 2 0
- 3 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109143-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.5312 0.0037 -0.2842 C 0 0 0
- -1.9040 0.3644 1.0210 C 0 0 0
- -0.1841 -0.1324 -0.6169 C 0 0 0
- -2.7900 -0.1544 -1.0227 C 0 0 0
- -3.2520 0.4200 1.0511 O 0 0 0
- -0.9195 0.5839 1.9765 C 0 0 0
- 0.7825 0.0901 0.3474 C 0 0 0
- -3.7714 0.1097 -0.1494 C 0 0 0
- 0.4096 0.4478 1.6416 C 0 0 0
- 2.1369 -0.0446 0.0228 N 0 0 0
- -5.2176 0.0718 -0.4628 N 0 3 0
- 2.8581 -1.2680 0.3825 C 0 0 0
- 2.8337 1.0377 -0.6766 C 0 0 0
- -6.0353 0.3286 0.4026 O 0 0 0
- -5.5899 -0.2163 -1.5862 O 0 5 0
- 2.3916 -2.4171 -0.5135 C 0 0 0
- 3.2967 2.0854 0.3377 C 0 0 0
- 3.2792 -3.9228 -0.0709 Cl 0 0 0
- 4.1543 3.4174 -0.5232 Cl 0 0 0
- -0.1251 -1.0714 0.0000 H 0 0 0
- -2.8548 -1.0930 0.0000 H 0 0 0
- -0.9747 1.5231 0.0000 H 0 0 0
- 0.8046 1.3017 0.0000 H 0 0 0
- 3.6329 -1.8017 0.0000 H 0 0 0
- 3.5464 -0.6266 0.0000 H 0 0 0
- 3.3070 0.2246 0.0000 H 0 0 0
- 3.7731 1.0899 0.0000 H 0 0 0
- 1.6168 -1.8834 0.0000 H 0 0 0
- 1.7033 -3.0585 0.0000 H 0 0 0
- 2.8234 2.8985 0.0000 H 0 0 0
- 2.3573 2.0332 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 5 8 1 0
- 7 9 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-488-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5742 0.2651 -0.0032 C 0 0 0
- -0.4864 -0.5684 -0.0020 C 0 0 0
- 0.3648 1.7258 -0.0019 C 0 0 0
- 2.3295 -0.4385 0.0013 Br 0 0 0
- -0.2780 -2.0221 -0.0034 C 0 0 0
- -2.2417 0.1351 0.0013 Br 0 0 0
- -0.7625 2.1776 0.0002 O 0 0 0
- 1.4245 2.5584 -0.0031 O 0 0 0
- -1.2315 -2.7712 -0.0023 O 0 0 0
- 0.7027 -2.4152 0.0000 H 0 0 0
- 2.2553 3.2112 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 5 2 0
- 5 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13395-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -0.4312 0.5094 0.0324 C 0 0 0
- -0.7889 -0.8347 0.0127 C 0 0 0
- 1.0029 0.8013 0.0273 C 0 0 0
- -1.4605 1.4570 0.0496 C 0 0 0
- 0.1043 -1.9127 -0.0137 C 0 0 0
- -2.1118 -1.2948 0.0167 C 0 0 0
- 1.9015 -0.2961 -0.0006 C 0 0 0
- 1.4922 2.1060 0.0491 C 0 0 0
- -2.7862 1.0179 0.0489 C 0 0 0
- -1.4484 2.8173 0.0678 O 0 0 0
- 1.4383 -1.6325 -0.0211 C 0 0 0
- -0.6699 -3.0706 -0.0259 N 0 0 0
- -3.1168 -0.3357 0.0405 C 0 0 0
- -1.9901 -2.7549 -0.0083 C 0 0 0
- 3.2868 -0.0323 -0.0073 C 0 0 0
- 2.8397 2.3317 0.0430 C 0 0 0
- -3.6003 2.1173 0.0682 O 0 0 0
- -2.7697 3.2204 -0.3368 C 0 0 0
- -2.9136 -3.5480 -0.0125 O 0 0 0
- 3.7355 1.2703 0.0147 C 0 0 0
- 4.1757 -1.0586 -0.0351 O 0 0 0
- 5.4802 -0.4754 -0.0349 C 0 0 0
- 0.8285 2.9118 0.0000 H 0 0 0
- 2.1283 -2.4159 0.0000 H 0 0 0
- -0.2891 -4.0426 0.0000 H 0 0 0
- -4.1187 -0.6288 0.0000 H 0 0 0
- 3.1995 3.3116 0.0000 H 0 0 0
- -2.3512 4.1767 0.0000 H 0 0 0
- -3.6709 3.7472 0.0000 H 0 0 0
- 4.7617 1.4619 0.0000 H 0 0 0
- 5.9063 -1.4284 0.0000 H 0 0 0
- 6.4332 -0.0493 0.0000 H 0 0 0
- 5.0541 0.4776 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 14 19 2 0
- 15 20 2 0
- 15 21 1 0
- 21 22 1 0
- 7 11 1 0
- 9 13 1 0
- 12 14 1 0
- 16 20 1 0
- 17 18 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 16 27 1 0
- 18 28 1 0
- 18 29 1 0
- 20 30 1 0
- 22 31 1 0
- 22 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21362-69-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 73 1 V2000
- -0.8763 1.2894 0.0224 C 0 0 2
- -1.4793 -0.1042 0.2415 C 0 0 1
- 0.4975 1.2976 0.6662 C 0 0 1
- -1.7834 2.3204 0.7001 C 0 0 0
- -2.8673 -0.1816 -0.4011 C 0 0 2
- -0.5870 -1.2016 -0.3298 C 0 0 0
- 1.3663 0.2767 -0.1177 C 0 0 2
- 1.3050 2.5885 0.4913 C 0 0 0
- -3.1574 2.2770 0.0347 C 0 0 0
- -3.7867 0.8902 0.1974 C 0 0 1
- -3.4639 -1.5479 -0.0646 C 0 0 0
- -2.7572 0.0054 -1.9157 C 0 0 0
- 0.8455 -1.1062 0.2209 C 0 0 0
- 2.7845 0.5991 0.3407 C 0 0 2
- 1.2357 0.5288 -1.6211 C 0 0 0
- 2.7703 2.1101 0.6824 C 0 0 0
- -5.0954 0.8745 -0.5920 C 0 0 0
- -4.9073 -1.6947 -0.4514 C 0 0 2
- 3.6975 0.3620 -0.7327 O 0 0 0
- -5.7330 -0.4780 -0.6942 C 0 0 1
- -5.9794 -1.2241 0.9377 S 0 0 0
- 4.7431 -0.4608 -0.2115 C 0 0 0
- 5.4589 0.2641 0.9417 C 0 0 0
- 4.1506 -1.7555 0.3821 C 0 0 0
- 5.6774 -0.7779 -1.2452 O 0 0 0
- 5.2764 -0.6155 2.1959 C 0 0 0
- 5.0235 -2.0352 1.6306 C 0 0 0
- 5.0064 -0.5629 -2.4885 C 0 0 0
- -0.4496 2.2407 0.0000 H 0 0 0
- -1.9008 -1.0578 0.0000 H 0 0 0
- 0.0630 0.3498 0.0000 H 0 0 0
- -0.8642 2.8125 0.0000 H 0 0 0
- -2.0530 3.3276 0.0000 H 0 0 0
- -1.5131 -1.6805 0.0000 H 0 0 0
- -0.3070 -2.2059 0.0000 H 0 0 0
- 1.7079 3.5501 0.0000 H 0 0 0
- 0.3792 3.0680 0.0000 H 0 0 0
- -3.0316 3.3120 0.0000 H 0 0 0
- -4.1613 2.5586 0.0000 H 0 0 0
- -4.2165 -0.0597 0.0000 H 0 0 0
- -3.5365 -2.5880 0.0000 H 0 0 0
- -2.4513 -1.7964 0.0000 H 0 0 0
- -1.8587 -0.5236 0.0000 H 0 0 0
- -2.2282 0.9039 0.0000 H 0 0 0
- -3.6557 0.5344 0.0000 H 0 0 0
- 0.7666 -2.1458 0.0000 H 0 0 0
- 1.8635 -1.3316 0.0000 H 0 0 0
- 2.7686 -0.4434 0.0000 H 0 0 0
- 2.1615 1.0084 0.0000 H 0 0 0
- 0.7561 1.4546 0.0000 H 0 0 0
- 0.3099 0.0492 0.0000 H 0 0 0
- 3.8078 2.0071 0.0000 H 0 0 0
- 2.9848 3.1304 0.0000 H 0 0 0
- -4.9511 1.9071 0.0000 H 0 0 0
- -6.0946 1.1723 0.0000 H 0 0 0
- -5.0694 -2.7246 0.0000 H 0 0 0
- -6.7013 -0.0915 0.0000 H 0 0 0
- 6.4931 0.3967 0.0000 H 0 0 0
- 4.9964 1.1985 0.0000 H 0 0 0
- 3.1861 -1.3596 0.0000 H 0 0 0
- 3.7933 -2.7350 0.0000 H 0 0 0
- 4.4917 0.0710 0.0000 H 0 0 0
- 4.2927 -0.9611 0.0000 H 0 0 0
- 4.7499 -3.0413 0.0000 H 0 0 0
- 6.0408 -2.2636 0.0000 H 0 0 0
- 5.3245 0.4300 0.0000 H 0 0 0
- 4.0135 -0.2448 0.0000 H 0 0 0
- 4.6883 -1.5558 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 22 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 7 13 1 0
- 9 10 1 0
- 14 16 1 0
- 18 20 1 0
- 20 21 1 0
- 26 27 1 0
- 1 29 1 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 6 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 11 41 1 0
- 11 42 1 0
- 12 43 1 0
- 12 44 1 0
- 12 45 1 0
- 13 46 1 0
- 13 47 1 0
- 14 48 1 0
- 15 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 17 54 1 0
- 17 55 1 0
- 18 56 1 0
- 20 57 1 0
- 23 58 1 0
- 23 59 1 0
- 24 60 1 0
- 24 61 1 0
- 26 62 1 0
- 26 63 1 0
- 27 64 1 0
- 27 65 1 0
- 28 66 1 0
- 28 67 1 0
- 28 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7227-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -2.1408 -0.0135 0.0037 C 0 0 0
- -1.6286 -1.2984 0.0031 C 0 0 0
- -1.2893 1.0772 0.0030 C 0 0 0
- -3.6061 0.1957 -0.0011 N 0 3 0
- -0.2635 -1.5002 0.0018 C 0 0 0
- 0.0773 0.8891 0.0018 C 0 0 0
- -4.0599 1.3259 -0.0007 O 0 0 0
- -4.3580 -0.7625 -0.0056 O 0 5 0
- 0.6005 -0.4047 0.0011 C 0 0 0
- 1.9588 -0.5986 0.0003 N 0 0 0
- 2.7552 0.4163 -0.0004 N 0 0 0
- 4.1421 0.2183 -0.0012 N 0 0 0
- 4.6880 -1.1412 -0.0013 C 0 0 0
- 5.0465 1.3708 -0.0020 C 0 0 0
- -2.2722 -2.1123 0.0000 H 0 0 0
- -1.6795 2.0386 0.0000 H 0 0 0
- 0.1196 -2.4645 0.0000 H 0 0 0
- 0.7148 1.7078 0.0000 H 0 0 0
- 3.7251 -1.5278 0.0000 H 0 0 0
- 5.0746 -2.1041 0.0000 H 0 0 0
- 5.6509 -0.7546 0.0000 H 0 0 0
- 5.8628 0.7302 0.0000 H 0 0 0
- 5.6871 2.1871 0.0000 H 0 0 0
- 4.2302 2.0114 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 6 9 1 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-194-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 1.0497 -0.4982 0.0021 C 0 0 0
- -0.2559 0.0457 0.0014 C 0 0 0
- 2.2324 0.3603 0.0009 C 0 0 0
- 1.2220 -1.8957 -0.0019 C 0 0 0
- -1.3607 -0.8297 0.0020 C 0 0 0
- -0.4609 1.4403 -0.0005 C 0 0 0
- 3.5115 -0.2438 0.0012 C 0 0 0
- 2.1248 1.7544 -0.0001 C 0 0 0
- 0.0929 -2.7392 -0.0067 C 0 0 0
- 2.5259 -2.4408 -0.0017 C 0 0 0
- -2.7088 -0.2569 0.0012 C 0 0 0
- -1.1602 -2.2187 0.0030 C 0 0 0
- -1.7028 1.9716 -0.0017 C 0 0 0
- 3.6210 -1.6519 0.0031 C 0 0 0
- 4.6525 0.5718 0.0001 C 0 0 0
- 3.2550 2.5192 -0.0007 C 0 0 0
- -2.8513 1.1497 -0.0002 C 0 0 0
- -3.8469 -1.0678 0.0013 C 0 0 0
- 4.5140 1.9282 -0.0013 C 0 0 0
- -4.1388 1.7070 -0.0010 C 0 0 0
- -5.0857 -0.4942 0.0000 C 0 0 0
- -5.2297 0.8889 -0.0005 C 0 0 0
- 0.3729 2.0824 0.0000 H 0 0 0
- 1.1769 2.2116 0.0000 H 0 0 0
- 0.2230 -3.7835 0.0000 H 0 0 0
- 2.6458 -3.4863 0.0000 H 0 0 0
- -1.9914 -2.8641 0.0000 H 0 0 0
- -1.8167 3.0178 0.0000 H 0 0 0
- 4.5756 -2.0949 0.0000 H 0 0 0
- 5.6116 0.1386 0.0000 H 0 0 0
- 3.1730 3.5684 0.0000 H 0 0 0
- -3.7495 -2.1157 0.0000 H 0 0 0
- 5.3724 2.5370 0.0000 H 0 0 0
- -4.2621 2.7521 0.0000 H 0 0 0
- -5.9419 -1.1061 0.0000 H 0 0 0
- -6.1941 1.3101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 2 0
- 11 18 1 0
- 15 19 2 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 9 12 2 0
- 10 14 2 0
- 13 17 1 0
- 16 19 1 0
- 21 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1319-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 18 1 V2000
- -3.7727 -1.1259 -0.0614 P 0 0 0
- -4.7452 -0.0074 0.5672 O 0 0 0
- -2.6502 -1.3827 0.8684 O 0 0 0
- -4.5999 -2.4876 -0.2930 O 0 0 0
- -3.1939 -0.6035 -1.4700 O 0 0 0
- -5.8030 0.1952 -0.3720 C 0 0 0
- -6.7683 1.2526 0.1674 C 0 0 0
- -7.9009 1.4696 -0.8382 C 0 0 0
- -7.3143 0.8089 1.4112 O 0 0 0
- -8.8025 2.4572 -0.3344 O 0 0 0
- 6.7202 0.0155 0.1040 K 0 3 0
- 15.3669 0.4775 -0.0417 K 0 3 0
- -6.5891 -0.1655 0.0000 H 0 0 0
- -5.6991 -0.6634 0.0000 H 0 0 0
- -6.3460 2.0074 0.0000 H 0 0 0
- -8.6870 1.1089 0.0000 H 0 0 0
- -7.7970 0.6110 0.0000 H 0 0 0
- -7.9855 0.2634 0.0000 H 0 0 0
- -9.3856 3.0960 0.0000 H 0 0 0
- -5.0489 -3.2268 0.0000 H 0 0 0
- -2.5518 -0.0240 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 8 10 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 4 20 1 0
- 5 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-143-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- 0.0000 -0.4655 -0.0051 N 0 0 0
- -1.1786 0.4113 0.0045 C 0 0 0
- 1.1786 0.4113 0.0045 C 0 0 0
- -2.4488 -0.4416 -0.0048 C 0 0 0
- 2.4488 -0.4416 -0.0048 C 0 0 0
- -3.6763 0.4717 0.0051 C 0 0 0
- 3.6763 0.4717 0.0051 C 0 0 0
- -4.9465 -0.3812 -0.0041 C 0 0 0
- 4.9465 -0.3812 -0.0041 C 0 0 0
- -6.1740 0.5321 0.0058 C 0 0 0
- 6.1740 0.5321 0.0058 C 0 0 0
- -7.4443 -0.3208 -0.0035 C 0 0 0
- 7.4443 -0.3208 -0.0035 C 0 0 0
- 0.0000 -1.6130 0.0000 H 0 0 0
- -0.3940 1.2486 0.0000 H 0 0 0
- -1.9219 1.2855 0.0000 H 0 0 0
- 1.9219 1.2855 0.0000 H 0 0 0
- 0.3940 1.2486 0.0000 H 0 0 0
- -3.2334 -1.2789 0.0000 H 0 0 0
- -1.7055 -1.3158 0.0000 H 0 0 0
- 1.7055 -1.3158 0.0000 H 0 0 0
- 3.2334 -1.2789 0.0000 H 0 0 0
- -2.8917 1.3090 0.0000 H 0 0 0
- -4.4196 1.3459 0.0000 H 0 0 0
- 4.4196 1.3459 0.0000 H 0 0 0
- 2.8917 1.3090 0.0000 H 0 0 0
- -5.7311 -1.2185 0.0000 H 0 0 0
- -4.2032 -1.2554 0.0000 H 0 0 0
- 4.2032 -1.2554 0.0000 H 0 0 0
- 5.7311 -1.2185 0.0000 H 0 0 0
- -5.3894 1.3694 0.0000 H 0 0 0
- -6.9172 1.4064 0.0000 H 0 0 0
- 6.9172 1.4064 0.0000 H 0 0 0
- 5.3894 1.3694 0.0000 H 0 0 0
- -8.0839 0.6319 0.0000 H 0 0 0
- -8.3970 -0.9604 0.0000 H 0 0 0
- -6.8047 -1.2735 0.0000 H 0 0 0
- 6.8047 -1.2735 0.0000 H 0 0 0
- 8.3970 -0.9604 0.0000 H 0 0 0
- 8.0839 0.6319 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 13 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2872-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.4706 0.5634 0.1111 C 0 0 0
- -0.3376 -0.8448 0.0973 C 0 0 0
- 0.7300 1.4081 0.2243 C 0 0 0
- -1.7372 1.1392 0.0117 C 0 0 0
- 0.9973 -1.4506 0.1960 C 0 0 0
- -1.4780 -1.6486 -0.0108 C 0 0 0
- 2.0617 0.7996 0.0154 C 0 0 0
- 0.6279 2.5915 0.4858 O 0 0 0
- -2.8711 0.3149 -0.1018 C 0 0 0
- -1.8778 2.5186 0.0252 N 0 0 0
- 2.1926 -0.6012 0.0017 C 0 0 0
- 1.1181 -2.6374 0.4353 O 0 0 0
- -2.7391 -1.0576 -0.1046 C 0 0 0
- -1.3555 -3.0293 -0.0250 N 0 0 0
- 3.1853 1.5996 -0.1684 C 0 0 0
- -4.1041 0.8740 -0.1993 O 0 0 0
- 3.4447 -1.1749 -0.1950 C 0 0 0
- 4.4225 1.0126 -0.3631 C 0 0 0
- -5.0388 -0.2022 -0.3000 C 0 0 0
- 4.5514 -0.3649 -0.3758 C 0 0 0
- -1.0331 3.1282 0.0000 H 0 0 0
- -2.8281 2.9453 0.0000 H 0 0 0
- -3.5904 -1.6580 0.0000 H 0 0 0
- -2.2081 -3.6278 0.0000 H 0 0 0
- -0.4109 -3.4684 0.0000 H 0 0 0
- 3.0939 2.6373 0.0000 H 0 0 0
- 3.5498 -2.2113 0.0000 H 0 0 0
- 5.2760 1.6098 0.0000 H 0 0 0
- -5.8253 0.4809 0.0000 H 0 0 0
- -5.7219 -0.9887 0.0000 H 0 0 0
- -4.2523 -0.8853 0.0000 H 0 0 0
- 5.5014 -0.7924 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 2 0
- 7 11 2 0
- 9 13 2 0
- 18 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6264-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.5692 -0.3494 0.8037 C 0 0 0
- -3.1051 -0.3989 -0.4831 C 0 0 0
- -1.4159 0.3810 1.0434 C 0 0 0
- -3.1982 -1.0314 1.8522 N 0 0 0
- -2.4833 0.2820 -1.5177 C 0 0 0
- -4.2719 -1.1373 -0.7299 N 0 0 0
- -0.7978 1.0606 0.0037 C 0 0 0
- -1.3326 1.0098 -1.2748 C 0 0 0
- 0.3334 1.7775 0.2386 O 0 0 0
- 1.3771 0.9135 0.1245 C 0 0 0
- 2.6585 1.3264 0.4586 C 0 0 0
- 1.1590 -0.3824 -0.3206 C 0 0 0
- 3.7192 0.4493 0.3430 C 0 0 0
- 2.2184 -1.2604 -0.4367 C 0 0 0
- 3.5026 -0.8460 -0.1078 C 0 0 0
- 4.5767 -1.7349 -0.2256 N 0 0 0
- -0.7665 -0.3921 0.0000 H 0 0 0
- -4.1833 -0.8097 0.0000 H 0 0 0
- -2.8977 -1.9954 0.0000 H 0 0 0
- -3.1317 1.0560 0.0000 H 0 0 0
- -5.1661 -0.6684 0.0000 H 0 0 0
- -4.2309 -2.1462 0.0000 H 0 0 0
- -1.6592 1.9652 0.0000 H 0 0 0
- 2.8488 2.3180 0.0000 H 0 0 0
- 0.2126 -0.7343 0.0000 H 0 0 0
- 4.6652 0.8022 0.0000 H 0 0 0
- 2.0278 -2.2520 0.0000 H 0 0 0
- 4.4081 -2.7304 0.0000 H 0 0 0
- 5.5231 -1.3831 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 15 16 1 0
- 7 8 2 0
- 14 15 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3268-49-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 1.0191 -0.5402 -0.2113 C 0 0 0
- -0.1510 0.4451 -0.1783 C 0 0 0
- 2.3060 0.2151 -0.4222 C 0 0 0
- -1.7000 -0.4640 0.0756 S 0 0 0
- 3.1848 0.1530 0.4037 O 0 0 0
- -2.8787 0.9148 0.0722 C 0 0 0
- 0.1856 -1.3285 0.0000 H 0 0 0
- 1.7080 -1.4576 0.0000 H 0 0 0
- 0.6825 1.2334 0.0000 H 0 0 0
- -0.8399 1.3625 0.0000 H 0 0 0
- 2.0443 1.3321 0.0000 H 0 0 0
- -2.0067 1.6603 0.0000 H 0 0 0
- -3.6242 1.7868 0.0000 H 0 0 0
- -3.7507 0.1693 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94740-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -1.2764 0.8094 -0.2379 C 0 0 2
- -2.2523 -0.2816 -0.1007 N 0 0 0
- -0.0469 0.4883 0.5721 C 0 0 0
- -1.9382 2.0885 0.3166 C 0 0 0
- -3.4720 0.2519 0.5327 C 0 0 0
- -2.0635 -1.5580 -0.4903 C 0 0 0
- 1.1650 0.8997 0.1494 N 0 0 0
- -0.1475 -0.1378 1.6005 O 0 0 0
- -3.4529 1.7680 0.2153 C 0 0 0
- -3.1552 -2.5770 -0.2876 C 0 0 0
- -1.0151 -1.8865 -1.0039 O 0 0 0
- 2.3726 0.4719 0.8598 C 0 0 0
- 1.2614 1.6701 -0.8807 N 0 0 0
- 2.8793 -0.8144 0.2599 C 0 0 0
- 2.3566 2.0418 -1.2628 O 0 0 0
- 3.9831 -1.3965 0.7542 O 0 0 0
- 2.2918 -1.3216 -0.6661 O 0 0 0
- -0.6764 1.5599 0.0000 H 0 0 0
- -1.0487 2.4519 0.0000 H 0 0 0
- -2.2205 3.0070 0.0000 H 0 0 0
- -4.4227 0.3915 0.0000 H 0 0 0
- -3.7367 -0.6718 0.0000 H 0 0 0
- -3.5820 2.7201 0.0000 H 0 0 0
- -4.4120 1.7093 0.0000 H 0 0 0
- -3.8108 -1.8746 0.0000 H 0 0 0
- -3.8576 -3.2326 0.0000 H 0 0 0
- -2.4996 -3.2794 0.0000 H 0 0 0
- 3.3245 0.6028 0.0000 H 0 0 0
- 2.4703 1.4278 0.0000 H 0 0 0
- 4.8330 -1.8447 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 2 0
- 5 9 1 0
- 1 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 12 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-514-78-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 94 95 1 V2000
- 11.4339 0.2137 -0.1905 C 0 0 0
- 12.1183 1.2977 0.5997 C 0 0 0
- 12.0193 -1.0222 -0.3473 C 0 0 0
- 10.1855 0.4640 -0.7673 C 0 0 0
- 13.6357 1.1177 0.5009 C 0 0 0
- 11.7288 2.6650 0.0341 C 0 0 0
- 11.6883 1.2099 2.0653 C 0 0 0
- 13.2623 -1.3140 0.2136 C 0 0 0
- 11.3019 -2.0825 -1.1423 C 0 0 0
- 9.0315 0.1383 -0.0835 C 0 0 0
- 14.0055 -0.2769 1.0147 C 0 0 0
- 13.7509 -2.4164 0.0548 O 0 0 0
- 7.7830 0.3885 -0.6604 C 0 0 0
- 6.6290 0.0628 0.0234 C 0 0 0
- 7.6970 1.0138 -2.0288 C 0 0 0
- 5.3806 0.3130 -0.5534 C 0 0 0
- 4.2266 -0.0126 0.1304 C 0 0 0
- 2.9782 0.2376 -0.4464 C 0 0 0
- 1.8242 -0.0881 0.2374 C 0 0 0
- 2.8921 0.8629 -1.8149 C 0 0 0
- 0.5757 0.1621 -0.3395 C 0 0 0
- -0.5783 -0.1636 0.3443 C 0 0 0
- -1.8267 0.0867 -0.2325 C 0 0 0
- -2.9807 -0.2390 0.4513 C 0 0 0
- -4.2291 0.0112 -0.1256 C 0 0 0
- -2.8946 -0.8643 1.8197 C 0 0 0
- -5.3831 -0.3145 0.5582 C 0 0 0
- -6.6316 -0.0642 -0.0186 C 0 0 0
- -7.7856 -0.3899 0.6652 C 0 0 0
- -9.0340 -0.1397 0.0884 C 0 0 0
- -7.6995 -1.0153 2.0336 C 0 0 0
- -10.1880 -0.4654 0.7722 C 0 0 0
- -11.4364 -0.2151 0.1953 C 0 0 0
- -12.2001 -1.3451 -0.4433 C 0 0 0
- -11.9545 1.0599 0.2233 C 0 0 0
- -13.0708 -0.7938 -1.5758 C 0 0 0
- -11.2157 -2.3706 -1.0093 C 0 0 0
- -13.0903 -2.0160 0.6047 C 0 0 0
- -13.1947 1.3529 -0.3429 C 0 0 0
- -11.1648 2.1625 0.8804 C 0 0 0
- -14.0099 0.2736 -1.0065 C 0 0 0
- -13.6224 2.4907 -0.3006 O 0 0 0
- 10.1486 1.4182 0.0000 H 0 0 0
- 14.5821 1.2447 0.0000 H 0 0 0
- 13.6284 2.0726 0.0000 H 0 0 0
- 12.6472 2.9266 0.0000 H 0 0 0
- 11.4672 3.5834 0.0000 H 0 0 0
- 10.8104 2.4034 0.0000 H 0 0 0
- 11.4973 2.1455 0.0000 H 0 0 0
- 10.7527 1.0189 0.0000 H 0 0 0
- 11.8793 0.2743 0.0000 H 0 0 0
- 10.5110 -1.5474 0.0000 H 0 0 0
- 10.7668 -2.8734 0.0000 H 0 0 0
- 12.0928 -2.6176 0.0000 H 0 0 0
- 9.0684 -0.8159 0.0000 H 0 0 0
- 14.6345 -0.9954 0.0000 H 0 0 0
- 14.8484 0.1718 0.0000 H 0 0 0
- 6.6659 -0.8914 0.0000 H 0 0 0
- 8.6430 1.1439 0.0000 H 0 0 0
- 7.5669 1.9598 0.0000 H 0 0 0
- 6.7510 0.8837 0.0000 H 0 0 0
- 5.3437 1.2672 0.0000 H 0 0 0
- 4.2635 -0.9668 0.0000 H 0 0 0
- 1.8611 -1.0423 0.0000 H 0 0 0
- 3.8381 0.9932 0.0000 H 0 0 0
- 2.7618 1.8089 0.0000 H 0 0 0
- 1.9461 0.7326 0.0000 H 0 0 0
- 0.5388 1.1163 0.0000 H 0 0 0
- -0.5414 -1.1178 0.0000 H 0 0 0
- -1.8636 1.0409 0.0000 H 0 0 0
- -4.2660 0.9654 0.0000 H 0 0 0
- -3.8406 -0.9946 0.0000 H 0 0 0
- -2.7643 -1.8103 0.0000 H 0 0 0
- -1.9486 -0.7340 0.0000 H 0 0 0
- -5.3462 -1.2687 0.0000 H 0 0 0
- -6.6685 0.8900 0.0000 H 0 0 0
- -9.0709 0.8145 0.0000 H 0 0 0
- -8.6455 -1.1455 0.0000 H 0 0 0
- -7.5693 -1.9613 0.0000 H 0 0 0
- -6.7535 -0.8851 0.0000 H 0 0 0
- -10.1511 -1.4196 0.0000 H 0 0 0
- -13.9851 -1.0695 0.0000 H 0 0 0
- -13.2001 -1.7399 0.0000 H 0 0 0
- -11.9046 -3.0319 0.0000 H 0 0 0
- -10.5544 -3.0595 0.0000 H 0 0 0
- -10.5268 -1.7093 0.0000 H 0 0 0
- -13.6650 -1.2534 0.0000 H 0 0 0
- -13.8529 -2.5907 0.0000 H 0 0 0
- -12.5156 -2.7786 0.0000 H 0 0 0
- -10.3885 1.6065 0.0000 H 0 0 0
- -10.6088 2.9388 0.0000 H 0 0 0
- -11.9411 2.7185 0.0000 H 0 0 0
- -14.7314 0.8992 0.0000 H 0 0 0
- -14.6827 -0.4041 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 8 12 2 0
- 10 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 16 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 19 21 1 0
- 21 22 2 0
- 22 23 1 0
- 23 24 2 0
- 24 25 1 0
- 24 26 1 0
- 25 27 2 0
- 27 28 1 0
- 28 29 2 0
- 29 30 1 0
- 29 31 1 0
- 30 32 2 0
- 32 33 1 0
- 33 34 1 0
- 33 35 2 0
- 34 36 1 0
- 34 37 1 0
- 34 38 1 0
- 35 39 1 0
- 35 40 1 0
- 36 41 1 0
- 39 42 2 0
- 8 11 1 0
- 39 41 1 0
- 4 43 1 0
- 5 44 1 0
- 5 45 1 0
- 6 46 1 0
- 6 47 1 0
- 6 48 1 0
- 7 49 1 0
- 7 50 1 0
- 7 51 1 0
- 9 52 1 0
- 9 53 1 0
- 9 54 1 0
- 10 55 1 0
- 11 56 1 0
- 11 57 1 0
- 14 58 1 0
- 15 59 1 0
- 15 60 1 0
- 15 61 1 0
- 16 62 1 0
- 17 63 1 0
- 19 64 1 0
- 20 65 1 0
- 20 66 1 0
- 20 67 1 0
- 21 68 1 0
- 22 69 1 0
- 23 70 1 0
- 25 71 1 0
- 26 72 1 0
- 26 73 1 0
- 26 74 1 0
- 27 75 1 0
- 28 76 1 0
- 30 77 1 0
- 31 78 1 0
- 31 79 1 0
- 31 80 1 0
- 32 81 1 0
- 36 82 1 0
- 36 83 1 0
- 37 84 1 0
- 37 85 1 0
- 37 86 1 0
- 38 87 1 0
- 38 88 1 0
- 38 89 1 0
- 40 90 1 0
- 40 91 1 0
- 40 92 1 0
- 41 93 1 0
- 41 94 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53940-49-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.5580 -0.5564 0.4657 C 0 0 0
- -2.0210 -0.4410 0.8083 C 0 0 0
- 0.2188 0.5832 0.3643 C 0 0 0
- 0.0057 -1.8013 0.2591 C 0 0 0
- -2.8373 -0.3079 -0.4789 C 0 0 0
- 1.5637 0.4789 0.0495 C 0 0 0
- 1.3477 -1.9124 -0.0556 C 0 0 0
- -4.3226 -0.1908 -0.1310 C 0 0 0
- -3.5265 0.9439 -0.4784 O 0 0 0
- 2.1301 -0.7745 -0.1643 C 0 0 0
- 2.3289 1.5987 -0.0511 O 0 0 0
- 3.4500 -0.8820 -0.4737 O 0 0 0
- 1.4721 2.7100 0.2192 C 0 0 0
- -2.6524 -1.2586 0.0000 H 0 0 0
- -1.6024 -1.3854 0.0000 H 0 0 0
- -0.2282 1.5144 0.0000 H 0 0 0
- -0.5895 -2.6455 0.0000 H 0 0 0
- -2.9611 -1.3334 0.0000 H 0 0 0
- 1.7904 -2.8457 0.0000 H 0 0 0
- -5.2598 0.2437 0.0000 H 0 0 0
- -4.5845 -1.1900 0.0000 H 0 0 0
- 4.4796 -0.9659 0.0000 H 0 0 0
- 2.2902 3.3407 0.0000 H 0 0 0
- 0.8414 3.5281 0.0000 H 0 0 0
- 0.6540 2.0793 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 10 12 1 0
- 11 13 1 0
- 7 10 2 0
- 8 9 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13365-37-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.6010 0.0188 -0.5621 C 0 0 0
- 1.1974 -1.2228 -0.2649 C 0 0 0
- 1.3419 1.1851 -0.2874 C 0 0 0
- -0.6623 0.0896 -1.1084 N 0 0 0
- 2.5029 -1.2541 0.2920 C 0 0 0
- 0.5176 -2.4278 -0.5117 C 0 0 0
- 2.6426 1.0703 0.2703 C 0 0 0
- 0.8110 2.4581 -0.5573 C 0 0 0
- -1.6054 0.1566 0.0159 C 0 0 0
- 3.1665 -0.1251 0.5356 N 0 0 0
- 3.0877 -2.5033 0.5846 C 0 0 0
- 1.1170 -3.6126 -0.2147 C 0 0 0
- 3.3731 2.2458 0.5403 C 0 0 0
- 1.5483 3.5679 -0.2817 C 0 0 0
- -3.0354 0.2375 -0.5220 C 0 0 0
- 2.4000 -3.6480 0.3317 C 0 0 0
- 2.8269 3.4596 0.2654 C 0 0 0
- -4.0176 0.3072 0.6490 C 0 0 0
- -5.3906 0.3849 0.1325 N 0 0 0
- -5.6635 -0.8948 -0.5352 C 0 0 0
- -6.2783 0.4490 1.3012 C 0 0 0
- -0.7254 -0.9042 0.0000 H 0 0 0
- -0.4780 -2.4053 0.0000 H 0 0 0
- -0.1803 2.5532 0.0000 H 0 0 0
- -1.0516 0.9842 0.0000 H 0 0 0
- -2.0495 1.0479 0.0000 H 0 0 0
- 4.0822 -2.5546 0.0000 H 0 0 0
- 0.5838 -4.4537 0.0000 H 0 0 0
- 4.3667 2.1795 0.0000 H 0 0 0
- 1.1152 4.4646 0.0000 H 0 0 0
- -3.5892 -0.5902 0.0000 H 0 0 0
- -2.5912 -0.6538 0.0000 H 0 0 0
- 2.8784 -4.5214 0.0000 H 0 0 0
- 3.4025 4.2723 0.0000 H 0 0 0
- -3.4638 1.1349 0.0000 H 0 0 0
- -4.4618 1.1985 0.0000 H 0 0 0
- -6.6374 -0.6871 0.0000 H 0 0 0
- -5.8712 -1.8687 0.0000 H 0 0 0
- -4.6896 -1.1025 0.0000 H 0 0 0
- -6.2066 1.4423 0.0000 H 0 0 0
- -7.2716 0.5207 0.0000 H 0 0 0
- -6.3500 -0.5443 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 7 10 2 0
- 12 16 1 0
- 14 17 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56600-58-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 0.3621 -0.1356 0.0845 C 0 0 0
- -0.1398 -1.4492 0.0855 C 0 0 0
- 1.7367 0.0771 0.1386 C 0 0 0
- -0.5674 1.0118 0.0202 C 0 0 0
- -1.5978 -1.6845 0.0288 C 0 0 0
- 0.7428 -2.5242 0.1405 C 0 0 0
- 2.6002 -1.0031 0.1929 C 0 0 0
- 2.2740 1.4563 0.1375 N 0 3 0
- -2.0251 0.7764 -0.0432 C 0 0 0
- -0.1338 2.1468 0.0197 O 0 0 0
- -2.5276 -0.5370 -0.0289 C 0 0 0
- -2.0315 -2.8194 0.0301 O 0 0 0
- 2.1067 -2.2949 0.1938 C 0 0 0
- 4.0879 -0.7701 0.2514 C 0 0 0
- 2.4508 2.0418 1.1908 O 0 0 0
- 2.5393 2.0057 -0.9167 O 0 5 0
- -2.9075 1.8512 -0.1045 C 0 0 0
- -3.9022 -0.7497 -0.0821 C 0 0 0
- 4.6518 -0.7154 -1.1699 C 0 0 0
- -4.2711 1.6218 -0.1640 C 0 0 0
- -4.7658 0.3305 -0.1355 C 0 0 0
- 0.3770 -3.5009 0.0000 H 0 0 0
- 2.7675 -3.1018 0.0000 H 0 0 0
- 4.5011 0.1875 0.0000 H 0 0 0
- 3.4489 0.0542 0.0000 H 0 0 0
- -2.5417 2.8279 0.0000 H 0 0 0
- -4.2807 -1.7215 0.0000 H 0 0 0
- 4.7525 -1.7535 0.0000 H 0 0 0
- 5.6899 -0.6147 0.0000 H 0 0 0
- 4.5511 0.3227 0.0000 H 0 0 0
- -4.9316 2.4290 0.0000 H 0 0 0
- -5.7964 0.1702 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 2 0
- 18 21 2 0
- 7 13 1 0
- 9 11 2 0
- 20 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 17 26 1 0
- 18 27 1 0
- 19 28 1 0
- 19 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.0000 0.0629 0.0000 O 0 0 0
- -1.1088 0.9149 -0.2945 C 0 0 0
- 1.1088 0.9149 0.2945 C 0 0 0
- -2.3357 0.0609 -0.6204 C 0 0 0
- 2.3357 0.0609 0.6204 C 0 0 0
- -2.6538 -0.7639 0.5024 O 0 0 0
- 2.6538 -0.7639 -0.5024 O 0 0 0
- -0.3881 1.6767 0.0000 H 0 0 0
- -1.7929 1.7098 0.0000 H 0 0 0
- 1.7929 1.7098 0.0000 H 0 0 0
- 0.3881 1.6767 0.0000 H 0 0 0
- -2.6282 1.0680 0.0000 H 0 0 0
- -3.3835 0.1057 0.0000 H 0 0 0
- 3.3835 0.1057 0.0000 H 0 0 0
- 2.6282 1.0680 0.0000 H 0 0 0
- -3.0312 -1.7424 0.0000 H 0 0 0
- 3.0312 -1.7424 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151378-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 42 1 V2000
- -0.9523 0.9727 0.1805 C 0 0 1
- -1.1432 -0.5159 0.1697 C 0 0 0
- 0.5072 1.1637 -0.0353 C 0 0 0
- -2.1626 1.7969 -0.1917 C 0 0 2
- -1.5980 1.8268 1.1348 O 0 0 0
- 0.1050 -1.1256 0.2968 C 0 0 0
- -2.3161 -1.1853 -0.0917 C 0 0 0
- 1.1223 -0.0926 0.1268 C 0 0 0
- 1.2429 2.3040 -0.3412 C 0 0 0
- -3.4986 1.0480 -0.1024 C 0 0 1
- 0.1483 -2.5166 0.4287 C 0 0 0
- -3.4910 -0.3928 -0.5638 C 0 0 1
- -2.2658 -2.5589 0.0512 C 0 0 0
- 2.5318 -0.1992 0.0495 C 0 0 0
- 2.6018 2.2014 -0.4494 C 0 0 0
- -3.9947 1.1168 1.2360 O 0 0 0
- -1.0620 -3.1922 0.3269 C 0 0 0
- -3.5525 -0.4362 -1.9908 O 0 0 0
- 3.2655 0.9797 -0.2472 C 0 0 0
- 3.2037 -1.4080 0.2543 C 0 0 0
- 4.6680 0.8987 -0.3319 C 0 0 0
- 4.5635 -1.4458 0.1656 C 0 0 0
- 5.2901 -0.2936 -0.1272 C 0 0 0
- -2.4521 2.7963 0.0000 H 0 0 0
- 0.7798 3.2358 0.0000 H 0 0 0
- -3.6916 2.0704 0.0000 H 0 0 0
- 1.0537 -3.0293 0.0000 H 0 0 0
- -4.4161 0.0835 0.0000 H 0 0 0
- -3.1465 -3.1130 0.0000 H 0 0 0
- 3.1670 3.0750 0.0000 H 0 0 0
- -5.0253 1.2597 0.0000 H 0 0 0
- -1.0491 -4.2326 0.0000 H 0 0 0
- -4.4026 -1.0361 0.0000 H 0 0 0
- 2.6637 -2.2974 0.0000 H 0 0 0
- 5.2328 1.7726 0.0000 H 0 0 0
- 5.0534 -2.3638 0.0000 H 0 0 0
- 6.3297 -0.3361 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 2 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 14 19 2 0
- 14 20 1 0
- 19 21 1 0
- 20 22 2 0
- 21 23 2 0
- 4 5 1 0
- 6 8 1 0
- 10 12 1 0
- 13 17 1 0
- 15 19 1 0
- 22 23 1 0
- 4 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133502-50-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 53 1 V2000
- 0.0003 -0.4991 -0.0042 C 0 0 0
- -1.2717 0.2366 -0.0013 C 0 0 0
- 1.2734 0.2346 -0.0039 C 0 0 0
- -0.0008 -1.9070 -0.0013 C 0 0 0
- -1.8558 0.6356 -1.2115 C 0 0 0
- -1.9075 0.5364 1.2112 C 0 0 0
- 1.9114 0.5359 -1.2153 C 0 0 0
- 1.8505 0.6403 1.2070 C 0 0 0
- -1.2171 -2.6117 -0.1432 C 0 0 0
- 1.2150 -2.6131 0.1376 C 0 0 0
- -3.0379 1.3186 -1.2041 C 0 0 0
- -3.0897 1.2199 1.2092 C 0 0 0
- 3.0939 1.2182 -1.2103 C 0 0 0
- 3.0336 1.3224 1.2025 C 0 0 0
- -1.2205 -3.9652 -0.1408 C 0 0 0
- 1.2163 -3.9666 0.1406 C 0 0 0
- -3.6639 1.6191 0.0042 C 0 0 0
- 3.6668 1.6150 -0.0035 C 0 0 0
- -0.0030 -4.6754 0.0043 C 0 0 0
- -4.8670 2.3144 0.0069 N 0 0 0
- 4.8705 2.3093 -0.0033 N 0 0 0
- -0.0040 -6.0013 0.0070 N 0 0 0
- -5.5269 2.6315 1.2759 C 0 0 0
- -5.4755 2.7304 -1.2591 C 0 0 0
- 5.4747 2.7275 1.2641 C 0 0 0
- 5.5354 2.6231 -1.2704 C 0 0 0
- -1.3152 1.4948 0.0000 H 0 0 0
- -2.3784 -0.3629 0.0000 H 0 0 0
- 2.3822 -0.3634 0.0000 H 0 0 0
- 1.3045 1.4961 0.0000 H 0 0 0
- -2.0960 -2.1037 0.0000 H 0 0 0
- 2.0945 -2.1062 0.0000 H 0 0 0
- -2.5640 2.2163 0.0000 H 0 0 0
- -3.6340 0.3630 0.0000 H 0 0 0
- 3.6370 0.3606 0.0000 H 0 0 0
- 2.5667 2.2238 0.0000 H 0 0 0
- -2.1014 -4.4697 0.0000 H 0 0 0
- 2.0964 -4.4724 0.0000 H 0 0 0
- -0.0048 -7.0164 0.0000 H 0 0 0
- -5.0872 3.5465 0.0000 H 0 0 0
- -6.4419 3.0712 0.0000 H 0 0 0
- -5.9666 1.7165 0.0000 H 0 0 0
- -4.9026 3.5684 0.0000 H 0 0 0
- -6.3135 3.3033 0.0000 H 0 0 0
- -6.0484 1.8924 0.0000 H 0 0 0
- 6.0524 1.8928 0.0000 H 0 0 0
- 6.3094 3.3052 0.0000 H 0 0 0
- 4.8970 3.5622 0.0000 H 0 0 0
- 5.9687 1.7051 0.0000 H 0 0 0
- 6.4534 3.0564 0.0000 H 0 0 0
- 5.1021 3.5411 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 2 0
- 10 16 2 0
- 11 17 1 0
- 13 18 1 0
- 15 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 2 0
- 20 23 1 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 12 17 2 0
- 14 18 2 0
- 16 19 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
- 26 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115453-72-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 2.5219 0.2808 -0.0590 C 0 0 0
- 1.3266 -0.6218 0.1071 C 0 0 0
- 2.6172 1.4152 1.3392 Cl 0 0 0
- 4.0228 -0.7160 -0.1276 Cl 0 0 0
- 2.3558 1.2230 -1.5872 Cl 0 0 0
- 0.1059 -0.1116 0.0971 C 0 0 0
- 1.5513 -2.3311 0.3115 Cl 0 0 0
- -1.2955 -1.1790 0.1369 S 0 0 0
- -0.1152 1.6095 0.0448 Cl 0 0 0
- -2.6289 0.0504 0.1052 C 0 0 0
- -3.9817 -0.6636 0.1338 C 0 0 1
- -5.0895 0.3577 0.1075 C 0 0 0
- -4.0970 -1.5414 -1.0385 N 0 0 0
- -5.5773 0.8486 1.2576 O 0 0 0
- -5.5386 0.7348 -0.9490 O 0 0 0
- -1.7763 0.7870 0.0000 H 0 0 0
- -3.2642 0.9809 0.0000 H 0 0 0
- -3.0568 -1.3071 0.0000 H 0 0 0
- -5.1378 -1.9729 0.0000 H 0 0 0
- -3.2029 -2.2270 0.0000 H 0 0 0
- -6.3715 1.6478 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 8 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2890 0.6862 0.1456 C 0 0 0
- -0.2174 -0.7078 -0.5039 C 0 0 0
- 1.1084 1.1629 0.0924 C 0 0 0
- -1.4827 1.4461 -0.3021 C 0 0 0
- 1.1807 -1.1054 -0.0894 C 0 0 0
- -1.3515 -1.5348 0.0644 C 0 0 0
- 1.8799 0.0427 0.0845 N 0 0 0
- 1.4886 2.3136 0.0622 O 0 0 0
- -2.6796 0.5885 0.0661 C 0 0 0
- 1.5965 -2.2343 0.0597 O 0 0 0
- -2.5720 -0.6911 0.2659 C 0 0 0
- -0.1643 1.7286 0.0000 H 0 0 0
- -0.0331 -1.7413 0.0000 H 0 0 0
- -0.8110 2.2529 0.0000 H 0 0 0
- -2.1976 2.2149 0.0000 H 0 0 0
- -2.0412 -2.3262 0.0000 H 0 0 0
- -0.6421 -2.3086 0.0000 H 0 0 0
- 2.9293 0.0721 0.0000 H 0 0 0
- -3.6327 1.0286 0.0000 H 0 0 0
- -3.4805 -1.2172 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 5 7 1 0
- 9 11 2 0
- 1 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-872-50-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.3598 0.6389 -0.0283 C 0 0 0
- -0.3183 -0.7046 -0.0325 N 0 0 0
- 1.0403 1.2029 -0.1303 C 0 0 0
- -1.3726 1.3024 0.0417 O 0 0 0
- 1.0604 -1.1952 -0.1435 C 0 0 0
- -1.4979 -1.5683 0.0622 C 0 0 0
- 1.9569 0.0085 0.2223 C 0 0 0
- 1.9678 1.7896 0.0000 H 0 0 0
- 0.5398 2.1797 0.0000 H 0 0 0
- 0.5916 -2.1876 0.0000 H 0 0 0
- 2.0014 -1.7602 0.0000 H 0 0 0
- -2.1463 -0.6828 0.0000 H 0 0 0
- -2.3834 -2.2167 0.0000 H 0 0 0
- -0.8495 -2.4538 0.0000 H 0 0 0
- 2.7732 -0.7252 0.0000 H 0 0 0
- 2.7625 0.7539 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61166-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.5252 -0.4293 -0.0018 C 0 0 0
- -0.9218 -0.7134 -0.0008 C 0 0 0
- 0.6570 0.9668 -0.0009 C 0 0 0
- 1.6595 -1.2381 0.0019 C 0 0 0
- -1.5722 0.5294 0.0005 C 0 0 0
- -1.6670 -1.8903 -0.0017 C 0 0 0
- -0.6119 1.5248 0.0004 N 0 0 0
- 1.9277 1.5341 -0.0015 C 0 0 0
- 2.9161 -0.6580 -0.0003 C 0 0 0
- -2.9635 0.5706 0.0016 C 0 0 0
- -3.0437 -1.8290 -0.0013 C 0 0 0
- -0.8950 2.9621 0.0016 C 0 0 0
- 3.0450 0.7283 -0.0029 C 0 0 0
- 4.0590 -1.4662 0.0033 N 0 0 0
- -3.6883 -0.6014 0.0014 C 0 0 0
- 1.5621 -2.2775 0.0000 H 0 0 0
- -1.1841 -2.8158 0.0000 H 0 0 0
- 2.0345 2.5726 0.0000 H 0 0 0
- -3.4582 1.4899 0.0000 H 0 0 0
- -3.6034 -2.7102 0.0000 H 0 0 0
- 0.1293 3.1638 0.0000 H 0 0 0
- -1.0967 3.9864 0.0000 H 0 0 0
- -1.9193 2.7604 0.0000 H 0 0 0
- 3.9954 1.1603 0.0000 H 0 0 0
- 3.9632 -2.5057 0.0000 H 0 0 0
- 5.0072 -1.0294 0.0000 H 0 0 0
- -4.7316 -0.5647 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 5 7 1 0
- 9 13 1 0
- 11 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-69-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.5177 -0.2787 0.0023 C 0 0 0
- 0.4185 -1.3134 0.0012 C 0 0 0
- -0.1216 0.9889 0.0015 N 0 0 0
- -1.9609 -0.5958 -0.0018 C 0 0 0
- 1.7660 -1.0001 -0.0007 C 0 0 0
- 1.1553 1.3130 -0.0003 C 0 0 0
- -2.8549 0.3835 -0.0008 C 0 0 0
- 2.1356 0.3379 -0.0015 C 0 0 0
- 0.1085 -2.3033 0.0000 H 0 0 0
- -2.2747 -1.5845 0.0000 H 0 0 0
- 2.4843 -1.7485 0.0000 H 0 0 0
- 1.4291 2.3135 0.0000 H 0 0 0
- -2.5411 1.3722 0.0000 H 0 0 0
- -3.8680 0.1609 0.0000 H 0 0 0
- 3.1382 0.6038 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 8 2 0
- 2 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14861-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.4413 0.4614 1.0503 C 0 0 0
- -0.7463 0.9056 1.5399 O 0 0 0
- 0.9132 0.9364 -0.1664 C 0 0 0
- 1.1864 -0.4625 1.7677 C 0 0 0
- -1.7228 0.2539 0.8537 C 0 0 0
- 2.1213 0.4835 -0.6618 C 0 0 0
- -0.0138 2.0974 -1.0645 Cl 0 0 0
- 2.3937 -0.9125 1.2686 C 0 0 0
- -3.0526 0.6030 1.0405 C 0 0 0
- -1.3885 -0.7554 -0.0370 C 0 0 0
- 2.8600 -0.4424 0.0539 C 0 0 0
- -4.0447 -0.0579 0.3437 C 0 0 0
- -2.3797 -1.4175 -0.7348 C 0 0 0
- 4.3770 -1.0103 -0.5706 Cl 0 0 0
- -3.7111 -1.0724 -0.5444 C 0 0 0
- -4.7158 -1.7426 -1.2509 N 0 0 0
- 0.6637 -1.1878 0.0000 H 0 0 0
- 2.6466 1.2070 0.0000 H 0 0 0
- 2.5856 -1.7857 0.0000 H 0 0 0
- -3.1999 1.4848 0.0000 H 0 0 0
- -0.5430 -1.0460 0.0000 H 0 0 0
- -4.8897 0.2341 0.0000 H 0 0 0
- -2.2305 -2.2990 0.0000 H 0 0 0
- -5.5174 -1.3466 0.0000 H 0 0 0
- -4.6580 -2.6348 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 8 11 2 0
- 13 15 2 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 16 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53-70-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -1.3876 -0.1649 -0.0019 C 0 0 0
- -2.8497 -0.3049 -0.0016 C 0 0 0
- -0.8203 1.1346 0.0000 C 0 0 0
- -0.5684 -1.2866 0.0018 C 0 0 0
- -3.6543 0.8547 0.0006 C 0 0 0
- -3.4528 -1.5643 -0.0030 C 0 0 0
- 0.5673 1.2868 -0.0003 C 0 0 0
- -1.6900 2.3071 0.0026 C 0 0 0
- 0.8188 -1.1343 0.0015 C 0 0 0
- -3.0321 2.1742 0.0029 C 0 0 0
- -5.0495 0.7203 0.0009 C 0 0 0
- -4.8154 -1.6633 -0.0022 C 0 0 0
- 1.3861 0.1653 -0.0022 C 0 0 0
- 1.6891 -2.3068 0.0055 C 0 0 0
- -5.6102 -0.5239 -0.0009 C 0 0 0
- 2.8486 0.3055 -0.0020 C 0 0 0
- 3.0308 -2.1738 0.0053 C 0 0 0
- 3.6535 -0.8538 -0.0034 C 0 0 0
- 3.4506 1.5651 0.0002 C 0 0 0
- 5.0483 -0.7212 -0.0031 C 0 0 0
- 4.8236 1.6632 0.0009 C 0 0 0
- 5.6138 0.5209 -0.0014 C 0 0 0
- -0.9909 -2.2447 0.0000 H 0 0 0
- -2.8629 -2.4295 0.0000 H 0 0 0
- 0.9899 2.2449 0.0000 H 0 0 0
- -1.2659 3.2645 0.0000 H 0 0 0
- -3.6358 3.0298 0.0000 H 0 0 0
- -5.6594 1.5715 0.0000 H 0 0 0
- -5.2658 -2.6087 0.0000 H 0 0 0
- 1.2652 -3.2643 0.0000 H 0 0 0
- -6.6528 -0.6210 0.0000 H 0 0 0
- 3.6345 -3.0294 0.0000 H 0 0 0
- 2.8609 2.4305 0.0000 H 0 0 0
- 5.6560 -1.5740 0.0000 H 0 0 0
- 5.2764 2.6074 0.0000 H 0 0 0
- 6.6568 0.6139 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 1 0
- 16 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 18 1 0
- 21 22 2 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1241-94-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- -0.5108 -0.8667 0.1313 P 0 0 0
- -1.5549 -2.0680 -0.1113 O 0 0 0
- -0.9364 -0.0432 1.4476 O 0 0 0
- 0.9673 -1.4726 0.3319 O 0 0 0
- -0.5184 0.0376 -1.0403 O 0 0 0
- -2.7417 -1.4957 -0.4440 C 0 0 0
- -1.0862 1.2533 1.0686 C 0 0 0
- 1.8705 -0.3652 0.3366 C 0 0 0
- -2.9768 -1.0928 -1.7508 C 0 0 0
- -3.7223 -1.3184 0.5209 C 0 0 0
- -2.2331 1.6532 0.3988 C 0 0 0
- -0.0945 2.1802 1.3561 C 0 0 0
- 3.3095 -0.8811 0.4005 C 0 0 0
- -4.1839 -0.5113 -2.0865 C 0 0 0
- -4.9281 -0.7363 0.1801 C 0 0 0
- -2.3828 2.9719 0.0145 C 0 0 0
- -0.2490 3.4973 0.9697 C 0 0 0
- 4.2791 0.2890 0.2230 C 0 0 0
- 3.5537 -1.5444 1.7575 C 0 0 0
- -5.1577 -0.3306 -1.1214 C 0 0 0
- -1.3909 3.8924 0.2970 C 0 0 0
- 5.0421 0.1239 -1.0928 C 0 0 0
- 4.1843 -2.9222 1.5455 C 0 0 0
- 6.0915 1.2305 -1.2162 C 0 0 0
- 6.8545 1.0654 -2.5320 C 0 0 0
- 2.3085 0.5242 0.0000 H 0 0 0
- 1.0363 0.1705 0.0000 H 0 0 0
- -2.3041 -0.3645 0.0000 H 0 0 0
- -4.0288 -2.2612 0.0000 H 0 0 0
- -3.0076 1.0343 0.0000 H 0 0 0
- 0.8364 1.8391 0.0000 H 0 0 0
- 2.6115 -1.5851 0.0000 H 0 0 0
- -3.8756 0.4309 0.0000 H 0 0 0
- -5.6059 -1.4598 0.0000 H 0 0 0
- -3.3124 3.3163 0.0000 H 0 0 0
- 0.5236 4.1185 0.0000 H 0 0 0
- 4.6401 1.2123 0.0000 H 0 0 0
- 3.4249 0.7922 0.0000 H 0 0 0
- 2.5728 -1.4008 0.0000 H 0 0 0
- 2.9589 -2.3375 0.0000 H 0 0 0
- -5.9648 0.2451 0.0000 H 0 0 0
- -1.5951 4.8625 0.0000 H 0 0 0
- 4.6606 -0.7911 0.0000 H 0 0 0
- 5.8730 -0.4169 0.0000 H 0 0 0
- 3.2828 -3.3348 0.0000 H 0 0 0
- 4.5969 -3.8237 0.0000 H 0 0 0
- 5.0858 -2.5096 0.0000 H 0 0 0
- 6.4730 2.1455 0.0000 H 0 0 0
- 5.2606 1.7713 0.0000 H 0 0 0
- 6.6448 0.0964 0.0000 H 0 0 0
- 7.8235 0.8557 0.0000 H 0 0 0
- 7.0642 2.0344 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 13 19 1 0
- 14 20 1 0
- 16 21 2 0
- 18 22 1 0
- 19 23 1 0
- 22 24 1 0
- 24 25 1 0
- 15 20 2 0
- 17 21 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-60-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.1505 0.8947 0.0803 C 0 0 0
- -1.3691 -0.4967 0.0795 C 0 0 0
- 0.2216 1.4186 0.2351 C 0 0 0
- -2.2273 1.7653 -0.0703 C 0 0 0
- -0.2216 -1.4190 0.2332 C 0 0 0
- -2.6579 -0.9921 -0.0663 C 0 0 0
- 1.3690 0.4967 0.0788 C 0 0 0
- 0.4065 2.5930 0.4873 O 0 0 0
- -3.5046 1.2612 -0.2199 C 0 0 0
- 1.1504 -0.8950 0.0781 C 0 0 0
- -0.4064 -2.5938 0.4837 O 0 0 0
- -3.7246 -0.1101 -0.2113 C 0 0 0
- 2.6572 0.9923 -0.0674 C 0 0 0
- 2.2276 -1.7652 -0.0689 C 0 0 0
- -4.9849 -0.5927 -0.3546 O 0 0 0
- 3.7244 0.1104 -0.2134 C 0 0 0
- 3.5057 -1.2608 -0.2138 C 0 0 0
- 4.9846 0.5932 -0.3565 O 0 0 0
- -2.0701 2.7918 0.0000 H 0 0 0
- -2.8254 -2.0169 0.0000 H 0 0 0
- -4.3140 1.9117 0.0000 H 0 0 0
- 2.8244 2.0172 0.0000 H 0 0 0
- 2.0706 -2.7917 0.0000 H 0 0 0
- -5.9547 -0.9640 0.0000 H 0 0 0
- 4.3154 -1.9110 0.0000 H 0 0 0
- 5.9543 0.9647 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 7 10 1 0
- 9 12 1 0
- 16 17 2 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103302-38-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.6797 -0.8165 0.3490 C 0 0 2
- -0.6798 -0.8165 -0.3490 C 0 0 2
- 0.8638 0.4679 1.1131 C 0 0 0
- 1.7161 -0.9430 -0.6267 O 0 0 0
- -0.8638 0.4679 -1.1131 C 0 0 0
- -1.7161 -0.9429 0.6267 O 0 0 0
- 0.3670 1.6048 0.6378 C 0 0 0
- -0.3669 1.6048 -0.6378 C 0 0 0
- 0.6232 -1.7453 0.0000 H 0 0 0
- -0.6234 -1.7453 0.0000 H 0 0 0
- 1.7859 0.5930 0.0000 H 0 0 0
- 2.6398 -1.0557 0.0000 H 0 0 0
- -1.7859 0.5930 0.0000 H 0 0 0
- -2.6398 -1.0556 0.0000 H 0 0 0
- 0.8765 2.3835 0.0000 H 0 0 0
- -0.8764 2.3835 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 1 9 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98114-60-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 10 1 V2000
- -4.2371 -0.2758 -0.2729 N 0 0 0
- -5.1921 0.5836 0.4311 C 0 0 0
- -3.2182 -0.7573 0.3548 N 0 0 0
- -5.2404 1.9544 -0.2467 C 0 0 0
- -2.4243 -1.4718 -0.2305 O 0 0 0
- 6.8678 0.1929 0.0083 K 0 3 0
- -6.0745 0.7816 0.0000 H 0 0 0
- -5.6071 -0.2199 0.0000 H 0 0 0
- -4.3366 1.9862 0.0000 H 0 0 0
- -5.2722 2.8582 0.0000 H 0 0 0
- -6.1442 1.9226 0.0000 H 0 0 0
- -1.7521 -2.0768 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-239-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- 0.4168 0.3655 0.0038 C 0 0 0
- -0.3789 -0.7795 0.0021 C 0 0 0
- 1.8178 0.2947 0.0017 C 0 0 0
- -0.7340 1.7157 0.0012 S 0 0 0
- -1.8411 -0.5490 0.0037 C 0 0 0
- 0.2850 -2.0382 -0.0004 C 0 0 0
- 2.4402 -0.9792 -0.0020 C 0 0 0
- 2.6169 1.4477 0.0029 C 0 0 0
- -2.2497 0.7937 -0.0021 C 0 0 0
- -2.8602 -1.5261 0.0025 C 0 0 0
- 1.6321 -2.1322 -0.0013 C 0 0 0
- 3.8402 -1.0628 -0.0040 C 0 0 0
- 3.9741 1.3298 0.0003 C 0 0 0
- -3.5812 1.1568 -0.0051 C 0 0 0
- -4.1814 -1.1575 0.0043 C 0 0 0
- 4.5846 0.0784 -0.0024 C 0 0 0
- -4.5558 0.1779 -0.0072 C 0 0 0
- -0.2894 -2.9196 0.0000 H 0 0 0
- 2.1697 2.3999 0.0000 H 0 0 0
- -2.6039 -2.5464 0.0000 H 0 0 0
- 2.0848 -3.0818 0.0000 H 0 0 0
- 4.3134 -2.0023 0.0000 H 0 0 0
- 4.5696 2.1970 0.0000 H 0 0 0
- -3.8523 2.1732 0.0000 H 0 0 0
- -4.9248 -1.9018 0.0000 H 0 0 0
- 5.6346 0.0132 0.0000 H 0 0 0
- -5.5738 0.4432 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 10 5 2 0
- 11 6 2 0
- 12 7 1 0
- 13 8 2 0
- 14 9 2 0
- 15 10 1 0
- 16 12 2 0
- 17 14 1 0
- 5 9 1 0
- 7 11 1 0
- 13 16 1 0
- 15 17 2 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63521-85-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 71 1 V2000
- -0.4088 1.8240 0.7074 C 0 0 0
- -0.7193 0.5932 0.1862 C 0 0 0
- 0.9305 2.1879 0.8984 C 0 0 0
- -1.4621 2.8270 1.1025 C 0 0 0
- -2.1396 0.1485 -0.0522 C 0 0 2
- 0.3022 -0.3051 -0.1501 C 0 0 0
- 1.9580 1.3069 0.5664 C 0 0 0
- 1.2296 3.4077 1.4101 O 0 0 0
- -2.8013 2.4857 0.4531 C 0 0 2
- -3.1157 1.0131 0.7424 C 0 0 0
- -2.2835 -1.2175 0.3419 O 0 0 0
- 1.6390 0.0408 0.0355 C 0 0 0
- -0.0131 -1.5216 -0.6601 O 0 0 0
- 3.3662 1.6895 0.7671 C 0 0 0
- -2.7142 2.7035 -1.0355 C 0 0 0
- -3.8278 3.3148 1.0018 O 0 0 0
- -3.0669 -1.8581 -0.6671 C 0 0 1
- 2.7137 -0.9031 -0.3188 C 0 0 0
- 4.4435 0.7427 0.4112 C 0 0 0
- 3.6415 2.7819 1.2243 O 0 0 0
- -3.9425 3.1032 -1.8117 C 0 0 0
- -1.6600 2.5579 -1.6063 O 0 0 0
- -2.7473 -3.3546 -0.6876 C 0 0 0
- -4.4521 -1.6637 -0.3883 O 0 0 0
- 4.1233 -0.5214 -0.1178 C 0 0 0
- 2.4381 -1.9959 -0.7761 O 0 0 0
- 5.7762 1.0948 0.5980 C 0 0 0
- -3.6068 3.2481 -3.1931 O 0 0 0
- -3.0543 -3.9497 0.6913 C 0 0 1
- -4.6846 -2.0809 0.9557 C 0 0 2
- 5.1498 -1.4103 -0.4519 C 0 0 0
- 6.7826 0.2039 0.2628 C 0 0 0
- -4.4973 -3.5956 1.0680 C 0 0 0
- -2.9065 -5.4103 0.6381 N 0 0 0
- -6.1120 -1.7118 1.3646 C 0 0 0
- 6.4760 -1.0373 -0.2571 C 0 0 0
- 4.8538 -2.6308 -0.9631 O 0 0 0
- 6.0982 -3.2933 -1.1973 C 0 0 0
- -0.6343 3.4218 0.0000 H 0 0 0
- -1.8929 3.7508 0.0000 H 0 0 0
- -3.0898 -0.2205 0.0000 H 0 0 0
- 1.4723 4.3977 0.0000 H 0 0 0
- -4.0616 1.3929 0.0000 H 0 0 0
- -3.6514 0.1459 0.0000 H 0 0 0
- -0.2688 -2.5083 0.0000 H 0 0 0
- -4.6208 3.9553 0.0000 H 0 0 0
- -3.3417 -0.8765 0.0000 H 0 0 0
- -4.5916 3.8891 0.0000 H 0 0 0
- -4.5160 2.2605 0.0000 H 0 0 0
- -2.0162 -4.0649 0.0000 H 0 0 0
- -1.8553 -2.8613 0.0000 H 0 0 0
- 6.0117 2.0865 0.0000 H 0 0 0
- -2.6709 3.6521 0.0000 H 0 0 0
- -2.0529 -4.1399 0.0000 H 0 0 0
- -3.6841 -2.2761 0.0000 H 0 0 0
- 7.7558 0.5071 0.0000 H 0 0 0
- -5.5166 -3.5974 0.0000 H 0 0 0
- -4.6187 -4.6077 0.0000 H 0 0 0
- -3.7335 -6.0062 0.0000 H 0 0 0
- -1.9769 -5.8285 0.0000 H 0 0 0
- -5.8568 -0.7249 0.0000 H 0 0 0
- -7.0989 -1.4566 0.0000 H 0 0 0
- -6.3672 -2.6987 0.0000 H 0 0 0
- 7.2082 -1.7464 0.0000 H 0 0 0
- 5.6192 -4.1931 0.0000 H 0 0 0
- 6.9980 -3.7723 0.0000 H 0 0 0
- 6.5772 -2.3935 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 17 11 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 1 0
- 21 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 27 32 2 0
- 29 33 1 0
- 29 34 1 0
- 30 35 1 0
- 31 36 2 0
- 31 37 1 0
- 37 38 1 0
- 7 12 2 0
- 9 10 1 0
- 19 25 2 0
- 30 33 1 0
- 32 36 1 0
- 4 39 1 0
- 4 40 1 0
- 5 41 1 0
- 8 42 1 0
- 10 43 1 0
- 10 44 1 0
- 13 45 1 0
- 16 46 1 0
- 17 47 1 0
- 21 48 1 0
- 21 49 1 0
- 23 50 1 0
- 23 51 1 0
- 27 52 1 0
- 28 53 1 0
- 29 54 1 0
- 30 55 1 0
- 32 56 1 0
- 33 57 1 0
- 33 58 1 0
- 34 59 1 0
- 34 60 1 0
- 35 61 1 0
- 35 62 1 0
- 35 63 1 0
- 36 64 1 0
- 38 65 1 0
- 38 66 1 0
- 38 67 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37797-31-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 1.6973 0.5348 -0.5001 C 0 0 0
- 0.3305 0.5544 -0.5002 N 0 0 0
- 2.4166 1.7328 -0.4991 C 0 0 0
- 2.3821 -0.6838 -0.4952 C 0 0 0
- -0.3304 -0.5534 -0.5011 N 0 0 0
- 3.7957 1.7051 -0.4991 C 0 0 0
- 3.7610 -0.6957 -0.4951 C 0 0 0
- -1.6972 -0.5338 -0.5013 C 0 0 0
- 4.4668 0.4950 -0.5000 C 0 0 0
- -2.4166 -1.7318 -0.5022 C 0 0 0
- -2.3821 0.6847 -0.4945 C 0 0 0
- 5.9736 0.4734 -0.4999 C 0 0 0
- -3.7956 -1.7041 -0.5019 C 0 0 0
- -3.7609 0.6966 -0.4942 C 0 0 0
- 6.4476 -0.2189 0.6851 O 0 0 0
- -4.4667 -0.4940 -0.5005 C 0 0 0
- 7.7654 -0.3607 0.8976 C 0 0 0
- -5.9735 -0.4724 -0.5006 C 0 0 0
- 8.2574 -1.0792 2.1275 C 0 0 0
- 8.5571 0.0878 0.1026 O 0 0 0
- -6.4477 0.2176 0.6857 O 0 0 0
- -7.7655 0.3590 0.8982 C 0 0 0
- -8.2577 1.0751 2.1294 C 0 0 0
- -8.5572 -0.0880 0.1023 O 0 0 0
- 1.9162 2.6379 0.0000 H 0 0 0
- 1.8560 -1.5742 0.0000 H 0 0 0
- 4.3294 2.5909 0.0000 H 0 0 0
- 4.2691 -1.5965 0.0000 H 0 0 0
- -1.9163 -2.6369 0.0000 H 0 0 0
- -1.8560 1.5751 0.0000 H 0 0 0
- 6.9280 0.8718 0.0000 H 0 0 0
- 5.7777 1.4889 0.0000 H 0 0 0
- -4.3293 -2.5899 0.0000 H 0 0 0
- -4.2690 1.5974 0.0000 H 0 0 0
- -6.9274 -0.8719 0.0000 H 0 0 0
- -5.7770 -1.4878 0.0000 H 0 0 0
- 7.4041 -1.6635 0.0000 H 0 0 0
- 8.8417 -1.9325 0.0000 H 0 0 0
- 9.1107 -0.4949 0.0000 H 0 0 0
- -7.4054 1.6609 0.0000 H 0 0 0
- -8.8435 1.9274 0.0000 H 0 0 0
- -9.1100 0.4893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 2 0
- 18 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 2 0
- 7 9 1 0
- 14 16 1 0
- 3 25 1 0
- 4 26 1 0
- 6 27 1 0
- 7 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16234-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 53 1 V2000
- -3.0853 1.6418 0.6774 C 0 0 0
- -3.8343 2.7364 0.4711 O 0 0 0
- -2.6744 1.3910 1.7856 O 0 0 0
- -2.7621 0.7224 -0.4720 C 0 0 0
- -4.2549 3.5511 1.5970 C 0 0 0
- -1.3582 0.1967 -0.3154 C 0 0 0
- -3.7674 -0.4267 -0.5029 C 0 0 0
- -1.0909 -1.0753 0.1321 C 0 0 0
- -0.3120 1.0574 -0.6437 C 0 0 0
- -5.1902 0.1312 -0.4309 C 0 0 0
- -3.6047 -1.1765 -1.7085 O 0 0 0
- -3.5049 -1.3302 0.7077 C 0 0 0
- 0.2340 -1.5071 0.2668 C 0 0 0
- -2.1792 -2.0554 0.4874 C 0 0 0
- 1.0060 0.6466 -0.5190 C 0 0 0
- -6.1931 -1.0239 -0.4622 C 0 0 0
- 0.4934 -2.7612 0.7124 O 0 0 0
- 1.2870 -0.6537 -0.0557 C 0 0 0
- -2.3264 -3.0070 -0.5684 O 0 0 0
- 2.1200 1.5560 -0.8646 C 0 0 0
- 2.6885 -1.0943 0.0827 C 0 0 0
- 1.9112 2.5731 -1.4959 O 0 0 0
- 3.4915 1.2112 -0.4312 C 0 0 0
- 2.9506 -2.2718 0.2359 O 0 0 0
- 3.7685 -0.0898 0.0325 C 0 0 0
- 4.5072 2.1582 -0.4779 C 0 0 0
- 5.0630 -0.4160 0.4422 C 0 0 0
- 5.7879 1.8207 -0.0677 C 0 0 0
- 5.3418 -1.6647 0.8909 O 0 0 0
- 6.0664 0.5486 0.3870 C 0 0 0
- -2.0470 1.4232 0.0000 H 0 0 0
- -3.3652 4.0104 0.0000 H 0 0 0
- -4.7142 4.4408 0.0000 H 0 0 0
- -5.1446 3.0918 0.0000 H 0 0 0
- -0.5042 2.0400 0.0000 H 0 0 0
- -4.7212 1.0158 0.0000 H 0 0 0
- -6.0159 0.6975 0.0000 H 0 0 0
- -3.3924 -2.1550 0.0000 H 0 0 0
- -4.5059 -1.3519 0.0000 H 0 0 0
- -3.7424 -2.3029 0.0000 H 0 0 0
- -1.2984 -2.5315 0.0000 H 0 0 0
- -6.9491 -0.3675 0.0000 H 0 0 0
- -6.8495 -1.7799 0.0000 H 0 0 0
- -5.4371 -1.6803 0.0000 H 0 0 0
- 0.6962 -3.7417 0.0000 H 0 0 0
- -2.4795 -3.9965 0.0000 H 0 0 0
- 4.2630 3.1292 0.0000 H 0 0 0
- 6.5106 2.5136 0.0000 H 0 0 0
- 5.5600 -2.6419 0.0000 H 0 0 0
- 7.0244 0.2577 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 1 0
- 7 4 1 0
- 8 6 2 0
- 9 6 1 0
- 10 7 1 0
- 11 7 1 0
- 12 7 1 0
- 13 8 1 0
- 14 8 1 0
- 15 9 2 0
- 16 10 1 0
- 17 13 1 0
- 18 13 2 0
- 19 14 1 0
- 20 15 1 0
- 21 18 1 0
- 22 20 2 0
- 23 20 1 0
- 24 21 2 0
- 25 21 1 0
- 26 23 2 0
- 27 25 2 0
- 28 26 1 0
- 29 27 1 0
- 30 27 1 0
- 12 14 1 0
- 15 18 1 0
- 23 25 1 0
- 28 30 2 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 5 34 1 0
- 9 35 1 0
- 10 36 1 0
- 10 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 14 41 1 0
- 16 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 19 46 1 0
- 26 47 1 0
- 28 48 1 0
- 29 49 1 0
- 30 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98151-91-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- 0.0678 -0.1052 -0.0945 C 0 0 0
- -1.2031 0.4908 -0.0041 C 0 0 0
- 1.2265 0.7060 -0.0950 C 0 0 0
- 0.1796 -1.5119 -0.1904 C 0 0 0
- -2.3623 -0.3187 -0.0050 C 0 0 0
- -1.3169 1.8969 0.0870 C 0 0 0
- 2.4788 0.1033 -0.1868 C 0 0 0
- 1.0778 2.1558 0.0013 C 0 0 0
- 1.4439 -2.0917 -0.2803 C 0 0 0
- -1.0358 -2.3222 -0.1936 C 0 0 0
- -3.6162 0.2934 0.0848 C 0 0 0
- -2.2460 -1.7275 -0.0955 C 0 0 0
- -0.1543 2.7058 0.0875 C 0 0 0
- -2.5898 2.4694 0.1755 C 0 0 0
- 2.5816 -1.2865 -0.2749 C 0 0 0
- 3.7320 0.9389 -0.1937 C 0 0 1
- -3.7138 1.6680 0.1734 C 0 0 0
- -4.8434 -0.5350 0.0845 N 0 3 0
- 3.9258 -1.8984 -0.3704 C 0 0 0
- 4.8533 0.1976 0.5316 C 0 0 2
- 4.1258 1.1956 -1.5432 O 0 0 0
- -5.7775 -0.2394 -0.6391 O 0 0 0
- -4.9188 -1.5120 0.8078 O 0 5 0
- 4.9895 -1.2032 0.0031 C 0 0 0
- 4.5674 0.1531 1.9310 O 0 0 0
- 1.9255 2.7694 0.0000 H 0 0 0
- 1.5410 -3.1337 0.0000 H 0 0 0
- -0.9672 -3.3664 0.0000 H 0 0 0
- -3.1108 -2.3168 0.0000 H 0 0 0
- -0.2525 3.7477 0.0000 H 0 0 0
- -2.6926 3.5108 0.0000 H 0 0 0
- 3.1560 1.8126 0.0000 H 0 0 0
- -4.6605 2.1140 0.0000 H 0 0 0
- 4.0051 -2.9419 0.0000 H 0 0 0
- 5.7499 0.7372 0.0000 H 0 0 0
- 5.0025 1.7671 0.0000 H 0 0 0
- 5.9329 -1.6560 0.0000 H 0 0 0
- 3.5334 -0.0078 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 16 21 1 0
- 18 22 2 0
- 18 23 1 0
- 19 24 2 0
- 20 25 1 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 24 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 24 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17455-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 78 1 V2000
- 5.1942 0.7614 0.4845 C 0 0 0
- 5.0891 -0.4188 -0.4627 C 0 0 0
- 6.4024 0.6964 1.3500 C 0 0 0
- 4.6454 1.9668 0.1130 O 0 0 0
- 6.3710 -0.5502 -1.2882 C 0 0 0
- 4.8729 -1.6261 0.2729 O 0 0 0
- 7.6819 0.5632 0.5168 C 0 0 0
- 3.2202 1.8718 0.1514 C 0 0 0
- 7.5747 -0.6910 -0.3541 C 0 0 0
- 4.0034 -2.4384 -0.5183 C 0 0 0
- 2.5978 3.2516 -0.0670 C 0 0 0
- 2.5936 -2.4065 0.0759 C 0 0 0
- 1.2616 3.0970 -0.5495 O 0 0 0
- 2.0511 -3.7290 0.0857 O 0 0 0
- 0.4286 3.9574 0.2292 C 0 0 0
- 0.7770 -3.6585 -0.5569 C 0 0 0
- -0.9110 4.1479 -0.4864 C 0 0 0
- -0.2522 -3.0760 0.4135 C 0 0 0
- -1.9347 3.4504 0.2251 O 0 0 0
- -1.5632 -3.2243 -0.1362 O 0 0 0
- -2.6591 2.6805 -0.7365 C 0 0 0
- -2.4859 -2.8539 0.8901 C 0 0 0
- -4.0932 2.4720 -0.2466 C 0 0 0
- -3.8867 -2.7113 0.2908 C 0 0 0
- -4.1685 1.2624 0.5107 O 0 0 0
- -4.0061 -1.4365 -0.3427 O 0 0 0
- -5.3294 0.5886 0.1802 C 0 0 0
- -5.2496 -0.8977 -0.0590 C 0 0 0
- -6.6164 1.0033 0.8212 C 0 0 0
- -6.4400 -1.4258 -0.8006 C 0 0 0
- -7.8160 0.4897 0.0163 C 0 0 0
- -7.7377 -1.0369 -0.0820 C 0 0 0
- 4.2305 0.5968 0.0000 H 0 0 0
- 4.1200 -0.2891 0.0000 H 0 0 0
- 6.9630 1.4974 0.0000 H 0 0 0
- 5.9743 1.5754 0.0000 H 0 0 0
- 6.9512 0.2368 0.0000 H 0 0 0
- 5.9753 0.3438 0.0000 H 0 0 0
- 8.6555 0.4739 0.0000 H 0 0 0
- 7.7771 1.5363 0.0000 H 0 0 0
- 2.2875 1.5785 0.0000 H 0 0 0
- 3.4006 0.9109 0.0000 H 0 0 0
- 7.4712 -1.6632 0.0000 H 0 0 0
- 8.5479 -0.7844 0.0000 H 0 0 0
- 3.7255 -3.3758 0.0000 H 0 0 0
- 4.8350 -2.9526 0.0000 H 0 0 0
- 3.5256 3.5600 0.0000 H 0 0 0
- 2.3863 4.2062 0.0000 H 0 0 0
- 2.7347 -1.4390 0.0000 H 0 0 0
- 1.6506 -2.1485 0.0000 H 0 0 0
- 1.3022 4.3965 0.0000 H 0 0 0
- 0.2707 4.9223 0.0000 H 0 0 0
- 0.0201 -4.2774 0.0000 H 0 0 0
- 1.0800 -4.5881 0.0000 H 0 0 0
- -0.5138 5.0413 0.0000 H 0 0 0
- -1.6616 4.7744 0.0000 H 0 0 0
- 0.4689 -2.4157 0.0000 H 0 0 0
- -0.6571 -2.1861 0.0000 H 0 0 0
- -2.8104 1.7146 0.0000 H 0 0 0
- -1.7809 2.2507 0.0000 H 0 0 0
- -1.7765 -2.1811 0.0000 H 0 0 0
- -2.8015 -1.9285 0.0000 H 0 0 0
- -4.1670 3.4469 0.0000 H 0 0 0
- -5.0709 2.4655 0.0000 H 0 0 0
- -4.8640 -2.7391 0.0000 H 0 0 0
- -3.9224 -3.6884 0.0000 H 0 0 0
- -5.4339 1.5607 0.0000 H 0 0 0
- -5.2454 -1.8754 0.0000 H 0 0 0
- -6.0671 1.8121 0.0000 H 0 0 0
- -7.2383 1.7577 0.0000 H 0 0 0
- -6.9746 -2.2444 0.0000 H 0 0 0
- -5.8065 -2.1705 0.0000 H 0 0 0
- -8.0925 1.4275 0.0000 H 0 0 0
- -8.7798 0.3252 0.0000 H 0 0 0
- -8.7135 -0.9755 0.0000 H 0 0 0
- -7.9099 -1.9993 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 7 9 1 0
- 27 28 1 0
- 31 32 1 0
- 1 33 1 0
- 2 34 1 0
- 3 35 1 0
- 3 36 1 0
- 5 37 1 0
- 5 38 1 0
- 7 39 1 0
- 7 40 1 0
- 8 41 1 0
- 8 42 1 0
- 9 43 1 0
- 9 44 1 0
- 10 45 1 0
- 10 46 1 0
- 11 47 1 0
- 11 48 1 0
- 12 49 1 0
- 12 50 1 0
- 15 51 1 0
- 15 52 1 0
- 16 53 1 0
- 16 54 1 0
- 17 55 1 0
- 17 56 1 0
- 18 57 1 0
- 18 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 24 66 1 0
- 27 67 1 0
- 28 68 1 0
- 29 69 1 0
- 29 70 1 0
- 30 71 1 0
- 30 72 1 0
- 31 73 1 0
- 31 74 1 0
- 32 75 1 0
- 32 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-830-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.0921 0.1108 -0.0035 C 0 0 0
- -1.0336 -0.6298 -0.0028 O 0 0 0
- -0.2662 1.4251 -0.0010 C 0 0 0
- 1.4678 -0.4093 -0.0009 C 0 0 0
- -2.1026 0.1833 0.0001 C 0 0 0
- -1.6740 1.4612 0.0013 C 0 0 0
- 2.4971 0.4329 -0.0019 C 0 0 0
- -3.5182 -0.2523 0.0009 N 0 3 0
- 3.8825 -0.0908 0.0007 N 0 3 0
- -4.4104 0.5768 0.0036 O 0 0 0
- -3.7900 -1.4395 -0.0011 O 0 5 0
- 4.8252 0.6806 -0.0002 O 0 0 0
- 4.0792 -1.2928 0.0037 O 0 5 0
- 0.3575 2.2203 0.0000 H 0 0 0
- 1.6310 -1.4066 0.0000 H 0 0 0
- -2.2536 2.2891 0.0000 H 0 0 0
- 2.3339 1.4302 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 2 0
- 9 13 1 0
- 5 6 2 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52-90-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.1633 -0.1212 -0.4458 C 0 0 0
- -1.5871 0.1115 -0.0100 C 0 0 0
- 0.7905 0.5155 0.5669 C 0 0 0
- 0.0957 -1.5652 -0.5216 N 0 0 0
- -2.2435 1.2084 -0.4194 O 0 0 0
- -2.1377 -0.6893 0.7078 O 0 0 0
- 2.5043 0.2354 0.0424 S 0 0 0
- -0.3793 0.8760 0.0000 H 0 0 0
- 1.2209 1.4407 0.0000 H 0 0 0
- 0.0159 1.1797 0.0000 H 0 0 0
- -0.6840 -2.2234 0.0000 H 0 0 0
- 1.0556 -1.9114 0.0000 H 0 0 0
- -2.7675 2.0840 0.0000 H 0 0 0
- 3.5113 0.0708 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63449-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 67 1 V2000
- 4.4803 -5.1849 0.1330 C 0 0 0
- 2.9816 -5.2740 0.2638 C 0 0 0
- 5.2582 -4.9390 1.2491 C 0 0 0
- 5.0774 -5.3546 -1.1019 C 0 0 0
- 2.3843 -3.9691 -0.0499 N 0 3 0
- 6.6327 -4.8572 1.1291 C 0 0 0
- 6.4524 -5.2729 -1.2219 C 0 0 0
- 0.9460 -4.0049 0.2468 C 0 0 0
- 3.0263 -2.9282 0.7640 C 0 0 0
- 2.5832 -3.6692 -1.4741 C 0 0 0
- 7.2297 -5.0213 -0.1071 C 0 0 0
- 0.3239 -2.6458 -0.0800 C 0 0 0
- -1.1741 -2.6831 0.2290 C 0 0 0
- -1.7963 -1.3241 -0.0977 C 0 0 0
- -3.2943 -1.3614 0.2112 C 0 0 0
- -3.9164 -0.0023 -0.1155 C 0 0 0
- -5.4144 -0.0396 0.1934 C 0 0 0
- -6.0365 1.3195 -0.1333 C 0 0 0
- -7.5345 1.2821 0.1757 C 0 0 0
- -8.1566 2.6412 -0.1511 C 0 0 0
- -9.6547 2.6039 0.1579 C 0 0 0
- -10.2768 3.9630 -0.1689 C 0 0 0
- -11.7748 3.9257 0.1401 C 0 0 0
- -12.3969 5.2847 -0.1866 C 0 0 0
- 11.4013 12.9323 0.0010 Cl 0 0 0
- 1.9127 -5.6117 0.0000 H 0 0 0
- 3.1852 -6.3764 0.0000 H 0 0 0
- 5.0544 -3.8367 0.0000 H 0 0 0
- 4.9557 -6.4690 0.0000 H 0 0 0
- 6.7495 -3.7423 0.0000 H 0 0 0
- 6.6599 -6.3745 0.0000 H 0 0 0
- -0.1268 -4.3303 0.0000 H 0 0 0
- 1.1242 -5.1117 0.0000 H 0 0 0
- 3.9804 -3.5167 0.0000 H 0 0 0
- 3.6148 -1.9741 0.0000 H 0 0 0
- 2.0722 -2.3397 0.0000 H 0 0 0
- 3.5174 -4.2888 0.0000 H 0 0 0
- 3.2028 -2.7350 0.0000 H 0 0 0
- 1.6490 -3.0496 0.0000 H 0 0 0
- 8.3504 -4.9962 0.0000 H 0 0 0
- 1.3967 -2.3204 0.0000 H 0 0 0
- 0.1457 -1.5390 0.0000 H 0 0 0
- -2.2468 -3.0085 0.0000 H 0 0 0
- -0.9958 -3.7898 0.0000 H 0 0 0
- -0.7236 -0.9987 0.0000 H 0 0 0
- -1.9746 -0.2174 0.0000 H 0 0 0
- -4.3671 -1.6868 0.0000 H 0 0 0
- -3.1161 -2.4682 0.0000 H 0 0 0
- -2.8436 0.3231 0.0000 H 0 0 0
- -4.0946 1.1045 0.0000 H 0 0 0
- -6.4872 -0.3650 0.0000 H 0 0 0
- -5.2362 -1.1464 0.0000 H 0 0 0
- -4.9637 1.6449 0.0000 H 0 0 0
- -6.2148 2.4262 0.0000 H 0 0 0
- -8.6073 0.9567 0.0000 H 0 0 0
- -7.3562 0.1754 0.0000 H 0 0 0
- -7.0838 2.9666 0.0000 H 0 0 0
- -8.3348 3.7480 0.0000 H 0 0 0
- -10.7275 2.2785 0.0000 H 0 0 0
- -9.4765 1.4971 0.0000 H 0 0 0
- -9.2040 4.2884 0.0000 H 0 0 0
- -10.4550 5.0698 0.0000 H 0 0 0
- -12.8476 3.6003 0.0000 H 0 0 0
- -11.5965 2.8189 0.0000 H 0 0 0
- -11.3776 5.7513 0.0000 H 0 0 0
- -12.8635 6.3040 0.0000 H 0 0 0
- -13.4162 4.8181 0.0000 H 0 0 0
- 12.5223 12.9323 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 7 11 2 0
- 2 26 1 0
- 2 27 1 0
- 3 28 1 0
- 4 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 10 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7097-60-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 35 1 V2000
- -9.4247 -0.5182 0.0491 I 0 0 0
- -10.8618 0.6504 0.6901 O 0 0 0
- -8.0554 -0.3333 1.0455 O 0 0 0
- -9.9469 -2.1390 0.0966 O 0 0 0
- -9.0226 -0.0979 -1.5521 O 0 0 0
- 8.9855 -0.3283 -0.2829 C 0 0 0
- 7.9973 0.4752 0.1579 N 0 0 0
- 10.3123 -0.3522 0.4313 C 0 0 0
- 8.8053 -1.0358 -1.2513 O 0 0 0
- 6.7075 0.4984 -0.5364 C 0 0 0
- 11.2095 -1.2981 -0.2368 N 0 0 0
- 5.7845 1.4715 0.1508 C 0 0 0
- 12.4595 -1.4865 0.2308 C 0 0 0
- 4.5346 1.6598 -0.3168 N 0 0 0
- 6.1665 2.0852 1.1247 O 0 0 0
- 13.3825 -2.4595 -0.4565 C 0 0 0
- 12.8415 -0.8728 1.2046 O 0 0 0
- 3.6373 2.6058 0.3514 C 0 0 0
- 14.6758 -2.4828 0.2397 N 0 0 0
- 2.3106 2.6296 -0.3629 C 0 0 0
- 1.3264 3.4299 0.0761 O 0 0 0
- 2.1327 1.9285 -1.3306 O 0 0 0
- -11.6135 1.2616 0.0000 H 0 0 0
- 8.3298 1.3852 0.0000 H 0 0 0
- 11.1625 0.1123 0.0000 H 0 0 0
- 10.0811 0.5886 0.0000 H 0 0 0
- 5.8573 0.0339 0.0000 H 0 0 0
- 6.9387 -0.4424 0.0000 H 0 0 0
- 10.7615 -2.1571 0.0000 H 0 0 0
- 4.0866 0.8008 0.0000 H 0 0 0
- 12.5323 -2.9240 0.0000 H 0 0 0
- 13.6137 -3.4003 0.0000 H 0 0 0
- 4.4875 3.0703 0.0000 H 0 0 0
- 3.4060 3.5466 0.0000 H 0 0 0
- 15.1450 -3.3304 0.0000 H 0 0 0
- 15.1752 -1.6526 0.0000 H 0 0 0
- 0.5747 4.0411 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 2 0
- 1 5 2 0
- 6 7 1 0
- 6 8 1 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 16 19 1 0
- 18 20 1 0
- 20 21 1 0
- 20 22 2 0
- 2 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-835-64-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.7442 -2.1080 -0.0005 O 0 0 0
- -2.3598 -0.8981 0.0008 C 0 0 0
- -1.5991 0.2781 0.0009 C 0 0 0
- -3.7438 -0.8214 -0.0037 C 0 0 0
- -0.1244 0.2083 -0.0005 C 0 0 0
- -2.2432 1.5169 0.0017 C 0 0 0
- -4.3691 0.4104 -0.0029 C 0 0 0
- 0.6764 1.2446 -0.0005 N 0 0 0
- 0.5947 -0.9303 0.0041 O 0 0 0
- -3.6207 1.5755 0.0025 C 0 0 0
- 1.9608 0.8036 -0.0019 C 0 0 0
- 1.9055 -0.5999 0.0011 C 0 0 0
- 3.2009 1.4462 -0.0021 C 0 0 0
- 3.0798 -1.3356 0.0036 C 0 0 0
- 4.3575 0.6985 -0.0031 C 0 0 0
- 4.2980 -0.6869 -0.0004 C 0 0 0
- -1.2738 -3.0325 0.0000 H 0 0 0
- -4.3107 -1.6901 0.0000 H 0 0 0
- -1.6861 2.3919 0.0000 H 0 0 0
- -5.4051 0.4629 0.0000 H 0 0 0
- -4.0985 2.4962 0.0000 H 0 0 0
- 3.2506 2.4823 0.0000 H 0 0 0
- 3.0433 -2.3723 0.0000 H 0 0 0
- 5.2790 1.1747 0.0000 H 0 0 0
- 5.1757 -1.2398 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 8 1 0
- 12 9 1 0
- 13 11 2 0
- 14 12 2 0
- 15 13 1 0
- 16 14 1 0
- 7 10 1 0
- 11 12 1 0
- 15 16 2 0
- 1 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-38-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- 0.0000 -0.1066 -0.1977 P 0 0 0
- -1.3146 0.1659 0.6910 O 0 0 0
- 1.3146 0.1659 0.6910 O 0 0 0
- 0.0000 -1.8383 -0.7676 C 0 0 0
- 0.0000 0.7982 -1.3689 O 0 0 0
- -2.3037 0.7039 -0.1888 C 0 0 0
- 2.3037 0.7039 -0.1889 C 0 0 0
- 0.0000 -2.7736 0.4432 C 0 0 0
- -3.5856 0.9869 0.5971 C 0 0 0
- 3.5856 0.9869 0.5970 C 0 0 0
- -0.8527 -1.3460 0.0000 H 0 0 0
- -0.8527 -2.3306 0.0000 H 0 0 0
- -1.5155 1.2940 0.0000 H 0 0 0
- -2.5115 1.6663 0.0000 H 0 0 0
- 2.5115 1.6663 0.0000 H 0 0 0
- 1.5155 1.2940 0.0000 H 0 0 0
- -0.9846 -2.7736 0.0000 H 0 0 0
- 0.0000 -3.7582 0.0000 H 0 0 0
- 0.9846 -2.7736 0.0000 H 0 0 0
- -3.3733 1.9483 0.0000 H 0 0 0
- -4.5470 1.1991 0.0000 H 0 0 0
- -3.7978 0.0255 0.0000 H 0 0 0
- 3.7978 0.0255 0.0000 H 0 0 0
- 4.5470 1.1991 0.0000 H 0 0 0
- 3.3733 1.9483 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-79-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.3138 0.9232 0.2169 C 0 0 0
- -2.0674 -0.2079 -0.1490 C 0 0 0
- 0.0629 0.7351 0.7299 C 0 0 0
- -1.8646 2.1898 0.0876 C 0 0 0
- -1.4591 -1.5490 -0.0097 C 0 0 0
- -3.3599 -0.0508 -0.6318 C 0 0 0
- 0.7203 -0.5675 0.5690 C 0 0 0
- 0.6432 1.6514 1.2797 O 0 0 0
- -3.1552 2.3320 -0.4017 C 0 0 0
- 0.0035 -1.6575 0.2182 C 0 0 0
- -2.1468 -2.5473 -0.0803 O 0 0 0
- -3.8989 1.2216 -0.7503 C 0 0 0
- 2.2050 -0.6896 0.7968 C 0 0 0
- 0.6214 -2.8529 0.0739 O 0 0 0
- 2.9339 -0.4428 -0.4989 C 0 0 0
- 3.7933 0.5417 -0.5896 C 0 0 0
- 4.5223 0.7885 -1.8853 C 0 0 0
- 4.0530 1.4275 0.6016 C 0 0 0
- -1.2699 2.9966 0.0000 H 0 0 0
- -3.9629 -0.8514 0.0000 H 0 0 0
- -3.5780 3.2408 0.0000 H 0 0 0
- -4.8967 1.3164 0.0000 H 0 0 0
- 1.7515 -1.5835 0.0000 H 0 0 0
- 2.8613 -1.4472 0.0000 H 0 0 0
- 1.0817 -3.7433 0.0000 H 0 0 0
- 3.4914 -1.2758 0.0000 H 0 0 0
- 4.8437 -0.1609 0.0000 H 0 0 0
- 5.4717 1.1099 0.0000 H 0 0 0
- 4.2009 1.7379 0.0000 H 0 0 0
- 5.0148 1.1455 0.0000 H 0 0 0
- 4.3350 2.3893 0.0000 H 0 0 0
- 3.0912 1.7095 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 16 18 1 0
- 7 10 2 0
- 9 12 2 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-589-15-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -2.4304 0.0121 -1.2356 C 0 0 0
- -3.5176 -0.0039 0.4023 Br 0 0 0
- -0.9688 0.0085 -0.8685 C 0 0 0
- -0.2988 -1.1902 -0.7119 C 0 0 0
- -0.2971 1.2043 -0.6940 C 0 0 0
- 1.0421 -1.1941 -0.3756 C 0 0 0
- 1.0433 1.2015 -0.3577 C 0 0 0
- 1.7131 0.0019 -0.1957 C 0 0 0
- 3.5471 -0.0027 0.2649 Br 0 0 0
- -1.9190 0.9046 0.0000 H 0 0 0
- -2.9527 0.8983 0.0000 H 0 0 0
- -0.8206 -2.0767 0.0000 H 0 0 0
- -0.8157 2.0926 0.0000 H 0 0 0
- 1.5606 -2.0825 0.0000 H 0 0 0
- 1.5649 2.0881 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119613-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- 1.0828 -0.0650 0.3163 C 0 0 0
- -0.3023 0.1632 0.2476 C 0 0 0
- 2.0040 1.0841 0.6046 C 0 0 1
- 1.5639 -1.3262 0.1286 C 0 0 0
- -1.1721 -0.9206 -0.0013 C 0 0 0
- -0.8297 1.4639 0.4245 C 0 0 0
- 3.4455 0.9056 0.1684 C 0 0 2
- 2.5195 1.6984 -0.5778 O 0 0 0
- 0.7026 -2.3916 -0.1155 C 0 0 0
- 3.0503 -1.5721 0.1740 C 0 0 1
- -2.6145 -0.6669 -0.0639 C 0 0 0
- -0.6474 -2.2018 -0.1811 C 0 0 0
- -2.1563 1.6978 0.3664 C 0 0 0
- 0.1111 2.6122 0.6839 C 0 0 0
- 3.7778 -0.4160 -0.5038 C 0 0 1
- 3.4755 -1.6703 1.5347 O 0 0 0
- -3.0797 0.6539 0.1255 C 0 0 0
- -3.5278 -1.6949 -0.3050 C 0 0 0
- 0.2167 3.4788 -0.5725 C 0 0 0
- 3.4009 -0.3579 -1.8810 O 0 0 0
- -4.4576 0.9072 0.0706 C 0 0 0
- -4.8637 -1.4153 -0.3544 C 0 0 0
- -5.3258 -0.1181 -0.1653 C 0 0 0
- 1.2066 1.7382 0.0000 H 0 0 0
- 4.3223 1.4486 0.0000 H 0 0 0
- 1.0810 -3.3510 0.0000 H 0 0 0
- 2.8500 -2.5838 0.0000 H 0 0 0
- -1.2804 -3.0160 0.0000 H 0 0 0
- -2.4964 2.6714 0.0000 H 0 0 0
- 0.6494 1.7325 0.0000 H 0 0 0
- 1.1189 2.8312 0.0000 H 0 0 0
- 4.7963 -0.5779 0.0000 H 0 0 0
- 4.4804 -1.9024 0.0000 H 0 0 0
- -3.2043 -2.6742 0.0000 H 0 0 0
- 1.2405 3.3541 0.0000 H 0 0 0
- 0.3414 4.5026 0.0000 H 0 0 0
- -0.8071 3.6035 0.0000 H 0 0 0
- 2.3816 -0.2008 0.0000 H 0 0 0
- -4.8046 1.8784 0.0000 H 0 0 0
- -5.5418 -2.1924 0.0000 H 0 0 0
- -6.3404 0.0667 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 14 19 1 0
- 15 20 1 0
- 17 21 1 0
- 18 22 2 0
- 21 23 2 0
- 7 8 1 0
- 9 12 2 0
- 10 15 1 0
- 13 17 1 0
- 22 23 1 0
- 3 24 1 0
- 7 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4424-06-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 51 1 V2000
- 0.6964 -0.0791 -0.0011 C 0 0 0
- -0.6961 0.0823 -0.0007 C 0 0 0
- 1.5376 1.0580 0.0001 C 0 0 0
- 1.2547 -1.3784 0.0032 C 0 0 0
- -1.5367 -1.0551 -0.0015 C 0 0 0
- -1.2555 1.3812 0.0009 C 0 0 0
- 2.9991 0.8549 -0.0004 C 0 0 0
- 0.9691 2.3243 0.0008 C 0 0 0
- 2.7190 -1.5131 0.0026 C 0 0 0
- 0.4104 -2.4819 0.0073 C 0 0 0
- -2.9983 -0.8528 -0.0012 C 0 0 0
- -0.9689 -2.3216 -0.0030 C 0 0 0
- -2.7200 1.5147 0.0013 C 0 0 0
- -0.4105 2.4840 0.0017 C 0 0 0
- 3.5107 -0.4216 -0.0020 N 0 0 0
- 3.9864 1.7231 0.0004 N 0 0 0
- 3.2211 -2.6203 0.0063 O 0 0 0
- -3.5115 0.4229 0.0000 N 0 0 0
- -3.9841 -1.7227 -0.0022 N 0 0 0
- -3.2226 2.6217 0.0027 O 0 0 0
- 4.8935 -0.3045 -0.0022 C 0 0 0
- 5.1728 1.0732 -0.0006 C 0 0 0
- -4.8941 0.3037 -0.0004 C 0 0 0
- -5.1713 -1.0745 -0.0018 C 0 0 0
- 5.9335 -1.2212 -0.0035 C 0 0 0
- 6.5050 1.5036 -0.0004 C 0 0 0
- -5.9360 1.2184 0.0007 C 0 0 0
- -6.5025 -1.5077 -0.0026 C 0 0 0
- 7.2391 -0.7742 -0.0033 C 0 0 0
- 7.5163 0.5854 -0.0017 C 0 0 0
- -7.2405 0.7683 0.0003 C 0 0 0
- -7.5158 -0.5917 -0.0019 C 0 0 0
- 1.5840 3.1641 0.0000 H 0 0 0
- 0.8167 -3.4401 0.0000 H 0 0 0
- -1.5842 -3.1611 0.0000 H 0 0 0
- -0.8166 3.4423 0.0000 H 0 0 0
- 5.7305 -2.2420 0.0000 H 0 0 0
- 6.7244 2.5210 0.0000 H 0 0 0
- -5.7352 2.2397 0.0000 H 0 0 0
- -6.7197 -2.5256 0.0000 H 0 0 0
- 8.0209 -1.4613 0.0000 H 0 0 0
- 8.5055 0.9091 0.0000 H 0 0 0
- -8.0236 1.4539 0.0000 H 0 0 0
- -8.5044 -0.9172 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 2 0
- 9 17 2 0
- 11 18 1 0
- 11 19 2 0
- 13 20 2 0
- 15 21 1 0
- 16 22 1 0
- 18 23 1 0
- 19 24 1 0
- 21 25 1 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 25 29 2 0
- 26 30 2 0
- 27 31 2 0
- 28 32 2 0
- 8 14 1 0
- 9 15 1 0
- 10 12 1 0
- 13 18 1 0
- 21 22 2 0
- 23 24 2 0
- 29 30 1 0
- 31 32 1 0
- 8 33 1 0
- 10 34 1 0
- 12 35 1 0
- 14 36 1 0
- 25 37 1 0
- 26 38 1 0
- 27 39 1 0
- 28 40 1 0
- 29 41 1 0
- 30 42 1 0
- 31 43 1 0
- 32 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-627-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.6429 -0.2436 0.0000 C 0 0 0
- -1.9612 0.5331 -0.0001 C 0 0 0
- 0.5287 0.7405 0.0000 C 0 0 0
- -3.0554 -0.3860 -0.0002 O 0 0 0
- 2.0821 -0.1747 0.0002 Cl 0 0 0
- -1.3334 -1.1602 0.0000 H 0 0 0
- 0.1898 -1.0333 0.0000 H 0 0 0
- -1.2707 1.4497 0.0000 H 0 0 0
- -2.7939 1.3228 0.0000 H 0 0 0
- 1.2192 1.6571 0.0000 H 0 0 0
- -0.3040 1.5302 0.0000 H 0 0 0
- -3.9341 -1.1241 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-527-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.1416 0.0000 0.0013 C 0 0 0
- -0.4031 -1.2792 0.0007 C 0 0 0
- -0.4031 1.2792 0.0007 C 0 0 0
- -2.3560 0.0000 -0.0029 O 0 0 0
- 0.9370 -1.2792 0.0000 C 0 0 0
- -1.1566 -2.5843 0.0013 C 0 0 0
- 0.9370 1.2792 0.0001 C 0 0 0
- -1.1566 2.5843 0.0014 C 0 0 0
- 1.6756 0.0000 -0.0006 C 0 0 0
- 2.8900 0.0000 -0.0007 O 0 0 0
- 1.4909 -2.2386 0.0000 H 0 0 0
- -2.1160 -2.0304 0.0000 H 0 0 0
- -1.7105 -3.5437 0.0000 H 0 0 0
- -0.1972 -3.1382 0.0000 H 0 0 0
- 1.4909 2.2386 0.0000 H 0 0 0
- -0.1972 3.1382 0.0000 H 0 0 0
- -1.7105 3.5437 0.0000 H 0 0 0
- -2.1160 2.0304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 1 0
- 9 10 2 0
- 7 9 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1083-57-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 0.2110 0.5987 -0.4439 C 0 0 0
- 0.5251 -0.7014 -0.8158 C 0 0 0
- 1.1998 1.4351 0.0570 C 0 0 0
- -1.1020 1.0686 -0.5795 N 0 0 0
- 1.8208 -1.1621 -0.6872 C 0 0 0
- 2.4947 0.9733 0.1850 C 0 0 0
- -2.1203 0.3981 -0.0051 C 0 0 0
- 2.8079 -0.3262 -0.1868 C 0 0 0
- -3.5426 0.8287 -0.2559 C 0 0 0
- -1.8921 -0.5519 0.7136 O 0 0 0
- 4.0832 -0.7806 -0.0601 O 0 0 0
- -4.4964 -0.0922 0.5077 C 0 0 0
- 4.8544 0.2971 0.4747 C 0 0 0
- -5.9403 0.3451 0.2531 C 0 0 0
- -4.3201 -1.4376 0.0596 O 0 0 0
- 6.3078 -0.1503 0.6430 C 0 0 0
- -0.2249 -1.3768 0.0000 H 0 0 0
- 1.0193 2.4281 0.0000 H 0 0 0
- -1.2221 2.0707 0.0000 H 0 0 0
- 2.0020 -2.1550 0.0000 H 0 0 0
- 3.2452 1.6481 0.0000 H 0 0 0
- -3.0913 1.7314 0.0000 H 0 0 0
- -4.3561 1.4260 0.0000 H 0 0 0
- -3.5437 -0.4253 0.0000 H 0 0 0
- 5.2531 1.2243 0.0000 H 0 0 0
- 3.9754 0.7930 0.0000 H 0 0 0
- -5.6478 1.3110 0.0000 H 0 0 0
- -6.9062 0.6376 0.0000 H 0 0 0
- -6.2328 -0.6208 0.0000 H 0 0 0
- -4.1890 -2.4383 0.0000 H 0 0 0
- 6.0109 -1.1149 0.0000 H 0 0 0
- 7.2724 -0.4472 0.0000 H 0 0 0
- 6.6047 0.8143 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 6 8 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 9 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22603-58-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.0250 -1.2306 0.0025 C 0 0 0
- -1.1924 -0.5793 -0.0191 C 0 0 0
- 1.2039 -0.4957 0.0198 C 0 0 0
- 0.0738 -2.7100 0.0133 N 0 3 0
- -1.2390 0.8030 -0.0239 C 0 0 0
- -2.4718 -1.3756 -0.0379 C 0 0 0
- 1.1535 0.8922 0.0154 C 0 0 0
- 2.4371 -1.1513 0.0412 N 0 0 0
- 0.1086 -3.3259 -1.0369 O 0 0 0
- 0.0790 -3.3114 1.0725 O 0 5 0
- -0.0677 1.5373 -0.0071 C 0 0 0
- -2.5459 1.4977 -0.0475 N 0 3 0
- 2.4070 1.6793 0.0333 N 0 3 0
- -2.8816 2.1302 -1.0328 O 0 0 0
- -3.2855 1.4369 0.9183 O 0 5 0
- 2.5881 2.5165 0.8992 O 0 0 0
- 3.2574 1.4896 -0.8178 O 0 5 0
- -3.0197 -0.4953 0.0000 H 0 0 0
- -3.3521 -1.9235 0.0000 H 0 0 0
- -1.9239 -2.2559 0.0000 H 0 0 0
- 2.4734 -2.1875 0.0000 H 0 0 0
- 3.3163 -0.6018 0.0000 H 0 0 0
- -0.1060 2.5734 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 12 14 2 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 7 11 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-89-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.8726 -0.0682 -0.5098 C 0 0 0
- -2.2359 -0.6111 -0.0765 C 0 0 0
- -1.8266 0.7314 0.1920 O 0 0 0
- 0.2025 -0.5526 0.4651 C 0 0 0
- 1.8090 0.0872 -0.0456 Cl 0 0 0
- -0.3131 0.8234 0.0000 H 0 0 0
- -3.2859 -0.5365 0.0000 H 0 0 0
- -2.0744 -1.6513 0.0000 H 0 0 0
- -0.4590 -1.3714 0.0000 H 0 0 0
- 0.8270 -1.3999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-584-79-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 49 1 V2000
- 2.4939 -0.2496 0.0717 C 0 0 0
- 2.3568 1.1247 0.7302 C 0 0 0
- 3.1474 0.9754 -0.5712 C 0 0 0
- 3.5404 -1.0532 0.7997 C 0 0 0
- 0.9941 1.6928 0.4277 C 0 0 0
- 4.6710 1.0881 -0.4890 C 0 0 0
- 2.5131 1.5246 -1.8506 C 0 0 0
- 3.7686 -2.2963 0.4553 C 0 0 0
- -0.0399 0.8692 0.1951 O 0 0 0
- 0.8324 2.8898 0.3947 O 0 0 0
- 4.8152 -3.1000 1.1833 C 0 0 0
- 2.9846 -2.9228 -0.6689 C 0 0 0
- -1.3528 1.4167 -0.0964 C 0 0 0
- -2.1051 0.4674 -0.9950 C 0 0 0
- -2.1754 1.4954 1.2018 C 0 0 0
- -3.1979 0.0234 -0.3907 C 0 0 0
- -1.6748 0.0787 -2.3859 C 0 0 0
- -3.3515 0.5761 0.9505 C 0 0 0
- -4.1706 -0.9420 -1.0175 C 0 0 0
- -4.2570 0.3421 1.7234 O 0 0 0
- -3.8665 -2.3399 -0.5440 C 0 0 0
- -4.7750 -3.0230 0.1073 C 0 0 0
- 1.6656 -0.7104 0.0000 H 0 0 0
- 2.6286 2.0328 0.0000 H 0 0 0
- 4.3491 -0.5588 0.0000 H 0 0 0
- 4.7409 0.1428 0.0000 H 0 0 0
- 5.6163 1.1580 0.0000 H 0 0 0
- 4.6011 2.0334 0.0000 H 0 0 0
- 3.1336 2.2412 0.0000 H 0 0 0
- 1.7965 2.1451 0.0000 H 0 0 0
- 1.8926 0.8080 0.0000 H 0 0 0
- 4.2379 -3.8518 0.0000 H 0 0 0
- 5.5670 -3.6773 0.0000 H 0 0 0
- 5.3925 -2.3482 0.0000 H 0 0 0
- 2.3929 -2.1823 0.0000 H 0 0 0
- 2.2441 -3.5145 0.0000 H 0 0 0
- 3.5763 -3.6633 0.0000 H 0 0 0
- -1.1227 2.3362 0.0000 H 0 0 0
- -1.8361 2.3805 0.0000 H 0 0 0
- -2.9376 2.0590 0.0000 H 0 0 0
- -2.3102 -0.6247 0.0000 H 0 0 0
- -0.9714 -0.5567 0.0000 H 0 0 0
- -1.0394 0.7821 0.0000 H 0 0 0
- -4.6999 -0.1557 0.0000 H 0 0 0
- -5.0424 -1.3141 0.0000 H 0 0 0
- -2.9780 -2.6702 0.0000 H 0 0 0
- -5.6472 -2.6517 0.0000 H 0 0 0
- -4.6605 -3.9640 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 18 20 2 0
- 19 21 1 0
- 21 22 2 0
- 2 3 1 0
- 16 18 1 0
- 1 23 1 0
- 2 24 1 0
- 4 25 1 0
- 6 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 7 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 15 39 1 0
- 15 40 1 0
- 17 41 1 0
- 17 42 1 0
- 17 43 1 0
- 19 44 1 0
- 19 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52671-42-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.1322 -1.0237 -0.0823 C 0 0 0
- -1.1006 -1.5561 -0.2543 O 0 0 0
- 0.6602 -0.8979 1.2039 C 0 0 0
- 0.8697 -0.6094 -1.1924 C 0 0 0
- -1.9895 -0.5359 -0.1316 C 0 0 0
- 1.8993 -0.3641 1.3865 C 0 0 0
- 2.1108 -0.0732 -1.0291 C 0 0 0
- -3.3521 -0.7996 -0.1115 C 0 0 0
- -1.5366 0.7709 -0.0203 C 0 0 0
- 2.6512 0.0631 0.2690 C 0 0 0
- -4.2534 0.2392 0.0138 C 0 0 0
- -2.4426 1.8063 0.1048 C 0 0 0
- 3.8648 0.5871 0.4383 N 0 0 0
- -3.7995 1.5413 0.1193 C 0 0 0
- 4.5098 0.9541 -0.5275 O 0 0 0
- 0.9792 -1.8593 0.0000 H 0 0 0
- 0.4202 0.2983 0.0000 H 0 0 0
- 2.3506 -1.2710 0.0000 H 0 0 0
- 1.7850 0.8859 0.0000 H 0 0 0
- -3.6827 -1.7571 0.0000 H 0 0 0
- -0.5424 0.9648 0.0000 H 0 0 0
- -5.2482 0.0483 0.0000 H 0 0 0
- -2.1148 2.7647 0.0000 H 0 0 0
- -4.4629 2.3067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 2 0
- 7 10 2 0
- 12 14 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58152-03-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 84 1 V2000
- -0.6389 -0.1122 0.1402 C 0 0 1
- -0.9430 -1.4730 -0.4896 C 0 0 1
- 0.6994 0.4071 -0.3892 C 0 0 2
- -1.6755 0.8115 -0.1979 O 0 0 0
- 0.1669 -2.4620 -0.1277 C 0 0 0
- -2.2245 -1.9702 0.0172 N 0 0 0
- 1.8093 -0.5819 -0.0272 C 0 0 1
- 0.9835 1.6780 0.1991 O 0 0 0
- -2.5006 0.9485 0.9607 C 0 0 2
- 1.5052 -1.9427 -0.6570 C 0 0 1
- -2.9914 -2.7657 -0.7544 C 0 0 0
- 3.0593 -0.0969 -0.5216 O 0 0 0
- -3.9429 1.2247 0.5301 C 0 0 1
- -2.0205 2.0269 1.7614 O 0 0 0
- 2.5708 -2.8922 -0.3095 N 0 0 0
- -4.3096 -3.2772 -0.2330 C 0 0 2
- -2.6207 -3.0700 -1.8684 O 0 0 0
- 3.6276 0.7093 0.5123 C 0 0 1
- -3.9766 2.5067 -0.3097 C 0 0 2
- -4.4243 0.1301 -0.2523 O 0 0 0
- -1.9121 3.1738 0.9204 C 0 0 0
- -4.0712 -4.1063 1.0305 C 0 0 0
- -4.9311 -4.0931 -1.2280 O 0 0 0
- 4.4246 -0.1074 1.3681 O 0 0 0
- 4.4941 1.8048 -0.1131 C 0 0 1
- -3.3063 3.6321 0.4864 C 0 0 1
- -5.3715 2.8705 -0.5921 N 0 0 0
- -5.3561 -4.6049 1.5387 N 0 0 0
- 5.3429 -0.8258 0.5465 C 0 0 1
- 5.5967 1.1506 -0.9534 C 0 0 2
- 3.6844 2.6322 -0.9509 O 0 0 0
- -3.1849 4.8787 -0.3924 C 0 0 0
- -4.0926 3.9354 1.6404 O 0 0 0
- -5.5651 2.7090 -2.0393 C 0 0 0
- 6.3498 0.1440 -0.0761 C 0 0 2
- 6.0873 -1.8580 1.3959 C 0 0 0
- 6.5042 2.1543 -1.4129 O 0 0 0
- 7.2798 -0.5855 -0.8792 O 0 0 0
- 5.1164 -2.7425 2.0540 N 0 0 0
- 0.1016 -0.7490 0.0000 H 0 0 0
- -1.6835 -0.8361 0.0000 H 0 0 0
- -0.0411 1.0440 0.0000 H 0 0 0
- -0.5893 -3.0802 0.0000 H 0 0 0
- 0.6588 -3.3058 0.0000 H 0 0 0
- -2.7654 -1.1569 0.0000 H 0 0 0
- 2.5498 -1.2187 0.0000 H 0 0 0
- 1.1966 2.6312 0.0000 H 0 0 0
- -2.6725 -0.0130 0.0000 H 0 0 0
- 0.7647 -1.3059 0.0000 H 0 0 0
- -4.9013 1.4130 0.0000 H 0 0 0
- 2.3727 -3.8486 0.0000 H 0 0 0
- 3.4981 -2.5856 0.0000 H 0 0 0
- -4.8968 -2.4967 0.0000 H 0 0 0
- 2.8451 1.2938 0.0000 H 0 0 0
- -3.0316 2.2599 0.0000 H 0 0 0
- -4.8175 -0.7640 0.0000 H 0 0 0
- -0.9493 3.0098 0.0000 H 0 0 0
- -1.6770 4.1218 0.0000 H 0 0 0
- -3.7454 -5.0271 0.0000 H 0 0 0
- -3.1411 -3.8083 0.0000 H 0 0 0
- -5.5229 -4.8701 0.0000 H 0 0 0
- 5.0974 2.5729 0.0000 H 0 0 0
- -5.5847 3.8236 0.0000 H 0 0 0
- -6.1174 -3.9930 0.0000 H 0 0 0
- -5.5054 -5.5701 0.0000 H 0 0 0
- 4.6389 -1.5028 0.0000 H 0 0 0
- 4.9439 0.4241 0.0000 H 0 0 0
- 3.0013 3.3303 0.0000 H 0 0 0
- -2.2128 4.7840 0.0000 H 0 0 0
- -3.0902 5.8508 0.0000 H 0 0 0
- -4.1570 4.9734 0.0000 H 0 0 0
- -5.0039 4.2869 0.0000 H 0 0 0
- -6.1907 3.4590 0.0000 H 0 0 0
- -6.3151 2.0834 0.0000 H 0 0 0
- -4.9395 1.9590 0.0000 H 0 0 0
- 7.0483 0.8267 0.0000 H 0 0 0
- 6.7171 -2.6045 0.0000 H 0 0 0
- 6.8572 -1.2570 0.0000 H 0 0 0
- 7.1592 2.8788 0.0000 H 0 0 0
- 8.0483 -1.1883 0.0000 H 0 0 0
- 4.1858 -2.4461 0.0000 H 0 0 0
- 5.3250 -3.6967 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 9 4 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 2 0
- 18 12 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 1 0
- 16 22 1 0
- 16 23 1 0
- 18 24 1 0
- 18 25 1 0
- 19 26 1 0
- 19 27 1 0
- 22 28 1 0
- 24 29 1 0
- 25 30 1 0
- 25 31 1 0
- 26 32 1 0
- 26 33 1 0
- 27 34 1 0
- 29 35 1 0
- 29 36 1 0
- 30 37 1 0
- 35 38 1 0
- 36 39 1 0
- 7 10 1 0
- 21 26 1 0
- 30 35 1 0
- 1 40 1 0
- 2 41 1 0
- 3 42 1 0
- 5 43 1 0
- 5 44 1 0
- 6 45 1 0
- 7 46 1 0
- 8 47 1 0
- 9 48 1 0
- 10 49 1 0
- 13 50 1 0
- 15 51 1 0
- 15 52 1 0
- 16 53 1 0
- 18 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 25 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 29 66 1 0
- 30 67 1 0
- 31 68 1 0
- 32 69 1 0
- 32 70 1 0
- 32 71 1 0
- 33 72 1 0
- 34 73 1 0
- 34 74 1 0
- 34 75 1 0
- 35 76 1 0
- 36 77 1 0
- 36 78 1 0
- 37 79 1 0
- 38 80 1 0
- 39 81 1 0
- 39 82 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134998-77-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.1631 0.4201 -0.0030 C 0 0 0
- 0.1783 -0.9511 0.0216 C 0 0 0
- 0.8367 1.4138 -0.0257 C 0 0 0
- -1.5258 0.7962 -0.0106 C 0 0 0
- 1.5277 -1.3602 0.0235 C 0 0 0
- -0.8486 -1.9220 0.0440 C 0 0 0
- 2.2560 1.0197 -0.0243 C 0 0 0
- 0.4684 2.7548 -0.0495 C 0 0 0
- -2.5302 -0.2017 0.0069 C 0 0 0
- -1.8603 2.1546 -0.0350 C 0 0 0
- 2.5964 -0.3467 -0.0004 C 0 0 0
- 1.8315 -2.7170 0.0474 C 0 0 0
- -2.2037 -1.5116 0.0422 C 0 0 0
- -0.5067 -3.2789 0.0681 C 0 0 0
- 3.2659 1.9815 -0.0469 C 0 0 0
- -0.8689 3.1119 -0.0510 C 0 0 0
- -3.9560 0.1962 -0.0006 N 0 3 0
- 3.9394 -0.7231 0.0010 C 0 0 0
- 0.8175 -3.6595 0.0692 C 0 0 0
- 4.5863 1.5887 -0.0455 C 0 0 0
- -4.3499 1.0645 0.7573 O 0 0 0
- -4.7352 -0.3448 -0.7646 O 0 5 0
- 4.9215 0.2426 -0.0216 C 0 0 0
- 1.2054 3.4971 0.0000 H 0 0 0
- -2.8654 2.4444 0.0000 H 0 0 0
- 2.8306 -3.0270 0.0000 H 0 0 0
- -2.9616 -2.2326 0.0000 H 0 0 0
- -1.2585 -4.0063 0.0000 H 0 0 0
- 3.0214 2.9986 0.0000 H 0 0 0
- -1.1312 4.1245 0.0000 H 0 0 0
- 4.2001 -1.7362 0.0000 H 0 0 0
- 1.0606 -4.6769 0.0000 H 0 0 0
- 5.3425 2.3115 0.0000 H 0 0 0
- 5.9283 -0.0413 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 15 20 2 0
- 17 21 2 0
- 17 22 1 0
- 18 23 2 0
- 7 11 2 0
- 9 13 2 0
- 10 16 1 0
- 14 19 2 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122367-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 52 1 V2000
- -0.0382 0.7184 -0.4921 C 0 0 0
- -0.8459 -0.4183 -0.4197 C 0 0 0
- 1.3592 0.7427 -0.4143 C 0 0 0
- -0.5127 2.0925 -0.6564 C 0 0 0
- -2.3247 -0.2001 -0.5369 C 0 0 2
- -0.1825 -1.5928 -0.2529 C 0 0 0
- 1.7086 2.0536 -0.5353 N 0 0 0
- 2.0107 -0.4777 -0.2445 C 0 0 0
- 0.5774 2.8438 -0.6771 C 0 0 0
- -1.9967 2.3363 -0.7524 C 0 0 0
- -2.7179 1.1879 -0.0306 C 0 0 1
- -3.0566 -1.2682 0.2841 C 0 0 0
- 1.2097 -1.6102 -0.1685 C 0 0 0
- 3.0841 2.5576 -0.5179 C 0 0 0
- -4.1662 1.3809 -0.1770 N 0 0 0
- -4.5628 -0.9998 0.2303 C 0 0 2
- 2.0614 -3.2825 0.0640 Br 0 0 0
- 3.4892 2.8848 0.9207 C 0 0 0
- -4.8320 0.4268 0.7149 C 0 0 0
- -4.4677 2.7226 0.3396 C 0 0 0
- -5.2905 -1.9928 1.1388 C 0 0 0
- 4.9257 3.4112 0.9388 C 0 0 0
- 3.7521 4.3867 1.0474 C 0 0 0
- -3.3568 -0.0311 0.0000 H 0 0 0
- -0.7153 -2.4927 0.0000 H 0 0 0
- 3.0545 -0.5432 0.0000 H 0 0 0
- 0.5807 3.8896 0.0000 H 0 0 0
- -1.6922 3.3368 0.0000 H 0 0 0
- -2.9481 2.7705 0.0000 H 0 0 0
- -1.6826 1.0395 0.0000 H 0 0 0
- -3.3834 -2.2617 0.0000 H 0 0 0
- -2.1191 -1.7318 0.0000 H 0 0 0
- 3.0183 1.5138 0.0000 H 0 0 0
- 4.0131 2.0773 0.0000 H 0 0 0
- -5.5827 -0.7686 0.0000 H 0 0 0
- 4.0046 1.9748 0.0000 H 0 0 0
- -5.5083 1.2245 0.0000 H 0 0 0
- -5.7760 -0.0232 0.0000 H 0 0 0
- -3.4473 2.9519 0.0000 H 0 0 0
- -4.6970 3.7430 0.0000 H 0 0 0
- -5.4881 2.4933 0.0000 H 0 0 0
- -6.1341 -1.3746 0.0000 H 0 0 0
- -5.9087 -2.8364 0.0000 H 0 0 0
- -4.4469 -2.6110 0.0000 H 0 0 0
- 5.4513 2.5071 0.0000 H 0 0 0
- 5.7243 4.0865 0.0000 H 0 0 0
- 4.2718 5.2942 0.0000 H 0 0 0
- 2.7685 4.7421 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 18 23 1 0
- 7 9 1 0
- 8 13 1 0
- 10 11 1 0
- 16 19 1 0
- 22 23 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 14 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2303-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 3.2304 -0.0901 0.1838 N 0 0 0
- 2.1554 0.4604 -0.4144 C 0 0 0
- 4.5436 0.5476 0.0612 C 0 0 0
- 3.0846 -1.3230 0.9616 C 0 0 0
- 0.5490 -0.2019 -0.1221 S 0 0 0
- 2.2942 1.4143 -1.1559 O 0 0 0
- 4.9945 0.5096 -1.4004 C 0 0 0
- 4.4501 2.0016 0.5283 C 0 0 0
- 3.9052 -2.4375 0.3095 C 0 0 0
- 3.5859 -1.0883 2.3880 C 0 0 0
- -0.8947 0.5374 -0.9254 C 0 0 0
- -2.1367 -0.2092 -0.5121 C 0 0 0
- -3.1068 0.4226 0.1102 C 0 0 0
- -2.2863 -1.9039 -0.8579 Cl 0 0 0
- -2.9573 2.1173 0.4561 Cl 0 0 0
- -4.5377 -0.4374 0.5864 Cl 0 0 0
- 4.7424 -0.5209 0.0000 H 0 0 0
- 2.0339 -1.6008 0.0000 H 0 0 0
- 4.9032 -0.5734 0.0000 H 0 0 0
- 6.0775 0.4183 0.0000 H 0 0 0
- 5.0858 1.5926 0.0000 H 0 0 0
- 5.5347 2.0713 0.0000 H 0 0 0
- 4.3804 3.0862 0.0000 H 0 0 0
- 3.3655 1.9319 0.0000 H 0 0 0
- 3.0300 -3.0819 0.0000 H 0 0 0
- 4.5496 -3.3127 0.0000 H 0 0 0
- 4.7804 -1.7931 0.0000 H 0 0 0
- 4.0467 -2.0726 0.0000 H 0 0 0
- 4.5702 -0.6275 0.0000 H 0 0 0
- 3.1251 -0.1040 0.0000 H 0 0 0
- -0.2295 1.3969 0.0000 H 0 0 0
- -1.6168 1.3497 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- -3.8682 0.1124 -0.5367 O 0 0 0
- -4.7538 -0.8843 -0.3383 C 0 0 0
- -3.0542 0.1317 -1.7389 C 0 0 0
- -5.5777 -0.9039 0.8784 C 0 0 0
- -4.8709 -1.7668 -1.1658 O 0 0 0
- -2.1409 1.3591 -1.7166 C 0 0 0
- -5.4325 0.1902 1.9044 C 0 0 0
- -6.4520 -1.8880 1.0742 C 0 0 0
- -1.2928 1.3009 -0.5680 O 0 0 0
- -0.4686 2.4677 -0.6036 C 0 0 0
- 0.4686 2.4672 0.6057 C 0 0 0
- 1.2928 1.3004 0.5691 O 0 0 0
- 2.1409 1.3576 1.7178 C 0 0 0
- 3.0542 0.1302 1.7390 C 0 0 0
- 3.8682 0.1119 0.5368 O 0 0 0
- 4.7538 -0.8846 0.3376 C 0 0 0
- 5.5777 -0.9032 -0.8791 C 0 0 0
- 4.8709 -1.7678 1.1642 O 0 0 0
- 5.4325 0.1919 -1.9042 C 0 0 0
- 6.4520 -1.8871 -1.0758 C 0 0 0
- -3.2166 -0.6800 0.0000 H 0 0 0
- -2.2979 -0.2048 0.0000 H 0 0 0
- -1.9290 2.1593 0.0000 H 0 0 0
- -2.8865 1.7186 0.0000 H 0 0 0
- -4.6119 0.0813 0.0000 H 0 0 0
- -5.3236 1.0108 0.0000 H 0 0 0
- -6.2531 0.2991 0.0000 H 0 0 0
- -7.2628 -1.7213 0.0000 H 0 0 0
- -6.1910 -2.6735 0.0000 H 0 0 0
- -0.2998 3.2781 0.0000 H 0 0 0
- -1.2277 2.7978 0.0000 H 0 0 0
- 1.2278 2.7970 0.0000 H 0 0 0
- 0.3004 3.2777 0.0000 H 0 0 0
- 2.8867 1.7168 0.0000 H 0 0 0
- 1.9296 2.1579 0.0000 H 0 0 0
- 2.2980 -0.2066 0.0000 H 0 0 0
- 3.2172 -0.6814 0.0000 H 0 0 0
- 6.2531 0.3007 0.0000 H 0 0 0
- 5.3237 1.0125 0.0000 H 0 0 0
- 4.6119 0.0831 0.0000 H 0 0 0
- 6.1911 -2.6727 0.0000 H 0 0 0
- 7.2628 -1.7203 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 17 20 2 0
- 3 21 1 0
- 3 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55566-30-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 26 1 V2000
- -5.6607 0.0087 0.0257 P 0 3 0
- -6.7516 1.4058 -0.4004 C 0 0 0
- -4.2696 0.6110 1.0384 C 0 0 0
- -6.6047 -1.2341 0.9678 C 0 0 0
- -5.0168 -0.7477 -1.5029 C 0 0 0
- -6.0115 2.3799 -1.1389 O 0 0 0
- -4.7743 1.2039 2.2366 O 0 0 0
- -5.7495 -2.3291 1.3018 O 0 0 0
- -6.1073 -1.2197 -2.2966 O 0 0 0
- 8.4392 -0.0448 0.0374 S 0 0 0
- 7.5284 1.1216 -0.3183 O 0 0 0
- 9.4877 0.5091 0.8204 O 0 0 0
- 7.5766 -1.0979 0.4449 O 0 0 0
- 9.0930 -0.5212 -1.2518 O 0 0 0
- -7.4701 2.0563 0.0000 H 0 0 0
- -7.4615 0.7458 0.0000 H 0 0 0
- -3.7986 -0.2361 0.0000 H 0 0 0
- -3.4731 1.1633 0.0000 H 0 0 0
- -7.3233 -0.5837 0.0000 H 0 0 0
- -7.3145 -1.8941 0.0000 H 0 0 0
- -4.5458 -1.5948 0.0000 H 0 0 0
- -4.2203 -0.1954 0.0000 H 0 0 0
- -5.4251 3.1517 0.0000 H 0 0 0
- -5.4026 1.9420 0.0000 H 0 0 0
- -5.1529 -3.0930 0.0000 H 0 0 0
- -6.9968 -1.6047 0.0000 H 0 0 0
- 6.9319 1.8855 0.0000 H 0 0 0
- 9.8763 -1.0920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 10 11 1 0
- 10 12 2 0
- 10 13 2 0
- 10 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13684-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- 1.9411 0.2639 -0.1055 C 0 0 0
- 0.9571 1.1010 -0.6082 C 0 0 0
- 3.0720 0.8055 0.4884 C 0 0 0
- -0.1523 0.5735 -1.1903 O 0 0 0
- 1.1051 2.4776 -0.5165 C 0 0 0
- 3.2149 2.1845 0.5775 C 0 0 0
- 4.0674 -0.0364 0.9975 N 0 0 0
- -1.2291 0.2737 -0.4388 C 0 0 0
- 2.2324 3.0153 0.0754 C 0 0 0
- 4.6242 -0.9759 0.2078 C 0 0 0
- -2.2810 -0.3620 -0.9920 N 0 0 0
- -1.2523 0.5764 0.7378 O 0 0 0
- 5.4940 -1.8628 0.7272 O 0 0 0
- 4.3411 -1.0227 -0.9730 O 0 0 0
- -3.5463 -0.2651 -0.4021 C 0 0 0
- 6.0939 -2.8750 -0.1236 C 0 0 0
- -4.3822 -1.3730 -0.3625 C 0 0 0
- -3.9664 0.9381 0.1501 C 0 0 0
- -5.6304 -1.2742 0.2209 C 0 0 0
- -5.2154 1.0304 0.7318 C 0 0 0
- -6.0477 -0.0737 0.7650 C 0 0 0
- -6.5384 -2.4762 0.2639 C 0 0 0
- 1.8200 -0.6687 0.0000 H 0 0 0
- 0.3378 3.0213 0.0000 H 0 0 0
- 4.0873 2.5358 0.0000 H 0 0 0
- 4.7855 0.5708 0.0000 H 0 0 0
- 2.3529 3.9480 0.0000 H 0 0 0
- -2.0633 -1.2769 0.0000 H 0 0 0
- 5.2849 -3.3545 0.0000 H 0 0 0
- 6.5734 -3.6840 0.0000 H 0 0 0
- 6.9029 -2.3955 0.0000 H 0 0 0
- -3.9964 -2.2306 0.0000 H 0 0 0
- -3.3940 1.6843 0.0000 H 0 0 0
- -5.6036 1.8870 0.0000 H 0 0 0
- -6.9767 0.0721 0.0000 H 0 0 0
- -7.2888 -1.9094 0.0000 H 0 0 0
- -7.1052 -3.2266 0.0000 H 0 0 0
- -5.7880 -3.0430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 8 12 2 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 15 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 19 22 1 0
- 6 9 2 0
- 20 21 1 0
- 1 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 9 27 1 0
- 11 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129286-36-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.9187 -0.0180 -0.0042 C 0 0 0
- -0.2443 -0.9194 -0.0037 C 0 0 0
- 0.4439 1.3076 -0.0020 C 0 0 0
- 2.3137 -0.2496 -0.0013 C 0 0 0
- -1.3769 -0.0960 -0.0013 C 0 0 0
- -0.4673 -2.2886 -0.0045 C 0 0 0
- -1.0310 1.2587 -0.0001 C 0 0 0
- 1.3525 2.3764 -0.0019 C 0 0 0
- 3.2043 0.8511 -0.0028 C 0 0 0
- 2.8309 -1.5536 0.0037 C 0 0 0
- -2.6903 -0.5723 -0.0003 C 0 0 0
- -1.7711 -2.7775 -0.0029 C 0 0 0
- -2.0728 2.1734 0.0027 C 0 0 0
- 2.6925 2.1629 -0.0040 C 0 0 0
- 4.5892 0.6154 0.0003 C 0 0 0
- 4.1796 -1.7457 0.0069 C 0 0 0
- -3.7246 0.3837 0.0023 C 0 0 0
- -2.8728 -1.9641 -0.0014 C 0 0 0
- -3.3905 1.7240 0.0042 C 0 0 0
- 5.0565 -0.6637 0.0051 C 0 0 0
- -5.0191 -0.0029 0.0032 F 0 0 0
- 0.3436 -2.9535 0.0000 H 0 0 0
- 0.9889 3.3600 0.0000 H 0 0 0
- 2.1819 -2.3773 0.0000 H 0 0 0
- -1.9160 -3.8161 0.0000 H 0 0 0
- -1.8687 3.2020 0.0000 H 0 0 0
- 3.3506 2.9793 0.0000 H 0 0 0
- 5.2604 1.4211 0.0000 H 0 0 0
- 4.5628 -2.7218 0.0000 H 0 0 0
- -3.8377 -2.3746 0.0000 H 0 0 0
- -4.1626 2.4336 0.0000 H 0 0 0
- 6.0908 -0.8364 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 11 18 2 0
- 13 19 1 0
- 15 20 2 0
- 17 21 1 0
- 5 7 1 0
- 9 14 1 0
- 12 18 1 0
- 16 20 1 0
- 17 19 2 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28920-43-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.4149 -0.4202 -0.8014 C 0 0 0
- -1.7324 -1.0627 -0.4426 C 0 0 0
- -0.5470 1.0367 -0.4310 C 0 0 0
- 0.7046 -1.0569 0.0245 C 0 0 0
- -2.5526 -0.0699 0.0869 C 0 0 0
- -2.1911 -2.3580 -0.5533 C 0 0 0
- -1.8229 1.2221 0.0939 C 0 0 0
- 0.3261 2.0996 -0.5288 C 0 0 0
- 1.9723 -0.4387 -0.3207 O 0 0 0
- -3.8432 -0.3993 0.5043 C 0 0 0
- -3.4718 -2.6773 -0.1374 C 0 0 0
- -2.2095 2.4943 0.5196 C 0 0 0
- -0.0636 3.3574 -0.1043 C 0 0 0
- 3.1023 -0.8412 0.2834 C 0 0 0
- -4.2940 -1.6981 0.3899 C 0 0 0
- -1.3300 3.5518 0.4175 C 0 0 0
- 3.0639 -1.7209 1.1170 O 0 0 0
- 4.6179 -0.1021 -0.1294 Cl 0 0 0
- 0.4243 0.1201 0.0000 H 0 0 0
- 0.0486 -1.8092 0.0000 H 0 0 0
- 1.3116 -1.8492 0.0000 H 0 0 0
- -1.5200 -3.0968 0.0000 H 0 0 0
- 1.3056 1.9076 0.0000 H 0 0 0
- -4.5186 0.3355 0.0000 H 0 0 0
- -3.7801 -3.6266 0.0000 H 0 0 0
- -3.1878 2.6920 0.0000 H 0 0 0
- 0.5880 4.1135 0.0000 H 0 0 0
- -5.2756 -1.8789 0.0000 H 0 0 0
- -1.6838 4.4851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 14 17 2 0
- 14 18 1 0
- 5 7 1 0
- 11 15 2 0
- 13 16 1 0
- 1 19 1 0
- 4 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-842-19-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -3.1844 0.9175 0.2068 C 0 0 0
- -4.0130 -0.1640 0.5980 C 0 0 0
- -1.8948 0.6542 -0.2868 C 0 0 0
- -3.6647 2.2321 0.3249 C 0 0 0
- -3.5288 -1.4783 0.4846 C 0 0 0
- -5.3029 0.0974 1.0923 C 0 0 0
- -1.4599 -0.6317 -0.3824 C 0 0 0
- -0.8471 1.9824 -0.7797 S 0 0 0
- -4.9210 2.4505 0.8140 C 0 0 0
- -2.2747 -1.6951 0.0023 C 0 0 0
- -5.7405 1.3812 1.1896 C 0 0 0
- -1.2326 2.3054 -2.1087 O 0 0 0
- -0.8308 2.8881 0.3152 O 0 0 0
- 0.5681 1.4317 -0.8819 O 0 0 0
- -5.3845 3.7227 0.9278 O 0 0 0
- -1.6719 -3.3449 -0.1375 S 0 0 0
- -2.0413 -3.7820 -1.4381 O 0 0 0
- -0.3469 -3.3165 0.3753 O 0 0 0
- -2.4715 -4.2050 0.8306 O 0 0 0
- 10.9288 0.2209 -0.1175 Na 0 3 0
- 19.5525 0.3780 0.6620 Na 0 3 0
- -3.0184 3.0051 0.0000 H 0 0 0
- -4.1737 -2.2525 0.0000 H 0 0 0
- -5.9681 -0.6594 0.0000 H 0 0 0
- -0.4658 -0.7960 0.0000 H 0 0 0
- -6.7348 1.5444 0.0000 H 0 0 0
- -5.7294 4.6694 0.0000 H 0 0 0
- 1.5071 1.0663 0.0000 H 0 0 0
- -3.1575 -4.9429 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 16 17 2 0
- 16 18 2 0
- 16 19 1 0
- 7 10 1 0
- 9 11 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 15 27 1 0
- 14 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114656-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.6112 -0.3733 -0.0011 C 0 0 0
- -0.7668 -0.1151 -0.0009 C 0 0 0
- 1.4858 0.7360 -0.0007 C 0 0 0
- 1.3616 -1.5186 0.0037 N 0 0 0
- -1.2126 1.2154 -0.0002 C 0 0 0
- -1.7476 -1.2147 -0.0008 C 0 0 0
- 2.8504 0.1847 -0.0011 C 0 0 0
- 0.9572 2.0216 0.0000 C 0 0 0
- 2.7124 -1.2125 0.0007 C 0 0 0
- -0.3454 2.2191 -0.0002 N 0 0 0
- -2.6717 1.4873 0.0001 C 0 0 0
- -3.1980 -0.9045 -0.0001 C 0 0 0
- -1.3703 -2.3693 -0.0018 O 0 0 0
- 4.1196 0.7604 -0.0011 C 0 0 0
- 1.8879 3.2069 0.0010 C 0 0 0
- 3.8528 -2.0086 0.0033 C 0 0 0
- -3.6249 0.3755 -0.0004 C 0 0 0
- -3.0760 2.6339 0.0011 O 0 0 0
- -4.1001 -1.9129 -0.0001 O 0 0 0
- 5.2372 -0.0459 -0.0017 C 0 0 0
- 5.1024 -1.4259 -0.0009 C 0 0 0
- -5.3951 -1.3086 0.0007 C 0 0 0
- 0.9709 -2.4857 0.0000 H 0 0 0
- 4.2233 1.7983 0.0000 H 0 0 0
- 2.7083 2.5627 0.0000 H 0 0 0
- 2.5321 4.0273 0.0000 H 0 0 0
- 1.0675 3.8511 0.0000 H 0 0 0
- 3.7626 -3.0478 0.0000 H 0 0 0
- -4.6485 0.5760 0.0000 H 0 0 0
- 6.1878 0.3834 0.0000 H 0 0 0
- 5.9538 -2.0285 0.0000 H 0 0 0
- -4.9540 -0.3634 0.0000 H 0 0 0
- -6.3403 -0.8675 0.0000 H 0 0 0
- -5.8362 -2.2538 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 2 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 19 22 1 0
- 7 9 2 0
- 8 10 2 0
- 12 17 2 0
- 20 21 1 0
- 4 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 20 30 1 0
- 21 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2835-98-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.6185 -1.6960 0.0010 O 0 0 0
- 0.6651 -0.7260 0.0020 C 0 0 0
- 1.0354 0.6171 0.0000 C 0 0 0
- -0.6763 -1.0710 -0.0006 C 0 0 0
- 2.3893 0.9717 -0.0031 N 0 0 0
- 0.0585 1.6021 0.0006 C 0 0 0
- -1.6446 -0.0837 0.0000 C 0 0 0
- -1.2780 1.2494 0.0033 C 0 0 0
- -3.1034 -0.4619 -0.0029 C 0 0 0
- 2.3467 -2.4368 0.0000 H 0 0 0
- -0.9551 -2.0717 0.0000 H 0 0 0
- 3.1197 0.2330 0.0000 H 0 0 0
- 2.6638 1.9736 0.0000 H 0 0 0
- 0.3313 2.6044 0.0000 H 0 0 0
- -2.0087 1.9877 0.0000 H 0 0 0
- -3.3641 0.5436 0.0000 H 0 0 0
- -4.1089 -0.7226 0.0000 H 0 0 0
- -2.8427 -1.4674 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 6 2 0
- 9 7 1 0
- 7 8 1 0
- 1 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42509-80-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- 1.8239 -0.0838 -0.3092 P 0 0 0
- 0.7453 -1.0373 -1.0300 O 0 0 0
- 1.6541 -0.1930 1.2881 O 0 0 0
- 3.3097 -0.5451 -0.7237 O 0 0 0
- 1.5492 1.6801 -0.8439 S 0 0 0
- -0.4828 -0.6023 -0.6448 C 0 0 0
- 1.7079 -1.5831 1.6151 C 0 0 0
- 4.2078 0.4349 -0.1992 C 0 0 0
- -1.6269 -1.1206 -1.0184 N 0 0 0
- -0.7213 0.4200 0.1812 N 0 0 0
- 1.5517 -1.7577 3.1270 C 0 0 0
- 5.6452 0.0543 -0.5598 C 0 0 0
- -2.6360 -0.3723 -0.3907 N 0 0 0
- -2.0133 0.5688 0.3401 C 0 0 0
- -4.0817 -0.5784 -0.5070 C 0 0 0
- -2.7866 1.7697 1.3268 Cl 0 0 0
- -4.5021 -0.4296 -1.9705 C 0 0 0
- -4.4380 -1.9824 -0.0143 C 0 0 0
- 2.2435 -2.4122 0.0000 H 0 0 0
- 2.6491 -1.2856 0.0000 H 0 0 0
- 4.6101 1.3362 0.0000 H 0 0 0
- 3.3826 0.9765 0.0000 H 0 0 0
- 0.8161 -1.0996 0.0000 H 0 0 0
- 0.8936 -2.4933 0.0000 H 0 0 0
- 2.2873 -2.4158 0.0000 H 0 0 0
- 5.3926 -0.8999 0.0000 H 0 0 0
- 6.5994 -0.1983 0.0000 H 0 0 0
- 5.8978 1.0085 0.0000 H 0 0 0
- -3.9839 0.4038 0.0000 H 0 0 0
- -4.1728 0.5009 0.0000 H 0 0 0
- -5.4326 -0.1003 0.0000 H 0 0 0
- -4.8314 -1.3601 0.0000 H 0 0 0
- -5.3947 -1.7396 0.0000 H 0 0 0
- -4.6808 -2.9391 0.0000 H 0 0 0
- -3.4813 -2.2252 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 13 14 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141511-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- 0.7666 -0.3557 -0.0299 C 0 0 0
- -0.7033 -0.1723 -0.0231 C 0 0 0
- 1.5960 0.7498 0.0987 C 0 0 0
- 1.2950 -1.6333 -0.1815 C 0 0 0
- -1.2339 1.0985 -0.2134 C 0 0 0
- -1.5269 -1.2735 0.1890 C 0 0 0
- 2.9722 0.5799 0.0751 C 0 0 0
- 0.9967 2.1159 0.2920 C 0 0 0
- 2.6633 -1.7905 -0.1833 C 0 0 0
- 0.3714 -2.8061 -0.3626 C 0 0 0
- -2.6045 1.2639 -0.1895 C 0 0 0
- -0.3156 2.2611 -0.4708 C 0 0 0
- -2.8956 -1.0962 0.1921 C 0 0 0
- -0.9169 -2.6259 0.4339 C 0 0 0
- 3.5018 -0.6869 -0.0563 C 0 0 0
- 3.8311 1.8118 0.1894 C 0 0 0
- -3.4275 0.1686 0.0071 C 0 0 0
- 4.9874 -0.9416 -0.0700 C 0 0 0
- 5.2584 1.4376 0.5833 C 0 0 0
- -4.8963 0.3520 0.0203 N 0 3 0
- 5.7519 0.3450 -0.3724 C 0 0 0
- -5.6281 -0.6062 0.1926 O 0 0 0
- -5.3730 1.4611 -0.1412 O 0 5 0
- 2.0038 2.3612 0.0000 H 0 0 0
- 0.9301 3.1503 0.0000 H 0 0 0
- 3.0701 -2.7439 0.0000 H 0 0 0
- 0.0503 -3.7916 0.0000 H 0 0 0
- 1.2855 -3.2949 0.0000 H 0 0 0
- -3.0112 2.2173 0.0000 H 0 0 0
- -0.0129 3.2525 0.0000 H 0 0 0
- -1.2338 2.7420 0.0000 H 0 0 0
- -3.5235 -1.9209 0.0000 H 0 0 0
- -1.9247 -2.8684 0.0000 H 0 0 0
- -0.8666 -3.6612 0.0000 H 0 0 0
- 4.2097 2.7767 0.0000 H 0 0 0
- 2.9172 2.3009 0.0000 H 0 0 0
- 4.6891 -1.9343 0.0000 H 0 0 0
- 5.9364 -1.3586 0.0000 H 0 0 0
- 6.2748 1.6408 0.0000 H 0 0 0
- 5.2890 2.4737 0.0000 H 0 0 0
- 6.5176 -0.3536 0.0000 H 0 0 0
- 6.5908 0.9538 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 20 22 2 0
- 20 23 1 0
- 8 12 1 0
- 9 15 2 0
- 10 14 1 0
- 13 17 1 0
- 19 21 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 16 35 1 0
- 16 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 21 41 1 0
- 21 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105149-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 58 1 V2000
- 3.2359 0.0619 -0.1624 C 0 0 1
- 1.8081 -0.4256 -0.3836 C 0 0 2
- 3.1938 1.5868 -0.4330 C 0 0 0
- 3.6492 -0.1952 1.2056 O 0 0 0
- 4.1743 -0.6143 -1.1284 C 0 0 0
- 0.9470 0.8122 -0.0110 C 0 0 1
- 1.3449 -1.5779 0.4847 C 0 0 0
- 1.6021 -0.7757 -1.8587 C 0 0 0
- 1.7080 1.9403 -0.7162 C 0 0 0
- 4.8756 0.1652 1.6152 C 0 0 0
- 4.8680 -1.8930 -0.7350 C 0 0 0
- 4.3703 -0.1315 -2.2178 O 0 0 0
- -0.4528 0.5392 -0.5256 C 0 0 1
- -0.1115 -1.8889 0.0977 C 0 0 0
- 5.3534 -0.2189 2.9919 C 0 0 0
- 5.5964 0.7977 0.8802 O 0 0 0
- -0.9998 -0.6615 0.2635 C 0 0 2
- -1.3424 1.7328 -0.3277 C 0 0 0
- -2.4169 -0.9590 -0.2276 C 0 0 2
- -2.6475 1.5989 -0.0888 C 0 0 0
- -3.2590 0.2780 0.0007 C 0 0 0
- -3.0337 -2.0965 0.5918 C 0 0 0
- -2.3943 -1.3134 -1.7158 C 0 0 0
- -3.6307 3.0146 0.1188 Cl 0 0 0
- -4.5637 0.1150 0.3141 C 0 0 0
- -4.3832 -2.2955 0.1749 O 0 0 0
- -5.0972 -1.1909 0.4329 C 0 0 0
- -6.2548 -1.3161 0.7851 O 0 0 0
- 4.2126 1.5262 0.0000 H 0 0 0
- 3.3428 2.5965 0.0000 H 0 0 0
- 0.3835 1.6631 0.0000 H 0 0 0
- 1.3580 -2.5984 0.0000 H 0 0 0
- 2.3481 -1.7653 0.0000 H 0 0 0
- 0.7225 -0.2581 0.0000 H 0 0 0
- 1.0845 -1.6553 0.0000 H 0 0 0
- 2.4817 -1.2933 0.0000 H 0 0 0
- 2.0613 2.8978 0.0000 H 0 0 0
- 0.7997 2.4057 0.0000 H 0 0 0
- 3.9709 -2.3797 0.0000 H 0 0 0
- 5.3547 -2.7901 0.0000 H 0 0 0
- 5.7651 -1.4063 0.0000 H 0 0 0
- 0.1793 -0.2620 0.0000 H 0 0 0
- -1.0131 -2.3672 0.0000 H 0 0 0
- 0.2376 -2.8479 0.0000 H 0 0 0
- 4.7140 -1.0143 0.0000 H 0 0 0
- 6.1488 -0.8583 0.0000 H 0 0 0
- 5.9928 0.5765 0.0000 H 0 0 0
- -1.6377 0.1352 0.0000 H 0 0 0
- -0.9318 2.6672 0.0000 H 0 0 0
- -3.1031 -3.1147 0.0000 H 0 0 0
- -2.0536 -2.3809 0.0000 H 0 0 0
- -3.4128 -1.3784 0.0000 H 0 0 0
- -2.3293 -2.3319 0.0000 H 0 0 0
- -1.3758 -1.2484 0.0000 H 0 0 0
- -5.1843 0.9252 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 10 16 2 0
- 13 17 1 0
- 13 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 1 0
- 19 22 1 0
- 19 23 1 0
- 20 24 1 0
- 21 25 2 0
- 22 26 1 0
- 25 27 1 0
- 27 28 2 0
- 6 9 1 0
- 14 17 1 0
- 20 21 1 0
- 26 27 1 0
- 3 29 1 0
- 3 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 11 39 1 0
- 11 40 1 0
- 11 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 15 47 1 0
- 17 48 1 0
- 18 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
- 23 54 1 0
- 25 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52-24-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.0449 0.0574 0.0127 P 0 0 0
- 0.9059 -1.3437 -0.3454 N 0 0 0
- 1.0835 1.3809 -0.0319 N 0 0 0
- -1.1809 0.2677 -1.1212 N 0 0 0
- -0.7012 -0.0898 1.7140 S 0 0 0
- 0.0898 -2.4719 0.1227 C 0 0 0
- 0.1253 -2.0728 -1.3539 C 0 0 0
- 2.3067 0.9817 0.6768 C 0 0 0
- 2.2365 0.9853 -0.8516 C 0 0 0
- -2.3926 0.6254 -0.3716 C 0 0 0
- -1.5526 1.6884 -1.0825 C 0 0 0
- -0.8269 -2.7116 0.0000 H 0 0 0
- 0.6249 -3.2539 0.0000 H 0 0 0
- -0.3049 -1.2286 0.0000 H 0 0 0
- -0.8050 -2.2530 0.0000 H 0 0 0
- 2.6619 0.1033 0.0000 H 0 0 0
- 2.9533 1.6744 0.0000 H 0 0 0
- 1.5830 0.2992 0.0000 H 0 0 0
- 2.5873 0.1051 0.0000 H 0 0 0
- -3.2046 1.1138 0.0000 H 0 0 0
- -2.7740 -0.2420 0.0000 H 0 0 0
- -0.7083 2.1186 0.0000 H 0 0 0
- -2.1533 2.4212 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 7 1 0
- 8 9 1 0
- 10 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-218-02-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.4527 0.5646 0.0022 C 0 0 0
- -0.3714 -0.5777 0.0010 C 0 0 0
- 1.9047 0.3782 0.0015 C 0 0 0
- -0.1171 1.8499 -0.0017 C 0 0 0
- -1.8202 -0.3876 0.0011 C 0 0 0
- 0.2001 -1.8622 -0.0008 C 0 0 0
- 2.4232 -0.9375 -0.0001 C 0 0 0
- 2.7804 1.4678 0.0019 C 0 0 0
- -1.4585 2.0305 -0.0071 C 0 0 0
- -2.3395 0.9300 0.0027 C 0 0 0
- -2.7180 -1.4607 -0.0007 C 0 0 0
- 1.5411 -2.0392 -0.0017 C 0 0 0
- 3.8142 -1.1242 -0.0010 C 0 0 0
- 4.1278 1.2517 0.0007 C 0 0 0
- -3.7318 1.0979 0.0023 C 0 0 0
- -4.0574 -1.1945 -0.0009 C 0 0 0
- 4.6417 -0.0410 -0.0001 C 0 0 0
- -4.5195 0.0464 0.0006 N 0 0 0
- 0.5141 2.6912 0.0000 H 0 0 0
- -0.4295 -2.7048 0.0000 H 0 0 0
- 2.4026 2.4494 0.0000 H 0 0 0
- -1.8496 3.0069 0.0000 H 0 0 0
- -2.3683 -2.4526 0.0000 H 0 0 0
- 1.9334 -3.0151 0.0000 H 0 0 0
- 4.2165 -2.0960 0.0000 H 0 0 0
- 4.7857 2.0724 0.0000 H 0 0 0
- -4.1452 2.0650 0.0000 H 0 0 0
- -4.7392 -1.9954 0.0000 H 0 0 0
- 5.6836 -0.1846 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112022-13-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -1.0873 0.6628 0.2234 C 0 0 0
- -2.1215 1.5780 0.0516 C 0 0 0
- 0.2479 1.0606 0.1100 C 0 0 0
- -1.4043 -0.6734 0.4861 N 0 0 0
- -3.4216 1.2477 0.1810 O 0 0 0
- -1.8002 2.8956 -0.2585 C 0 0 0
- 0.5460 2.3942 -0.1957 C 0 0 0
- 1.3336 0.0838 0.3103 C 0 0 0
- -2.7216 -1.0540 0.1696 C 0 0 0
- -3.6856 -0.0628 0.0151 C 0 0 0
- -0.4802 3.2934 -0.3796 C 0 0 0
- 2.6116 0.4381 0.0701 N 0 0 0
- 1.0762 -1.0417 0.6922 O 0 0 0
- -3.0423 -2.3902 0.0123 C 0 0 0
- -4.9819 -0.4428 -0.3230 C 0 0 0
- 3.6906 -0.5327 0.2691 C 0 0 0
- -4.3366 -2.7535 -0.3171 C 0 0 0
- -5.2994 -1.7765 -0.4867 C 0 0 0
- 5.0323 0.1192 -0.0717 C 0 0 0
- 6.1142 -0.8542 0.1279 N 0 0 0
- 5.9227 -1.9099 -0.8756 C 0 0 0
- 7.3674 -0.1686 -0.2147 C 0 0 0
- -0.6596 -1.3829 0.0000 H 0 0 0
- -2.5467 3.6032 0.0000 H 0 0 0
- 1.5237 2.7135 0.0000 H 0 0 0
- -0.2624 4.2986 0.0000 H 0 0 0
- 2.8472 1.4393 0.0000 H 0 0 0
- -2.3013 -3.1035 0.0000 H 0 0 0
- -5.7277 0.2656 0.0000 H 0 0 0
- 2.9102 -1.2028 0.0000 H 0 0 0
- 4.2551 -1.3926 0.0000 H 0 0 0
- -4.6006 -3.7476 0.0000 H 0 0 0
- -6.2901 -2.0530 0.0000 H 0 0 0
- 5.8127 0.7893 0.0000 H 0 0 0
- 4.4678 0.9791 0.0000 H 0 0 0
- 4.9106 -1.7263 0.0000 H 0 0 0
- 5.7391 -2.9220 0.0000 H 0 0 0
- 6.9348 -2.0935 0.0000 H 0 0 0
- 7.8611 -1.0710 0.0000 H 0 0 0
- 8.2698 0.3251 0.0000 H 0 0 0
- 6.8737 0.7338 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 2 0
- 17 18 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 22 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111990-49-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.5220 0.1375 0.5526 C 0 0 0
- -0.9095 0.2695 1.0047 C 0 0 0
- 1.2583 1.2675 0.2507 C 0 0 0
- 1.1005 -1.1136 0.4453 C 0 0 0
- -1.8344 0.2348 -0.2137 C 0 0 0
- 2.5716 1.1464 -0.1641 C 0 0 0
- 2.4134 -1.2347 0.0307 C 0 0 0
- -3.2877 0.3688 0.2453 C 0 0 0
- 3.1482 -0.1046 -0.2769 C 0 0 0
- -4.2125 0.3340 -0.9731 C 0 0 0
- -4.0155 -0.8025 -0.1295 O 0 0 0
- 4.5797 -0.2366 -0.7290 C 0 0 0
- -0.3616 1.1198 0.0000 H 0 0 0
- -1.4103 1.1484 0.0000 H 0 0 0
- 0.8177 2.1780 0.0000 H 0 0 0
- 0.5170 -1.9399 0.0000 H 0 0 0
- -2.3823 -0.6155 0.0000 H 0 0 0
- -1.3336 -0.6441 0.0000 H 0 0 0
- 3.1556 1.9723 0.0000 H 0 0 0
- 2.8544 -2.1450 0.0000 H 0 0 0
- -3.2602 1.3800 0.0000 H 0 0 0
- -4.2956 1.3421 0.0000 H 0 0 0
- -5.2159 0.2059 0.0000 H 0 0 0
- 4.4868 -1.2439 0.0000 H 0 0 0
- 5.5870 -0.3295 0.0000 H 0 0 0
- 4.6726 0.7707 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 1 0
- 9 12 1 0
- 7 9 1 0
- 10 11 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63019-39-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.1113 0.4020 0.0020 C 0 0 0
- -0.8255 -0.6485 0.0007 C 0 0 0
- 1.5370 0.0676 0.0012 C 0 0 0
- -0.3233 1.7390 -0.0018 C 0 0 0
- -2.2507 -0.3133 0.0009 C 0 0 0
- -0.3895 -1.9850 -0.0004 C 0 0 0
- 1.9178 -1.2946 -0.0005 C 0 0 0
- 2.5179 1.0623 0.0018 C 0 0 0
- -1.6388 2.0538 -0.0071 C 0 0 0
- -2.6300 1.0492 0.0026 C 0 0 0
- -3.2349 -1.3058 -0.0010 C 0 0 0
- 0.9264 -2.2990 -0.0004 C 0 0 0
- 3.2817 -1.6272 -0.0014 C 0 0 0
- 3.8501 0.7035 0.0005 C 0 0 0
- -3.9941 1.3795 0.0027 C 0 0 0
- -4.5526 -0.9508 -0.0013 C 0 0 0
- 4.2217 -0.6422 -0.0004 C 0 0 0
- 4.8078 1.6674 0.0006 O 0 0 0
- -4.9296 0.3882 0.0012 C 0 0 0
- 0.3894 2.5107 0.0000 H 0 0 0
- -1.1016 -2.7573 0.0000 H 0 0 0
- 2.2431 2.0762 0.0000 H 0 0 0
- -1.9277 3.0638 0.0000 H 0 0 0
- -2.9616 -2.3201 0.0000 H 0 0 0
- 1.2155 -3.3089 0.0000 H 0 0 0
- 3.5768 -2.6354 0.0000 H 0 0 0
- -4.2929 2.3866 0.0000 H 0 0 0
- -5.2912 -1.6978 0.0000 H 0 0 0
- 5.2405 -0.8983 0.0000 H 0 0 0
- 5.5482 2.4126 0.0000 H 0 0 0
- -5.9497 0.6389 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4261-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 1.0198 -0.0965 0.5538 C 0 0 0
- 0.0314 0.8142 0.8297 N 0 0 0
- 2.0085 0.6075 -0.1538 C 0 0 0
- 1.1992 -1.3903 0.7999 N 0 0 0
- -1.2133 0.5493 1.5553 C 0 0 0
- 0.4204 2.0108 0.3054 C 0 0 0
- 1.5806 1.8874 -0.2712 N 0 0 0
- 3.1540 -0.0937 -0.5682 C 0 0 0
- 2.2892 -2.0057 0.3931 C 0 0 0
- -2.2837 0.1306 0.5806 C 0 0 0
- 3.2472 -1.3856 -0.2718 N 0 0 0
- 4.1611 0.5465 -1.2690 N 0 0 0
- -2.4514 -1.2062 0.2701 C 0 0 0
- -3.1014 1.0824 0.0013 C 0 0 0
- -3.4330 -1.5902 -0.6239 C 0 0 0
- -4.0834 0.6983 -0.8930 C 0 0 0
- -4.2472 -0.6375 -1.2077 C 0 0 0
- -0.9718 1.4589 0.0000 H 0 0 0
- -1.9154 1.1760 0.0000 H 0 0 0
- -0.0916 2.8004 0.0000 H 0 0 0
- 2.3177 -2.9464 0.0000 H 0 0 0
- 4.9954 0.1111 0.0000 H 0 0 0
- 4.1210 1.4868 0.0000 H 0 0 0
- -1.7087 -1.7842 0.0000 H 0 0 0
- -2.8740 1.9956 0.0000 H 0 0 0
- -3.6616 -2.5031 0.0000 H 0 0 0
- -4.8269 1.2753 0.0000 H 0 0 0
- -5.1483 -0.9089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 6 7 2 0
- 9 11 1 0
- 16 17 2 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-554-10-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -1.7680 0.0902 -0.1551 C 0 0 0
- -3.1094 0.7303 0.2080 C 0 0 0
- -0.6304 0.9023 0.4673 C 0 0 0
- -1.7276 -1.2476 0.3457 O 0 0 0
- -4.1719 -0.0282 -0.3732 O 0 0 0
- 1.2651 -0.0022 -0.0458 I 0 0 0
- -0.8288 -0.3755 0.0000 H 0 0 0
- -2.5056 1.5873 0.0000 H 0 0 0
- -3.8530 1.4692 0.0000 H 0 0 0
- -0.0266 1.7593 0.0000 H 0 0 0
- -1.3740 1.6412 0.0000 H 0 0 0
- -1.6960 -2.2954 0.0000 H 0 0 0
- -5.0251 -0.6373 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-193-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 41 1 V2000
- 0.3874 0.0000 -0.0006 C 0 0 0
- -0.9969 -0.0001 -0.0014 C 0 0 0
- 1.2024 1.1949 0.0014 C 0 0 0
- 1.2025 -1.1946 0.0044 C 0 0 0
- -1.6216 1.3138 -0.0013 C 0 0 0
- -1.6214 -1.3139 -0.0016 C 0 0 0
- 2.6020 0.7075 -0.0013 C 0 0 0
- 0.5781 2.3509 0.0047 N 0 0 0
- 2.6021 -0.7072 0.0002 C 0 0 0
- 0.5782 -2.3509 0.0104 N 0 0 0
- -0.7647 2.4504 0.0039 C 0 0 0
- -3.0061 1.4824 -0.0075 C 0 0 0
- -0.7643 -2.4505 -0.0002 C 0 0 0
- -3.0059 -1.4826 -0.0035 C 0 0 0
- 3.8152 1.3889 -0.0022 C 0 0 0
- 3.8152 -1.3885 -0.0001 C 0 0 0
- -1.3559 3.7277 0.0074 C 0 0 0
- -3.5390 2.7392 -0.0061 C 0 0 0
- -1.3554 -3.7279 0.0018 C 0 0 0
- -3.5386 -2.7394 -0.0029 C 0 0 0
- 5.0077 0.6919 -0.0056 C 0 0 0
- 5.0077 -0.6916 -0.0050 C 0 0 0
- -2.7109 3.8566 0.0023 C 0 0 0
- -2.7103 -3.8569 0.0006 C 0 0 0
- -3.6338 0.6488 0.0000 H 0 0 0
- -3.6337 -0.6491 0.0000 H 0 0 0
- 3.8242 2.4324 0.0000 H 0 0 0
- 3.8241 -2.4320 0.0000 H 0 0 0
- -0.7529 4.5793 0.0000 H 0 0 0
- -4.5752 2.8624 0.0000 H 0 0 0
- -0.7524 -4.5795 0.0000 H 0 0 0
- -4.5748 -2.8627 0.0000 H 0 0 0
- 5.9128 1.2112 0.0000 H 0 0 0
- 5.9128 -1.2110 0.0000 H 0 0 0
- -3.1355 4.8098 0.0000 H 0 0 0
- -3.1349 -4.8101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 16 22 2 0
- 17 23 2 0
- 19 24 2 0
- 7 9 2 0
- 8 11 1 0
- 10 13 2 0
- 18 23 1 0
- 20 24 1 0
- 21 22 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3198-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.0419 0.3534 -0.0065 C 0 0 0
- -0.9164 -1.0571 0.0226 C 0 0 0
- 0.0522 1.1124 -0.0239 N 0 0 0
- -2.3330 0.9258 -0.0224 C 0 0 0
- 0.3718 -1.6184 0.0357 C 0 0 0
- -2.0681 -1.8597 0.0386 C 0 0 0
- 1.2670 0.5961 -0.0135 C 0 0 0
- -3.4395 0.1046 -0.0109 C 0 0 0
- -2.4868 2.3113 -0.0491 N 0 0 0
- 1.4568 -0.7798 0.0184 C 0 0 0
- -3.3004 -1.2795 0.0279 C 0 0 0
- 2.4238 1.5641 -0.0440 C 0 0 0
- 2.8239 -1.4114 0.0408 C 0 0 0
- 3.7105 0.8775 0.4077 C 0 0 0
- 3.8854 -0.4095 -0.4091 C 0 0 0
- 0.5006 -2.6559 0.0000 H 0 0 0
- -1.9801 -2.9015 0.0000 H 0 0 0
- -4.3958 0.5272 0.0000 H 0 0 0
- -1.6446 2.9308 0.0000 H 0 0 0
- -3.4444 2.7310 0.0000 H 0 0 0
- -4.1541 -1.8831 0.0000 H 0 0 0
- 3.0297 2.4162 0.0000 H 0 0 0
- 1.6560 2.2737 0.0000 H 0 0 0
- 2.2686 -2.2972 0.0000 H 0 0 0
- 3.6322 -2.0746 0.0000 H 0 0 0
- 4.7532 0.8009 0.0000 H 0 0 0
- 4.0012 1.8818 0.0000 H 0 0 0
- 4.4313 -1.3012 0.0000 H 0 0 0
- 4.8703 -0.0586 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 7 10 1 0
- 8 11 2 0
- 14 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6756-41-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.1234 0.0897 -0.3512 N 0 0 0
- -1.0470 0.6311 0.3684 N 0 0 0
- 1.1671 0.4928 -0.2160 C 0 0 0
- -2.3450 0.2256 0.2325 C 0 0 0
- 2.2427 -0.4849 -0.0538 C 0 0 0
- 1.4969 1.8508 -0.2347 C 0 0 0
- -3.3483 0.8098 1.0104 C 0 0 0
- -2.6764 -0.7716 -0.6894 C 0 0 0
- 3.5737 -0.0218 0.0839 C 0 0 0
- 1.9824 -1.8597 -0.0318 C 0 0 0
- 0.5205 2.7799 -0.3889 O 0 0 0
- 2.8234 2.2563 -0.0954 C 0 0 0
- -4.6561 0.3953 0.8676 C 0 0 0
- -3.9882 -1.1756 -0.8210 C 0 0 0
- 3.8333 1.3603 0.0625 C 0 0 0
- 4.6118 -0.9558 0.2401 C 0 0 0
- 3.0136 -2.7387 0.1220 C 0 0 0
- -4.9757 -0.5964 -0.0430 C 0 0 0
- 4.3237 -2.2869 0.2568 C 0 0 0
- -6.4070 -1.0436 -0.1928 C 0 0 0
- -3.2356 1.8288 0.0000 H 0 0 0
- -1.9595 -1.5045 0.0000 H 0 0 0
- 1.0155 -2.2005 0.0000 H 0 0 0
- -0.2222 3.4866 0.0000 H 0 0 0
- 3.0416 3.2580 0.0000 H 0 0 0
- -5.3793 1.1220 0.0000 H 0 0 0
- -4.1067 -2.1939 0.0000 H 0 0 0
- 4.8033 1.6922 0.0000 H 0 0 0
- 5.5873 -0.6406 0.0000 H 0 0 0
- 2.8231 -3.7460 0.0000 H 0 0 0
- 5.0904 -2.9675 0.0000 H 0 0 0
- -6.7127 -0.0651 0.0000 H 0 0 0
- -7.3855 -1.3493 0.0000 H 0 0 0
- -6.1013 -2.0221 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 9 1 0
- 17 10 2 0
- 18 13 2 0
- 19 16 2 0
- 20 18 1 0
- 12 15 1 0
- 14 18 1 0
- 17 19 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114231-14-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 56 1 V2000
- 0.6280 -0.9515 0.1567 N 0 0 0
- -0.4591 -1.7772 0.2452 C 0 0 0
- 1.8951 -1.4594 0.0675 C 0 0 0
- 0.4404 0.4351 0.1517 C 0 0 0
- -1.8149 -1.1969 0.3398 C 0 0 0
- -0.3014 -3.1323 0.2463 C 0 0 0
- 3.0490 -0.5398 -0.0263 C 0 0 0
- 2.1024 -2.8071 0.0648 C 0 0 0
- -0.1170 1.0571 -0.9586 C 0 0 0
- 0.8059 1.1896 1.2583 C 0 0 0
- -2.4689 -1.1419 1.5719 C 0 0 0
- -2.4440 -0.6962 -0.8018 C 0 0 0
- 0.9962 -3.6799 0.1552 C 0 0 0
- -1.5027 -4.0369 0.3444 C 0 0 0
- 3.3574 0.0761 -1.2400 C 0 0 0
- 3.8312 -0.2793 1.1001 C 0 0 0
- -0.3024 2.4316 -0.9623 C 0 0 0
- -0.5808 0.1145 -2.3406 Cl 0 0 0
- 0.6198 2.5634 1.2525 C 0 0 0
- -3.7337 -0.5989 1.6546 C 0 0 0
- -3.7085 -0.1554 -0.7079 C 0 0 0
- 1.1599 -4.8923 0.1540 O 0 0 0
- 4.4356 0.9333 -1.3208 C 0 0 0
- 4.9063 0.5797 1.0058 C 0 0 0
- 0.0686 3.1846 0.1419 C 0 0 0
- -0.8472 3.0408 -2.0483 O 0 0 0
- 0.9773 3.3018 2.3362 O 0 0 0
- -4.3557 -0.1081 0.5174 C 0 0 0
- 5.2101 1.1827 -0.2021 C 0 0 0
- -2.2625 2.8682 -1.9520 C 0 0 0
- -0.1325 3.2787 3.2361 C 0 0 0
- -5.5949 0.4229 0.6039 F 0 0 0
- 3.0432 -3.1775 0.0000 H 0 0 0
- 1.8044 1.0303 0.0000 H 0 0 0
- -2.7139 -2.1229 0.0000 H 0 0 0
- -1.9257 0.1720 0.0000 H 0 0 0
- -2.1109 -3.2292 0.0000 H 0 0 0
- -2.3104 -4.6451 0.0000 H 0 0 0
- -0.8945 -4.8446 0.0000 H 0 0 0
- 2.5722 0.7132 0.0000 H 0 0 0
- 4.3140 -1.1677 0.0000 H 0 0 0
- -4.2508 -1.4678 0.0000 H 0 0 0
- -3.4696 0.8271 0.0000 H 0 0 0
- 3.9583 1.8247 0.0000 H 0 0 0
- 5.6915 -0.0574 0.0000 H 0 0 0
- -0.0665 4.1867 0.0000 H 0 0 0
- 5.9783 1.8401 0.0000 H 0 0 0
- -2.3849 3.8719 0.0000 H 0 0 0
- -3.2662 2.7458 0.0000 H 0 0 0
- -2.1401 1.8645 0.0000 H 0 0 0
- -0.1535 4.2896 0.0000 H 0 0 0
- -1.1434 3.2577 0.0000 H 0 0 0
- -0.1115 2.2678 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 2 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 2 0
- 13 22 2 0
- 15 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 1 0
- 19 27 1 0
- 20 28 2 0
- 23 29 2 0
- 26 30 1 0
- 27 31 1 0
- 28 32 1 0
- 8 13 1 0
- 19 25 2 0
- 21 28 1 0
- 24 29 1 0
- 8 33 1 0
- 10 34 1 0
- 11 35 1 0
- 12 36 1 0
- 14 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 16 41 1 0
- 20 42 1 0
- 21 43 1 0
- 23 44 1 0
- 24 45 1 0
- 25 46 1 0
- 29 47 1 0
- 30 48 1 0
- 30 49 1 0
- 30 50 1 0
- 31 51 1 0
- 31 52 1 0
- 31 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115550-35-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 48 1 V2000
- 0.8335 -0.4481 -0.0893 C 0 0 0
- -0.4921 -0.8785 -0.1104 C 0 0 0
- 1.1076 0.9263 0.0085 C 0 0 0
- 1.8612 -1.3705 -0.1700 N 0 0 0
- -1.5196 0.0514 -0.0372 C 0 0 0
- -0.7700 -2.2064 -0.1995 O 0 0 0
- 2.5129 1.3656 0.0310 C 0 0 0
- 0.0615 1.8501 0.0818 C 0 0 0
- 3.1512 -1.0011 -0.1510 C 0 0 0
- 1.5494 -2.7012 -0.2729 N 0 0 0
- -2.8476 -0.3791 -0.0598 N 0 0 0
- -1.2340 1.4149 0.0583 C 0 0 0
- 0.2897 -2.8997 0.4589 C 0 0 0
- 3.5432 0.3172 -0.0527 C 0 0 0
- 2.8100 2.5448 0.1149 O 0 0 0
- 2.5842 -3.4357 0.4671 C 0 0 0
- -3.4923 0.3009 -1.1899 C 0 0 0
- -3.4783 0.1341 1.1625 C 0 0 0
- -2.2442 2.3092 0.1282 F 0 0 0
- 4.9691 0.6710 -0.0357 C 0 0 0
- -4.9854 -0.0287 -1.2044 C 0 0 0
- -4.9714 -0.1956 1.1481 C 0 0 0
- 5.3419 1.9633 0.0571 O 0 0 0
- 5.8128 -0.2015 -0.1053 O 0 0 0
- -5.6161 0.4844 0.0180 N 0 0 0
- -7.0133 0.0315 -0.0058 C 0 0 0
- 0.2648 2.8548 0.0000 H 0 0 0
- 3.8723 -1.7296 0.0000 H 0 0 0
- -0.4856 -3.5702 0.0000 H 0 0 0
- 0.7214 -3.8294 0.0000 H 0 0 0
- 1.9909 -4.2716 0.0000 H 0 0 0
- 3.4201 -4.0290 0.0000 H 0 0 0
- 3.1775 -2.5998 0.0000 H 0 0 0
- -2.6339 0.8612 0.0000 H 0 0 0
- -3.8894 1.2459 0.0000 H 0 0 0
- -2.6712 0.7660 0.0000 H 0 0 0
- -3.9157 1.0612 0.0000 H 0 0 0
- -5.7925 -0.6607 0.0000 H 0 0 0
- -4.5481 -0.9558 0.0000 H 0 0 0
- -5.8298 -0.7559 0.0000 H 0 0 0
- -4.5743 -1.1406 0.0000 H 0 0 0
- 5.6260 2.9482 0.0000 H 0 0 0
- -7.3294 1.0066 0.0000 H 0 0 0
- -7.9884 -0.2846 0.0000 H 0 0 0
- -6.6972 -0.9436 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 25 26 1 0
- 8 12 2 0
- 9 14 2 0
- 10 13 1 0
- 22 25 1 0
- 8 27 1 0
- 9 28 1 0
- 13 29 1 0
- 13 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 23 42 1 0
- 26 43 1 0
- 26 44 1 0
- 26 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4196-86-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 72 1 V2000
- 1.5064 -0.2867 0.0000 C 0 0 0
- 0.8644 -0.9019 -0.8834 C 0 0 0
- -0.8644 0.9019 -0.8833 C 0 0 0
- -0.9019 -0.8644 0.8833 C 0 0 0
- 0.9019 0.8643 0.8833 C 0 0 0
- 1.6847 -1.7579 -0.0450 O 0 0 0
- -1.6847 1.7578 -0.0450 O 0 0 0
- -1.7579 -1.6847 0.0450 O 0 0 0
- 1.7579 1.6846 0.0450 O 0 0 0
- 2.5312 -2.6412 -0.6087 C 0 0 0
- -2.5312 2.6412 -0.6086 C 0 0 0
- -2.6412 -2.5313 0.6086 C 0 0 0
- 2.6412 2.5312 0.6087 C 0 0 0
- 3.3658 -3.5121 0.2442 C 0 0 0
- 2.6083 -2.7217 -1.8183 O 0 0 0
- -3.3658 3.5120 0.2443 C 0 0 0
- -2.6084 2.7217 -1.8182 O 0 0 0
- -3.5120 -3.3658 -0.2443 C 0 0 0
- -2.7217 -2.6084 1.8182 O 0 0 0
- 3.5120 3.3658 -0.2443 C 0 0 0
- 2.7217 2.6083 1.8182 O 0 0 0
- 4.2442 -4.4286 -0.3367 C 0 0 0
- 3.2838 -3.4181 1.6351 C 0 0 0
- -4.2444 4.4289 -0.3367 C 0 0 0
- -3.2838 3.4181 1.6348 C 0 0 0
- -4.4286 -4.2442 0.3366 C 0 0 0
- -3.4262 -3.2754 -1.6352 C 0 0 0
- 4.4289 4.2444 0.3367 C 0 0 0
- 3.4262 3.2754 -1.6348 C 0 0 0
- 5.0210 -5.2386 0.4658 C 0 0 0
- 4.0662 -4.2339 2.4255 C 0 0 0
- -5.0210 5.2385 0.4656 C 0 0 0
- -4.0665 4.2341 2.4255 C 0 0 0
- -5.2392 -5.0204 -0.4659 C 0 0 0
- -4.2425 -4.0571 -2.4256 C 0 0 0
- 5.2392 5.0203 -0.4655 C 0 0 0
- 4.2428 4.0574 -2.4254 C 0 0 0
- 4.9310 -5.1439 1.8431 C 0 0 0
- -4.9310 5.1438 1.8433 C 0 0 0
- -5.1452 -4.9296 -1.8432 C 0 0 0
- 5.1452 4.9296 -1.8432 C 0 0 0
- 0.2492 -0.2599 0.0000 H 0 0 0
- 0.2224 -1.5171 0.0000 H 0 0 0
- -1.6983 0.5932 0.0000 H 0 0 0
- -0.9134 0.0141 0.0000 H 0 0 0
- -0.8026 0.0192 0.0000 H 0 0 0
- -1.6989 -0.4702 0.0000 H 0 0 0
- 0.3493 1.5609 0.0000 H 0 0 0
- 0.1567 0.3792 0.0000 H 0 0 0
- 3.6023 -5.0440 0.0000 H 0 0 0
- 2.6836 -2.7620 0.0000 H 0 0 0
- -3.6025 5.0443 0.0000 H 0 0 0
- -2.6834 2.7622 0.0000 H 0 0 0
- -3.8135 -4.8863 0.0000 H 0 0 0
- -2.7988 -2.6452 0.0000 H 0 0 0
- 3.8138 4.8865 0.0000 H 0 0 0
- 2.7988 2.6452 0.0000 H 0 0 0
- 5.6350 -5.8818 0.0000 H 0 0 0
- 4.7094 -3.6199 0.0000 H 0 0 0
- -5.6350 5.8816 0.0000 H 0 0 0
- -4.7096 3.6201 0.0000 H 0 0 0
- -5.8801 -5.6368 0.0000 H 0 0 0
- -4.8590 -3.4163 0.0000 H 0 0 0
- 5.8803 5.6365 0.0000 H 0 0 0
- 4.8593 3.4166 0.0000 H 0 0 0
- 4.2864 -5.7564 0.0000 H 0 0 0
- -4.2864 5.7563 0.0000 H 0 0 0
- -4.5273 -5.5691 0.0000 H 0 0 0
- 4.5275 5.5692 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 10 15 2 0
- 11 16 1 0
- 11 17 2 0
- 12 18 1 0
- 12 19 2 0
- 13 20 1 0
- 13 21 2 0
- 14 22 2 0
- 14 23 1 0
- 16 24 1 0
- 16 25 2 0
- 18 26 2 0
- 18 27 1 0
- 20 28 1 0
- 20 29 2 0
- 22 30 1 0
- 23 31 2 0
- 24 32 2 0
- 25 33 1 0
- 26 34 1 0
- 27 35 2 0
- 28 36 2 0
- 29 37 1 0
- 30 38 2 0
- 32 39 1 0
- 34 40 2 0
- 36 41 1 0
- 31 38 1 0
- 33 39 2 0
- 35 40 1 0
- 37 41 2 0
- 2 42 1 0
- 2 43 1 0
- 3 44 1 0
- 3 45 1 0
- 4 46 1 0
- 4 47 1 0
- 5 48 1 0
- 5 49 1 0
- 22 50 1 0
- 23 51 1 0
- 24 52 1 0
- 25 53 1 0
- 26 54 1 0
- 27 55 1 0
- 28 56 1 0
- 29 57 1 0
- 30 58 1 0
- 31 59 1 0
- 32 60 1 0
- 33 61 1 0
- 34 62 1 0
- 35 63 1 0
- 36 64 1 0
- 37 65 1 0
- 38 66 1 0
- 39 67 1 0
- 40 68 1 0
- 41 69 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-553-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -5.1251 1.1841 -0.4883 C 0 0 0
- -5.8929 0.2134 0.2985 C 0 0 0
- -3.8558 0.8410 -0.9588 C 0 0 0
- -5.6820 2.4529 -0.7516 C 0 0 0
- -5.3933 -0.9894 0.5685 N 0 0 0
- -7.1702 0.5837 0.7618 C 0 0 0
- -3.3666 -0.4315 -0.6540 C 0 0 0
- -6.9148 2.7583 -0.2762 C 0 0 0
- -4.1881 -1.3526 0.1377 C 0 0 0
- -7.6618 1.8343 0.4681 C 0 0 0
- -2.0933 -0.8480 -1.0945 C 0 0 0
- -3.6724 -2.6295 0.4320 C 0 0 0
- -8.9257 2.1945 0.9292 N 0 0 0
- -1.6461 -2.0896 -0.7820 C 0 0 0
- -2.4230 -2.9784 -0.0258 C 0 0 0
- -1.9186 -4.2428 0.2687 N 0 0 0
- 9.8069 0.5773 0.0883 S 0 0 0
- 9.0102 -0.4301 0.9048 O 0 0 0
- 11.1315 -0.0780 -0.2759 O 0 0 0
- 9.1008 0.7270 -1.1358 O 0 0 0
- 10.1312 1.6309 0.9849 O 0 0 0
- -3.1986 1.5697 0.0000 H 0 0 0
- -5.0499 3.2034 0.0000 H 0 0 0
- -7.8313 -0.1414 0.0000 H 0 0 0
- -7.2272 3.6885 0.0000 H 0 0 0
- -1.4098 -0.1440 0.0000 H 0 0 0
- -4.3265 -3.3609 0.0000 H 0 0 0
- -9.1646 3.1462 0.0000 H 0 0 0
- -9.6304 1.5117 0.0000 H 0 0 0
- -0.6818 -2.2714 0.0000 H 0 0 0
- -2.5261 -5.0134 0.0000 H 0 0 0
- -0.9475 -4.3836 0.0000 H 0 0 0
- 8.4015 -1.1997 0.0000 H 0 0 0
- 12.0110 -0.5131 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 2 0
- 15 16 1 0
- 17 18 1 0
- 17 19 1 0
- 17 20 2 0
- 17 21 2 0
- 7 9 2 0
- 8 10 1 0
- 14 15 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25003-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.3638 -0.0741 -0.0022 C 0 0 0
- -1.7994 -0.3907 -0.0015 C 0 0 0
- 0.0445 1.3317 -0.0003 C 0 0 0
- 0.5866 -1.0830 0.0011 C 0 0 0
- -2.7376 0.6626 0.0010 C 0 0 0
- -2.2425 -1.7144 -0.0029 C 0 0 0
- 1.3940 1.6689 -0.0005 C 0 0 0
- -0.9820 2.3729 0.0022 C 0 0 0
- 1.9413 -0.7497 0.0008 C 0 0 0
- -2.2894 2.0516 0.0023 C 0 0 0
- -4.1063 0.3587 0.0017 C 0 0 0
- -3.5931 -1.9805 -0.0017 C 0 0 0
- 2.3552 0.6574 -0.0024 C 0 0 0
- 2.9548 -1.7310 0.0046 C 0 0 0
- -4.5162 -0.9427 -0.0001 C 0 0 0
- 3.7354 0.9399 -0.0022 C 0 0 0
- 4.2525 -1.3247 0.0045 C 0 0 0
- 4.6000 -0.0454 -0.0037 N 0 0 0
- 0.2904 -2.0867 0.0000 H 0 0 0
- -1.5515 -2.5004 0.0000 H 0 0 0
- 1.6862 2.6738 0.0000 H 0 0 0
- -0.6971 3.3799 0.0000 H 0 0 0
- -3.0026 2.8175 0.0000 H 0 0 0
- -4.8136 1.1301 0.0000 H 0 0 0
- -3.9269 -2.9724 0.0000 H 0 0 0
- 2.7132 -2.7493 0.0000 H 0 0 0
- -5.5395 -1.1618 0.0000 H 0 0 0
- 4.0689 1.9319 0.0000 H 0 0 0
- 5.0065 -2.0504 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-569-57-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- 0.7182 0.1534 0.1718 C 0 0 0
- -0.1246 -1.0554 0.0413 C 0 0 0
- 2.1906 0.0419 0.0813 C 0 0 0
- 0.1403 1.3656 0.3689 C 0 0 0
- -0.3515 -1.6178 -1.2158 C 0 0 0
- -0.6903 -1.6400 1.1760 C 0 0 0
- 2.8890 -0.7550 0.9898 C 0 0 0
- 2.8845 0.7288 -0.9165 C 0 0 0
- -1.3145 1.5202 0.2167 C 0 0 0
- 1.1181 2.7335 0.8007 Cl 0 0 0
- -1.1371 -2.7447 -1.3331 C 0 0 0
- -1.4746 -2.7665 1.0503 C 0 0 0
- 4.2612 -0.8567 0.9018 C 0 0 0
- 4.2563 0.6220 -0.9978 C 0 0 0
- -2.1184 1.7399 1.3403 C 0 0 0
- -1.8986 1.4538 -1.0531 C 0 0 0
- -1.7023 -3.3201 -0.2030 C 0 0 0
- 4.9482 -0.1678 -0.0887 C 0 0 0
- -3.4806 1.8841 1.1921 C 0 0 0
- -3.2615 1.5992 -1.1900 C 0 0 0
- -2.4760 -4.4306 -0.3227 O 0 0 0
- 6.3006 -0.2706 -0.1721 O 0 0 0
- -4.0559 1.8115 -0.0701 C 0 0 0
- -2.9055 -4.7789 0.9950 C 0 0 0
- 6.7092 0.5408 -1.2751 C 0 0 0
- -5.3997 1.9543 -0.2107 O 0 0 0
- -5.6842 1.8327 -1.6058 C 0 0 0
- 0.3474 -1.9961 0.0000 H 0 0 0
- -1.3039 -1.1350 0.0000 H 0 0 0
- 2.5344 -1.4662 0.0000 H 0 0 0
- 2.6110 1.4750 0.0000 H 0 0 0
- -0.5255 -3.2522 0.0000 H 0 0 0
- -2.1723 -2.3860 0.0000 H 0 0 0
- 4.5385 -1.6015 0.0000 H 0 0 0
- 4.6123 1.3325 0.0000 H 0 0 0
- -1.9713 2.5209 0.0000 H 0 0 0
- -1.8959 0.6591 0.0000 H 0 0 0
- -3.4886 2.6788 0.0000 H 0 0 0
- -3.4067 0.8179 0.0000 H 0 0 0
- -3.4061 -4.1616 0.0000 H 0 0 0
- -3.5228 -5.2795 0.0000 H 0 0 0
- -2.4049 -5.3962 0.0000 H 0 0 0
- 7.4190 0.1834 0.0000 H 0 0 0
- 7.0666 1.2506 0.0000 H 0 0 0
- 5.9994 0.8982 0.0000 H 0 0 0
- -5.9965 2.5635 0.0000 H 0 0 0
- -6.4150 1.5204 0.0000 H 0 0 0
- -5.3719 1.1019 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 9 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 18 22 1 0
- 19 23 2 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 26 27 1 0
- 12 17 1 0
- 14 18 1 0
- 20 23 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 19 38 1 0
- 20 39 1 0
- 24 40 1 0
- 24 41 1 0
- 24 42 1 0
- 25 43 1 0
- 25 44 1 0
- 25 45 1 0
- 27 46 1 0
- 27 47 1 0
- 27 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-612-12-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.5558 0.4508 0.4078 C 0 0 0
- -0.5579 0.4454 -0.4107 C 0 0 0
- 1.1065 1.6507 0.8180 C 0 0 0
- 1.1661 -0.8514 0.8582 C 0 0 0
- -1.1213 1.6401 -0.8192 C 0 0 0
- -1.1579 -0.8625 -0.8582 C 0 0 0
- 0.5433 2.8450 0.4096 C 0 0 0
- 2.4161 -1.3727 -0.3319 Cl 0 0 0
- -0.5710 2.8397 -0.4088 C 0 0 0
- -2.4038 -1.3910 0.3330 Cl 0 0 0
- 2.0970 1.6558 0.0000 H 0 0 0
- 0.1883 -1.0097 0.0000 H 0 0 0
- 1.0502 -1.8351 0.0000 H 0 0 0
- -2.1118 1.6349 0.0000 H 0 0 0
- -1.0353 -1.8454 0.0000 H 0 0 0
- -0.1790 -1.0135 0.0000 H 0 0 0
- 1.0717 3.6828 0.0000 H 0 0 0
- -1.1078 3.6721 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 9 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-522-40-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 51 1 V2000
- 0.5318 0.3027 -0.5878 C 0 0 0
- -0.4570 -0.5678 -0.3267 C 0 0 0
- 1.9323 -0.0731 -0.3261 C 0 0 0
- 0.2094 1.6615 -1.1541 C 0 0 0
- -1.8449 -0.0898 -0.1995 C 0 0 0
- -0.1470 -2.0336 -0.1640 C 0 0 0
- 2.3904 -0.1993 0.9882 C 0 0 0
- 2.8056 -0.3099 -1.3918 C 0 0 0
- 0.1795 2.6914 -0.0230 C 0 0 0
- -2.3300 0.3322 1.0415 C 0 0 0
- -2.6790 -0.0515 -1.3207 C 0 0 0
- -1.4532 -2.8288 -0.1157 C 0 0 0
- 3.7013 -0.5510 1.2279 C 0 0 0
- 4.1143 -0.6610 -1.1421 C 0 0 0
- -3.6289 0.7785 1.1555 C 0 0 0
- -3.9761 0.3963 -1.1967 C 0 0 0
- 4.5665 -0.7797 0.1660 C 0 0 0
- -4.4554 0.8093 0.0399 C 0 0 0
- 5.8580 -1.1257 0.4072 O 0 0 0
- -5.7354 1.2497 0.1574 O 0 0 0
- 6.7434 0.2016 0.1915 P 0 0 0
- -6.6752 -0.0570 0.1976 P 0 0 0
- 6.6350 1.1372 1.4972 O 0 0 0
- 8.2811 -0.2119 -0.0463 O 0 0 0
- 6.2434 0.9417 -0.9886 O 0 0 0
- -6.6432 -0.6957 1.6751 O 0 0 0
- -8.1857 0.3567 -0.1756 O 0 0 0
- -6.1799 -1.0512 -0.7805 O 0 0 0
- -0.7035 2.0764 0.0000 H 0 0 0
- -0.5649 1.0243 0.0000 H 0 0 0
- 0.2747 -2.9434 0.0000 H 0 0 0
- 0.8045 -1.7170 0.0000 H 0 0 0
- 2.1273 -1.1670 0.0000 H 0 0 0
- 2.5445 -1.2781 0.0000 H 0 0 0
- 1.1819 2.7205 0.0000 H 0 0 0
- 0.1504 3.6938 0.0000 H 0 0 0
- -0.8229 2.6623 0.0000 H 0 0 0
- -1.8287 1.2007 0.0000 H 0 0 0
- -2.8676 -1.0364 0.0000 H 0 0 0
- -1.9747 -1.9723 0.0000 H 0 0 0
- -2.3097 -3.3503 0.0000 H 0 0 0
- -0.9317 -3.6853 0.0000 H 0 0 0
- 3.4432 -1.5200 0.0000 H 0 0 0
- 3.8571 -1.6302 0.0000 H 0 0 0
- -3.4453 1.7643 0.0000 H 0 0 0
- -4.4760 -0.4730 0.0000 H 0 0 0
- 6.5196 2.1333 0.0000 H 0 0 0
- 9.2495 -0.4723 0.0000 H 0 0 0
- -6.5930 -1.6972 0.0000 H 0 0 0
- -9.1529 0.6216 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 1 0
- 21 25 2 0
- 22 26 1 0
- 22 27 1 0
- 22 28 2 0
- 14 17 1 0
- 16 18 1 0
- 4 29 1 0
- 4 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 11 39 1 0
- 12 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 14 44 1 0
- 15 45 1 0
- 16 46 1 0
- 23 47 1 0
- 24 48 1 0
- 26 49 1 0
- 27 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86831-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.7533 -0.0282 -0.3684 N 0 0 0
- -0.6104 0.0432 -0.3362 N 0 0 0
- 1.2545 1.3065 -0.0146 C 0 0 0
- 1.1545 -0.9315 0.7183 C 0 0 0
- -1.2135 0.3701 0.7562 N 0 0 0
- -1.3620 -0.2415 -1.5020 O 0 0 0
- 2.7843 1.2979 -0.0315 C 0 0 0
- 1.1067 -2.3783 0.2228 C 0 0 0
- -2.4295 0.4338 0.7849 O 0 0 0
- 1.3738 2.2678 0.0000 H 0 0 0
- 0.3139 1.5380 0.0000 H 0 0 0
- 2.0444 -1.3143 0.0000 H 0 0 0
- 1.8355 -0.2425 0.0000 H 0 0 0
- -2.2679 -0.5846 0.0000 H 0 0 0
- 2.7789 0.3292 0.0000 H 0 0 0
- 3.7530 1.2925 0.0000 H 0 0 0
- 2.7897 2.2666 0.0000 H 0 0 0
- 0.1385 -2.3463 0.0000 H 0 0 0
- 1.0747 -3.3465 0.0000 H 0 0 0
- 2.0749 -2.4103 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83287-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.8320 0.9221 -0.0153 C 0 0 0
- -0.8923 -0.4878 -0.0891 C 0 0 0
- 0.3995 1.6062 0.0373 C 0 0 0
- -2.0336 1.6700 0.0006 C 0 0 0
- -2.1361 -1.1189 -0.1391 C 0 0 0
- 0.3507 -1.2696 -0.1127 C 0 0 0
- 1.6647 0.8469 0.0149 C 0 0 0
- 0.4131 2.9295 0.1063 N 0 0 0
- -3.2719 1.0048 -0.0578 C 0 0 0
- -1.9412 3.0700 0.0747 C 0 0 0
- -3.3161 -0.3576 -0.1163 C 0 0 0
- -2.2055 -2.4695 -0.2104 O 0 0 0
- 1.6422 -0.5586 -0.0586 C 0 0 0
- 0.3159 -2.4851 -0.1755 O 0 0 0
- 2.8877 1.5154 0.0662 C 0 0 0
- -0.6930 3.6501 0.1282 C 0 0 0
- -4.5198 -0.9868 -0.1662 O 0 0 0
- -2.4166 -2.9431 1.1212 C 0 0 0
- 2.8412 -1.2703 -0.0799 C 0 0 0
- 4.0650 0.7996 0.0448 C 0 0 0
- -5.5206 0.0325 -0.1274 C 0 0 0
- 4.0455 -0.5895 -0.0290 C 0 0 0
- 5.2145 -1.2816 -0.0492 O 0 0 0
- 6.2668 -0.3169 0.0143 C 0 0 0
- -4.1606 1.5560 0.0000 H 0 0 0
- -2.8038 3.6612 0.0000 H 0 0 0
- 2.9118 2.5609 0.0000 H 0 0 0
- -0.6186 4.6932 0.0000 H 0 0 0
- -3.3717 -2.5174 0.0000 H 0 0 0
- -2.8423 -3.8982 0.0000 H 0 0 0
- -1.4615 -3.3688 0.0000 H 0 0 0
- 2.8301 -2.3160 0.0000 H 0 0 0
- 4.9801 1.3058 0.0000 H 0 0 0
- -4.7744 0.7651 0.0000 H 0 0 0
- -6.2532 0.7787 0.0000 H 0 0 0
- -6.2668 -0.7001 0.0000 H 0 0 0
- 6.9735 -1.0877 0.0000 H 0 0 0
- 7.0376 0.3898 0.0000 H 0 0 0
- 5.5601 0.4539 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 15 20 2 0
- 17 21 1 0
- 19 22 2 0
- 22 23 1 0
- 23 24 1 0
- 7 13 2 0
- 9 11 2 0
- 10 16 2 0
- 20 22 1 0
- 9 25 1 0
- 10 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 21 35 1 0
- 21 36 1 0
- 24 37 1 0
- 24 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.3875 -0.3668 -0.0013 C 0 0 0
- -2.8632 -0.3668 -0.0011 C 0 0 0
- -0.6886 0.8436 -0.0001 C 0 0 0
- -0.6889 -1.5770 0.0032 C 0 0 0
- -3.4696 -1.4171 -0.0021 O 0 0 0
- -3.7312 1.1366 0.0005 Cl 0 0 0
- 0.6887 0.8436 0.0002 C 0 0 0
- 0.6889 -1.5770 0.0035 C 0 0 0
- 1.3875 -0.3668 -0.0006 C 0 0 0
- 2.8633 -0.3668 -0.0008 C 0 0 0
- 3.4696 -1.4171 -0.0015 O 0 0 0
- 3.7312 1.1366 0.0001 Cl 0 0 0
- -1.2126 1.7513 0.0000 H 0 0 0
- -1.2130 -2.4847 0.0000 H 0 0 0
- 1.2128 1.7513 0.0000 H 0 0 0
- 1.2130 -2.4847 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 8 9 2 0
- 3 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-153-78-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3322 -0.4520 -0.0010 C 0 0 0
- -1.1510 -0.4137 -0.0007 C 0 0 0
- 0.8294 0.8495 0.0000 C 0 0 0
- 1.2223 -1.5283 0.0030 C 0 0 0
- -1.5811 0.9104 0.0006 C 0 0 0
- -2.0966 -1.4413 -0.0014 C 0 0 0
- -0.3530 1.7874 0.0011 C 0 0 0
- 2.1877 1.0753 -0.0001 C 0 0 0
- 2.5812 -1.3000 0.0016 C 0 0 0
- -2.9285 1.2034 0.0008 C 0 0 0
- -3.4421 -1.1387 -0.0008 C 0 0 0
- 3.0709 0.0009 -0.0013 C 0 0 0
- -3.8599 0.1802 -0.0003 C 0 0 0
- 4.4479 0.2287 -0.0014 N 0 0 0
- 0.8579 -2.5062 0.0000 H 0 0 0
- -1.7853 -2.4374 0.0000 H 0 0 0
- 0.3690 2.5410 0.0000 H 0 0 0
- -1.0360 2.5765 0.0000 H 0 0 0
- 2.5544 2.0524 0.0000 H 0 0 0
- 3.2444 -2.1058 0.0000 H 0 0 0
- -3.2460 2.1976 0.0000 H 0 0 0
- -4.1478 -1.9075 0.0000 H 0 0 0
- -4.8793 0.4037 0.0000 H 0 0 0
- 5.1102 -0.5778 0.0000 H 0 0 0
- 4.8152 1.2056 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5401-94-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -1.1815 0.6190 -0.0028 C 0 0 0
- -1.6050 -0.7239 -0.0017 C 0 0 0
- 0.1866 0.9136 -0.0021 C 0 0 0
- -2.3938 1.4313 0.0012 C 0 0 0
- -0.6536 -1.7412 0.0001 C 0 0 0
- -2.9753 -0.7055 -0.0022 N 0 0 0
- 1.0959 -0.1039 -0.0003 C 0 0 0
- -3.4146 0.6224 0.0044 N 0 0 0
- 0.6760 -1.4286 0.0008 C 0 0 0
- 2.5432 0.2063 0.0004 N 0 3 0
- 3.3598 -0.6974 0.0020 O 0 0 0
- 2.9176 1.3654 -0.0006 O 0 5 0
- 0.5092 1.9047 0.0000 H 0 0 0
- -2.4354 2.4727 0.0000 H 0 0 0
- -0.9556 -2.7387 0.0000 H 0 0 0
- -3.5913 -1.5462 0.0000 H 0 0 0
- 1.3844 -2.1931 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111955-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.4870 -0.3210 0.3005 C 0 0 2
- 0.4259 -0.7450 -0.6163 N 0 0 0
- 1.9951 0.9660 -0.1135 O 0 0 0
- 2.6912 -1.2802 0.1733 C 0 0 1
- -0.9053 -0.4306 -0.3364 C 0 0 0
- 0.7215 -1.4088 -1.6821 N 0 0 0
- 3.3168 1.0562 0.4616 C 0 0 1
- 3.9226 -0.3534 0.2817 C 0 0 1
- 2.6874 -2.1974 1.2691 O 0 0 0
- -1.6859 -1.3062 0.4083 C 0 0 0
- -1.4512 0.7616 -0.7973 C 0 0 0
- -0.1477 -1.6811 -2.4907 O 0 0 0
- 4.1470 2.0724 -0.3252 C 0 0 0
- 4.6781 -0.6991 1.4444 O 0 0 0
- -3.0024 -0.9920 0.6832 C 0 0 0
- -2.7680 1.0692 -0.5187 C 0 0 0
- 3.5360 3.3608 -0.2321 O 0 0 0
- -3.5438 0.1924 0.2182 C 0 0 0
- -4.9553 0.5255 0.5144 N 0 3 0
- -5.4336 1.5683 0.1056 O 0 0 0
- -5.6383 -0.2433 1.1670 O 0 5 0
- 0.7899 0.3732 0.0000 H 0 0 0
- 1.8041 -1.7055 0.0000 H 0 0 0
- 2.8652 1.9302 0.0000 H 0 0 0
- 4.6263 0.3341 0.0000 H 0 0 0
- 2.6833 -3.1812 0.0000 H 0 0 0
- -1.3912 -2.2448 0.0000 H 0 0 0
- -0.8284 1.5232 0.0000 H 0 0 0
- 4.8090 1.3447 0.0000 H 0 0 0
- 4.9642 2.6201 0.0000 H 0 0 0
- 5.5727 -1.1084 0.0000 H 0 0 0
- -3.6272 -1.7519 0.0000 H 0 0 0
- -3.0667 2.0066 0.0000 H 0 0 0
- 3.1145 4.2497 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 2 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 7 8 1 0
- 16 18 1 0
- 1 22 1 0
- 4 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78865-83-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 48 1 V2000
- -4.1601 3.7544 0.4821 N 0 0 0
- -5.0904 4.1639 -0.3761 C 0 0 0
- -3.4135 4.8454 0.8586 C 0 0 0
- -3.9684 2.3794 0.9499 C 0 0 0
- -4.9572 5.4753 -0.5545 N 0 3 0
- -3.9061 5.9090 0.2180 C 0 0 0
- -2.8184 1.5185 -0.1578 S 0 0 0
- -5.7875 6.3127 -1.4237 C 0 0 0
- -2.7712 -0.1096 0.6406 C 0 0 0
- -1.8360 -1.0342 -0.1414 C 0 0 0
- -1.7962 -2.4074 0.5320 C 0 0 0
- -0.8610 -3.3319 -0.2500 C 0 0 0
- -0.8212 -4.7052 0.4234 C 0 0 0
- 0.1141 -5.6297 -0.3585 C 0 0 0
- 0.1539 -7.0030 0.3149 C 0 0 0
- 1.0891 -7.9275 -0.4671 C 0 0 0
- 1.1289 -9.3008 0.2063 C 0 0 0
- 2.0641 -10.2253 -0.5757 C 0 0 0
- 14.8594 4.4869 -0.0154 Cl 0 0 0
- -5.9437 3.6669 0.0000 H 0 0 0
- -2.4294 4.7633 0.0000 H 0 0 0
- -4.9485 2.4994 0.0000 H 0 0 0
- -4.3367 1.4632 0.0000 H 0 0 0
- -3.5464 6.8286 0.0000 H 0 0 0
- -5.0863 7.0080 0.0000 H 0 0 0
- -6.4828 7.0139 0.0000 H 0 0 0
- -6.4887 5.6174 0.0000 H 0 0 0
- -3.7302 0.1257 0.0000 H 0 0 0
- -3.2534 -0.9713 0.0000 H 0 0 0
- -0.8770 -1.2695 0.0000 H 0 0 0
- -1.3538 -0.1725 0.0000 H 0 0 0
- -2.7552 -2.1721 0.0000 H 0 0 0
- -2.2783 -3.2692 0.0000 H 0 0 0
- 0.0980 -3.5672 0.0000 H 0 0 0
- -0.3789 -2.4701 0.0000 H 0 0 0
- -1.7802 -4.4700 0.0000 H 0 0 0
- -1.3033 -5.5670 0.0000 H 0 0 0
- 1.0731 -5.8649 0.0000 H 0 0 0
- 0.5962 -4.7679 0.0000 H 0 0 0
- -0.8051 -6.7677 0.0000 H 0 0 0
- -0.3282 -7.8648 0.0000 H 0 0 0
- 2.0481 -8.1628 0.0000 H 0 0 0
- 1.5712 -7.0657 0.0000 H 0 0 0
- 0.1699 -9.0655 0.0000 H 0 0 0
- 0.6468 -10.1626 0.0000 H 0 0 0
- 1.3699 -10.9276 0.0000 H 0 0 0
- 2.7664 -10.9195 0.0000 H 0 0 0
- 2.7583 -9.5230 0.0000 H 0 0 0
- 15.8469 4.4869 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 5 6 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 13 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64920-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 1.3842 -0.0519 -0.1890 C 0 0 0
- 0.0208 -0.3500 -0.1082 C 0 0 0
- 1.7973 1.2733 -0.2243 C 0 0 0
- 2.4107 -1.1517 -0.2444 C 0 0 2
- -0.9155 0.7095 -0.0646 C 0 0 0
- -0.4303 -1.6909 -0.0704 C 0 0 0
- 0.8576 2.3116 -0.1792 C 0 0 0
- 3.2432 1.5710 -0.3095 C 0 0 0
- 3.6749 -0.7187 0.4958 C 0 0 1
- 2.7309 -1.4360 -1.6078 O 0 0 0
- -2.3419 0.3829 0.0180 C 0 0 0
- -0.4748 2.0354 -0.1006 C 0 0 0
- -1.7425 -1.9898 0.0055 C 0 0 0
- 4.1236 0.6389 0.0260 C 0 0 0
- 3.4129 -0.6740 1.8999 O 0 0 0
- -2.7279 -0.9761 0.0514 C 0 0 0
- -3.3176 1.3811 0.0634 C 0 0 0
- -4.0903 -1.2978 0.1294 C 0 0 0
- -4.6365 1.0350 0.1392 C 0 0 0
- -5.0201 -0.3006 0.1723 C 0 0 0
- 1.6797 -1.9011 0.0000 H 0 0 0
- 0.2718 -2.4674 0.0000 H 0 0 0
- 1.1823 3.3068 0.0000 H 0 0 0
- 3.5580 2.5694 0.0000 H 0 0 0
- 4.4191 -1.4550 0.0000 H 0 0 0
- 3.5137 -2.1311 0.0000 H 0 0 0
- -1.1707 2.8175 0.0000 H 0 0 0
- -2.0396 -2.9936 0.0000 H 0 0 0
- 5.1455 0.8662 0.0000 H 0 0 0
- 2.3809 -0.4979 0.0000 H 0 0 0
- -3.0383 2.3900 0.0000 H 0 0 0
- -4.3939 -2.2997 0.0000 H 0 0 0
- -5.3682 1.7837 0.0000 H 0 0 0
- -6.0381 -0.5447 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 11 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 7 12 2 0
- 9 14 1 0
- 13 16 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-32-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.3393 0.9393 -0.0026 C 0 0 0
- -0.0066 -0.4383 -0.0015 C 0 0 0
- 0.6846 1.9005 -0.0015 C 0 0 0
- -1.6958 1.3136 0.0009 C 0 0 0
- 1.3483 -0.8141 0.0004 C 0 0 0
- -0.9773 -1.3569 -0.0017 N 0 0 0
- 1.9851 1.4980 0.0007 C 0 0 0
- -2.6375 0.3239 0.0054 C 0 0 0
- 2.3147 0.1439 0.0010 C 0 0 0
- 1.7288 -2.2722 0.0021 C 0 0 0
- -2.2422 -1.0117 -0.0029 C 0 0 0
- 0.4496 2.9187 0.0000 H 0 0 0
- -1.9750 2.3205 0.0000 H 0 0 0
- 2.7463 2.2139 0.0000 H 0 0 0
- -3.6534 0.5686 0.0000 H 0 0 0
- 3.3202 -0.1404 0.0000 H 0 0 0
- 0.7177 -2.5360 0.0000 H 0 0 0
- 1.9926 -3.2833 0.0000 H 0 0 0
- 2.7399 -2.0084 0.0000 H 0 0 0
- -2.9732 -1.7584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81-54-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.7010 0.5453 0.0883 C 0 0 0
- -0.5453 -0.8591 0.0748 C 0 0 0
- 0.4862 1.4102 0.2181 C 0 0 0
- -1.9731 1.1004 -0.0269 C 0 0 0
- 0.7999 -1.4441 0.1903 C 0 0 0
- -1.6691 -1.6803 -0.0490 C 0 0 0
- 1.8303 0.8233 0.0252 C 0 0 0
- 0.3619 2.5909 0.4800 O 0 0 0
- -3.0895 0.2611 -0.1554 C 0 0 0
- -2.1318 2.4474 -0.0143 O 0 0 0
- 1.9839 -0.5751 0.0116 C 0 0 0
- 0.9369 -2.6286 0.4303 O 0 0 0
- -2.9352 -1.1117 -0.1588 C 0 0 0
- -1.5268 -3.0287 -0.0625 O 0 0 0
- 2.9428 1.6415 -0.1432 C 0 0 0
- -4.3300 0.8008 -0.2677 O 0 0 0
- 3.2471 -1.1282 -0.1700 C 0 0 0
- 4.1922 1.0748 -0.3226 C 0 0 0
- 4.3432 -0.3002 -0.3362 C 0 0 0
- -2.2532 3.4777 0.0000 H 0 0 0
- -3.7733 -1.7232 0.0000 H 0 0 0
- -1.4179 -4.0604 0.0000 H 0 0 0
- 2.8349 2.6733 0.0000 H 0 0 0
- -5.2813 1.2147 0.0000 H 0 0 0
- 3.3683 -2.1585 0.0000 H 0 0 0
- 5.0322 1.6836 0.0000 H 0 0 0
- 5.2958 -0.7111 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 15 18 2 0
- 17 19 2 0
- 7 11 2 0
- 9 13 2 0
- 18 19 1 0
- 10 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 19 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-127-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.4900 -0.4848 0.0533 C 0 0 0
- -0.3301 -1.7955 0.2562 S 0 0 0
- -2.3461 -0.4832 -1.0324 C 0 0 0
- -1.5460 0.5372 0.9836 C 0 0 0
- 1.0607 -1.3511 -0.5252 N 0 0 0
- -0.0065 -1.8140 1.6397 O 0 0 0
- -0.8536 -2.8918 -0.4808 O 0 0 0
- -3.2566 0.5428 -1.1944 C 0 0 0
- -2.4538 1.5659 0.8277 C 0 0 0
- 1.7336 -0.2061 -0.1414 C 0 0 0
- -3.3116 1.5736 -0.2652 C 0 0 0
- 2.8859 0.2894 -0.6845 C 0 0 0
- 1.3832 0.6453 0.8357 O 0 0 0
- -4.2308 2.6128 -0.4263 N 0 0 0
- 3.1384 1.4560 0.0633 C 0 0 0
- 3.6977 -0.2803 -1.8191 C 0 0 0
- 2.1729 1.5556 0.9337 N 0 0 0
- 4.2957 2.4054 -0.1113 C 0 0 0
- -2.7175 -1.3072 0.0000 H 0 0 0
- -0.7097 0.8799 0.0000 H 0 0 0
- 1.6251 -2.0571 0.0000 H 0 0 0
- -4.0927 0.1995 0.0000 H 0 0 0
- -2.0784 2.3881 0.0000 H 0 0 0
- -3.9439 3.4699 0.0000 H 0 0 0
- -5.1165 2.4327 0.0000 H 0 0 0
- 3.1785 -1.0201 0.0000 H 0 0 0
- 4.4375 -0.7995 0.0000 H 0 0 0
- 4.2169 0.4595 0.0000 H 0 0 0
- 4.8689 1.7066 0.0000 H 0 0 0
- 4.9945 2.9786 0.0000 H 0 0 0
- 3.7225 3.1042 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 9 11 1 0
- 15 17 2 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 8 22 1 0
- 9 23 1 0
- 14 24 1 0
- 14 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134-50-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.1646 0.8922 0.0028 C 0 0 0
- -1.2063 -0.5271 0.0016 C 0 0 0
- 0.0000 1.5390 0.0023 N 0 0 0
- -2.3787 1.6083 -0.0013 C 0 0 0
- 0.0001 -1.2553 0.0003 C 0 0 0
- -2.4472 -1.1860 0.0012 C 0 0 0
- 1.1642 0.8922 0.0011 C 0 0 0
- -3.5604 0.9362 -0.0064 C 0 0 0
- 1.2061 -0.5271 0.0003 C 0 0 0
- 0.0003 -2.6335 -0.0005 N 0 0 0
- -3.5970 -0.4577 0.0020 C 0 0 0
- 2.3788 1.6085 0.0007 C 0 0 0
- 2.4475 -1.1860 -0.0015 C 0 0 0
- 3.5602 0.9366 -0.0010 C 0 0 0
- 3.5968 -0.4578 -0.0020 C 0 0 0
- -2.3705 2.6544 0.0000 H 0 0 0
- -2.4872 -2.2314 0.0000 H 0 0 0
- -4.4577 1.4740 0.0000 H 0 0 0
- -0.9056 -3.1567 0.0000 H 0 0 0
- 0.9064 -3.1564 0.0000 H 0 0 0
- -4.5201 -0.9500 0.0000 H 0 0 0
- 2.3706 2.6546 0.0000 H 0 0 0
- 2.4877 -2.2314 0.0000 H 0 0 0
- 4.4575 1.4744 0.0000 H 0 0 0
- 4.5199 -0.9501 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 11 2 0
- 14 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42397-65-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6524 -0.8637 -0.0212 C 0 0 0
- -0.6524 -0.8637 -0.0211 C 0 0 0
- 1.3952 0.4104 0.0077 C 0 0 0
- 1.4023 -2.1325 -0.0440 C 0 0 0
- -1.3952 0.4104 0.0080 C 0 0 0
- -1.4023 -2.1323 -0.0494 C 0 0 0
- 2.8671 0.3429 0.0067 C 0 0 0
- 0.7392 1.5460 0.0327 C 0 0 0
- 2.7142 -2.0975 -0.0429 C 0 0 0
- 0.6598 -3.4039 -0.0669 C 0 0 0
- -2.8671 0.3429 0.0072 C 0 0 0
- -0.7392 1.5460 0.0328 C 0 0 0
- -2.7143 -2.0974 -0.0480 C 0 0 0
- -0.6598 -3.4037 -0.0781 C 0 0 0
- 3.4589 -0.8321 -0.0196 C 0 0 0
- 3.6040 1.4797 0.0322 N 0 3 0
- -3.4589 -0.8321 -0.0190 C 0 0 0
- -3.6040 1.4797 0.0337 N 0 3 0
- 3.3614 2.3804 -0.7510 O 0 0 0
- 4.5090 1.6009 0.8383 O 0 5 0
- -4.5084 1.6005 0.8405 O 0 0 0
- -3.3620 2.3808 -0.7493 O 0 5 0
- 1.2471 2.4260 0.0000 H 0 0 0
- 3.2303 -2.9727 0.0000 H 0 0 0
- 1.1656 -4.2851 0.0000 H 0 0 0
- -1.2471 2.4260 0.0000 H 0 0 0
- -3.2304 -2.9727 0.0000 H 0 0 0
- -1.1657 -4.2849 0.0000 H 0 0 0
- 4.4744 -0.8653 0.0000 H 0 0 0
- -4.4744 -0.8653 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 8 12 1 0
- 9 15 1 0
- 10 14 2 0
- 13 17 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-39-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.8800 0.0024 -0.5886 C 0 0 0
- 1.5088 -1.1958 -0.3069 C 0 0 0
- 1.5115 1.1985 -0.3020 C 0 0 0
- -0.4911 0.0050 -1.2138 C 0 0 0
- 2.7692 -1.1982 0.2614 C 0 0 0
- 2.7714 1.1961 0.2661 C 0 0 0
- -1.8564 -0.0008 0.2008 Br 0 0 0
- 3.4004 -0.0025 0.5478 C 0 0 0
- 0.9830 -2.0636 0.0000 H 0 0 0
- 0.9885 2.0680 0.0000 H 0 0 0
- 0.0161 0.8838 0.0000 H 0 0 0
- -1.0004 0.8826 0.0000 H 0 0 0
- 3.2923 -2.0676 0.0000 H 0 0 0
- 3.2972 2.0639 0.0000 H 0 0 0
- 4.4151 -0.0037 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17564-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.5342 -2.2518 -0.4329 O 0 0 0
- -0.1313 -1.1093 -0.3477 C 0 0 0
- 1.2607 -0.7047 -0.0583 C 0 0 0
- -0.8758 -0.0002 -0.5067 N 0 0 0
- 1.2602 0.7048 -0.0565 C 0 0 0
- 2.4380 -1.3937 0.1847 C 0 0 0
- -2.3086 -0.0003 -0.8121 C 0 0 0
- -0.1312 1.1091 -0.3488 C 0 0 0
- 2.4372 1.3939 0.1881 C 0 0 0
- 3.6078 -0.6910 0.4280 C 0 0 0
- -3.2507 0.0001 0.7252 Cl 0 0 0
- -0.5342 2.2515 -0.4351 O 0 0 0
- 3.6074 0.6913 0.4293 C 0 0 0
- 2.4439 -2.4170 0.0000 H 0 0 0
- -2.8205 -0.8863 0.0000 H 0 0 0
- -1.7970 -0.8865 0.0000 H 0 0 0
- 2.4429 2.4172 0.0000 H 0 0 0
- 4.4985 -1.1948 0.0000 H 0 0 0
- 4.4979 1.1955 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 5 8 1 0
- 10 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6358-85-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 73 1 V2000
- 2.3704 3.7547 -1.2993 Cl 0 0 0
- 2.1199 2.1308 -0.7391 C 0 0 0
- 0.8525 1.5905 -0.7357 C 0 0 0
- 3.2056 1.3676 -0.2963 C 0 0 0
- 0.6515 0.2851 -0.2853 C 0 0 0
- 4.4658 1.9006 -0.3039 N 0 0 0
- 3.0017 0.0605 0.1543 C 0 0 0
- 1.7335 -0.4744 0.1625 C 0 0 0
- -0.7119 -0.2950 -0.2819 C 0 0 0
- 5.4277 1.2237 0.0888 N 0 0 0
- -0.9036 -1.6262 -0.6525 C 0 0 0
- -1.8027 0.4894 0.0975 C 0 0 0
- 6.7770 1.7943 0.0806 C 0 0 0
- -2.1714 -2.1667 -0.6496 C 0 0 0
- -3.0696 -0.0475 0.1013 C 0 0 0
- 7.7567 0.7748 0.6019 C 0 0 0
- 7.1520 2.1770 -1.3279 C 0 0 0
- -2.4106 -3.8233 -1.1101 Cl 0 0 0
- -3.2651 -1.3795 -0.2750 C 0 0 0
- 7.6625 -0.5116 0.2111 N 0 0 0
- 8.6300 1.1119 1.3731 O 0 0 0
- 7.9272 3.4438 -1.5835 C 0 0 0
- 6.8313 1.4686 -2.2518 O 0 0 0
- -4.5247 -1.9141 -0.2720 N 0 0 0
- 8.4550 -1.4887 0.8236 C 0 0 0
- -5.4939 -1.2156 0.0602 N 0 0 0
- 7.8994 -2.7086 1.1859 C 0 0 0
- 9.8004 -1.2427 1.0652 C 0 0 0
- -6.8425 -1.7880 0.0634 C 0 0 0
- 8.6845 -3.6712 1.7900 C 0 0 0
- 10.5799 -2.2092 1.6694 C 0 0 0
- -7.8321 -0.7397 0.5023 C 0 0 0
- -7.1917 -2.2586 -1.3250 C 0 0 0
- 10.0223 -3.4212 2.0338 C 0 0 0
- -7.6079 0.5589 0.2197 N 0 0 0
- -8.8303 -1.0645 1.1098 O 0 0 0
- -8.1699 -3.3894 -1.5135 C 0 0 0
- -6.6878 -1.7295 -2.2864 O 0 0 0
- -8.3386 1.5544 0.8778 C 0 0 0
- -9.2244 2.3525 0.1663 C 0 0 0
- -8.1836 1.7425 2.2452 C 0 0 0
- -9.9446 3.3341 0.8190 C 0 0 0
- -8.9065 2.7254 2.8918 C 0 0 0
- -9.7841 3.5222 2.1793 C 0 0 0
- 0.0664 2.2010 0.0000 H 0 0 0
- 3.7860 -0.5523 0.0000 H 0 0 0
- 1.6278 -1.4641 0.0000 H 0 0 0
- -0.1145 -2.2328 0.0000 H 0 0 0
- -1.6922 1.4786 0.0000 H 0 0 0
- 6.2168 2.6170 0.0000 H 0 0 0
- -3.8572 0.5611 0.0000 H 0 0 0
- 6.7129 -0.8097 0.0000 H 0 0 0
- 8.7762 2.9243 0.0000 H 0 0 0
- 8.4467 4.2928 0.0000 H 0 0 0
- 7.0782 3.9633 0.0000 H 0 0 0
- 6.9123 -2.8361 0.0000 H 0 0 0
- 10.1469 -0.3096 0.0000 H 0 0 0
- -6.2268 -2.5701 0.0000 H 0 0 0
- 8.3423 -4.6059 0.0000 H 0 0 0
- 11.5676 -2.0863 0.0000 H 0 0 0
- 10.6343 -4.2062 0.0000 H 0 0 0
- -6.6390 0.7869 0.0000 H 0 0 0
- -8.9227 -2.7382 0.0000 H 0 0 0
- -8.8211 -4.1422 0.0000 H 0 0 0
- -7.4171 -4.0406 0.0000 H 0 0 0
- -9.9626 1.6849 0.0000 H 0 0 0
- -7.1886 1.7151 0.0000 H 0 0 0
- -10.9393 3.3706 0.0000 H 0 0 0
- -8.1674 3.3920 0.0000 H 0 0 0
- -9.8474 4.5155 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 9 2 0
- 12 9 1 0
- 13 10 1 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 13 1 0
- 18 14 1 0
- 19 14 2 0
- 20 16 1 0
- 21 16 2 0
- 22 17 1 0
- 23 17 2 0
- 24 19 1 0
- 25 20 1 0
- 26 24 2 0
- 27 25 2 0
- 28 25 1 0
- 29 26 1 0
- 30 27 1 0
- 31 28 2 0
- 32 29 1 0
- 33 29 1 0
- 34 30 2 0
- 35 32 1 0
- 36 32 2 0
- 37 33 1 0
- 38 33 2 0
- 39 35 1 0
- 40 39 2 0
- 41 39 1 0
- 42 40 1 0
- 43 41 2 0
- 44 42 2 0
- 7 8 1 0
- 15 19 1 0
- 31 34 1 0
- 43 44 1 0
- 3 45 1 0
- 7 46 1 0
- 8 47 1 0
- 11 48 1 0
- 12 49 1 0
- 13 50 1 0
- 15 51 1 0
- 20 52 1 0
- 22 53 1 0
- 22 54 1 0
- 22 55 1 0
- 27 56 1 0
- 28 57 1 0
- 29 58 1 0
- 30 59 1 0
- 31 60 1 0
- 34 61 1 0
- 35 62 1 0
- 37 63 1 0
- 37 64 1 0
- 37 65 1 0
- 40 66 1 0
- 41 67 1 0
- 42 68 1 0
- 43 69 1 0
- 44 70 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7390-81-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 55 1 V2000
- -8.6673 0.4148 -0.2926 C 0 0 0
- -9.9189 -0.4583 -0.1829 C 0 0 0
- -9.4480 0.3435 0.9021 O 0 0 0
- -7.4208 -0.4592 -0.1401 C 0 0 0
- -6.1692 0.4139 -0.2499 C 0 0 0
- -4.9227 -0.4602 -0.0974 C 0 0 0
- -3.6711 0.4130 -0.2071 C 0 0 0
- -2.4246 -0.4611 -0.0547 C 0 0 0
- -1.1730 0.4120 -0.1644 C 0 0 0
- 0.0735 -0.4620 -0.0119 C 0 0 0
- 1.3251 0.4111 -0.1216 C 0 0 0
- 2.5716 -0.4629 0.0308 C 0 0 0
- 3.8232 0.4102 -0.0789 C 0 0 0
- 5.0697 -0.4638 0.0736 C 0 0 0
- 6.3213 0.4093 -0.0361 C 0 0 0
- 7.5678 -0.4647 0.1163 C 0 0 0
- 8.8194 0.4084 0.0066 C 0 0 0
- 10.0658 -0.4656 0.1591 C 0 0 0
- 11.3175 0.4075 0.0494 C 0 0 0
- -8.3735 1.5182 0.0000 H 0 0 0
- -11.0477 -0.2866 0.0000 H 0 0 0
- -9.6596 -1.5703 0.0000 H 0 0 0
- -8.1807 -1.3114 0.0000 H 0 0 0
- -6.6629 -1.3132 0.0000 H 0 0 0
- -5.4092 1.2661 0.0000 H 0 0 0
- -6.9271 1.2679 0.0000 H 0 0 0
- -5.6827 -1.3124 0.0000 H 0 0 0
- -4.1648 -1.3142 0.0000 H 0 0 0
- -2.9111 1.2652 0.0000 H 0 0 0
- -4.4290 1.2670 0.0000 H 0 0 0
- -3.1846 -1.3133 0.0000 H 0 0 0
- -1.6667 -1.3151 0.0000 H 0 0 0
- -0.4131 1.2642 0.0000 H 0 0 0
- -1.9309 1.2660 0.0000 H 0 0 0
- -0.6864 -1.3142 0.0000 H 0 0 0
- 0.8314 -1.3160 0.0000 H 0 0 0
- 2.0850 1.2633 0.0000 H 0 0 0
- 0.5672 1.2651 0.0000 H 0 0 0
- 1.8117 -1.3151 0.0000 H 0 0 0
- 3.3295 -1.3169 0.0000 H 0 0 0
- 4.5831 1.2624 0.0000 H 0 0 0
- 3.0653 1.2642 0.0000 H 0 0 0
- 4.3098 -1.3160 0.0000 H 0 0 0
- 5.8276 -1.3178 0.0000 H 0 0 0
- 7.0812 1.2615 0.0000 H 0 0 0
- 5.5634 1.2633 0.0000 H 0 0 0
- 6.8079 -1.3169 0.0000 H 0 0 0
- 8.3257 -1.3187 0.0000 H 0 0 0
- 9.5794 1.2606 0.0000 H 0 0 0
- 8.0615 1.2624 0.0000 H 0 0 0
- 9.3058 -1.3178 0.0000 H 0 0 0
- 10.8237 -1.3197 0.0000 H 0 0 0
- 11.9707 -0.5290 0.0000 H 0 0 0
- 12.2540 1.0607 0.0000 H 0 0 0
- 10.6643 1.3440 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 2 3 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 19 54 1 0
- 19 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21829-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- 0.0319 -0.3349 -0.3279 C 0 0 0
- -0.0524 0.7474 0.7174 C 0 0 0
- 1.3283 -1.0787 -0.1751 C 0 0 0
- -1.1369 -1.2670 -0.1790 C 0 0 0
- -0.1692 2.0707 0.3344 C 0 0 0
- -0.0187 0.4166 2.0589 C 0 0 0
- 1.3716 -2.3071 0.3692 C 0 0 0
- 2.5289 -0.4733 -0.6129 C 0 0 0
- -0.9949 -2.4879 0.3654 C 0 0 0
- -2.4142 -0.8509 -0.6208 C 0 0 0
- -0.2465 3.0633 1.2930 C 0 0 0
- -0.2110 2.4244 -1.1023 N 0 3 0
- -0.0961 1.4095 3.0179 C 0 0 0
- 0.2281 -2.9252 0.7960 N 0 0 0
- 2.6960 -3.0122 0.5105 C 0 0 0
- 3.3054 0.1970 0.2639 O 0 0 0
- 2.8619 -0.5567 -1.7804 O 0 0 0
- -2.1973 -3.3858 0.5032 C 0 0 0
- -3.2865 -0.3071 0.2537 O 0 0 0
- -2.7268 -0.9832 -1.7893 O 0 0 0
- -0.2075 2.7329 2.6350 C 0 0 0
- 0.6172 1.9636 -1.8673 O 0 0 0
- -1.0736 3.1764 -1.5195 O 0 5 0
- 4.4298 0.6862 -0.4700 C 0 0 0
- -4.4698 0.0059 -0.4839 C 0 0 0
- 0.8085 0.1561 0.0000 H 0 0 0
- 0.0636 -0.4985 0.0000 H 0 0 0
- -0.3360 3.9778 0.0000 H 0 0 0
- 0.8197 1.4837 0.0000 H 0 0 0
- 0.2979 -3.8414 0.0000 H 0 0 0
- 2.2642 -3.8232 0.0000 H 0 0 0
- 3.5070 -3.4440 0.0000 H 0 0 0
- 3.1278 -2.2012 0.0000 H 0 0 0
- -2.7471 -2.6496 0.0000 H 0 0 0
- -2.9335 -3.9356 0.0000 H 0 0 0
- -1.6475 -4.1220 0.0000 H 0 0 0
- 0.7067 2.8253 0.0000 H 0 0 0
- 4.7964 -0.1563 0.0000 H 0 0 0
- 5.2723 1.0528 0.0000 H 0 0 0
- 4.0632 1.5287 0.0000 H 0 0 0
- -4.2348 0.8942 0.0000 H 0 0 0
- -5.3581 0.2409 0.0000 H 0 0 0
- -4.7048 -0.8824 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 9 18 1 0
- 10 19 1 0
- 10 20 2 0
- 11 21 1 0
- 12 22 2 0
- 12 23 1 0
- 16 24 1 0
- 19 25 1 0
- 9 14 1 0
- 13 21 2 0
- 1 26 1 0
- 6 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 21 37 1 0
- 24 38 1 0
- 24 39 1 0
- 24 40 1 0
- 25 41 1 0
- 25 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-838-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.6828 0.3814 -0.0013 C 0 0 0
- -0.7754 0.5902 -0.0014 C 0 0 0
- 1.5480 1.4794 -0.0013 C 0 0 0
- 1.2052 -0.9157 0.0048 C 0 0 0
- -1.6050 -0.4659 -0.0014 C 0 0 0
- 2.9111 1.2800 -0.0011 C 0 0 0
- 2.5690 -1.1069 0.0049 C 0 0 0
- -3.0638 -0.2569 -0.0016 C 0 0 0
- 3.4267 -0.0116 -0.0010 C 0 0 0
- -3.9303 -1.3536 -0.0016 C 0 0 0
- -3.5875 1.0385 0.0040 C 0 0 0
- 4.8075 -0.2094 -0.0009 N 0 0 0
- -5.2942 -1.1503 -0.0018 C 0 0 0
- -4.9540 1.2263 0.0037 C 0 0 0
- 5.3527 -1.5691 -0.0007 C 0 0 0
- 5.7125 0.9427 -0.0009 C 0 0 0
- -5.8056 0.1358 -0.0021 C 0 0 0
- -1.1642 1.5599 0.0000 H 0 0 0
- 1.1614 2.4500 0.0000 H 0 0 0
- 0.5617 -1.7387 0.0000 H 0 0 0
- -1.2162 -1.4356 0.0000 H 0 0 0
- 3.5583 2.1001 0.0000 H 0 0 0
- 2.9600 -2.0757 0.0000 H 0 0 0
- -3.5456 -2.3250 0.0000 H 0 0 0
- -2.9456 1.8628 0.0000 H 0 0 0
- -5.9431 -1.9691 0.0000 H 0 0 0
- -5.3470 2.1944 0.0000 H 0 0 0
- 4.3830 -1.9579 0.0000 H 0 0 0
- 5.7415 -2.5388 0.0000 H 0 0 0
- 6.3224 -1.1803 0.0000 H 0 0 0
- 6.5341 0.2973 0.0000 H 0 0 0
- 6.3579 1.7643 0.0000 H 0 0 0
- 4.8909 1.5881 0.0000 H 0 0 0
- -6.8398 0.2839 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 1 0
- 7 9 1 0
- 14 17 2 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-215-62-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2452 0.7529 -0.0039 C 0 0 0
- -0.2922 -0.6620 -0.0031 C 0 0 0
- 1.0530 1.4504 -0.0020 C 0 0 0
- -1.4282 1.4797 -0.0005 C 0 0 0
- 0.9672 -1.4314 -0.0010 C 0 0 0
- -1.4503 -1.3013 -0.0034 N 0 0 0
- 2.2482 0.7104 0.0005 C 0 0 0
- 1.1055 2.8451 -0.0033 C 0 0 0
- -2.6393 0.7705 0.0036 C 0 0 0
- 2.2032 -0.7627 0.0004 C 0 0 0
- 0.9367 -2.8272 0.0002 C 0 0 0
- -2.6125 -0.6491 -0.0052 C 0 0 0
- 3.4734 1.3791 0.0017 C 0 0 0
- 2.3247 3.4864 -0.0020 C 0 0 0
- -3.8750 1.4417 0.0077 C 0 0 0
- 3.3869 -1.5029 0.0029 C 0 0 0
- 2.1159 -3.5391 0.0027 C 0 0 0
- -3.8320 -1.3537 -0.0050 C 0 0 0
- 3.5040 2.7563 0.0005 C 0 0 0
- -5.0309 0.7240 0.0121 C 0 0 0
- 3.3360 -2.8794 0.0040 C 0 0 0
- -5.0076 -0.6704 -0.0064 C 0 0 0
- -1.4171 2.5265 0.0000 H 0 0 0
- 0.2198 3.4030 0.0000 H 0 0 0
- 0.0195 -3.3317 0.0000 H 0 0 0
- 4.3676 0.8349 0.0000 H 0 0 0
- 2.3614 4.5326 0.0000 H 0 0 0
- -3.9054 2.4881 0.0000 H 0 0 0
- 4.3118 -1.0126 0.0000 H 0 0 0
- 2.0911 -4.5856 0.0000 H 0 0 0
- -3.8334 -2.4005 0.0000 H 0 0 0
- 4.4241 3.2555 0.0000 H 0 0 0
- -5.9500 1.2252 0.0000 H 0 0 0
- 4.2251 -3.4319 0.0000 H 0 0 0
- -5.9105 -1.2000 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 2 0
- 10 5 2 0
- 11 5 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 1 0
- 16 10 1 0
- 17 11 2 0
- 18 12 1 0
- 19 13 2 0
- 20 15 2 0
- 21 16 2 0
- 22 18 2 0
- 7 10 1 0
- 9 12 1 0
- 14 19 1 0
- 17 21 1 0
- 20 22 1 0
- 4 23 1 0
- 8 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-957-52-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.1642 0.2016 0.2251 C 0 0 0
- 0.7271 -0.9625 0.2094 C 0 0 0
- 1.1482 1.2655 0.0309 C 0 0 0
- -1.2581 0.4682 0.4032 C 0 0 0
- 2.1682 -0.7543 -0.0023 C 0 0 0
- -0.1663 -2.1216 0.3961 C 0 0 0
- 2.4229 0.5448 -0.1074 C 0 0 0
- 0.7033 2.4973 0.0258 C 0 0 0
- -2.0538 -0.5616 0.5641 C 0 0 0
- -1.6614 1.8846 0.3834 C 0 0 0
- 3.2810 -1.7167 -0.1059 C 0 0 0
- -1.4605 -1.9171 0.5653 C 0 0 0
- 3.8019 1.0095 -0.3234 C 0 0 0
- -0.7255 2.8002 0.2079 C 0 0 0
- -3.5362 -0.3685 0.7548 C 0 0 0
- 4.5109 -1.2971 -0.2995 C 0 0 0
- 4.7888 0.1449 -0.4139 C 0 0 0
- -4.3550 -0.3786 -0.8516 Cl 0 0 0
- 0.2355 -3.1315 0.0000 H 0 0 0
- 1.4172 3.3169 0.0000 H 0 0 0
- -2.7119 2.1635 0.0000 H 0 0 0
- 3.0735 -2.7836 0.0000 H 0 0 0
- -2.1247 -2.7774 0.0000 H 0 0 0
- 4.0149 2.0753 0.0000 H 0 0 0
- -1.0288 3.8439 0.0000 H 0 0 0
- -2.9173 0.5249 0.0000 H 0 0 0
- -4.0464 0.5912 0.0000 H 0 0 0
- 5.3307 -2.0107 0.0000 H 0 0 0
- 5.8169 0.4976 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 16 17 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-501-92-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -2.0948 -0.3934 -0.7444 C 0 0 0
- -2.8942 -0.2538 0.5255 C 0 0 0
- -0.6296 -0.2206 -0.4372 C 0 0 0
- -3.8012 0.6858 0.6285 C 0 0 0
- 0.1400 -1.3199 -0.1048 C 0 0 0
- -0.0560 1.0364 -0.4938 C 0 0 0
- 1.4837 -1.1642 0.1768 C 0 0 0
- 1.2868 1.1973 -0.2131 C 0 0 0
- 2.0603 0.0964 0.1259 C 0 0 0
- 3.3816 0.2521 0.4029 O 0 0 0
- -2.6658 -1.2286 0.0000 H 0 0 0
- -1.5710 -1.2589 0.0000 H 0 0 0
- -3.3685 -1.1474 0.0000 H 0 0 0
- -3.5221 1.6583 0.0000 H 0 0 0
- -4.7829 0.4412 0.0000 H 0 0 0
- -0.2747 -2.2427 0.0000 H 0 0 0
- -0.6528 1.8533 0.0000 H 0 0 0
- 2.0786 -1.9825 0.0000 H 0 0 0
- 1.6989 2.1213 0.0000 H 0 0 0
- 4.3864 0.3705 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 8 9 1 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-541-73-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.0002 -0.6103 0.0004 C 0 0 0
- -1.1978 0.0815 0.0003 C 0 0 0
- 1.1979 0.0817 0.0002 C 0 0 0
- -1.1971 1.4654 0.0000 C 0 0 0
- -2.7015 -0.7859 -0.0001 Cl 0 0 0
- 1.1973 1.4650 -0.0001 C 0 0 0
- 2.7015 -0.7859 -0.0002 Cl 0 0 0
- -0.0001 2.1560 -0.0002 C 0 0 0
- -0.0002 -1.6479 0.0000 H 0 0 0
- -2.0955 1.9846 0.0000 H 0 0 0
- 2.0957 1.9841 0.0000 H 0 0 0
- 0.0000 3.1936 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 1 9 1 0
- 4 10 1 0
- 6 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95860-07-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.3722 -0.1573 -0.0031 C 0 0 0
- 0.0699 -0.6413 -0.0027 C 0 0 0
- 1.6005 1.2127 -0.0008 C 0 0 0
- 2.4494 -1.0464 0.0001 N 0 0 0
- -0.9927 0.2404 -0.0001 C 0 0 0
- 0.5330 2.0892 0.0018 C 0 0 0
- 3.0114 1.7424 -0.0017 C 0 0 0
- 2.2148 -2.4428 0.0037 O 0 0 0
- -0.7618 1.6041 0.0022 C 0 0 0
- -2.3803 -0.2743 -0.0002 N 0 3 0
- -3.3182 0.5029 0.0021 O 0 0 0
- -2.5845 -1.4751 -0.0026 O 0 5 0
- -0.1043 -1.6661 0.0000 H 0 0 0
- 3.4233 -0.6830 0.0000 H 0 0 0
- 0.7032 3.1147 0.0000 H 0 0 0
- 3.3768 0.7692 0.0000 H 0 0 0
- 3.9846 2.1078 0.0000 H 0 0 0
- 2.6460 2.7156 0.0000 H 0 0 0
- 2.0426 -3.4679 0.0000 H 0 0 0
- -1.5635 2.2658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92072-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.8184 0.1121 -0.0044 C 0 0 0
- -0.2831 -0.7718 -0.0001 C 0 0 0
- 0.6206 1.5107 -0.0155 C 0 0 0
- 2.1333 -0.4080 0.0083 C 0 0 0
- -1.5995 -0.2505 -0.0068 C 0 0 0
- -0.0532 -2.1668 0.0114 C 0 0 0
- -0.6956 2.0319 -0.0222 C 0 0 0
- 1.7426 2.3706 -0.0192 C 0 0 0
- 3.2267 0.4762 0.0039 C 0 0 0
- 2.3255 -1.8005 0.0246 C 0 0 0
- -1.7972 1.1482 -0.0178 C 0 0 0
- -2.7220 -1.1096 -0.0021 C 0 0 0
- 1.2316 -2.6572 0.0184 C 0 0 0
- -0.9246 3.4271 -0.0329 C 0 0 0
- 3.0155 1.8490 -0.0120 C 0 0 0
- 4.6074 -0.0577 0.0176 N 0 3 0
- -3.1117 1.6692 -0.0240 C 0 0 0
- -3.9946 -0.5873 -0.0083 C 0 0 0
- -2.5274 -2.5770 0.0089 N 0 3 0
- -2.2091 3.9182 -0.0388 C 0 0 0
- 5.4279 0.3956 0.7953 O 0 0 0
- 4.9741 -1.0954 -0.8733 O 0 5 0
- -4.2055 0.7855 -0.0191 C 0 0 0
- -3.3033 3.0619 -0.0355 C 0 0 0
- -2.4687 -3.1915 -1.0411 O 0 0 0
- -2.4093 -3.2664 1.2401 O 0 5 0
- -0.8701 -2.8338 0.0000 H 0 0 0
- 1.6033 3.4160 0.0000 H 0 0 0
- 3.3031 -2.1962 0.0000 H 0 0 0
- 1.3891 -3.7000 0.0000 H 0 0 0
- -0.1073 4.0936 0.0000 H 0 0 0
- 3.8439 2.5017 0.0000 H 0 0 0
- -4.8233 -1.2396 0.0000 H 0 0 0
- -2.3661 4.9611 0.0000 H 0 0 0
- -5.1890 1.1663 0.0000 H 0 0 0
- -4.2807 3.4580 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 16 22 1 0
- 17 23 1 0
- 17 24 2 0
- 19 25 2 0
- 19 26 1 0
- 7 11 2 0
- 9 15 2 0
- 10 13 1 0
- 18 23 2 0
- 20 24 1 0
- 6 27 1 0
- 8 28 1 0
- 10 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 18 33 1 0
- 20 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70403-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.5485 0.2441 -0.0088 C 0 0 0
- -1.2284 -0.9897 -0.0254 C 0 0 0
- 0.9241 0.2782 0.0203 C 0 0 0
- -1.2850 1.4274 -0.0261 C 0 0 0
- -0.5332 -2.2173 -0.0149 C 0 0 0
- -2.6468 -1.0082 -0.0539 C 0 0 0
- 1.6552 -0.9268 0.0315 C 0 0 0
- 1.6035 1.4962 0.0364 C 0 0 0
- -2.6869 1.3907 -0.0591 C 0 0 0
- -0.6422 2.6214 -0.0104 O 0 0 0
- 0.9431 -2.2147 0.0147 C 0 0 0
- -1.2058 -3.3579 -0.0319 N 0 0 0
- -3.3599 0.2027 -0.0643 C 0 0 0
- -3.2915 -2.2546 -0.0702 C 0 0 0
- 3.0509 -0.8902 0.0586 C 0 0 0
- 2.9808 1.5160 0.0631 C 0 0 0
- -3.3863 2.5559 -0.0751 O 0 0 0
- -0.7533 3.1675 -1.3262 C 0 0 0
- 1.5622 -3.2626 0.0246 O 0 0 0
- -2.5231 -3.4019 -0.0589 C 0 0 0
- 3.7053 0.3280 0.0742 C 0 0 0
- -3.4991 2.9886 1.2822 C 0 0 0
- 5.0637 0.3650 0.1006 O 0 0 0
- 5.4391 1.7438 0.1112 C 0 0 0
- 1.0677 2.3938 0.0000 H 0 0 0
- -4.4052 0.1939 0.0000 H 0 0 0
- -4.3352 -2.3135 0.0000 H 0 0 0
- 3.5991 -1.7803 0.0000 H 0 0 0
- 3.4860 2.4312 0.0000 H 0 0 0
- 0.2711 3.3759 0.0000 H 0 0 0
- -0.9617 4.1919 0.0000 H 0 0 0
- -1.7777 2.9591 0.0000 H 0 0 0
- -2.9999 -4.3322 0.0000 H 0 0 0
- -2.4876 3.2523 0.0000 H 0 0 0
- -3.7628 4.0001 0.0000 H 0 0 0
- -4.5106 2.7249 0.0000 H 0 0 0
- 6.4477 1.4692 0.0000 H 0 0 0
- 5.7137 2.7524 0.0000 H 0 0 0
- 4.4305 2.0184 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 12 20 1 0
- 15 21 1 0
- 17 22 1 0
- 21 23 1 0
- 23 24 1 0
- 7 11 1 0
- 9 13 1 0
- 14 20 2 0
- 16 21 2 0
- 8 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 20 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
- 24 37 1 0
- 24 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-05-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -1.0671 -0.0001 0.0014 C 0 0 0
- -0.3711 -1.2020 0.0007 C 0 0 0
- -0.3708 1.2022 0.0010 C 0 0 0
- -2.4638 0.0000 -0.0035 N 0 0 0
- 1.0101 -1.1985 -0.0002 C 0 0 0
- -1.1221 -2.5086 0.0015 C 0 0 0
- 1.0100 1.1985 0.0001 C 0 0 0
- -1.1217 2.5088 0.0012 C 0 0 0
- 1.6999 -0.0002 -0.0005 C 0 0 0
- 3.2069 -0.0003 -0.0011 C 0 0 0
- -2.9847 0.9023 0.0000 H 0 0 0
- -2.9848 -0.9022 0.0000 H 0 0 0
- 1.5327 -2.0998 0.0000 H 0 0 0
- -2.0254 -1.9894 0.0000 H 0 0 0
- -1.6413 -3.4119 0.0000 H 0 0 0
- -0.2188 -3.0278 0.0000 H 0 0 0
- 1.5327 2.0997 0.0000 H 0 0 0
- -0.2184 3.0279 0.0000 H 0 0 0
- -1.6408 3.4121 0.0000 H 0 0 0
- -2.0250 1.9897 0.0000 H 0 0 0
- 3.2068 -1.0421 0.0000 H 0 0 0
- 4.2487 -0.0004 0.0000 H 0 0 0
- 3.2070 1.0415 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-779-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.2042 0.9295 -0.0028 C 0 0 0
- -1.2042 -0.5372 -0.0018 C 0 0 0
- -0.0001 1.6308 -0.0026 C 0 0 0
- -2.4424 1.6076 0.0020 C 0 0 0
- -0.0002 -1.2385 -0.0003 C 0 0 0
- -2.4423 -1.2154 -0.0021 C 0 0 0
- 1.2045 0.9295 -0.0015 C 0 0 0
- -3.5969 0.8938 0.0074 C 0 0 0
- 1.2045 -0.5372 0.0004 C 0 0 0
- -0.0003 -2.7455 0.0012 C 0 0 0
- -3.5969 -0.5016 -0.0032 C 0 0 0
- 2.4422 1.6074 -0.0008 C 0 0 0
- 2.4421 -1.2153 0.0016 C 0 0 0
- 3.5971 0.8934 0.0007 C 0 0 0
- 3.5970 -0.5015 0.0018 C 0 0 0
- -0.0002 2.6770 0.0000 H 0 0 0
- -2.4700 2.6534 0.0000 H 0 0 0
- -2.4698 -2.2612 0.0000 H 0 0 0
- -4.5107 1.4032 0.0000 H 0 0 0
- -1.0465 -2.7454 0.0000 H 0 0 0
- -0.0004 -3.7917 0.0000 H 0 0 0
- 1.0459 -2.7456 0.0000 H 0 0 0
- -4.5107 -1.0110 0.0000 H 0 0 0
- 2.4697 2.6532 0.0000 H 0 0 0
- 2.4695 -2.2611 0.0000 H 0 0 0
- 4.5109 1.4028 0.0000 H 0 0 0
- 4.5107 -1.0110 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 2 0
- 12 14 1 0
- 13 15 1 0
- 7 9 1 0
- 8 11 1 0
- 14 15 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-298-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 2.1850 -0.2054 0.1056 P 0 0 0
- 1.2542 -0.7783 1.2878 O 0 0 0
- 3.7334 -0.3645 0.5168 O 0 0 0
- 1.9017 -1.0300 -1.2479 O 0 0 0
- 1.7979 1.5962 -0.1720 S 0 0 0
- -0.0337 -0.5465 0.9211 C 0 0 0
- 4.4995 0.2847 -0.4999 C 0 0 0
- 1.0540 -0.2141 -2.0589 C 0 0 0
- -0.8205 -1.5879 0.4516 C 0 0 0
- -0.5655 0.7311 1.0211 C 0 0 0
- -2.1297 -1.3497 0.0798 C 0 0 0
- -1.8749 0.9641 0.6482 C 0 0 0
- -2.6556 -0.0748 0.1755 C 0 0 0
- -4.0584 0.1775 -0.2234 N 0 3 0
- -4.5228 1.3004 -0.1396 O 0 0 0
- -4.7484 -0.7377 -0.6356 O 0 5 0
- 5.1332 -0.4631 0.0000 H 0 0 0
- 5.2473 0.9184 0.0000 H 0 0 0
- 3.8658 1.0325 0.0000 H 0 0 0
- 1.7337 0.4921 0.0000 H 0 0 0
- 0.3478 0.4656 0.0000 H 0 0 0
- 0.3743 -0.9203 0.0000 H 0 0 0
- -0.4643 -2.5011 0.0000 H 0 0 0
- 0.0480 1.4956 0.0000 H 0 0 0
- -2.7458 -2.1120 0.0000 H 0 0 0
- -2.2340 1.8761 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 2 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 12 13 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77784-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -0.3091 0.9615 0.0466 C 0 0 0
- -1.2297 -0.1050 0.0421 C 0 0 0
- 1.1242 0.6557 0.0763 C 0 0 0
- -0.7695 2.2857 0.0171 C 0 0 0
- -0.7782 -1.4434 0.0634 C 0 0 0
- -2.6172 0.1871 0.0154 C 0 0 0
- 1.5278 -0.7011 0.0967 C 0 0 0
- 2.0834 1.6690 0.0850 C 0 0 0
- -2.1394 2.5497 -0.0154 C 0 0 0
- -0.0979 3.4704 0.0142 O 0 0 0
- 0.5610 -1.7226 0.0894 C 0 0 0
- -1.6813 -2.4988 0.0589 N 0 0 0
- -3.0544 1.5115 -0.0067 C 0 0 0
- -3.5678 -0.9285 0.0123 C 0 0 0
- 2.9018 -1.0077 0.1244 C 0 0 0
- 3.4212 1.3474 0.1129 C 0 0 0
- -2.3199 3.9037 -0.0397 O 0 0 0
- -1.0493 4.4526 -0.4353 C 0 0 0
- -3.0112 -2.3112 0.0353 C 0 0 0
- -1.1634 -3.8690 0.0801 C 0 0 0
- -4.7683 -0.7330 -0.0088 O 0 0 0
- 3.8312 0.0164 0.1322 C 0 0 0
- 3.3125 -2.3030 0.1437 O 0 0 0
- -3.7602 -3.2682 0.0328 O 0 0 0
- 5.1587 -0.2791 0.1592 O 0 0 0
- 3.6382 -2.6532 -1.2029 C 0 0 0
- 5.8591 0.9665 0.1608 C 0 0 0
- 1.7863 2.6704 0.0000 H 0 0 0
- 0.8734 -2.7193 0.0000 H 0 0 0
- -4.0777 1.7208 0.0000 H 0 0 0
- 4.1362 2.1089 0.0000 H 0 0 0
- -0.2171 5.0838 0.0000 H 0 0 0
- -1.5759 5.3547 0.0000 H 0 0 0
- -2.1405 -4.2383 0.0000 H 0 0 0
- -0.7941 -4.8461 0.0000 H 0 0 0
- -0.1863 -3.4997 0.0000 H 0 0 0
- 2.8733 -3.3646 0.0000 H 0 0 0
- 4.3496 -3.4181 0.0000 H 0 0 0
- 4.4031 -1.9418 0.0000 H 0 0 0
- 6.7696 0.4545 0.0000 H 0 0 0
- 6.3711 1.8770 0.0000 H 0 0 0
- 4.9486 1.4785 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 14 21 2 0
- 15 22 2 0
- 15 23 1 0
- 19 24 2 0
- 22 25 1 0
- 23 26 1 0
- 25 27 1 0
- 7 11 1 0
- 9 13 1 0
- 14 19 1 0
- 16 22 1 0
- 17 18 1 0
- 8 28 1 0
- 11 29 1 0
- 13 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
- 26 37 1 0
- 26 38 1 0
- 26 39 1 0
- 27 40 1 0
- 27 41 1 0
- 27 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-434-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 59 1 V2000
- -0.1635 -0.1363 -0.4501 C 0 0 1
- -1.0627 0.9999 0.0544 C 0 0 2
- 1.2648 0.0576 0.0679 C 0 0 2
- -0.6855 -1.5032 -0.0194 C 0 0 0
- -2.4601 0.7450 -0.4787 C 0 0 1
- -0.5219 2.3238 -0.4930 C 0 0 0
- 1.8156 1.4086 -0.3970 C 0 0 1
- 2.1281 -1.0638 -0.5242 C 0 0 0
- 1.2736 -0.0059 1.5965 C 0 0 0
- -2.1504 -1.7047 -0.4418 C 0 0 0
- -2.9547 -0.5756 0.1716 C 0 0 2
- -3.5362 1.7360 -0.0216 C 0 0 0
- 0.8878 2.5414 0.0530 C 0 0 0
- 3.1826 1.6427 0.2587 C 0 0 0
- 3.5826 -0.8079 -0.2680 C 0 0 0
- -4.4512 -0.5709 -0.1214 C 0 0 1
- -2.7206 -0.5306 1.6829 C 0 0 0
- -4.8498 0.9246 -0.1905 C 0 0 0
- 4.0747 0.4533 0.0694 C 0 0 0
- 4.4500 -1.8379 -0.3673 C 0 0 0
- -4.7315 -1.2567 -1.4601 C 0 0 0
- -5.1636 -1.2272 0.9292 O 0 0 0
- 5.2726 0.5927 0.2155 O 0 0 0
- 5.7267 -1.6837 0.0320 O 0 0 0
- -1.2209 -0.2986 0.0000 H 0 0 0
- -1.7368 1.8306 0.0000 H 0 0 0
- -0.7181 -2.5725 0.0000 H 0 0 0
- 0.3635 -1.7133 0.0000 H 0 0 0
- -2.1625 1.7726 0.0000 H 0 0 0
- -0.4928 3.3932 0.0000 H 0 0 0
- -1.5688 2.5442 0.0000 H 0 0 0
- 2.4855 0.5745 0.0000 H 0 0 0
- 1.1869 -1.5724 0.0000 H 0 0 0
- 2.4796 -2.0742 0.0000 H 0 0 0
- 0.2139 -0.1528 0.0000 H 0 0 0
- 1.4205 -1.0656 0.0000 H 0 0 0
- 2.3333 0.1410 0.0000 H 0 0 0
- -3.1098 -2.1779 0.0000 H 0 0 0
- -1.8369 -2.7275 0.0000 H 0 0 0
- -2.7429 2.4538 0.0000 H 0 0 0
- -4.1788 2.5913 0.0000 H 0 0 0
- 1.8222 3.0623 0.0000 H 0 0 0
- 0.5403 3.5532 0.0000 H 0 0 0
- 4.1287 2.1420 0.0000 H 0 0 0
- 2.8384 2.6556 0.0000 H 0 0 0
- -2.5187 -1.5812 0.0000 H 0 0 0
- -1.6700 -0.3287 0.0000 H 0 0 0
- -2.9225 0.5200 0.0000 H 0 0 0
- -5.3206 1.8852 0.0000 H 0 0 0
- -5.8517 0.5496 0.0000 H 0 0 0
- 4.0578 -2.8332 0.0000 H 0 0 0
- -5.7218 -0.8520 0.0000 H 0 0 0
- -5.1362 -2.2470 0.0000 H 0 0 0
- -3.7412 -1.6614 0.0000 H 0 0 0
- -5.9504 -1.9520 0.0000 H 0 0 0
- 6.7888 -1.5554 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 15 20 2 0
- 16 21 1 0
- 16 22 1 0
- 19 23 2 0
- 20 24 1 0
- 7 13 1 0
- 10 11 1 0
- 15 19 1 0
- 16 18 1 0
- 1 25 1 0
- 2 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 17 46 1 0
- 17 47 1 0
- 17 48 1 0
- 18 49 1 0
- 18 50 1 0
- 20 51 1 0
- 21 52 1 0
- 21 53 1 0
- 21 54 1 0
- 22 55 1 0
- 24 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-65089-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- -1.8750 0.5987 0.0976 C 0 0 0
- -2.9600 1.4621 0.0913 N 0 0 0
- -0.6341 1.0754 0.1099 N 0 0 0
- -2.0702 -0.7835 0.0968 C 0 0 0
- -4.2556 0.9555 -0.0461 C 0 0 0
- 0.4052 0.2532 0.1163 C 0 0 0
- -0.9587 -1.6068 0.1037 C 0 0 0
- -5.0095 0.6565 1.0819 C 0 0 0
- -4.7941 0.7553 -1.3106 C 0 0 0
- 0.2507 -1.0630 0.1108 N 0 0 0
- 2.0332 0.9270 0.1320 S 0 0 0
- -1.1450 -3.3328 0.1036 Cl 0 0 0
- -6.2889 0.1562 0.9426 C 0 0 0
- -4.4313 0.8774 2.4559 C 0 0 0
- -6.0746 0.2546 -1.4428 C 0 0 0
- -3.9825 1.0845 -2.5369 C 0 0 0
- 3.4688 -0.1754 0.1410 C 0 0 0
- -6.8201 -0.0473 -0.3181 C 0 0 0
- 4.7325 0.6456 0.1541 C 0 0 0
- 5.9334 0.0339 0.1625 N 0 0 0
- 4.6688 1.8567 0.1570 O 0 0 0
- 7.1619 0.8320 0.1752 C 0 0 0
- 8.3753 -0.0998 0.1828 C 0 0 0
- 8.3527 -0.9208 -0.9866 O 0 0 0
- -2.8092 2.4616 0.0000 H 0 0 0
- -3.0026 -1.1738 0.0000 H 0 0 0
- -5.9240 -0.7864 0.0000 H 0 0 0
- -4.0706 -0.0668 0.0000 H 0 0 0
- -3.4871 1.2381 0.0000 H 0 0 0
- -4.7920 1.8216 0.0000 H 0 0 0
- -6.4484 1.1937 0.0000 H 0 0 0
- -3.6026 0.1478 0.0000 H 0 0 0
- -3.0458 1.4644 0.0000 H 0 0 0
- -4.3624 2.0212 0.0000 H 0 0 0
- 2.7665 -0.9024 0.0000 H 0 0 0
- 4.1117 -0.9553 0.0000 H 0 0 0
- -7.7605 -0.4178 0.0000 H 0 0 0
- 5.9865 -0.9755 0.0000 H 0 0 0
- 7.8642 1.5590 0.0000 H 0 0 0
- 6.5190 1.6120 0.0000 H 0 0 0
- 9.3579 -0.3368 0.0000 H 0 0 0
- 8.8111 0.8122 0.0000 H 0 0 0
- 8.3249 -1.9312 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 13 18 1 0
- 17 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 7 10 1 0
- 15 18 2 0
- 2 25 1 0
- 4 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 20 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-28-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 93 92 1 V2000
- 3.8619 0.2745 0.0028 C 0 0 0
- 2.7075 1.2432 0.0132 C 0 0 0
- 5.1233 0.7336 0.0077 O 0 0 0
- 3.6521 -0.9153 -0.0050 O 0 0 0
- 1.3896 0.4660 0.0048 C 0 0 0
- 6.2356 -0.1997 -0.0024 C 0 0 0
- 0.0000 1.6319 0.0174 S 0 0 0
- 7.5534 0.5775 0.0060 C 0 0 0
- -1.3896 0.4660 0.0049 C 0 0 0
- 8.7255 -0.4059 -0.0046 C 0 0 0
- -2.7075 1.2432 0.0133 C 0 0 0
- 10.0434 0.3713 0.0038 C 0 0 0
- -3.8619 0.2745 0.0028 C 0 0 0
- 11.2154 -0.6121 -0.0068 C 0 0 0
- -5.1233 0.7336 0.0078 O 0 0 0
- -3.6521 -0.9153 -0.0100 O 0 0 0
- 12.5333 0.1651 0.0015 C 0 0 0
- -6.2356 -0.1997 -0.0023 C 0 0 0
- 13.7054 -0.8184 -0.0091 C 0 0 0
- -7.5534 0.5775 0.0061 C 0 0 0
- 15.0232 -0.0412 -0.0007 C 0 0 0
- -8.7255 -0.4059 -0.0045 C 0 0 0
- 16.1953 -1.0246 -0.0113 C 0 0 0
- -10.0434 0.3713 0.0039 C 0 0 0
- 17.5132 -0.2474 -0.0029 C 0 0 0
- -11.2154 -0.6121 -0.0067 C 0 0 0
- 18.6852 -1.2308 -0.0136 C 0 0 0
- -12.5333 0.1651 0.0017 C 0 0 0
- 20.0031 -0.4536 -0.0052 C 0 0 0
- -13.7054 -0.8184 -0.0089 C 0 0 0
- -15.0232 -0.0412 -0.0005 C 0 0 0
- -16.1953 -1.0246 -0.0111 C 0 0 0
- -17.5132 -0.2474 -0.0027 C 0 0 0
- -18.6852 -1.2308 -0.0134 C 0 0 0
- -20.0031 -0.4536 -0.0050 C 0 0 0
- 3.5397 2.0332 0.0000 H 0 0 0
- 2.0166 2.1594 0.0000 H 0 0 0
- 0.5574 -0.3241 0.0000 H 0 0 0
- 2.0805 -0.4502 0.0000 H 0 0 0
- 5.4034 -0.9897 0.0000 H 0 0 0
- 6.9265 -1.1159 0.0000 H 0 0 0
- 8.3856 1.3676 0.0000 H 0 0 0
- 6.8625 1.4937 0.0000 H 0 0 0
- -2.0805 -0.4502 0.0000 H 0 0 0
- -0.5574 -0.3241 0.0000 H 0 0 0
- 7.8933 -1.1960 0.0000 H 0 0 0
- 9.4164 -1.3221 0.0000 H 0 0 0
- -2.0166 2.1594 0.0000 H 0 0 0
- -3.5397 2.0332 0.0000 H 0 0 0
- 10.8756 1.1613 0.0000 H 0 0 0
- 9.3525 1.2875 0.0000 H 0 0 0
- 10.3832 -1.4021 0.0000 H 0 0 0
- 11.9063 -1.5283 0.0000 H 0 0 0
- 13.3655 0.9551 0.0000 H 0 0 0
- 11.8424 1.0813 0.0000 H 0 0 0
- -6.9265 -1.1159 0.0000 H 0 0 0
- -5.4034 -0.9897 0.0000 H 0 0 0
- 12.8732 -1.6084 0.0000 H 0 0 0
- 14.3963 -1.7346 0.0000 H 0 0 0
- -6.8625 1.4937 0.0000 H 0 0 0
- -8.3856 1.3676 0.0000 H 0 0 0
- 15.8554 0.7489 0.0000 H 0 0 0
- 14.3323 0.8750 0.0000 H 0 0 0
- -9.4164 -1.3221 0.0000 H 0 0 0
- -7.8933 -1.1960 0.0000 H 0 0 0
- 15.3631 -1.8147 0.0000 H 0 0 0
- 16.8862 -1.9408 0.0000 H 0 0 0
- -9.3525 1.2875 0.0000 H 0 0 0
- -10.8756 1.1613 0.0000 H 0 0 0
- 18.3454 0.5426 0.0000 H 0 0 0
- 16.8223 0.6688 0.0000 H 0 0 0
- -11.9063 -1.5283 0.0000 H 0 0 0
- -10.3832 -1.4021 0.0000 H 0 0 0
- 17.8530 -2.0208 0.0000 H 0 0 0
- 19.3761 -2.1470 0.0000 H 0 0 0
- -11.8424 1.0813 0.0000 H 0 0 0
- -13.3655 0.9551 0.0000 H 0 0 0
- 20.5860 -1.4420 0.0000 H 0 0 0
- 20.9915 0.1293 0.0000 H 0 0 0
- 19.4202 0.5348 0.0000 H 0 0 0
- -14.3963 -1.7346 0.0000 H 0 0 0
- -12.8732 -1.6084 0.0000 H 0 0 0
- -14.3323 0.8750 0.0000 H 0 0 0
- -15.8554 0.7489 0.0000 H 0 0 0
- -16.8862 -1.9408 0.0000 H 0 0 0
- -15.3631 -1.8147 0.0000 H 0 0 0
- -16.8223 0.6688 0.0000 H 0 0 0
- -18.3454 0.5426 0.0000 H 0 0 0
- -19.3761 -2.1470 0.0000 H 0 0 0
- -17.8530 -2.0208 0.0000 H 0 0 0
- -19.4202 0.5348 0.0000 H 0 0 0
- -20.9915 0.1293 0.0000 H 0 0 0
- -20.5860 -1.4420 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 15 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 30 31 1 0
- 31 32 1 0
- 32 33 1 0
- 33 34 1 0
- 34 35 1 0
- 2 36 1 0
- 2 37 1 0
- 5 38 1 0
- 5 39 1 0
- 6 40 1 0
- 6 41 1 0
- 8 42 1 0
- 8 43 1 0
- 9 44 1 0
- 9 45 1 0
- 10 46 1 0
- 10 47 1 0
- 11 48 1 0
- 11 49 1 0
- 12 50 1 0
- 12 51 1 0
- 14 52 1 0
- 14 53 1 0
- 17 54 1 0
- 17 55 1 0
- 18 56 1 0
- 18 57 1 0
- 19 58 1 0
- 19 59 1 0
- 20 60 1 0
- 20 61 1 0
- 21 62 1 0
- 21 63 1 0
- 22 64 1 0
- 22 65 1 0
- 23 66 1 0
- 23 67 1 0
- 24 68 1 0
- 24 69 1 0
- 25 70 1 0
- 25 71 1 0
- 26 72 1 0
- 26 73 1 0
- 27 74 1 0
- 27 75 1 0
- 28 76 1 0
- 28 77 1 0
- 29 78 1 0
- 29 79 1 0
- 29 80 1 0
- 30 81 1 0
- 30 82 1 0
- 31 83 1 0
- 31 84 1 0
- 32 85 1 0
- 32 86 1 0
- 33 87 1 0
- 33 88 1 0
- 34 89 1 0
- 34 90 1 0
- 35 91 1 0
- 35 92 1 0
- 35 93 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.5262 0.1155 0.1983 C 0 0 0
- -1.4254 -0.8402 -0.3012 C 0 0 0
- 0.8838 -0.2427 0.4286 C 0 0 0
- -0.9765 1.4107 0.4702 C 0 0 0
- -2.7531 -0.4894 -0.5140 C 0 0 0
- -0.9904 -2.1285 -0.5814 N 0 0 0
- 1.8601 0.3959 -0.2461 O 0 0 0
- 1.1668 -1.1139 1.2271 O 0 0 0
- -2.2949 1.7406 0.2472 C 0 0 0
- -3.1828 0.7914 -0.2352 C 0 0 0
- 3.2501 0.0429 -0.0191 C 0 0 0
- 4.1477 0.9106 -0.9035 C 0 0 0
- -0.2907 2.1607 0.0000 H 0 0 0
- -3.4478 -1.2311 0.0000 H 0 0 0
- -1.6617 -2.8915 0.0000 H 0 0 0
- 0.0060 -2.3284 0.0000 H 0 0 0
- -2.5824 2.7153 0.0000 H 0 0 0
- -4.1758 1.0074 0.0000 H 0 0 0
- 2.8235 -0.8795 0.0000 H 0 0 0
- 4.0785 -0.5457 0.0000 H 0 0 0
- 4.8540 0.1799 0.0000 H 0 0 0
- 4.8784 1.6169 0.0000 H 0 0 0
- 3.4414 1.6413 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 9 10 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-92-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.4497 -0.6759 0.0000 C 0 0 0
- -0.9041 -0.0140 0.0000 C 0 0 0
- 1.5415 0.3959 0.0000 C 0 0 0
- -2.0176 -0.7635 0.0000 O 0 0 0
- -0.9872 1.1914 0.0000 O 0 0 0
- 2.9160 -0.2761 0.0000 C 0 0 0
- -0.1583 -1.6286 0.0000 H 0 0 0
- 1.3276 -1.3877 0.0000 H 0 0 0
- 2.1495 1.3486 0.0000 H 0 0 0
- 0.6636 1.1077 0.0000 H 0 0 0
- -2.9552 -1.3946 0.0000 H 0 0 0
- 2.4196 -1.2915 0.0000 H 0 0 0
- 3.9314 -0.7725 0.0000 H 0 0 0
- 3.4124 0.7393 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88847-89-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.0797 -0.2197 0.0007 N 0 0 0
- -1.3759 0.2137 -0.1173 C 0 0 0
- 1.1256 0.5865 -0.2073 C 0 0 2
- -0.1183 -1.5400 0.3536 C 0 0 0
- -2.1844 -0.8901 0.1701 C 0 0 0
- -1.9407 1.3869 -0.4269 N 0 0 0
- 2.1940 -0.2595 -0.6856 O 0 0 0
- 1.6262 1.1242 1.1516 C 0 0 0
- -1.3605 -1.9319 0.4564 N 0 0 0
- 0.9664 -2.3230 0.5640 O 0 0 0
- -3.5878 -0.7316 0.1240 C 0 0 0
- -3.2474 1.5221 -0.4662 C 0 0 0
- 3.4120 0.4447 -0.3592 C 0 0 1
- 3.1650 1.0288 1.0494 C 0 0 1
- -4.0868 0.4827 -0.1966 N 0 0 0
- -4.3305 -1.6676 0.3679 O 0 0 0
- -3.7820 2.7451 -0.7883 N 0 0 0
- 4.5753 -0.5476 -0.3030 C 0 0 0
- 3.7297 2.3391 1.1274 O 0 0 0
- 4.7461 -1.1544 -1.5855 O 0 0 0
- 0.4763 1.3491 0.0000 H 0 0 0
- 1.9137 2.0836 0.0000 H 0 0 0
- 0.7573 1.6222 0.0000 H 0 0 0
- 1.7785 -2.9092 0.0000 H 0 0 0
- 4.2199 1.0366 0.0000 H 0 0 0
- 4.1665 1.0254 0.0000 H 0 0 0
- -5.0779 0.6271 0.0000 H 0 0 0
- -3.1878 3.5513 0.0000 H 0 0 0
- -4.7773 2.8565 0.0000 H 0 0 0
- 5.5755 -0.6002 0.0000 H 0 0 0
- 4.9462 0.3827 0.0000 H 0 0 0
- 4.1261 3.2589 0.0000 H 0 0 0
- 5.0175 -2.1185 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 1 0
- 18 20 1 0
- 5 9 1 0
- 12 15 1 0
- 13 14 1 0
- 3 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105-11-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.3674 -0.3292 0.0023 C 0 0 0
- -0.3557 -1.3940 0.0016 C 0 0 0
- -0.9511 1.0795 0.0018 C 0 0 0
- -2.6434 -0.6363 -0.0021 N 0 0 0
- 0.9511 -1.0795 0.0004 C 0 0 0
- 0.3557 1.3940 0.0006 C 0 0 0
- -3.6187 0.3903 -0.0014 O 0 0 0
- 1.3674 0.3292 -0.0001 C 0 0 0
- 2.6434 0.6363 -0.0008 N 0 0 0
- 3.6187 -0.3903 -0.0010 O 0 0 0
- -0.6567 -2.4125 0.0000 H 0 0 0
- -1.6826 1.8494 0.0000 H 0 0 0
- 1.6826 -1.8494 0.0000 H 0 0 0
- 0.6567 2.4125 0.0000 H 0 0 0
- -4.3502 1.1603 0.0000 H 0 0 0
- 4.3502 -1.1603 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 8 9 2 0
- 9 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-479-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.4667 -0.0009 -0.2688 C 0 0 0
- -0.2235 -1.2032 -0.1776 C 0 0 0
- -0.2236 1.2010 -0.1798 C 0 0 0
- 1.8524 -0.0008 -0.4439 N 0 0 0
- -1.5927 -1.1996 0.0012 C 0 0 0
- 0.5081 -2.4865 -0.2715 N 0 3 0
- -1.5933 1.1974 -0.0009 C 0 0 0
- 0.5076 2.4844 -0.2759 N 0 3 0
- 2.6995 0.0049 0.6720 N 0 3 0
- 2.4201 -0.0068 -1.7944 C 0 0 0
- -2.2770 -0.0009 0.0894 C 0 0 0
- 0.0518 -3.4006 -0.9346 O 0 0 0
- 1.5665 -2.6284 0.3145 O 0 5 0
- 0.0258 3.4148 -0.8970 O 0 0 0
- 1.5912 2.6100 0.2661 O 0 5 0
- 3.9079 0.0050 0.5194 O 0 0 0
- 2.2275 0.0099 1.7949 O 0 5 0
- -3.7448 -0.0010 0.2811 N 0 3 0
- -4.3488 1.0538 0.3590 O 0 0 0
- -4.3485 -1.0558 0.3609 O 0 5 0
- -2.0805 -2.0372 0.0000 H 0 0 0
- -2.0812 2.0349 0.0000 H 0 0 0
- 2.4099 -0.9760 0.0000 H 0 0 0
- 3.3893 -0.0170 0.0000 H 0 0 0
- 2.4303 0.9624 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 2 0
- 9 17 1 0
- 11 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 11 2 0
- 5 21 1 0
- 7 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.7723 0.6301 -0.0031 C 0 0 0
- -0.9741 -0.7732 -0.0010 C 0 0 0
- 0.5362 1.1391 -0.0029 C 0 0 0
- -1.8870 1.4871 0.0006 C 0 0 0
- 0.1373 -1.6337 0.0011 C 0 0 0
- -2.2852 -1.2796 -0.0008 C 0 0 0
- 1.6032 0.2675 -0.0007 C 0 0 0
- -3.1416 0.9600 0.0060 C 0 0 0
- 1.3946 -1.1168 0.0013 C 0 0 0
- -3.3400 -0.4196 -0.0025 C 0 0 0
- 2.9058 0.7699 -0.0004 N 0 0 0
- 4.0077 -0.1194 0.0018 O 0 0 0
- 0.7003 2.1761 0.0000 H 0 0 0
- -1.7521 2.5283 0.0000 H 0 0 0
- -0.0034 -2.6742 0.0000 H 0 0 0
- -2.4501 -2.3165 0.0000 H 0 0 0
- -3.9724 1.6020 0.0000 H 0 0 0
- 2.2207 -1.7648 0.0000 H 0 0 0
- -4.3181 -0.8012 0.0000 H 0 0 0
- 3.0684 1.8072 0.0000 H 0 0 0
- 4.8247 -0.7788 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 7 9 2 0
- 8 10 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76150-91-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 3.0782 -0.8159 -0.6106 C 0 0 0
- 2.6654 -2.1081 -0.6506 O 0 0 0
- 3.6045 -0.2974 0.5672 C 0 0 0
- 2.9809 -0.0637 -1.6938 N 0 0 0
- 1.3445 -2.1088 -0.3286 C 0 0 0
- 4.0223 1.0223 0.5945 C 0 0 0
- 3.7354 -1.2911 1.9847 Cl 0 0 0
- 3.3706 1.1971 -1.6991 C 0 0 0
- 0.6715 -3.3109 -0.1630 C 0 0 0
- 0.6711 -0.9080 -0.1599 C 0 0 0
- 3.8982 1.7802 -0.5632 C 0 0 0
- -0.6701 -3.3116 0.1640 C 0 0 0
- -0.6709 -0.9087 0.1672 C 0 0 0
- 4.4065 3.4400 -0.5841 Cl 0 0 0
- -1.3451 -2.1104 0.3271 C 0 0 0
- -2.6661 -2.1111 0.6490 O 0 0 0
- -3.0800 -0.8193 0.6101 C 0 0 0
- -3.6005 -0.2984 -0.5694 C 0 0 0
- -2.9896 -0.0698 1.6957 N 0 0 0
- -4.0197 1.0209 -0.5956 C 0 0 0
- -3.7226 -1.2887 -1.9900 Cl 0 0 0
- -3.3807 1.1906 1.7020 C 0 0 0
- -3.9027 1.7760 0.5647 C 0 0 0
- -4.4126 3.4353 0.5868 Cl 0 0 0
- 5.0104 0.9509 0.0000 H 0 0 0
- 2.5097 1.6873 0.0000 H 0 0 0
- 1.1727 -4.1655 0.0000 H 0 0 0
- 1.1716 -0.0530 0.0000 H 0 0 0
- -1.1702 -4.1668 0.0000 H 0 0 0
- -1.1718 -0.0539 0.0000 H 0 0 0
- -5.0075 0.9447 0.0000 H 0 0 0
- -2.5183 1.6782 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 23 24 1 0
- 8 11 2 0
- 13 15 2 0
- 22 23 2 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 20 31 1 0
- 22 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89021-88-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 44 1 V2000
- -1.5223 -1.5541 -0.0228 C 0 0 1
- -2.5849 -2.5566 0.3473 C 0 0 0
- -1.7785 -0.2912 0.6741 N 0 0 0
- -0.1493 -2.0922 0.3851 C 0 0 0
- -2.5525 -3.7976 -0.1775 N 0 0 0
- -3.4691 -2.2467 1.1174 O 0 0 0
- -2.5502 0.6518 0.0982 C 0 0 0
- 1.1269 -0.8881 -0.0594 S 0 0 0
- -3.5855 -4.7722 0.1823 C 0 0 0
- -2.8138 1.9509 0.8151 C 0 0 0
- -3.0325 0.4549 -0.9971 O 0 0 0
- 2.8201 -1.2301 0.2882 C 0 0 0
- -3.3219 -6.0713 -0.5346 C 0 0 0
- -3.7110 2.8380 -0.0503 C 0 0 0
- 3.7669 -0.3368 -0.0415 C 0 0 0
- 3.2642 -2.7219 1.0569 Cl 0 0 0
- -4.1458 -7.1158 -0.3556 O 0 0 0
- -2.3690 -6.1727 -1.2705 O 0 0 0
- -3.9786 4.1569 0.6775 C 0 0 1
- 3.3929 0.9178 -0.7065 C 0 0 0
- 5.4331 -0.6651 0.3184 Cl 0 0 0
- -4.8623 5.0307 -0.1749 C 0 0 0
- -4.6476 3.8834 1.9564 N 0 0 0
- 3.3825 2.0610 -0.0175 C 0 0 0
- 2.9642 0.9142 -2.3887 Cl 0 0 0
- -4.3146 5.8857 -1.0528 O 0 0 0
- -6.0638 4.9616 -0.0681 O 0 0 0
- 2.9591 3.5472 -0.8083 Cl 0 0 0
- 3.7924 2.0615 1.6695 Cl 0 0 0
- -0.7786 -0.9293 0.0000 H 0 0 0
- -0.9009 0.1252 0.0000 H 0 0 0
- -0.6324 -2.9349 0.0000 H 0 0 0
- 0.6136 -2.6935 0.0000 H 0 0 0
- -1.6556 -4.1707 0.0000 H 0 0 0
- -4.1105 -3.9549 0.0000 H 0 0 0
- -4.4856 -5.1375 0.0000 H 0 0 0
- -1.8502 1.8284 0.0000 H 0 0 0
- -2.3886 2.8243 0.0000 H 0 0 0
- -4.6746 2.9605 0.0000 H 0 0 0
- -4.1362 1.9646 0.0000 H 0 0 0
- -4.7474 -7.8785 0.0000 H 0 0 0
- -3.1241 4.6188 0.0000 H 0 0 0
- -5.4155 4.4783 0.0000 H 0 0 0
- -4.7788 2.9209 0.0000 H 0 0 0
- -3.7906 6.7036 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 2 0
- 14 19 1 0
- 15 20 1 0
- 15 21 1 0
- 19 22 1 0
- 19 23 1 0
- 20 24 2 0
- 20 25 1 0
- 22 26 1 0
- 22 27 2 0
- 24 28 1 0
- 24 29 1 0
- 1 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 14 39 1 0
- 14 40 1 0
- 17 41 1 0
- 19 42 1 0
- 23 43 1 0
- 23 44 1 0
- 26 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -0.1342 0.4298 -0.4245 C 0 0 0
- 0.7030 -0.6629 -0.2981 C 0 0 0
- 0.3651 1.7092 -0.2657 C 0 0 0
- -1.5932 0.2263 -0.7423 C 0 0 0
- 2.0460 -0.4772 -0.0116 C 0 0 0
- 1.7039 1.9014 0.0203 C 0 0 0
- -2.3849 0.0922 0.5600 C 0 0 0
- 2.5486 0.8105 0.1483 C 0 0 0
- 2.8709 -1.5511 0.1135 O 0 0 0
- -3.8439 -0.1114 0.2422 C 0 0 0
- 3.8658 0.9979 0.4296 O 0 0 0
- 2.0699 -2.7146 -0.1025 C 0 0 0
- -4.8430 -0.2722 1.3589 C 0 0 0
- -4.2124 -0.1456 -0.9073 O 0 0 0
- 0.3141 -1.6096 0.0000 H 0 0 0
- -0.2710 2.5110 0.0000 H 0 0 0
- -1.2181 1.1785 0.0000 H 0 0 0
- -2.2380 1.0210 0.0000 H 0 0 0
- 2.0879 2.8500 0.0000 H 0 0 0
- -2.7600 -0.8600 0.0000 H 0 0 0
- -1.7400 -0.7025 0.0000 H 0 0 0
- 4.8790 1.1421 0.0000 H 0 0 0
- 1.2269 -2.1343 0.0000 H 0 0 0
- 1.4896 -3.5576 0.0000 H 0 0 0
- 2.9129 -3.2949 0.0000 H 0 0 0
- -5.0056 0.7382 0.0000 H 0 0 0
- -5.8534 -0.4348 0.0000 H 0 0 0
- -4.6804 -1.2826 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117929-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.7362 -0.0704 -0.0011 C 0 0 0
- -0.7362 -0.0704 -0.0011 C 0 0 0
- 1.4388 1.2254 0.0002 C 0 0 0
- 1.3982 -1.2030 0.0031 C 0 0 0
- -1.4388 1.2254 0.0002 C 0 0 0
- -1.3982 -1.2030 -0.0018 C 0 0 0
- 2.7538 1.2434 0.0003 C 0 0 0
- 0.6560 2.4703 0.0008 C 0 0 0
- 2.8707 -1.1793 0.0031 C 0 0 0
- 0.6596 -2.4772 0.0067 C 0 0 0
- -2.7538 1.2434 0.0004 C 0 0 0
- -0.6560 2.4703 0.0009 C 0 0 0
- -2.8707 -1.1793 -0.0016 C 0 0 0
- -0.6596 -2.4772 -0.0032 C 0 0 0
- 3.5052 -0.0247 -0.0009 C 0 0 0
- -3.5052 -0.0247 -0.0008 C 0 0 0
- 4.8600 -0.0028 -0.0012 N 0 3 0
- -4.8600 -0.0028 -0.0002 N 0 3 0
- 5.4860 -1.0476 -0.0022 O 0 0 0
- 5.4518 1.0618 -0.0005 O 0 5 0
- -5.4860 -1.0476 -0.0012 O 0 0 0
- -5.4518 1.0618 0.0013 O 0 5 0
- 3.2509 2.1298 0.0000 H 0 0 0
- 1.1474 3.3598 0.0000 H 0 0 0
- 3.3951 -2.0498 0.0000 H 0 0 0
- 1.1670 -3.3577 0.0000 H 0 0 0
- -3.2509 2.1298 0.0000 H 0 0 0
- -1.1474 3.3598 0.0000 H 0 0 0
- -3.3951 -2.0498 0.0000 H 0 0 0
- -1.1670 -3.3577 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 17 20 1 0
- 18 21 2 0
- 18 22 1 0
- 8 12 2 0
- 9 15 2 0
- 10 14 2 0
- 13 16 2 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7220-81-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 1.4678 0.2459 0.3152 C 0 0 0
- 0.0942 0.3830 0.3212 C 0 0 0
- 2.5818 1.2576 0.4944 C 0 0 1
- 2.0637 -0.9978 0.1401 C 0 0 0
- -0.7115 -0.7628 0.1054 C 0 0 0
- -0.4707 1.5924 0.5604 O 0 0 0
- 3.8118 0.3394 0.7582 C 0 0 1
- 2.8877 1.9035 -0.8730 C 0 0 0
- 1.2633 -2.1334 -0.0191 C 0 0 0
- 3.4197 -0.8967 0.1409 O 0 0 0
- -2.1039 -0.5794 0.0208 C 0 0 0
- -0.1116 -2.0259 -0.0317 C 0 0 0
- -1.7158 1.8718 0.0875 C 0 0 0
- 4.8711 0.9209 -0.0315 O 0 0 0
- 4.2533 1.3068 -1.2779 C 0 0 0
- -2.6350 0.7174 0.0212 C 0 0 0
- -3.2139 -1.5765 -0.0751 C 0 0 0
- -0.8805 -3.1335 -0.1761 O 0 0 0
- -2.0478 2.9910 -0.2552 O 0 0 0
- -4.0781 0.6909 -0.0582 C 0 0 0
- -4.5169 -0.7572 -0.1248 C 0 0 0
- 0.0119 -4.2438 -0.2899 C 0 0 0
- -4.8099 1.6593 -0.0697 O 0 0 0
- 1.7447 1.8781 0.0000 H 0 0 0
- 4.6168 -0.3222 0.0000 H 0 0 0
- 3.3146 2.8541 0.0000 H 0 0 0
- 1.9415 2.3399 0.0000 H 0 0 0
- 1.7066 -3.0764 0.0000 H 0 0 0
- 5.1483 1.8404 0.0000 H 0 0 0
- 4.1879 2.3467 0.0000 H 0 0 0
- -3.8477 -2.4036 0.0000 H 0 0 0
- -2.4489 -2.2840 0.0000 H 0 0 0
- -5.4833 -0.3676 0.0000 H 0 0 0
- -4.9909 -1.6851 0.0000 H 0 0 0
- -0.8003 -4.8966 0.0000 H 0 0 0
- 0.6647 -5.0560 0.0000 H 0 0 0
- 0.8241 -3.5910 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 2 0
- 7 10 1 0
- 9 12 1 0
- 13 16 1 0
- 14 15 1 0
- 20 21 1 0
- 3 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 15 29 1 0
- 15 30 1 0
- 17 31 1 0
- 17 32 1 0
- 21 33 1 0
- 21 34 1 0
- 22 35 1 0
- 22 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-616-23-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.4390 0.4350 -0.2165 C 0 0 0
- -1.6968 1.1200 0.3215 C 0 0 0
- 0.7941 1.0121 0.4816 C 0 0 0
- -0.5363 -1.3368 0.1028 Cl 0 0 0
- -2.8485 0.5811 -0.3306 O 0 0 0
- 2.2765 0.2049 -0.1523 Cl 0 0 0
- -0.4063 1.5087 0.0000 H 0 0 0
- -0.9965 1.9345 0.0000 H 0 0 0
- -2.3461 1.9757 0.0000 H 0 0 0
- 1.4944 1.8266 0.0000 H 0 0 0
- 0.1447 1.8677 0.0000 H 0 0 0
- -3.8214 0.1258 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.0000 -1.4625 0.0000 S 0 0 0
- -1.4200 -0.4193 -0.0002 C 0 0 0
- 1.4200 -0.4193 0.0002 C 0 0 0
- -0.0002 -2.1146 1.2626 O 0 0 0
- 0.0002 -2.1146 -1.2625 O 0 0 0
- -1.9757 -0.0109 -1.1986 C 0 0 0
- -1.9796 -0.0154 1.1983 C 0 0 0
- 1.9757 -0.0109 1.1986 C 0 0 0
- 1.9796 -0.0154 -1.1983 C 0 0 0
- -3.0888 0.8068 -1.2024 C 0 0 0
- -3.0924 0.8021 1.2018 C 0 0 0
- 3.0888 0.8068 1.2024 C 0 0 0
- 3.0924 0.8021 -1.2018 C 0 0 0
- -3.6499 1.2189 -0.0006 C 0 0 0
- 3.6499 1.2189 0.0006 C 0 0 0
- -4.7753 2.0462 -0.0008 N 0 0 0
- 4.7753 2.0462 0.0008 N 0 0 0
- -1.6665 0.4099 0.0000 H 0 0 0
- -2.2870 -0.4375 0.0000 H 0 0 0
- 1.6665 0.4099 0.0000 H 0 0 0
- 2.2870 -0.4375 0.0000 H 0 0 0
- -2.7797 1.2276 0.0000 H 0 0 0
- -3.4033 0.3826 0.0000 H 0 0 0
- 2.7797 1.2276 0.0000 H 0 0 0
- 3.4033 0.3826 0.0000 H 0 0 0
- -4.7178 2.5652 0.0000 H 0 0 0
- -5.2535 1.8365 0.0000 H 0 0 0
- 5.2535 1.8365 0.0000 H 0 0 0
- 4.7178 2.5652 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 11 14 1 0
- 13 15 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-75-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.4551 -0.2888 0.2456 N 0 0 0
- 0.5306 -1.3695 0.3838 C 0 0 0
- -0.0405 1.0883 0.5461 C 0 0 0
- -1.6603 -0.5435 -0.1375 N 0 0 0
- 1.7727 -1.0120 -0.4385 C 0 0 0
- 1.2081 1.4182 -0.2779 C 0 0 0
- -2.4682 0.3612 -0.2482 O 0 0 0
- 2.2850 0.3647 -0.0090 C 0 0 0
- -0.3223 -1.9361 0.0000 H 0 0 0
- 0.9606 -2.2989 0.0000 H 0 0 0
- -0.1170 2.1094 0.0000 H 0 0 0
- -1.0584 1.1995 0.0000 H 0 0 0
- 1.8424 -2.0336 0.0000 H 0 0 0
- 2.7861 -1.1590 0.0000 H 0 0 0
- 2.0433 2.0107 0.0000 H 0 0 0
- 0.7741 2.3457 0.0000 H 0 0 0
- 3.1858 -0.1223 0.0000 H 0 0 0
- 2.8924 1.1891 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-366-18-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.7418 0.0041 -0.0023 C 0 0 0
- -0.7418 -0.0041 -0.0023 C 0 0 0
- 1.4259 1.2177 -0.0023 C 0 0 0
- 1.4059 -1.1442 0.0033 N 0 0 0
- -1.4259 -1.2177 -0.0023 C 0 0 0
- -1.4059 1.1441 0.0032 N 0 0 0
- 2.8102 1.2095 -0.0018 C 0 0 0
- 2.7226 -1.1805 0.0039 C 0 0 0
- -2.8102 -1.2095 -0.0018 C 0 0 0
- -2.7226 1.1805 0.0039 C 0 0 0
- 3.4652 -0.0137 -0.0014 C 0 0 0
- -3.4652 0.0138 -0.0013 C 0 0 0
- 0.9048 2.1157 0.0000 H 0 0 0
- -0.9048 -2.1157 0.0000 H 0 0 0
- 3.3463 2.0986 0.0000 H 0 0 0
- 3.2096 -2.0974 0.0000 H 0 0 0
- -3.3463 -2.0986 0.0000 H 0 0 0
- -3.2095 2.0975 0.0000 H 0 0 0
- 4.5027 -0.0527 0.0000 H 0 0 0
- -4.5027 0.0528 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 8 11 2 0
- 10 12 2 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105802-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.7764 0.0041 0.0038 C 0 0 0
- 0.2836 -1.3144 0.0008 C 0 0 0
- 2.2262 0.2082 0.0025 C 0 0 0
- -0.1133 1.0927 0.0021 C 0 0 0
- -1.1662 -1.5183 0.0016 C 0 0 0
- 1.1735 -2.4028 -0.0037 C 0 0 0
- 3.0737 -0.9240 -0.0015 C 0 0 0
- 2.7830 1.4903 0.0045 C 0 0 0
- -1.4535 0.9095 -0.0027 C 0 0 0
- 0.4385 2.4951 0.0063 C 0 0 0
- -2.0135 -0.3860 0.0054 C 0 0 0
- -1.7234 -2.8002 -0.0019 C 0 0 0
- 2.5138 -2.2194 -0.0058 C 0 0 0
- 4.4646 -0.7368 -0.0029 C 0 0 0
- 4.1398 1.6376 0.0027 C 0 0 0
- -2.3486 2.0886 -0.0043 N 0 3 0
- -3.4045 -0.5728 0.0060 C 0 0 0
- -3.0802 -2.9471 -0.0016 C 0 0 0
- 4.9767 0.5264 -0.0005 C 0 0 0
- -2.7132 2.5750 -1.0597 O 0 0 0
- -2.7204 2.5723 1.0499 O 0 5 0
- -3.9168 -1.8358 0.0029 C 0 0 0
- 0.7883 -3.3823 0.0000 H 0 0 0
- 2.1590 2.3379 0.0000 H 0 0 0
- 1.4180 2.1097 0.0000 H 0 0 0
- 0.8239 3.4746 0.0000 H 0 0 0
- -0.5410 2.8805 0.0000 H 0 0 0
- -1.0996 -3.6480 0.0000 H 0 0 0
- 3.1503 -3.0577 0.0000 H 0 0 0
- 5.1097 -1.5685 0.0000 H 0 0 0
- 4.5580 2.6035 0.0000 H 0 0 0
- -4.0494 0.2591 0.0000 H 0 0 0
- -3.4986 -3.9129 0.0000 H 0 0 0
- 6.0204 0.6630 0.0000 H 0 0 0
- -4.9605 -1.9722 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 16 20 2 0
- 16 21 1 0
- 17 22 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 18 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2835-68-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 2.0774 -0.0050 0.0021 C 0 0 0
- 2.7506 -1.1726 0.0030 N 0 0 0
- 2.6859 1.0477 -0.0038 O 0 0 0
- 0.6022 -0.0042 0.0021 C 0 0 0
- -0.0975 1.2059 0.0011 C 0 0 0
- -0.0990 -1.2137 -0.0028 C 0 0 0
- -1.4738 1.2034 0.0006 C 0 0 0
- -1.4749 -1.2096 -0.0033 C 0 0 0
- -2.1690 -0.0026 0.0011 C 0 0 0
- -3.5595 -0.0018 0.0006 N 0 0 0
- 2.2283 -2.0759 0.0000 H 0 0 0
- 3.7940 -1.1732 0.0000 H 0 0 0
- 0.4231 2.1102 0.0000 H 0 0 0
- 0.4206 -2.1186 0.0000 H 0 0 0
- -1.9966 2.1064 0.0000 H 0 0 0
- -1.9987 -2.1120 0.0000 H 0 0 0
- -4.0807 0.9022 0.0000 H 0 0 0
- -4.0817 -0.9052 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 8 9 1 0
- 2 11 1 0
- 2 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-24-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.3865 -0.0158 0.0908 N 0 3 0
- -0.9204 -0.5019 0.5402 C 0 0 0
- 0.6031 1.1812 0.0303 O 0 0 0
- 1.2580 -0.8088 -0.2177 O 0 5 0
- -2.0099 0.0241 -0.3964 C 0 0 0
- -1.5098 -1.1950 0.0000 H 0 0 0
- -0.3984 -1.2471 0.0000 H 0 0 0
- -1.6143 0.8435 0.0000 H 0 0 0
- -2.8293 0.4197 0.0000 H 0 0 0
- -2.4055 -0.7953 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1622-57-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.4459 0.8519 -0.0024 C 0 0 0
- -0.2636 -0.5408 -0.0009 C 0 0 0
- 0.7901 1.4170 -0.0018 N 0 0 0
- -1.7409 1.3760 0.0010 C 0 0 0
- 1.1058 -0.7500 0.0006 N 0 0 0
- -1.3650 -1.3831 -0.0015 C 0 0 0
- 1.7030 0.4778 0.0000 C 0 0 0
- -2.8231 0.5248 0.0057 C 0 0 0
- 1.7865 -2.0473 0.0024 C 0 0 0
- -2.6374 -0.8498 -0.0036 C 0 0 0
- 3.0646 0.6965 0.0006 N 0 0 0
- -1.8866 2.4026 0.0000 H 0 0 0
- -1.2327 -2.4115 0.0000 H 0 0 0
- -3.7840 0.9142 0.0000 H 0 0 0
- 0.8684 -2.5291 0.0000 H 0 0 0
- 2.2682 -2.9654 0.0000 H 0 0 0
- 2.7046 -1.5656 0.0000 H 0 0 0
- -3.4602 -1.4807 0.0000 H 0 0 0
- 3.7189 -0.1079 0.0000 H 0 0 0
- 3.4341 1.6653 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 5 7 1 0
- 8 10 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7319-59-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 47 1 V2000
- -0.7615 0.1558 -0.2907 C 0 0 0
- -1.1451 -1.1603 -0.1118 C 0 0 0
- 0.5963 0.4493 -0.2437 C 0 0 0
- -2.0145 0.9686 -0.5089 C 0 0 0
- -2.5213 -1.3799 -0.1714 C 0 0 0
- -0.2021 -2.2428 0.1216 C 0 0 0
- 1.5672 -0.6254 -0.0127 C 0 0 0
- 1.0721 1.8191 -0.4208 C 0 0 0
- -3.1768 -0.0457 -0.4336 C 0 0 0
- -2.1519 1.9423 0.5594 O 0 0 0
- -2.9716 -2.6512 -0.0029 C 0 0 0
- 1.1622 -1.9428 0.1663 C 0 0 0
- -0.7324 -3.5366 0.2896 C 0 0 0
- 2.9964 -0.2783 0.0266 C 0 0 0
- 2.3873 2.1036 -0.3770 C 0 0 0
- -2.7641 3.1137 0.3252 C 0 0 0
- -2.0833 -3.7052 0.2226 C 0 0 0
- -4.4518 -2.9278 -0.0609 C 0 0 0
- 3.3875 1.0645 -0.1531 C 0 0 0
- 3.9657 -1.2603 0.2386 C 0 0 0
- -2.9067 4.1243 1.4340 C 0 0 0
- -3.2008 3.3578 -0.7746 O 0 0 0
- 4.7507 1.3909 -0.1148 C 0 0 0
- 5.2962 -0.9087 0.2706 C 0 0 0
- 5.6805 0.4144 0.0936 C 0 0 0
- -1.1361 1.5289 0.0000 H 0 0 0
- 0.3814 2.5991 0.0000 H 0 0 0
- -3.7911 0.7958 0.0000 H 0 0 0
- -4.0685 -0.5846 0.0000 H 0 0 0
- 1.8682 -2.7090 0.0000 H 0 0 0
- -0.0994 -4.3641 0.0000 H 0 0 0
- 2.6909 3.1002 0.0000 H 0 0 0
- -2.4631 -4.6754 0.0000 H 0 0 0
- -4.6432 -1.9037 0.0000 H 0 0 0
- -5.4759 -3.1192 0.0000 H 0 0 0
- -4.2604 -3.9519 0.0000 H 0 0 0
- 3.6910 -2.2653 0.0000 H 0 0 0
- -1.8751 4.2699 0.0000 H 0 0 0
- -3.0523 5.1559 0.0000 H 0 0 0
- -3.9383 3.9787 0.0000 H 0 0 0
- 5.0461 2.3900 0.0000 H 0 0 0
- 6.0239 -1.6543 0.0000 H 0 0 0
- 6.6927 0.6612 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 14 19 2 0
- 14 20 1 0
- 16 21 1 0
- 16 22 2 0
- 19 23 1 0
- 20 24 2 0
- 23 25 2 0
- 5 9 1 0
- 7 12 2 0
- 13 17 1 0
- 15 19 1 0
- 24 25 1 0
- 4 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 12 30 1 0
- 13 31 1 0
- 15 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 20 37 1 0
- 21 38 1 0
- 21 39 1 0
- 21 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106671-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.4392 0.4150 0.0364 C 0 0 0
- -1.2380 -0.6761 -0.0510 C 0 0 0
- 1.0443 0.4110 0.0343 C 0 0 0
- -1.2284 1.5060 0.1198 N 0 0 0
- -2.5565 -0.2363 -0.0143 N 0 0 0
- -0.7875 -2.0843 -0.1656 N 0 3 0
- 1.7450 1.3954 -0.6597 C 0 0 0
- 1.7419 -0.5741 0.7312 C 0 0 0
- -2.4730 1.1282 0.0871 C 0 0 0
- -3.8212 -0.7820 -0.0579 C 0 0 0
- -0.6038 -2.5774 -1.2640 O 0 0 0
- -0.6013 -2.7477 0.8387 O 0 5 0
- 3.1251 1.3876 -0.6582 C 0 0 0
- 3.1216 -0.5732 0.7266 C 0 0 0
- -4.1800 1.6237 0.1220 S 0 0 0
- -4.9019 -0.0058 0.0051 C 0 0 0
- 3.8133 0.4041 0.0311 C 0 0 0
- 5.5492 0.3998 0.0292 Cl 0 0 0
- 1.2802 2.3031 0.0000 H 0 0 0
- 1.2737 -1.4800 0.0000 H 0 0 0
- -3.9309 -1.7958 0.0000 H 0 0 0
- 3.5987 2.2907 0.0000 H 0 0 0
- 3.5905 -1.4788 0.0000 H 0 0 0
- -5.8859 -0.2733 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 13 17 2 0
- 17 18 1 0
- 5 9 1 0
- 14 17 1 0
- 15 16 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17722-71-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.4078 -0.1619 0.5594 C 0 0 0
- -1.3989 -1.0714 0.2161 C 0 0 0
- 0.9037 -0.6017 0.7728 N 0 0 0
- -0.7185 1.1860 0.6852 C 0 0 0
- -2.6933 -0.6341 0.0055 C 0 0 0
- 1.9226 -0.0366 0.0954 C 0 0 0
- -2.0119 1.6188 0.4687 C 0 0 0
- -3.0010 0.7096 0.1368 C 0 0 0
- -3.9336 -1.7701 -0.4245 Cl 0 0 0
- 3.3449 -0.4144 0.4202 C 0 0 0
- 1.6949 0.7759 -0.7758 O 0 0 0
- -4.6271 1.2564 -0.1288 Cl 0 0 0
- 4.2994 0.3649 -0.4867 C 0 0 0
- 5.7217 -0.0129 -0.1618 C 0 0 0
- 6.7364 0.5498 -0.8365 O 0 0 0
- 5.9485 -0.8224 0.7061 O 0 0 0
- -1.1871 -2.0731 0.0000 H 0 0 0
- 0.9972 -1.6212 0.0000 H 0 0 0
- 0.0395 1.8742 0.0000 H 0 0 0
- -2.2255 2.6201 0.0000 H 0 0 0
- 2.8826 -1.3279 0.0000 H 0 0 0
- 4.1427 -1.0560 0.0000 H 0 0 0
- 4.7617 1.2784 0.0000 H 0 0 0
- 3.5016 1.0065 0.0000 H 0 0 0
- 7.6318 1.0463 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 7 8 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17948-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 0.0970 -0.0723 -0.0656 C 0 0 0
- -1.2792 -0.0655 0.0687 C 0 0 0
- 0.7488 1.1821 -0.0630 C 0 0 0
- 0.8123 -1.2397 -0.2022 N 0 0 0
- -2.0102 1.1210 0.1936 C 0 0 0
- -2.2631 -1.2028 0.1243 C 0 0 0
- 2.2141 1.2064 -0.1928 C 0 0 0
- 0.0188 2.3718 0.0633 C 0 0 0
- 2.1838 -1.2715 -0.0405 C 0 0 0
- 0.1020 -2.4793 -0.5266 C 0 0 0
- -3.3313 0.8741 0.2991 O 0 0 0
- -1.3607 2.3623 0.1934 C 0 0 0
- -3.5302 -0.5019 0.6765 C 0 0 0
- 2.9250 -0.0770 -0.0302 C 0 0 0
- 2.8146 2.2406 -0.4248 O 0 0 0
- 0.6769 3.5582 0.0584 O 0 0 0
- 2.8467 -2.4858 0.1135 C 0 0 0
- -4.7495 -1.0437 -0.0241 C 0 0 0
- 4.3105 -0.1136 0.1312 C 0 0 0
- 4.2153 -2.5075 0.2720 C 0 0 0
- -4.8814 -0.9092 -1.5193 C 0 0 0
- -5.6948 -1.6315 0.6665 C 0 0 0
- 4.9463 -1.3256 0.2848 C 0 0 0
- -2.8275 -2.0746 0.0000 H 0 0 0
- -1.4325 -1.8262 0.0000 H 0 0 0
- -0.7991 -1.9630 0.0000 H 0 0 0
- -0.4143 -3.3804 0.0000 H 0 0 0
- 1.0031 -2.9956 0.0000 H 0 0 0
- -1.9016 3.2489 0.0000 H 0 0 0
- -3.5754 -1.5395 0.0000 H 0 0 0
- 1.1807 4.4664 0.0000 H 0 0 0
- 2.3097 -3.3747 0.0000 H 0 0 0
- 4.8596 0.7679 0.0000 H 0 0 0
- 4.7137 -3.4186 0.0000 H 0 0 0
- -4.1399 -0.1820 0.0000 H 0 0 0
- -5.6086 -0.1677 0.0000 H 0 0 0
- -5.6229 -1.6364 0.0000 H 0 0 0
- -6.6107 -1.1419 0.0000 H 0 0 0
- -5.6608 -2.6695 0.0000 H 0 0 0
- 5.9842 -1.3623 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 13 18 1 0
- 14 19 1 0
- 17 20 2 0
- 18 21 1 0
- 18 22 2 0
- 19 23 2 0
- 8 12 2 0
- 9 14 2 0
- 11 13 1 0
- 20 23 1 0
- 6 24 1 0
- 6 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133831-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.2380 -0.6499 -0.2637 C 0 0 0
- -3.4333 0.0740 -0.2617 C 0 0 0
- -1.1307 -0.5335 1.1020 S 0 0 0
- -1.9274 -1.4711 -1.3512 C 0 0 0
- -4.2951 -0.0215 -1.3334 C 0 0 0
- -3.7734 0.9410 0.8887 N 0 3 0
- 0.5019 -1.5247 1.0949 S 0 0 0
- -2.8004 -1.5620 -2.4136 C 0 0 0
- -3.9785 -0.8327 -2.4104 C 0 0 0
- -4.8156 1.5714 0.8890 O 0 0 0
- -2.8872 1.0376 1.9889 O 0 5 0
- 1.9218 -0.8308 0.4367 C 0 0 0
- 1.8875 0.4175 -0.0775 C 0 0 0
- 3.4057 -1.7317 0.4302 Cl 0 0 0
- 3.1633 1.0836 -0.5245 C 0 0 0
- 0.3738 1.2548 -0.2235 Cl 0 0 0
- 4.2213 0.1728 -0.4342 F 0 0 0
- 3.0270 1.5103 -1.8499 F 0 0 0
- 3.4258 2.1862 0.2957 F 0 0 0
- -1.1499 -1.9507 0.0000 H 0 0 0
- -5.0767 0.4514 0.0000 H 0 0 0
- -3.0045 -2.4524 0.0000 H 0 0 0
- -4.6805 -1.4172 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 15 18 1 0
- 15 19 1 0
- 8 9 1 0
- 4 20 1 0
- 5 21 1 0
- 8 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53-95-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 1.0023 -0.4572 0.1499 C 0 0 0
- 2.4813 -0.4300 0.0343 C 0 0 0
- 0.5060 0.8405 0.0523 C 0 0 0
- 0.1146 -1.5219 0.3233 C 0 0 0
- 2.9094 0.8837 -0.1354 C 0 0 0
- 3.4247 -1.4590 0.0694 C 0 0 0
- 1.6843 1.7649 -0.1340 C 0 0 0
- -0.8492 1.0748 0.1307 C 0 0 0
- -1.2400 -1.2846 0.4026 C 0 0 0
- 4.2529 1.1653 -0.2668 C 0 0 0
- 4.7662 -1.1679 -0.0636 C 0 0 0
- -1.7287 0.0132 0.3081 C 0 0 0
- 5.1821 0.1410 -0.2303 C 0 0 0
- -3.1044 0.2503 0.3881 N 0 0 0
- -3.9181 -0.1617 -0.6041 C 0 0 0
- -3.6427 0.9233 1.5117 O 0 0 0
- -3.9178 0.5596 -1.9273 C 0 0 0
- -4.6507 -1.1130 -0.4322 O 0 0 0
- 0.4707 -2.4938 0.0000 H 0 0 0
- 3.1114 -2.4455 0.0000 H 0 0 0
- 2.3649 2.5448 0.0000 H 0 0 0
- 0.9718 2.5157 0.0000 H 0 0 0
- -1.2079 2.0458 0.0000 H 0 0 0
- -1.9005 -2.0816 0.0000 H 0 0 0
- 4.5723 2.1499 0.0000 H 0 0 0
- 5.4629 -1.9334 0.0000 H 0 0 0
- 6.1935 0.3614 0.0000 H 0 0 0
- -4.2893 1.7316 0.0000 H 0 0 0
- -2.8827 0.5592 0.0000 H 0 0 0
- -3.9174 1.5947 0.0000 H 0 0 0
- -4.9529 0.5600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-44-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- 0.9873 0.1796 -0.3953 C 0 0 0
- -0.2545 0.4925 0.4420 C 0 0 0
- 2.2415 0.5862 0.3809 C 0 0 0
- 1.0363 -1.3201 -0.6941 C 0 0 0
- 0.9258 0.9598 -1.7100 C 0 0 0
- -1.4447 0.1067 -0.2947 O 0 0 0
- 3.4199 0.2892 -0.4137 O 0 0 0
- 1.0977 -2.1003 0.6206 C 0 0 0
- -2.6624 0.2902 0.2497 C 0 0 0
- 4.6456 0.5645 0.0708 C 0 0 0
- 1.1467 -3.6001 0.3217 C 0 0 0
- -3.7672 -0.0679 -0.4341 N 0 0 0
- -2.7652 0.7788 1.3575 O 0 0 0
- 5.7394 0.2888 -0.6667 N 0 0 0
- 4.7655 1.0614 1.1732 O 0 0 0
- -5.0921 0.1318 0.1583 C 0 0 0
- -5.6171 1.5177 -0.2221 C 0 0 0
- -6.0517 -0.9385 -0.3658 C 0 0 0
- 0.2626 1.2755 0.0000 H 0 0 0
- -0.8226 1.2394 0.0000 H 0 0 0
- 2.7586 1.3692 0.0000 H 0 0 0
- 1.6734 1.3331 0.0000 H 0 0 0
- 0.2021 -0.8904 0.0000 H 0 0 0
- 0.2549 -1.8397 0.0000 H 0 0 0
- 1.8613 1.0335 0.0000 H 0 0 0
- 0.8521 1.8953 0.0000 H 0 0 0
- -0.0097 0.8861 0.0000 H 0 0 0
- 1.9319 -2.5300 0.0000 H 0 0 0
- 1.8791 -1.5807 0.0000 H 0 0 0
- 0.2088 -3.6307 0.0000 H 0 0 0
- 1.1773 -4.5380 0.0000 H 0 0 0
- 2.0846 -3.5695 0.0000 H 0 0 0
- -3.6904 -1.0031 0.0000 H 0 0 0
- 5.9957 -0.6139 0.0000 H 0 0 0
- 6.3930 0.9621 0.0000 H 0 0 0
- -4.7746 -0.7512 0.0000 H 0 0 0
- -4.7396 1.8501 0.0000 H 0 0 0
- -5.9495 2.3952 0.0000 H 0 0 0
- -6.4946 1.1853 0.0000 H 0 0 0
- -6.7504 -0.3121 0.0000 H 0 0 0
- -6.6781 -1.6372 0.0000 H 0 0 0
- -5.3530 -1.5649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 10 14 1 0
- 10 15 2 0
- 12 16 1 0
- 16 17 1 0
- 16 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 5 27 1 0
- 8 28 1 0
- 8 29 1 0
- 11 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 14 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-32-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -0.2508 -0.1907 0.0663 C 0 0 0
- -1.2479 0.7875 0.0325 C 0 0 0
- 1.1708 0.2031 0.1075 C 0 0 0
- -0.6036 -1.5431 0.0668 C 0 0 0
- -2.5735 0.4159 -0.0059 C 0 0 0
- 2.1312 -0.7420 0.1400 N 0 0 0
- 1.4758 1.3801 0.1121 O 0 0 0
- -1.9312 -1.9063 0.0340 C 0 0 0
- -2.9199 -0.9300 -0.0112 C 0 0 0
- -3.6307 1.4513 -0.0412 N 0 3 0
- 3.4773 -0.3746 0.0460 C 0 0 0
- -4.2273 -1.2921 -0.0491 O 0 0 0
- -3.3280 2.6311 -0.0362 O 0 0 0
- -4.8032 1.1236 -0.0752 O 0 5 0
- 4.4596 -1.3509 -0.0560 C 0 0 0
- 3.8342 0.9679 0.0487 C 0 0 0
- -4.2605 -2.7207 -0.0446 C 0 0 0
- 5.7882 -0.9846 -0.1492 C 0 0 0
- 5.1642 1.3273 -0.0447 C 0 0 0
- 6.1405 0.3524 -0.1409 C 0 0 0
- -0.9901 1.7919 0.0000 H 0 0 0
- 0.1340 -2.2720 0.0000 H 0 0 0
- 1.8692 -1.7453 0.0000 H 0 0 0
- -2.1938 -2.9095 0.0000 H 0 0 0
- 4.1964 -2.3539 0.0000 H 0 0 0
- 3.0994 1.6997 0.0000 H 0 0 0
- -5.2972 -2.6966 0.0000 H 0 0 0
- -4.2846 -3.7574 0.0000 H 0 0 0
- -3.2238 -2.7448 0.0000 H 0 0 0
- 6.5256 -1.7137 0.0000 H 0 0 0
- 5.4312 2.3293 0.0000 H 0 0 0
- 7.1415 0.6232 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 11 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 8 9 1 0
- 19 20 1 0
- 2 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42924-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- -0.9518 0.4299 -0.3061 C 0 0 0
- -1.4157 -0.8693 0.0208 C 0 0 0
- 0.4178 0.6321 -0.5444 C 0 0 0
- -1.8708 1.4905 -0.3914 C 0 0 0
- -2.7849 -1.0731 0.2589 C 0 0 0
- -0.4964 -1.9294 0.0999 C 0 0 0
- 1.2791 -0.4186 -0.4587 C 0 0 0
- -3.1907 1.2595 -0.1602 C 0 0 0
- -3.6492 -0.0193 0.1725 C 0 0 0
- 0.8234 -1.6955 -0.1375 C 0 0 0
- 2.7475 -0.1975 -0.7156 C 0 0 0
- -4.9736 -0.2177 0.4031 O 0 0 0
- 3.4472 0.1577 0.5978 C 0 0 0
- -5.6152 1.0490 0.2421 C 0 0 0
- 4.9156 0.3789 0.3409 C 0 0 0
- 5.8332 0.7431 1.4795 C 0 0 0
- 5.3569 0.2642 -0.7773 O 0 0 0
- 0.7857 1.5841 0.0000 H 0 0 0
- -1.5287 2.4520 0.0000 H 0 0 0
- -3.1521 -2.0253 0.0000 H 0 0 0
- -0.8372 -2.8914 0.0000 H 0 0 0
- -3.8481 2.0401 0.0000 H 0 0 0
- 1.4822 -2.4750 0.0000 H 0 0 0
- 2.4779 -1.1818 0.0000 H 0 0 0
- 3.5384 -0.8426 0.0000 H 0 0 0
- 3.7168 1.1420 0.0000 H 0 0 0
- 2.6563 0.8027 0.0000 H 0 0 0
- -4.7048 1.5101 0.0000 H 0 0 0
- -6.0763 1.9594 0.0000 H 0 0 0
- -6.5256 0.5879 0.0000 H 0 0 0
- 6.2097 -0.2055 0.0000 H 0 0 0
- 6.7818 1.1196 0.0000 H 0 0 0
- 5.4567 1.6917 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 7 10 2 0
- 8 9 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.5919 -0.3431 0.0032 C 0 0 0
- 0.1323 -1.5273 0.0012 C 0 0 0
- 0.0728 0.8741 0.0031 C 0 0 0
- -1.9509 -0.3764 -0.0006 O 0 0 0
- 1.5144 -1.4915 -0.0007 C 0 0 0
- -0.6970 -3.0524 0.0018 Cl 0 0 0
- 1.4549 0.9060 0.0012 C 0 0 0
- -2.3973 0.9810 0.0026 C 0 0 0
- 2.1757 -0.2766 -0.0007 C 0 0 0
- 2.2875 2.4293 0.0012 Cl 0 0 0
- -3.9040 1.0143 -0.0014 C 0 0 0
- 3.9112 -0.2341 -0.0031 Cl 0 0 0
- -4.5493 2.1913 0.0007 O 0 0 0
- -4.5311 -0.0185 -0.0064 O 0 0 0
- -0.4679 1.7619 0.0000 H 0 0 0
- 2.0569 -2.3781 0.0000 H 0 0 0
- -1.3795 1.1920 0.0000 H 0 0 0
- -2.4919 2.0161 0.0000 H 0 0 0
- -5.0490 3.1027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 2 0
- 7 9 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116374-67-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- -0.9958 -0.4607 -0.2941 C 0 0 0
- -2.3053 0.0393 0.1437 C 0 0 0
- 0.0611 0.5194 -0.5783 C 0 0 0
- -0.7887 -1.8222 -0.4215 C 0 0 0
- -3.3567 -0.9519 0.4256 C 0 0 0
- -2.5258 1.3272 0.2780 N 0 0 0
- -0.2995 1.9371 -0.3937 C 0 0 0
- 1.2908 0.1438 -0.9843 N 0 0 0
- -1.8222 -2.7303 -0.1345 C 0 0 0
- 0.5321 -2.3269 -0.8631 N 0 3 0
- -3.0532 -2.3229 0.2615 C 0 0 0
- -4.5919 -0.5576 0.8351 N 0 0 0
- -1.6093 2.2671 0.0366 C 0 0 0
- 0.6313 2.9401 -0.6367 C 0 0 0
- 2.1229 0.0479 0.2225 C 0 0 0
- 1.2411 -2.9396 -0.0850 O 0 0 0
- 0.9704 -2.0971 -2.1898 O 0 5 0
- -5.5460 -1.0493 -0.1678 C 0 0 0
- -4.8758 -1.2842 2.0798 C 0 0 0
- -1.9433 3.6251 0.2103 C 0 0 0
- 0.2747 4.2735 -0.4574 C 0 0 0
- 3.5743 -0.2225 -0.1789 C 0 0 0
- -0.9998 4.6062 -0.0372 C 0 0 0
- 4.4409 -0.3224 1.0780 C 0 0 0
- 5.8345 -0.5819 0.6926 N 0 0 0
- 6.3060 0.6146 -0.0172 C 0 0 0
- 6.6084 -0.6661 1.9384 C 0 0 0
- 1.0840 -0.8479 0.0000 H 0 0 0
- -1.6203 -3.7230 0.0000 H 0 0 0
- -3.8050 -3.0019 0.0000 H 0 0 0
- 1.6145 2.6960 0.0000 H 0 0 0
- 2.7635 0.8327 0.0000 H 0 0 0
- 1.7418 0.9865 0.0000 H 0 0 0
- -6.0101 -0.1488 0.0000 H 0 0 0
- -6.4465 -1.5134 0.0000 H 0 0 0
- -5.0819 -1.9498 0.0000 H 0 0 0
- -5.8194 -0.9155 0.0000 H 0 0 0
- -5.2445 -2.2278 0.0000 H 0 0 0
- -3.9322 -1.6529 0.0000 H 0 0 0
- -2.9217 3.8878 0.0000 H 0 0 0
- 0.9889 4.9920 0.0000 H 0 0 0
- 2.9336 -1.0072 0.0000 H 0 0 0
- 3.9554 -1.1611 0.0000 H 0 0 0
- -1.2747 5.5812 0.0000 H 0 0 0
- 5.0815 0.4624 0.0000 H 0 0 0
- 4.0598 0.6162 0.0000 H 0 0 0
- 7.2485 0.2432 0.0000 H 0 0 0
- 6.6774 1.5571 0.0000 H 0 0 0
- 5.3635 0.9860 0.0000 H 0 0 0
- 6.4988 -1.6732 0.0000 H 0 0 0
- 7.6155 -0.7757 0.0000 H 0 0 0
- 6.7180 0.3410 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 12 18 1 0
- 12 19 1 0
- 13 20 1 0
- 14 21 2 0
- 15 22 1 0
- 20 23 2 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 1 0
- 7 13 2 0
- 9 11 1 0
- 21 23 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 24 45 1 0
- 24 46 1 0
- 26 47 1 0
- 26 48 1 0
- 26 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-71-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -0.0004 0.0043 0.4956 N 0 0 0
- -1.2962 0.4218 1.0474 C 0 0 0
- 1.0085 0.9164 1.0509 C 0 0 0
- 0.2845 -1.3268 1.0479 C 0 0 0
- -2.2248 0.8421 -0.0936 C 0 0 0
- 1.8441 1.5062 -0.0870 C 0 0 0
- 0.3800 -2.3423 -0.0925 C 0 0 0
- -2.5873 -0.3077 -0.8608 O 0 0 0
- 1.0305 2.3803 -0.8719 O 0 0 0
- 1.5600 -2.0894 -0.8579 O 0 0 0
- -2.0105 -0.1325 0.0000 H 0 0 0
- -1.1395 -0.4687 0.0000 H 0 0 0
- 0.8902 1.8128 0.0000 H 0 0 0
- 0.1598 1.2284 0.0000 H 0 0 0
- 1.1205 -1.6712 0.0000 H 0 0 0
- 0.9787 -0.7475 0.0000 H 0 0 0
- -1.8851 1.6801 0.0000 H 0 0 0
- -3.0756 1.1481 0.0000 H 0 0 0
- 2.3982 0.7917 0.0000 H 0 0 0
- 2.5330 2.0919 0.0000 H 0 0 0
- -0.5162 -2.4621 0.0000 H 0 0 0
- 0.5348 -3.2331 0.0000 H 0 0 0
- -2.8592 -1.1701 0.0000 H 0 0 0
- 0.4145 3.0422 0.0000 H 0 0 0
- 2.4441 -1.8999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14088-71-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.0027 -1.4615 -0.1771 C 0 0 0
- -1.2206 -0.5765 -0.1089 C 0 0 0
- 1.2401 -0.6111 -0.1194 C 0 0 0
- -0.0114 -2.4329 1.0049 C 0 0 0
- -0.0183 -2.1998 -1.4005 O 0 0 0
- -2.1513 -0.6022 -1.1305 C 0 0 0
- -1.4093 0.2567 0.9782 C 0 0 0
- 1.7697 -0.2439 1.1033 C 0 0 0
- 1.8533 -0.2033 -1.2896 C 0 0 0
- -0.9985 -3.5678 0.7251 C 0 0 0
- 0.5034 -3.7987 0.5463 C 0 0 0
- -3.2688 0.2091 -1.0683 C 0 0 0
- -2.5261 1.0682 1.0415 C 0 0 0
- 2.9100 0.5358 1.1569 C 0 0 0
- 2.9933 0.5761 -1.2373 C 0 0 0
- -3.4556 1.0467 0.0166 C 0 0 0
- 3.5210 0.9485 -0.0135 C 0 0 0
- -4.8588 2.0658 0.0954 Cl 0 0 0
- 4.9529 1.9276 0.0529 Cl 0 0 0
- 1.0080 -2.2519 0.0000 H 0 0 0
- -0.0402 -3.2349 0.0000 H 0 0 0
- -2.4574 -1.5913 0.0000 H 0 0 0
- -0.5447 0.8263 0.0000 H 0 0 0
- 1.1825 0.6089 0.0000 H 0 0 0
- 2.4322 -1.0617 0.0000 H 0 0 0
- -1.8928 -3.0461 0.0000 H 0 0 0
- -1.3441 -4.5438 0.0000 H 0 0 0
- 0.5225 -4.8339 0.0000 H 0 0 0
- 1.5202 -3.6037 0.0000 H 0 0 0
- -4.1342 -0.3593 0.0000 H 0 0 0
- -2.2175 2.0565 0.0000 H 0 0 0
- 2.3280 1.3921 0.0000 H 0 0 0
- 3.5840 -0.2742 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 2 0
- 12 16 2 0
- 14 17 2 0
- 16 18 1 0
- 17 19 1 0
- 10 11 1 0
- 13 16 1 0
- 15 17 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20265-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -3.0907 1.7886 0.0134 C 0 0 0
- -3.8906 0.7923 0.5588 C 0 0 0
- -1.8678 1.4594 -0.5565 C 0 0 0
- -3.5184 3.1188 0.0330 N 0 0 0
- -3.4681 -0.5220 0.5329 C 0 0 0
- -1.4501 0.1429 -0.5796 C 0 0 0
- -2.2489 -0.8473 -0.0357 C 0 0 0
- -1.7205 -2.5006 -0.0660 Cl 0 0 0
- 8.5371 0.3148 0.0755 Cl 0 0 0
- -4.8708 0.9734 0.0000 H 0 0 0
- -1.1787 2.1797 0.0000 H 0 0 0
- -2.8491 3.8575 0.0000 H 0 0 0
- -4.4928 3.3290 0.0000 H 0 0 0
- -4.1550 -1.2444 0.0000 H 0 0 0
- -0.4704 -0.0412 0.0000 H 0 0 0
- 9.5339 0.3148 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17135-78-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.3804 0.4123 -0.0061 C 0 0 0
- -0.1595 -1.0376 -0.0025 C 0 0 0
- 0.7049 1.2872 -0.0058 C 0 0 0
- -1.7058 0.8963 -0.0039 C 0 0 0
- 1.1370 -1.5493 0.0012 C 0 0 0
- -1.2806 -1.8949 -0.0024 C 0 0 0
- 2.0009 0.7753 -0.0021 C 0 0 0
- -2.7409 0.0159 0.0015 C 0 0 0
- 2.2218 -0.6746 0.0014 C 0 0 0
- -2.5300 -1.3641 -0.0056 C 0 0 0
- 3.1227 1.6322 -0.0013 C 0 0 0
- -4.3674 0.6229 0.0047 Cl 0 0 0
- 3.5479 -1.1586 0.0046 C 0 0 0
- 4.3716 1.1004 0.0028 C 0 0 0
- 4.5818 -0.2791 0.0044 C 0 0 0
- 0.5473 2.3218 0.0000 H 0 0 0
- -1.8904 1.9265 0.0000 H 0 0 0
- 1.2948 -2.5839 0.0000 H 0 0 0
- -1.1495 -2.9332 0.0000 H 0 0 0
- -3.3566 -2.0061 0.0000 H 0 0 0
- 2.9923 2.6706 0.0000 H 0 0 0
- 3.7327 -2.1887 0.0000 H 0 0 0
- 5.1986 1.7418 0.0000 H 0 0 0
- 5.5623 -0.6452 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 10 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1503-91-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.9934 -0.4164 0.2713 N 0 0 0
- 0.6047 -0.2677 0.1782 C 0 0 0
- 2.8080 0.4507 -0.3620 C 0 0 0
- 2.5424 -1.4743 1.0358 O 0 0 0
- -0.1556 -1.2290 -0.4752 C 0 0 0
- -0.0158 0.8382 0.7436 C 0 0 0
- 3.1395 0.2469 -1.8179 C 0 0 0
- 3.2742 1.3949 0.2397 O 0 0 0
- -1.5254 -1.0799 -0.5657 C 0 0 0
- -1.3863 0.9826 0.6502 C 0 0 0
- -2.1408 0.0264 -0.0061 C 0 0 0
- -3.8630 0.2111 -0.1223 Cl 0 0 0
- 2.9728 -2.3036 0.0000 H 0 0 0
- 0.2053 -2.0908 0.0000 H 0 0 0
- 0.4980 1.6186 0.0000 H 0 0 0
- 2.6502 -0.5491 0.0000 H 0 0 0
- 3.9355 -0.2424 0.0000 H 0 0 0
- 3.6288 1.0429 0.0000 H 0 0 0
- -2.0420 -1.8585 0.0000 H 0 0 0
- -1.7492 1.8436 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 5 9 2 0
- 6 10 1 0
- 9 11 1 0
- 11 12 1 0
- 10 11 2 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126572-80-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.0047 0.2800 -0.0099 C 0 0 0
- -1.2988 -0.0831 0.0430 C 0 0 0
- 0.3564 1.7018 -0.1472 C 0 0 0
- 1.0758 -0.7669 0.0776 C 0 0 0
- -1.6655 -1.5141 0.0316 C 0 0 0
- -2.5380 1.1298 0.1247 Cl 0 0 0
- 1.6531 2.0656 -0.2002 O 0 0 0
- -0.5144 2.5461 -0.2126 O 0 0 0
- 2.0792 -0.7214 -1.4197 Cl 0 0 0
- 2.1189 -0.4357 1.5104 Cl 0 0 0
- -1.9761 -2.1207 -1.1308 O 0 0 0
- -1.6871 -2.1437 1.0697 O 0 0 0
- 0.7187 -1.7096 0.0000 H 0 0 0
- 2.6237 2.3379 0.0000 H 0 0 0
- -2.4355 -3.0180 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 4 13 1 0
- 7 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.0001 -0.1448 -0.0019 C 0 0 0
- -1.1985 0.5479 -0.0008 C 0 0 0
- 1.1987 0.5479 -0.0008 C 0 0 0
- -0.0003 -1.8808 0.0026 Cl 0 0 0
- -1.1971 1.9315 0.0014 C 0 0 0
- -2.7026 -0.3190 -0.0015 Cl 0 0 0
- 1.1977 1.9310 0.0014 C 0 0 0
- 2.7026 -0.3193 -0.0016 Cl 0 0 0
- 0.0001 2.6219 0.0025 C 0 0 0
- -2.0958 2.4513 0.0000 H 0 0 0
- 2.0965 2.4505 0.0000 H 0 0 0
- 0.0002 3.6600 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-34-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 60 1 V2000
- -2.7572 1.3738 -0.7443 C 0 0 0
- -3.3651 2.7538 -0.7563 C 0 0 0
- -1.5735 1.3892 0.1898 C 0 0 0
- -3.7760 0.3805 -0.2479 C 0 0 0
- -3.1469 3.6169 0.3029 C 0 0 0
- -4.1374 3.1431 -1.8343 C 0 0 0
- -1.4799 2.3572 1.1746 C 0 0 0
- -0.5881 0.4312 0.0485 C 0 0 0
- -3.6586 -0.9179 -0.5676 O 0 0 0
- -4.6984 0.7528 0.4380 O 0 0 0
- -2.4296 3.2844 1.3905 O 0 0 0
- -3.7057 4.8961 0.2533 C 0 0 0
- -4.6932 4.4078 -1.8716 C 0 0 0
- -0.3601 2.3609 2.0086 C 0 0 0
- 0.5128 0.4366 0.8845 C 0 0 0
- -4.8477 -1.7306 -0.7516 C 0 0 0
- -4.4709 5.2839 -0.8247 C 0 0 0
- 0.6245 1.4078 1.8622 C 0 0 0
- -4.4427 -3.1967 -0.9174 C 0 0 0
- -3.6404 -3.6169 0.2392 N 0 3 0
- -3.2749 -5.0322 0.0933 C 0 0 0
- -2.4209 -2.8011 0.3116 C 0 0 0
- -4.4232 -3.4377 1.4692 C 0 0 0
- -4.5336 -5.8966 0.1894 C 0 0 0
- -2.6097 -5.2495 -1.2673 C 0 0 0
- -1.3899 -3.5027 1.1980 C 0 0 0
- -1.8451 -2.6188 -1.0942 C 0 0 0
- 12.2236 -0.1066 -0.2458 Br 0 0 0
- -2.4173 0.5536 0.0000 H 0 0 0
- -4.7816 2.5321 0.0000 H 0 0 0
- -0.9201 -0.3923 0.0000 H 0 0 0
- -3.0602 5.5057 0.0000 H 0 0 0
- -5.5780 4.3344 0.0000 H 0 0 0
- -0.0284 3.1844 0.0000 H 0 0 0
- 1.1053 -0.2247 0.0000 H 0 0 0
- -5.2652 -0.9470 0.0000 H 0 0 0
- -5.6724 -2.0595 0.0000 H 0 0 0
- -4.8383 6.0922 0.0000 H 0 0 0
- 1.4605 1.7069 0.0000 H 0 0 0
- -5.3304 -3.2134 0.0000 H 0 0 0
- -4.6467 -4.0608 0.0000 H 0 0 0
- -3.1484 -5.9110 0.0000 H 0 0 0
- -2.8056 -2.0009 0.0000 H 0 0 0
- -4.2251 -2.5722 0.0000 H 0 0 0
- -5.2887 -3.2396 0.0000 H 0 0 0
- -4.6213 -4.3032 0.0000 H 0 0 0
- -5.0362 -5.1647 0.0000 H 0 0 0
- -5.2655 -6.3992 0.0000 H 0 0 0
- -4.0310 -6.6285 0.0000 H 0 0 0
- -2.8854 -6.0935 0.0000 H 0 0 0
- -1.7657 -5.5252 0.0000 H 0 0 0
- -2.3340 -4.4055 0.0000 H 0 0 0
- -1.8894 -4.2367 0.0000 H 0 0 0
- -0.6559 -4.0022 0.0000 H 0 0 0
- -0.8904 -2.7687 0.0000 H 0 0 0
- -1.5771 -3.4652 0.0000 H 0 0 0
- -0.9987 -2.3508 0.0000 H 0 0 0
- -2.1131 -1.7724 0.0000 H 0 0 0
- 13.1115 -0.1066 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 12 17 2 0
- 14 18 1 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 22 26 1 0
- 22 27 1 0
- 7 11 1 0
- 13 17 1 0
- 15 18 2 0
- 1 29 1 0
- 6 30 1 0
- 8 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 21 42 1 0
- 22 43 1 0
- 23 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 26 55 1 0
- 27 56 1 0
- 27 57 1 0
- 27 58 1 0
- 28 59 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83463-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.6118 -0.0407 0.5895 C 0 0 0
- 1.2698 -1.2775 0.1377 C 0 0 0
- 1.4835 1.3854 -0.0868 Cl 0 0 0
- -1.2527 -0.0251 -0.0338 Br 0 0 0
- 1.7777 -2.2320 -0.2109 N 0 0 0
- 0.0525 0.9666 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 3 0
- 1 6 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-954-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.3784 -1.1853 0.0277 C 0 0 0
- -1.5661 -0.3273 -0.0034 C 0 0 0
- 0.8979 -0.5781 0.0208 C 0 0 0
- -0.4824 -2.5769 0.0694 C 0 0 0
- -1.3900 1.0746 -0.0391 C 0 0 0
- -2.8555 -0.8627 0.0019 C 0 0 0
- 1.0072 0.8312 -0.0150 C 0 0 0
- 2.0410 -1.3896 0.0504 C 0 0 0
- 0.6502 -3.3397 0.0974 C 0 0 0
- -0.0857 1.6207 -0.0446 C 0 0 0
- -2.5195 1.9048 -0.0690 C 0 0 0
- -3.9355 -0.0272 -0.0274 C 0 0 0
- 2.3503 1.4534 -0.0219 N 0 3 0
- 1.9071 -2.7466 0.0852 C 0 0 0
- -3.7664 1.3520 -0.0634 C 0 0 0
- 2.6009 2.3698 0.7404 O 0 0 0
- 3.2049 1.0490 -0.7897 O 0 5 0
- -1.4240 -3.0338 0.0000 H 0 0 0
- -2.9937 -1.9001 0.0000 H 0 0 0
- 2.9934 -0.9556 0.0000 H 0 0 0
- 0.5708 -4.3833 0.0000 H 0 0 0
- 0.0339 2.6605 0.0000 H 0 0 0
- -2.4064 2.9453 0.0000 H 0 0 0
- -4.9014 -0.4301 0.0000 H 0 0 0
- 2.7625 -3.3497 0.0000 H 0 0 0
- -4.6073 1.9751 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 13 17 1 0
- 7 10 1 0
- 9 14 1 0
- 12 15 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26306-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.3752 -0.0056 0.8648 C 0 0 0
- -0.8047 -0.0108 1.5401 O 0 0 0
- 0.9774 1.1984 0.5270 C 0 0 0
- 0.9826 -1.2045 0.5171 C 0 0 0
- -1.7924 -0.0059 0.6055 C 0 0 0
- 2.1777 1.2012 -0.1594 C 0 0 0
- 0.2239 2.6997 0.9654 Cl 0 0 0
- 2.1826 -1.1966 -0.1691 C 0 0 0
- 0.2361 -2.7125 0.9441 Cl 0 0 0
- -3.1217 -0.0096 1.0018 C 0 0 0
- -1.4700 0.0085 -0.7440 C 0 0 0
- 2.7784 0.0051 -0.5094 C 0 0 0
- -4.1255 -0.0042 0.0531 C 0 0 0
- -2.4724 0.0140 -1.6935 C 0 0 0
- 4.2852 0.0119 -1.3717 Cl 0 0 0
- -3.8036 0.0049 -1.2976 C 0 0 0
- -4.8200 0.0100 -2.2593 N 0 0 0
- 2.6748 2.0092 0.0000 H 0 0 0
- 2.6853 -2.0010 0.0000 H 0 0 0
- -3.1229 -0.9582 0.0000 H 0 0 0
- -0.5216 0.0271 0.0000 H 0 0 0
- -5.0740 -0.0151 0.0000 H 0 0 0
- -2.4730 0.9626 0.0000 H 0 0 0
- -5.2902 0.8339 0.0000 H 0 0 0
- -5.2984 -0.8091 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 16 17 1 0
- 8 12 1 0
- 14 16 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 17 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-46-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.3828 0.0001 0.0032 C 0 0 0
- -0.6909 -1.1983 0.0025 C 0 0 0
- -0.6911 1.1981 0.0025 C 0 0 0
- -3.1188 0.0001 -0.0022 Cl 0 0 0
- 0.6909 -1.1983 0.0010 C 0 0 0
- 0.6911 1.1981 0.0011 C 0 0 0
- 1.3828 0.0001 0.0004 C 0 0 0
- 3.1188 0.0001 -0.0015 Cl 0 0 0
- -1.2097 -2.0970 0.0000 H 0 0 0
- -1.2099 2.0968 0.0000 H 0 0 0
- 1.2097 -2.0970 0.0000 H 0 0 0
- 1.2099 2.0968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-67-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.5115 -0.6057 0.0239 C 0 0 0
- -0.7604 0.1226 -0.0056 C 0 0 0
- 1.7168 0.1322 0.0021 C 0 0 0
- 0.5547 -2.0001 0.0668 C 0 0 0
- -0.7328 1.5345 -0.0547 C 0 0 0
- -1.9861 -0.5454 0.0132 C 0 0 0
- 2.9387 -0.5541 0.0300 C 0 0 0
- 1.6769 1.5452 -0.0468 C 0 0 0
- 1.7616 -2.6396 0.0928 C 0 0 0
- 0.5071 2.2148 -0.0748 C 0 0 0
- -1.9435 2.2412 -0.0833 C 0 0 0
- -3.1482 0.1716 -0.0160 C 0 0 0
- 2.9487 -1.9176 0.0775 C 0 0 0
- 4.2136 0.1978 0.0074 N 0 3 0
- -3.1254 1.5604 -0.0635 C 0 0 0
- -4.4468 -0.5386 0.0035 N 0 3 0
- 5.1049 -0.1374 -0.7520 O 0 0 0
- 4.3713 1.1516 0.7483 O 0 5 0
- -5.4873 0.0940 -0.0223 O 0 0 0
- -4.4748 -1.7556 0.0454 O 0 5 0
- -0.3315 -2.5523 0.0000 H 0 0 0
- -2.0142 -1.5892 0.0000 H 0 0 0
- 2.5727 2.0817 0.0000 H 0 0 0
- 1.7925 -3.6833 0.0000 H 0 0 0
- 0.5165 3.2589 0.0000 H 0 0 0
- -1.9405 3.2854 0.0000 H 0 0 0
- 3.8608 -2.4260 0.0000 H 0 0 0
- -4.0251 2.0903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-394-68-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.5500 0.9682 -0.0026 C 0 0 0
- -0.0425 -0.3546 -0.0016 C 0 0 0
- 0.3412 2.0537 -0.0017 C 0 0 0
- -1.9436 1.1643 0.0013 C 0 0 0
- 1.3518 -0.5524 0.0003 C 0 0 0
- -0.8862 -1.3908 -0.0021 N 0 0 0
- 1.6831 1.8238 0.0002 C 0 0 0
- -2.7496 0.0613 0.0060 C 0 0 0
- 2.1865 0.5248 0.0013 C 0 0 0
- 1.8596 -1.8044 0.0017 F 0 0 0
- -2.1850 -1.2121 -0.0035 C 0 0 0
- -0.0202 3.0232 0.0000 H 0 0 0
- -2.3465 2.1173 0.0000 H 0 0 0
- 2.3380 2.6248 0.0000 H 0 0 0
- -3.7783 0.1717 0.0000 H 0 0 0
- 3.2103 0.3755 0.0000 H 0 0 0
- -2.8071 -2.0388 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4465-94-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- -3.8933 1.0876 0.0834 N 0 0 0
- -4.6853 -0.3451 0.4743 P 0 0 0
- -3.1881 0.8482 -1.1828 C 0 0 0
- -4.9362 2.0838 -0.1960 C 0 0 0
- -3.5493 -1.5408 0.8091 N 0 0 0
- -5.6136 -0.1093 1.7684 O 0 0 0
- -5.5275 -0.7702 -0.6661 O 0 0 0
- -1.6780 0.8759 -0.9386 C 0 0 0
- -4.8916 3.1812 0.8692 C 0 0 0
- -4.3024 -2.7577 1.1407 C 0 0 0
- -0.8124 0.5821 -2.4927 Cl 0 0 0
- -6.1715 4.4039 0.5262 Cl 0 0 0
- -3.9388 -3.8676 0.1524 C 0 0 0
- -4.7233 -5.1350 0.4978 C 0 0 0
- -4.3837 -6.1717 -0.4252 O 0 0 0
- 12.2633 1.2607 0.8780 C 0 0 0
- 11.4956 0.0682 0.3040 C 0 0 0
- 13.5012 1.5309 0.0204 C 0 0 0
- 12.3974 -1.1678 0.3064 C 0 0 0
- 10.3071 -0.1912 1.1274 N 0 0 0
- 14.4030 0.2949 0.0228 C 0 0 0
- 13.6353 -0.8976 -0.5512 C 0 0 0
- -3.9019 0.0596 0.0000 H 0 0 0
- -2.7478 -0.1201 0.0000 H 0 0 0
- -5.9581 2.3790 0.0000 H 0 0 0
- -5.4665 1.1617 0.0000 H 0 0 0
- -2.4912 -1.4316 0.0000 H 0 0 0
- -6.6445 0.1526 0.0000 H 0 0 0
- -0.9642 1.6645 0.0000 H 0 0 0
- -2.1183 1.8442 0.0000 H 0 0 0
- -3.8697 2.8860 0.0000 H 0 0 0
- -4.3613 4.1033 0.0000 H 0 0 0
- -5.0529 -2.0040 0.0000 H 0 0 0
- -5.2093 -3.3136 0.0000 H 0 0 0
- -3.1883 -4.6214 0.0000 H 0 0 0
- -3.0319 -3.3117 0.0000 H 0 0 0
- -5.4738 -4.3812 0.0000 H 0 0 0
- -5.6302 -5.6909 0.0000 H 0 0 0
- -4.0526 -7.1825 0.0000 H 0 0 0
- 12.3137 2.3232 0.0000 H 0 0 0
- 11.2502 1.5849 0.0000 H 0 0 0
- 10.8890 0.9420 0.0000 H 0 0 0
- 14.4388 2.0332 0.0000 H 0 0 0
- 13.1331 2.5289 0.0000 H 0 0 0
- 11.4598 -1.6701 0.0000 H 0 0 0
- 12.7655 -2.1658 0.0000 H 0 0 0
- 9.5911 0.5954 0.0000 H 0 0 0
- 9.9839 -1.2046 0.0000 H 0 0 0
- 15.2201 -0.3861 0.0000 H 0 0 0
- 15.1790 1.0224 0.0000 H 0 0 0
- 13.5849 -1.9601 0.0000 H 0 0 0
- 14.6484 -1.2218 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 16 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 21 22 1 0
- 3 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 10 34 1 0
- 13 35 1 0
- 13 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1135-24-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 0.0796 0.0380 -0.0041 C 0 0 0
- -0.9923 -0.8624 -0.0027 C 0 0 0
- -0.1688 1.4155 -0.0028 C 0 0 0
- 1.4616 -0.4617 -0.0009 C 0 0 0
- -2.2886 -0.3868 0.0000 C 0 0 0
- -1.4651 1.8810 -0.0001 C 0 0 0
- 2.4946 0.4090 -0.0023 C 0 0 0
- -2.5278 0.9871 0.0013 C 0 0 0
- -3.3325 -1.2584 0.0009 O 0 0 0
- 3.8280 -0.0731 0.0009 C 0 0 0
- -3.8038 1.4522 0.0040 O 0 0 0
- -2.7727 -2.5732 -0.0014 C 0 0 0
- 4.8597 0.7965 -0.0005 O 0 0 0
- 4.0418 -1.2706 0.0048 O 0 0 0
- -0.8130 -1.8854 0.0000 H 0 0 0
- 0.6240 2.0863 0.0000 H 0 0 0
- 1.6442 -1.4841 0.0000 H 0 0 0
- -1.6483 2.9033 0.0000 H 0 0 0
- 2.3120 1.4314 0.0000 H 0 0 0
- -4.7795 1.8079 0.0000 H 0 0 0
- -3.7282 -2.9800 0.0000 H 0 0 0
- -2.3659 -3.5287 0.0000 H 0 0 0
- -1.8172 -2.1664 0.0000 H 0 0 0
- 5.6538 1.4658 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-41122-70-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- -0.9546 0.4196 0.1761 C 0 0 0
- -2.4043 0.1309 0.0587 C 0 0 0
- -0.2685 0.0934 1.3452 C 0 0 0
- -0.2713 1.0127 -0.8842 C 0 0 0
- -3.2492 1.0489 -0.5650 C 0 0 0
- -2.9210 -1.0612 0.5673 C 0 0 0
- 1.0806 0.3639 1.4485 C 0 0 0
- 1.0782 1.2786 -0.7694 C 0 0 0
- -4.5954 0.7819 -0.6750 C 0 0 0
- -4.2663 -1.3306 0.4586 C 0 0 0
- 1.7525 0.9576 0.3948 C 0 0 0
- -5.1151 -0.4092 -0.1615 C 0 0 0
- 3.2258 1.2509 0.5140 C 0 0 0
- -6.5150 -0.6882 -0.2752 C 0 0 0
- 4.0275 0.0476 0.0137 C 0 0 0
- -7.6256 -0.9095 -0.3654 N 0 0 0
- 5.5233 0.3454 0.1347 C 0 0 0
- 6.3250 -0.8579 -0.3656 C 0 0 0
- 7.8208 -0.5601 -0.2445 C 0 0 0
- 8.6225 -1.7634 -0.7449 C 0 0 0
- -0.3948 -0.9281 0.0000 H 0 0 0
- -0.7234 1.9374 0.0000 H 0 0 0
- -2.9298 2.0274 0.0000 H 0 0 0
- -2.2740 -1.8617 0.0000 H 0 0 0
- 1.5383 -0.5581 0.0000 H 0 0 0
- 1.2064 2.2999 0.0000 H 0 0 0
- -5.2407 1.5838 0.0000 H 0 0 0
- -4.5846 -2.3095 0.0000 H 0 0 0
- 4.1493 1.7054 0.0000 H 0 0 0
- 2.8953 2.2257 0.0000 H 0 0 0
- 3.1040 -0.4069 0.0000 H 0 0 0
- 4.3580 -0.9272 0.0000 H 0 0 0
- 6.4468 0.7999 0.0000 H 0 0 0
- 5.1928 1.3202 0.0000 H 0 0 0
- 5.4015 -1.3124 0.0000 H 0 0 0
- 6.6555 -1.8327 0.0000 H 0 0 0
- 8.7443 -0.1056 0.0000 H 0 0 0
- 7.4903 0.4147 0.0000 H 0 0 0
- 7.7659 -2.3341 0.0000 H 0 0 0
- 9.1932 -2.6200 0.0000 H 0 0 0
- 9.4791 -1.1927 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 3 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 8 11 2 0
- 10 12 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-600-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.1600 0.3238 -0.3961 C 0 0 0
- -1.2435 0.1205 -0.0287 N 0 3 0
- 0.7681 1.4096 0.4939 C 0 0 0
- 1.0694 -1.2168 -0.1711 Cl 0 0 0
- -2.1164 0.7710 -0.5750 O 0 0 0
- -1.5375 -0.6991 0.8230 O 0 5 0
- 2.2339 1.6219 0.1102 C 0 0 0
- -0.4055 1.1467 0.0000 H 0 0 0
- 0.8422 2.4053 0.0000 H 0 0 0
- -0.1880 1.6974 0.0000 H 0 0 0
- 2.3770 0.6337 0.0000 H 0 0 0
- 3.2221 1.7650 0.0000 H 0 0 0
- 2.0908 2.6101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 7 11 1 0
- 7 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26761-45-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 5.6252 0.0460 -0.0783 C 0 0 0
- 4.3709 -0.8182 0.0659 C 0 0 0
- 5.6674 1.0763 1.0521 C 0 0 0
- 6.8682 -0.8429 -0.0048 C 0 0 0
- 5.5941 0.7690 -1.4264 C 0 0 0
- 3.1278 0.0708 -0.0076 C 0 0 0
- 1.8735 -0.7935 0.1366 C 0 0 0
- 0.6305 0.0955 0.0631 C 0 0 0
- -0.6238 -0.7687 0.2073 C 0 0 0
- -1.8482 0.1069 0.1349 C 0 0 0
- -3.0703 -0.4384 0.2386 O 0 0 0
- -1.7297 1.2997 -0.0165 O 0 0 0
- -4.2500 0.4053 0.1688 C 0 0 0
- -5.5043 -0.4590 0.3130 C 0 0 0
- -6.7474 0.4300 0.2396 C 0 0 0
- -6.2972 -0.3490 -0.8707 O 0 0 0
- 3.6082 -1.6596 0.0000 H 0 0 0
- 5.1188 -1.6729 0.0000 H 0 0 0
- 6.8021 1.0298 0.0000 H 0 0 0
- 5.7139 2.2110 0.0000 H 0 0 0
- 4.5327 1.1228 0.0000 H 0 0 0
- 6.2076 -1.7667 0.0000 H 0 0 0
- 7.7920 -1.5035 0.0000 H 0 0 0
- 7.5288 0.0809 0.0000 H 0 0 0
- 6.7287 0.8178 0.0000 H 0 0 0
- 5.5453 1.9036 0.0000 H 0 0 0
- 4.4595 0.7202 0.0000 H 0 0 0
- 3.8905 0.9122 0.0000 H 0 0 0
- 2.3799 0.9254 0.0000 H 0 0 0
- 1.1108 -1.6349 0.0000 H 0 0 0
- 2.6214 -1.6481 0.0000 H 0 0 0
- 1.3932 0.9369 0.0000 H 0 0 0
- -0.1174 0.9502 0.0000 H 0 0 0
- -1.3865 -1.6101 0.0000 H 0 0 0
- 0.1241 -1.6234 0.0000 H 0 0 0
- -3.4873 1.2467 0.0000 H 0 0 0
- -4.9979 1.2599 0.0000 H 0 0 0
- -5.2424 -1.5640 0.0000 H 0 0 0
- -6.4783 1.5333 0.0000 H 0 0 0
- -7.8716 0.2688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 13 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100325-51-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 0.5688 0.4255 -0.1163 C 0 0 0
- 1.0368 -0.8895 0.0467 C 0 0 0
- 1.4600 1.4705 -0.2492 N 0 0 0
- -0.8041 0.6619 -0.1363 C 0 0 0
- 2.4930 -1.1221 0.0713 C 0 0 0
- 0.1370 -1.9485 0.1822 C 0 0 0
- 2.7873 1.2983 -0.2312 C 0 0 0
- 0.9309 2.8262 -0.4176 C 0 0 0
- -1.6892 -0.4016 0.0046 C 0 0 0
- -1.2737 1.9191 -0.2915 F 0 0 0
- 3.3651 0.0537 -0.0782 C 0 0 0
- 2.9548 -2.2413 0.2102 O 0 0 0
- -1.2081 -1.7081 0.1567 C 0 0 0
- 0.7980 3.4955 0.9518 C 0 0 0
- -3.1505 -0.1521 -0.0164 C 0 0 0
- 4.8272 -0.0942 -0.0640 C 0 0 0
- -2.0774 -2.7340 0.2880 F 0 0 0
- -3.9672 -0.7481 -0.9824 C 0 0 0
- -3.7505 0.6809 0.9326 C 0 0 0
- 5.3798 -1.3145 0.0870 O 0 0 0
- 5.5383 0.8839 -0.1884 O 0 0 0
- -5.3221 -0.4892 -0.9653 C 0 0 0
- -5.1140 0.8855 0.8768 C 0 0 0
- -5.8479 0.3077 -0.0547 N 0 0 0
- 0.4850 -2.9175 0.0000 H 0 0 0
- 3.3960 2.1287 0.0000 H 0 0 0
- -0.0617 3.0997 0.0000 H 0 0 0
- 0.2414 2.0616 0.0000 H 0 0 0
- 1.8079 3.6960 0.0000 H 0 0 0
- 0.5975 4.5054 0.0000 H 0 0 0
- -0.2119 3.2950 0.0000 H 0 0 0
- -3.7417 -1.7527 0.0000 H 0 0 0
- -3.2143 1.5599 0.0000 H 0 0 0
- 5.8045 -2.2524 0.0000 H 0 0 0
- -5.8934 -1.3458 0.0000 H 0 0 0
- -5.3777 1.8808 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 16 21 2 0
- 18 22 2 0
- 19 23 1 0
- 22 24 1 0
- 7 11 2 0
- 9 13 1 0
- 23 24 2 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126222-34-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 94 97 1 V2000
- 3.9100 -0.0279 -0.3742 C 0 0 1
- 2.7491 -0.5055 0.3811 N 0 0 0
- 4.7509 0.8935 0.5117 C 0 0 0
- 4.7572 -1.2226 -0.8167 C 0 0 2
- 1.5032 -0.2417 -0.0599 C 0 0 0
- 3.9778 2.1858 0.7822 C 0 0 0
- 4.0145 -1.9990 -1.9059 C 0 0 2
- 4.9935 -2.0795 0.3021 O 0 0 0
- 0.3090 -0.7343 0.7162 C 0 0 2
- 1.3430 0.3923 -1.0814 O 0 0 0
- 4.6082 2.9184 1.9683 C 0 0 0
- 4.0316 3.0812 -0.4572 C 0 0 0
- 4.9560 -3.0323 -2.5277 C 0 0 0
- 3.5676 -1.0928 -2.9164 O 0 0 0
- 0.3537 -2.2610 0.8061 C 0 0 0
- -0.9204 -0.3210 0.0351 N 0 0 0
- 3.8351 4.2107 2.2389 C 0 0 0
- 3.2585 4.3735 -0.1867 C 0 0 0
- 4.2132 -3.8088 -3.6169 C 0 0 0
- 5.1852 -2.6916 -4.0016 C 0 0 0
- 1.2864 -2.6717 1.9162 C 0 0 0
- -1.9643 0.1421 0.7509 C 0 0 0
- 3.8889 5.1061 0.9994 C 0 0 0
- 0.9799 -2.7308 3.2262 C 0 0 0
- 2.5657 -3.0481 1.7721 N 0 0 0
- -3.2678 0.4586 0.0640 C 0 0 2
- -1.8546 0.3041 1.9479 O 0 0 0
- 2.1084 -3.1485 3.8786 N 0 0 0
- 3.0650 -3.3335 2.9435 C 0 0 0
- -3.6816 1.8946 0.3921 C 0 0 0
- -4.3490 -0.5078 0.5517 C 0 0 0
- -2.6676 2.8523 -0.1784 C 0 0 0
- -5.7031 -0.5586 -0.6543 S 0 0 0
- -2.7497 3.2374 -1.5033 C 0 0 0
- -1.6585 3.3502 0.6249 C 0 0 0
- -6.6893 -1.9012 0.0636 C 0 0 0
- -6.4415 0.6527 -0.5717 O 0 0 0
- -5.1889 -0.9827 -1.9093 O 0 0 0
- -1.8194 4.1160 -2.0268 C 0 0 0
- -0.7285 4.2286 0.1016 C 0 0 0
- -7.9591 -2.1013 -0.7661 C 0 0 0
- -5.8699 -3.1933 0.0615 C 0 0 0
- -7.0707 -1.5415 1.5010 C 0 0 0
- -0.8073 4.6093 -1.2252 C 0 0 0
- 3.3735 0.7386 0.0000 H 0 0 0
- 2.8340 -1.4372 0.0000 H 0 0 0
- 5.3774 0.1987 0.0000 H 0 0 0
- 5.5033 1.4495 0.0000 H 0 0 0
- 5.6025 -0.8216 0.0000 H 0 0 0
- 3.0689 1.9638 0.0000 H 0 0 0
- 3.2416 -2.5261 0.0000 H 0 0 0
- 5.2422 -2.9814 0.0000 H 0 0 0
- 0.2777 0.2008 0.0000 H 0 0 0
- 5.2481 2.2359 0.0000 H 0 0 0
- 5.3552 3.4817 0.0000 H 0 0 0
- 4.8991 2.7308 0.0000 H 0 0 0
- 4.6399 3.7921 0.0000 H 0 0 0
- 5.6848 -3.6189 0.0000 H 0 0 0
- 3.1538 -0.2537 0.0000 H 0 0 0
- -0.5753 -2.1502 0.0000 H 0 0 0
- 0.1071 -3.1635 0.0000 H 0 0 0
- -1.2595 -1.1929 0.0000 H 0 0 0
- 2.9676 4.5611 0.0000 H 0 0 0
- 3.2268 3.4998 0.0000 H 0 0 0
- 2.6186 5.0560 0.0000 H 0 0 0
- 2.5115 3.8102 0.0000 H 0 0 0
- 3.2978 -3.6155 0.0000 H 0 0 0
- 4.4894 -4.7027 0.0000 H 0 0 0
- 6.1151 -2.7942 0.0000 H 0 0 0
- 4.8447 -1.8202 0.0000 H 0 0 0
- 4.7961 5.3346 0.0000 H 0 0 0
- 3.3971 5.9020 0.0000 H 0 0 0
- 0.0475 -2.6542 0.0000 H 0 0 0
- -3.0403 -0.4489 0.0000 H 0 0 0
- 1.8564 -4.0495 0.0000 H 0 0 0
- 3.9422 -3.6588 0.0000 H 0 0 0
- -4.2084 2.6678 0.0000 H 0 0 0
- -4.5283 1.4967 0.0000 H 0 0 0
- -4.5854 -1.4130 0.0000 H 0 0 0
- -3.5506 -0.9956 0.0000 H 0 0 0
- -3.6429 3.5156 0.0000 H 0 0 0
- -1.1244 2.5821 0.0000 H 0 0 0
- -2.3517 4.8854 0.0000 H 0 0 0
- 0.1639 3.9477 0.0000 H 0 0 0
- -8.1047 -1.1771 0.0000 H 0 0 0
- -8.8833 -2.2469 0.0000 H 0 0 0
- -7.8135 -3.0255 0.0000 H 0 0 0
- -6.6600 -3.6943 0.0000 H 0 0 0
- -5.3689 -3.9834 0.0000 H 0 0 0
- -5.0798 -2.6923 0.0000 H 0 0 0
- -6.4288 -0.8609 0.0000 H 0 0 0
- -7.7513 -0.8996 0.0000 H 0 0 0
- -7.7126 -2.2221 0.0000 H 0 0 0
- -0.3948 5.4490 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 15 21 1 0
- 16 22 1 0
- 17 23 1 0
- 21 24 2 0
- 21 25 1 0
- 22 26 1 0
- 22 27 2 0
- 24 28 1 0
- 25 29 2 0
- 26 30 1 0
- 26 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 2 0
- 32 35 1 0
- 33 36 1 0
- 33 37 2 0
- 33 38 2 0
- 34 39 1 0
- 35 40 2 0
- 36 41 1 0
- 36 42 1 0
- 36 43 1 0
- 39 44 2 0
- 18 23 1 0
- 19 20 1 0
- 28 29 1 0
- 40 44 1 0
- 1 45 1 0
- 2 46 1 0
- 3 47 1 0
- 3 48 1 0
- 4 49 1 0
- 6 50 1 0
- 7 51 1 0
- 8 52 1 0
- 9 53 1 0
- 11 54 1 0
- 11 55 1 0
- 12 56 1 0
- 12 57 1 0
- 13 58 1 0
- 14 59 1 0
- 15 60 1 0
- 15 61 1 0
- 16 62 1 0
- 17 63 1 0
- 17 64 1 0
- 18 65 1 0
- 18 66 1 0
- 19 67 1 0
- 19 68 1 0
- 20 69 1 0
- 20 70 1 0
- 23 71 1 0
- 23 72 1 0
- 24 73 1 0
- 26 74 1 0
- 28 75 1 0
- 29 76 1 0
- 30 77 1 0
- 30 78 1 0
- 31 79 1 0
- 31 80 1 0
- 34 81 1 0
- 35 82 1 0
- 39 83 1 0
- 40 84 1 0
- 41 85 1 0
- 41 86 1 0
- 41 87 1 0
- 42 88 1 0
- 42 89 1 0
- 42 90 1 0
- 43 91 1 0
- 43 92 1 0
- 43 93 1 0
- 44 94 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7833 0.3260 -0.2746 C 0 0 0
- -0.5051 0.7599 -0.5948 N 0 0 0
- 1.8179 1.2451 -0.1563 C 0 0 0
- 1.0317 -1.0252 -0.0679 C 0 0 0
- -1.5476 -0.1685 -0.7137 N 0 0 0
- 3.0909 0.8126 0.1605 C 0 0 0
- 2.3066 -1.4507 0.2485 C 0 0 0
- -2.6280 -0.0747 0.0864 C 0 0 0
- 3.3358 -0.5335 0.3598 C 0 0 0
- -3.7494 -1.0733 -0.0415 C 0 0 0
- -2.6979 0.8135 0.9094 O 0 0 0
- -0.7103 1.7653 0.0000 H 0 0 0
- 1.6146 2.2509 0.0000 H 0 0 0
- 0.2570 -1.6981 0.0000 H 0 0 0
- -1.2243 -1.1424 0.0000 H 0 0 0
- 3.8680 1.4827 0.0000 H 0 0 0
- 2.5134 -2.4558 0.0000 H 0 0 0
- 4.3061 -0.8674 0.0000 H 0 0 0
- -4.4318 -0.3070 0.0000 H 0 0 0
- -4.5157 -1.7557 0.0000 H 0 0 0
- -3.0670 -1.8396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 7 9 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.4583 -0.2140 0.0798 C 0 0 0
- -2.6509 0.5926 0.0103 C 0 0 0
- -0.1199 0.3958 0.1286 C 0 0 0
- -1.6277 -1.5830 0.1043 C 0 0 0
- -3.8299 -0.0584 -0.0305 C 0 0 0
- 0.9753 -0.3871 0.1932 N 0 0 0
- -0.0020 1.6064 0.1107 O 0 0 0
- -3.3476 -1.7716 0.0355 S 0 0 0
- -5.1942 0.5117 -0.1032 N 0 3 0
- 2.2492 0.1839 0.1067 C 0 0 0
- -6.1621 -0.2270 -0.1328 O 0 0 0
- -5.3487 1.7195 -0.1334 O 0 5 0
- 3.3730 -0.6292 0.0377 C 0 0 0
- 2.3924 1.5651 0.0838 C 0 0 0
- 4.6302 -0.0617 -0.0482 C 0 0 0
- 3.6516 2.1266 -0.0021 C 0 0 0
- 4.7692 1.3155 -0.0659 C 0 0 0
- 6.0359 -1.0766 -0.1345 Cl 0 0 0
- -2.6041 1.6297 0.0000 H 0 0 0
- -0.8987 -2.3222 0.0000 H 0 0 0
- 0.8721 -1.4201 0.0000 H 0 0 0
- 3.2682 -1.6620 0.0000 H 0 0 0
- 1.5519 2.1745 0.0000 H 0 0 0
- 3.7596 3.1591 0.0000 H 0 0 0
- 5.7166 1.7400 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-534-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.7156 -0.0566 0.0018 C 0 0 0
- 0.0512 -1.1618 0.0009 C 0 0 0
- 0.0893 1.0184 0.0007 O 0 0 0
- -2.2224 -0.0294 -0.0018 C 0 0 0
- 1.3965 -0.7269 -0.0009 C 0 0 0
- 1.3713 0.6180 -0.0010 C 0 0 0
- -0.2717 -2.1176 0.0000 H 0 0 0
- -2.2042 0.9793 0.0000 H 0 0 0
- -3.2311 -0.0112 0.0000 H 0 0 0
- -2.2406 -1.0381 0.0000 H 0 0 0
- 2.2178 -1.3128 0.0000 H 0 0 0
- 2.1784 1.2232 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 6 2 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-550-60-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.6388 0.2206 -0.0018 C 0 0 0
- -1.5556 -0.8608 -0.0015 C 0 0 0
- 0.7402 -0.0445 -0.0004 C 0 0 0
- -1.1276 1.5387 0.0024 C 0 0 0
- -1.0687 -2.1792 0.0002 C 0 0 0
- -2.9353 -0.5935 -0.0024 C 0 0 0
- 1.1790 -1.3381 0.0012 C 0 0 0
- 1.7127 1.0715 -0.0012 N 0 3 0
- -2.4706 1.7587 0.0066 C 0 0 0
- 0.2729 -2.4029 0.0015 C 0 0 0
- -3.3719 0.6955 -0.0035 C 0 0 0
- 2.5137 -1.5934 0.0026 O 0 0 0
- 2.1121 1.5321 1.0533 O 0 0 0
- 2.1136 1.5292 -1.0564 O 0 5 0
- -0.4630 2.3456 0.0000 H 0 0 0
- -1.7350 -2.9847 0.0000 H 0 0 0
- -3.6229 -1.3809 0.0000 H 0 0 0
- -2.8316 2.7397 0.0000 H 0 0 0
- 0.6316 -3.3848 0.0000 H 0 0 0
- -4.3988 0.8912 0.0000 H 0 0 0
- 3.5405 -1.7898 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 7 10 2 0
- 9 11 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13171-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -2.2549 -0.1299 0.0309 P 0 0 0
- -0.8138 -0.5974 0.5755 O 0 0 0
- -2.0609 0.8139 -1.2589 O 0 0 0
- -3.1203 -1.4248 -0.3770 O 0 0 0
- -2.9626 0.6225 1.0908 O 0 0 0
- -0.1223 0.5251 0.8619 C 0 0 0
- -1.6120 -0.0278 -2.3229 C 0 0 0
- -4.4923 -1.0906 -0.1575 C 0 0 0
- 0.9812 0.8326 0.1585 C 0 0 0
- -0.5870 1.4342 1.9703 C 0 0 0
- 1.7060 -0.2143 -0.5585 C 0 0 0
- 1.5451 2.4735 0.1019 Cl 0 0 0
- 2.5593 -1.0190 0.1056 N 0 0 0
- 1.5392 -0.3597 -1.7556 O 0 0 0
- 2.2816 -1.3943 1.4943 C 0 0 0
- 3.7644 -1.5184 -0.5611 C 0 0 0
- 1.4145 -2.6547 1.5183 C 0 0 0
- 4.8175 -0.4095 -0.6086 C 0 0 0
- -2.4546 -0.4772 0.0000 H 0 0 0
- -1.1626 -0.8704 0.0000 H 0 0 0
- -0.7694 0.4216 0.0000 H 0 0 0
- -4.2663 -0.1627 0.0000 H 0 0 0
- -5.4202 -0.8646 0.0000 H 0 0 0
- -4.7183 -2.0185 0.0000 H 0 0 0
- 0.2633 1.8689 0.0000 H 0 0 0
- -1.0217 2.2845 0.0000 H 0 0 0
- -1.4373 0.9995 0.0000 H 0 0 0
- 1.8908 -0.5230 0.0000 H 0 0 0
- 1.3305 -1.3080 0.0000 H 0 0 0
- 3.2939 -2.3495 0.0000 H 0 0 0
- 4.5319 -2.0867 0.0000 H 0 0 0
- 0.6277 -2.1134 0.0000 H 0 0 0
- 0.8732 -3.4415 0.0000 H 0 0 0
- 2.2013 -3.1960 0.0000 H 0 0 0
- 5.5100 -1.0671 0.0000 H 0 0 0
- 5.4751 0.2830 0.0000 H 0 0 0
- 4.1250 0.2481 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 9 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 2 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101901-06-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -0.7379 0.3524 0.2358 C 0 0 0
- -2.2353 0.4558 0.3945 C 0 0 0
- 0.0342 1.4313 -0.0423 C 0 0 0
- 0.0480 -0.7594 0.3417 N 0 0 0
- -2.5772 1.8171 0.6673 O 0 0 0
- -2.9202 0.0041 -0.8969 C 0 0 0
- -2.6903 -0.4298 1.5562 C 0 0 0
- 1.4002 0.9756 -0.1190 C 0 0 0
- -0.5529 2.8091 -0.2244 C 0 0 0
- 1.3577 -0.4216 0.1306 C 0 0 0
- -2.0711 2.6321 -0.3891 C 0 0 0
- -2.4936 -1.4033 -1.2259 C 0 0 0
- -3.8349 0.2575 2.3036 C 0 0 0
- 2.6111 1.6302 -0.3698 C 0 0 0
- 2.5248 -1.1816 0.1307 C 0 0 0
- -2.8518 -1.9572 -2.3950 O 0 0 0
- -1.8291 -2.0331 -0.4375 O 0 0 0
- 3.7572 0.8497 -0.3660 C 0 0 0
- 3.7115 -0.5180 -0.1244 C 0 0 0
- 2.4962 -2.6645 0.3980 C 0 0 0
- 4.9593 1.4391 -0.6046 O 0 0 0
- 2.6499 -2.9151 1.8995 C 0 0 0
- -0.3045 -1.7205 0.0000 H 0 0 0
- -3.3991 0.9089 0.0000 H 0 0 0
- -3.8669 -0.3856 0.0000 H 0 0 0
- -3.1978 -1.3189 0.0000 H 0 0 0
- -1.7902 -0.9176 0.0000 H 0 0 0
- 0.4229 3.1187 0.0000 H 0 0 0
- -0.7680 3.8100 0.0000 H 0 0 0
- -1.9609 3.6499 0.0000 H 0 0 0
- -3.0390 2.9656 0.0000 H 0 0 0
- -3.3079 1.1352 0.0000 H 0 0 0
- -4.7126 0.7845 0.0000 H 0 0 0
- -4.3619 -0.6202 0.0000 H 0 0 0
- 2.6634 2.6526 0.0000 H 0 0 0
- -3.4077 -2.8169 0.0000 H 0 0 0
- 4.5858 -1.0506 0.0000 H 0 0 0
- 1.5356 -2.3105 0.0000 H 0 0 0
- 1.8470 -3.4561 0.0000 H 0 0 0
- 5.8785 1.8898 0.0000 H 0 0 0
- 1.7772 -3.4503 0.0000 H 0 0 0
- 3.1851 -3.7878 0.0000 H 0 0 0
- 3.5226 -2.3799 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 12 17 2 0
- 14 18 2 0
- 15 19 2 0
- 15 20 1 0
- 18 21 1 0
- 20 22 1 0
- 8 10 2 0
- 9 11 1 0
- 18 19 1 0
- 4 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 9 28 1 0
- 9 29 1 0
- 11 30 1 0
- 11 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 16 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90301-59-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.8848 -0.7767 0.2804 C 0 0 2
- 0.4593 -1.1146 0.2916 N 0 0 0
- 2.0645 0.5685 0.7744 O 0 0 0
- 2.3921 -0.7327 -1.1780 C 0 0 0
- 0.0777 -2.3982 0.1617 C 0 0 0
- -0.4712 -0.1224 0.4395 C 0 0 0
- 3.3388 0.9997 0.2490 C 0 0 1
- 3.3707 0.4628 -1.1992 C 0 0 1
- -1.2250 -2.7368 0.1686 N 0 0 0
- 0.9215 -3.2645 0.0360 O 0 0 0
- -1.7850 -0.4339 0.4498 C 0 0 0
- 3.3905 2.5287 0.2273 C 0 0 0
- 4.6862 -0.0038 -1.5053 O 0 0 0
- -2.1730 -1.7879 0.3067 C 0 0 0
- -2.8244 0.6452 0.6115 C 0 0 0
- 3.2708 3.0282 1.5608 O 0 0 0
- -3.3518 -2.0934 0.3130 O 0 0 0
- -3.2266 1.1763 -0.7659 C 0 0 0
- -4.4702 2.4674 -0.5725 Cl 0 0 0
- 2.0455 -1.7749 0.0000 H 0 0 0
- 2.2201 -1.7290 0.0000 H 0 0 0
- 3.3118 -1.1528 0.0000 H 0 0 0
- -0.1798 0.8458 0.0000 H 0 0 0
- 4.3498 1.0126 0.0000 H 0 0 0
- 2.4088 0.7744 0.0000 H 0 0 0
- -1.4906 -3.7124 0.0000 H 0 0 0
- 4.2930 2.0728 0.0000 H 0 0 0
- 4.1835 3.1559 0.0000 H 0 0 0
- 5.6391 -0.3418 0.0000 H 0 0 0
- -3.8219 0.4801 0.0000 H 0 0 0
- -3.1425 -0.3145 0.0000 H 0 0 0
- 3.0352 4.0114 0.0000 H 0 0 0
- -2.2291 1.3414 0.0000 H 0 0 0
- -2.9085 2.1360 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 18 19 1 0
- 7 8 1 0
- 11 14 1 0
- 1 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 1.1923 -0.2474 -0.0032 C 0 0 0
- -0.0002 -0.9563 -0.0022 C 0 0 0
- 1.1566 1.0763 -0.0021 N 0 0 0
- 2.7127 -1.0853 0.0014 Cl 0 0 0
- -1.1922 -0.2475 -0.0002 C 0 0 0
- 0.0000 1.7228 -0.0002 C 0 0 0
- -1.1564 1.0765 0.0008 N 0 0 0
- -2.7127 -1.0853 0.0005 Cl 0 0 0
- 0.0000 3.1068 0.0014 N 0 0 0
- -0.0003 -1.9943 0.0000 H 0 0 0
- 0.8989 3.6258 0.0000 H 0 0 0
- -0.8989 3.6258 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 7 2 0
- 2 10 1 0
- 9 11 1 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109897-79-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.9041 0.5022 0.1291 C 0 0 0
- 1.6172 -0.8654 0.3091 C 0 0 0
- 3.3416 0.9565 0.1352 C 0 0 2
- 0.9040 1.4029 -0.0422 C 0 0 0
- 0.3112 -1.3174 0.3121 C 0 0 0
- 2.7378 -1.8123 0.4958 C 0 0 0
- 4.2257 -0.1163 -0.4969 C 0 0 1
- 3.7622 1.1882 1.4811 O 0 0 0
- -0.4365 0.9757 -0.0391 C 0 0 0
- -0.7356 -0.3996 0.1335 C 0 0 0
- 3.9595 -1.4594 0.1225 C 0 0 0
- 3.9676 -0.1797 -1.9010 O 0 0 0
- -1.4885 1.8907 -0.2134 C 0 0 0
- -2.0779 -0.8194 0.1323 C 0 0 0
- -2.7759 1.4487 -0.2046 C 0 0 0
- -3.0696 0.0958 -0.0432 C 0 0 0
- -4.4813 -0.3493 -0.0442 N 0 3 0
- -5.3757 0.4625 -0.2006 O 0 0 0
- -4.7484 -1.5274 0.1114 O 0 5 0
- 2.9327 1.9109 0.0000 H 0 0 0
- 1.1228 2.4179 0.0000 H 0 0 0
- 0.1117 -2.3364 0.0000 H 0 0 0
- 2.5212 -2.8278 0.0000 H 0 0 0
- 5.2325 0.1374 0.0000 H 0 0 0
- 4.6716 1.6892 0.0000 H 0 0 0
- 4.7244 -2.1615 0.0000 H 0 0 0
- 2.9593 -0.4274 0.0000 H 0 0 0
- -1.2898 2.9098 0.0000 H 0 0 0
- -2.3056 -1.8324 0.0000 H 0 0 0
- -3.5517 2.1387 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 13 15 2 0
- 14 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 7 11 1 0
- 9 10 2 0
- 15 16 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4309-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.4192 0.3103 -0.0014 C 0 0 0
- -0.0342 0.5498 -0.0015 C 0 0 0
- 2.3074 1.3898 -0.0014 C 0 0 0
- 1.9142 -0.9976 0.0045 C 0 0 0
- -0.8859 -0.4886 -0.0015 C 0 0 0
- 3.6659 1.1618 -0.0014 C 0 0 0
- 3.2736 -1.2174 0.0045 C 0 0 0
- -2.3400 -0.2490 -0.0016 C 0 0 0
- 4.1542 -0.1404 -0.0013 C 0 0 0
- -3.2294 -1.3272 -0.0016 C 0 0 0
- -2.8363 1.0571 0.0041 C 0 0 0
- 5.5306 -0.3672 -0.0013 N 0 0 0
- -4.5887 -1.0952 -0.0017 C 0 0 0
- -4.1986 1.2737 0.0039 C 0 0 0
- -5.0729 0.2013 -0.0019 C 0 0 0
- -0.4020 1.5260 0.0000 H 0 0 0
- 1.9418 2.3669 0.0000 H 0 0 0
- 1.2545 -1.8057 0.0000 H 0 0 0
- -0.5181 -1.4648 0.0000 H 0 0 0
- 4.3293 1.9669 0.0000 H 0 0 0
- 3.6436 -2.1928 0.0000 H 0 0 0
- -2.8658 -2.3050 0.0000 H 0 0 0
- -2.1782 1.8665 0.0000 H 0 0 0
- 5.8984 -1.3434 0.0000 H 0 0 0
- 6.1922 0.4394 0.0000 H 0 0 0
- -5.2537 -1.8990 0.0000 H 0 0 0
- -4.5706 2.2484 0.0000 H 0 0 0
- -6.1022 0.3709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 7 9 1 0
- 14 15 2 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 2.0337 -0.1001 0.0532 C 0 0 0
- 0.8848 0.8212 -0.0098 C 0 0 0
- 3.3403 0.3925 -0.0720 C 0 0 0
- 1.8273 -1.4692 0.2438 C 0 0 0
- -0.3712 0.3332 -0.0048 O 0 0 0
- 1.0704 2.0207 -0.0662 O 0 0 0
- 4.4137 -0.4838 -0.0107 C 0 0 0
- 3.5537 1.7198 -0.2526 O 0 0 0
- 2.9055 -2.3248 0.3021 C 0 0 0
- -1.5029 1.2408 -0.0668 C 0 0 0
- 4.1950 -1.8345 0.1727 C 0 0 0
- -2.7843 0.4478 -0.0471 C 0 0 0
- -3.7025 0.6434 0.9672 C 0 0 0
- -3.0440 -0.4712 -1.0469 C 0 0 0
- -4.8781 -0.0841 0.9853 C 0 0 0
- -4.2192 -1.1984 -1.0288 C 0 0 0
- -5.1351 -1.0069 -0.0110 C 0 0 0
- 0.8657 -1.8479 0.0000 H 0 0 0
- 5.3799 -0.1170 0.0000 H 0 0 0
- 3.7178 2.7402 0.0000 H 0 0 0
- 2.7473 -3.3461 0.0000 H 0 0 0
- -0.7691 1.9686 0.0000 H 0 0 0
- -2.1428 2.0523 0.0000 H 0 0 0
- 4.9960 -2.4876 0.0000 H 0 0 0
- -3.8795 1.6616 0.0000 H 0 0 0
- -2.2188 -1.0934 0.0000 H 0 0 0
- -5.7045 0.5365 0.0000 H 0 0 0
- -4.0403 -2.2163 0.0000 H 0 0 0
- -6.0181 -1.5440 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 9 11 1 0
- 16 17 1 0
- 4 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-930-37-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.8358 0.0149 -0.5655 C 0 0 0
- -2.0430 -0.7173 0.0240 C 0 0 0
- -1.7458 0.6445 0.3387 O 0 0 0
- 0.4294 -0.3979 0.1894 C 0 0 0
- 1.5569 0.2859 -0.3611 O 0 0 0
- 2.7011 -0.1393 0.3820 C 0 0 0
- -0.3944 0.9050 0.0000 H 0 0 0
- -3.0358 -0.7555 0.0000 H 0 0 0
- -1.7571 -1.6688 0.0000 H 0 0 0
- -0.0917 -1.2438 0.0000 H 0 0 0
- 1.1295 -1.1029 0.0000 H 0 0 0
- 2.3550 -1.0706 0.0000 H 0 0 0
- 3.6324 -0.4854 0.0000 H 0 0 0
- 3.0472 0.7920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 2 3 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-253-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.0193 0.7284 0.0029 C 0 0 0
- 0.0494 -0.6937 0.0009 C 0 0 0
- 1.2388 1.4207 0.0023 C 0 0 0
- -1.2348 1.3583 -0.0004 C 0 0 0
- -1.1792 -1.3720 0.0011 C 0 0 0
- 1.2923 -1.3409 -0.0016 C 0 0 0
- 2.3956 0.6981 -0.0002 C 0 0 0
- -2.3175 0.6117 -0.0052 N 0 0 0
- -2.2910 -0.6689 0.0030 N 0 0 0
- 2.3955 -0.6276 -0.0020 N 0 0 0
- 1.2603 2.4434 0.0000 H 0 0 0
- -1.3054 2.3788 0.0000 H 0 0 0
- -1.2096 -2.3945 0.0000 H 0 0 0
- 1.3403 -2.3627 0.0000 H 0 0 0
- 3.2903 1.1941 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 4 2 0
- 9 5 2 0
- 10 6 2 0
- 8 9 1 0
- 7 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1608-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.7726 1.0108 -0.0038 C 0 0 0
- 0.4406 0.4101 -0.0034 C 0 0 0
- 1.8940 2.2222 -0.0002 O 0 0 0
- 2.9734 0.1471 -0.0024 C 0 0 0
- -0.6568 1.1994 0.0010 C 0 0 0
- 4.2473 0.7178 -0.0027 C 0 0 0
- 2.8377 -1.2425 0.0052 C 0 0 0
- -1.9968 0.5950 0.0014 C 0 0 0
- 5.3632 -0.0935 -0.0009 C 0 0 0
- 3.9615 -2.0420 0.0069 C 0 0 0
- -3.1350 1.4092 0.0058 C 0 0 0
- -2.1400 -0.7975 -0.0086 C 0 0 0
- 5.2216 -1.4698 0.0012 C 0 0 0
- -4.3880 0.8362 0.0057 C 0 0 0
- -3.3986 -1.3571 -0.0087 C 0 0 0
- -4.5227 -0.5441 0.0011 C 0 0 0
- -5.7543 -1.0996 0.0015 F 0 0 0
- 0.3369 -0.6238 0.0000 H 0 0 0
- -0.5532 2.2333 0.0000 H 0 0 0
- 4.3549 1.7513 0.0000 H 0 0 0
- 1.8922 -1.6733 0.0000 H 0 0 0
- 6.3120 0.3300 0.0000 H 0 0 0
- 3.8619 -3.0763 0.0000 H 0 0 0
- -3.0354 2.4435 0.0000 H 0 0 0
- -1.2989 -1.4075 0.0000 H 0 0 0
- 6.0651 -2.0765 0.0000 H 0 0 0
- -5.2339 1.4396 0.0000 H 0 0 0
- -3.5064 -2.3905 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 16 1 0
- 10 13 1 0
- 15 16 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16543-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.5340 0.8241 0.6443 C 0 0 0
- -0.8527 0.3513 0.2913 C 0 0 0
- 1.5187 -0.1776 0.2100 N 0 0 0
- 0.8420 2.1299 -0.1183 C 0 0 0
- -1.9371 0.7053 1.0797 C 0 0 0
- -1.0604 -0.4357 -0.8253 C 0 0 0
- 2.4019 0.4343 -0.7994 C 0 0 0
- 1.5972 -1.3909 0.6412 N 0 0 0
- 2.3311 1.9560 -0.5180 C 0 0 0
- -3.1942 0.2475 0.7167 C 0 0 0
- -2.2710 -0.8533 -1.1406 N 0 0 0
- 2.4576 -2.1365 0.2085 O 0 0 0
- -3.3241 -0.5411 -0.4110 C 0 0 0
- 1.4356 1.0762 0.0000 H 0 0 0
- 0.9863 3.0549 0.0000 H 0 0 0
- -0.0768 2.3096 0.0000 H 0 0 0
- -1.9529 1.6413 0.0000 H 0 0 0
- -0.3744 -1.0727 0.0000 H 0 0 0
- 2.7831 -0.4207 0.0000 H 0 0 0
- 3.3128 0.6504 0.0000 H 0 0 0
- 3.2672 1.9487 0.0000 H 0 0 0
- 2.3891 2.8904 0.0000 H 0 0 0
- -3.9148 0.8451 0.0000 H 0 0 0
- -4.1174 -1.0381 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 7 9 1 0
- 11 13 2 0
- 1 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-96-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.3479 0.7004 -0.0369 C 0 0 0
- 0.3402 -0.7044 0.0388 C 0 0 0
- 1.5620 1.3803 -0.0791 C 0 0 0
- -0.9268 1.4504 -0.0776 C 0 0 0
- 1.5469 -1.3980 0.0706 C 0 0 0
- -0.9425 -1.4402 0.0838 C 0 0 0
- 2.7503 0.6752 -0.0466 C 0 0 0
- -1.6490 1.4905 -1.2148 N 0 0 0
- -1.3226 2.0303 0.9144 O 0 0 0
- 2.7428 -0.7064 0.0278 C 0 0 0
- -1.6241 -1.5361 1.2425 N 0 0 0
- -1.3816 -1.9583 -0.9241 O 0 0 0
- 1.5750 2.4165 0.0000 H 0 0 0
- 1.5483 -2.4343 0.0000 H 0 0 0
- 3.6522 1.1855 0.0000 H 0 0 0
- -2.1166 2.4153 0.0000 H 0 0 0
- -2.2161 0.6232 0.0000 H 0 0 0
- 3.6390 -1.2266 0.0000 H 0 0 0
- -2.2622 -0.7196 0.0000 H 0 0 0
- -2.0121 -2.4970 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24367-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.2502 -1.8517 0.3094 C 0 0 0
- -0.0421 -1.1173 0.0609 C 0 0 0
- 2.4048 -0.8902 0.1928 C 0 0 0
- -0.5478 -1.0260 -1.2227 C 0 0 0
- -0.7226 -0.5410 1.1180 C 0 0 0
- 2.8474 -0.2052 1.3094 C 0 0 0
- 3.0229 -0.6992 -1.0296 C 0 0 0
- -1.7323 -0.3540 -1.4538 C 0 0 0
- -1.9072 0.1322 0.8937 C 0 0 0
- 3.9053 0.6768 1.2061 C 0 0 0
- 4.0810 0.1811 -1.1399 C 0 0 0
- -2.4152 0.2302 -0.3953 C 0 0 0
- 4.5246 0.8752 -0.0212 C 0 0 0
- -3.6153 0.9117 -0.6260 N 0 0 0
- 5.5944 1.7667 -0.1293 N 0 0 0
- -4.7235 0.5775 0.0644 C 0 0 0
- -5.9801 1.3957 -0.0855 C 0 0 0
- -4.7094 -0.3818 0.8065 O 0 0 0
- 0.7341 -2.5497 0.0000 H 0 0 0
- 1.8815 -2.4476 0.0000 H 0 0 0
- -0.8433 -1.8423 0.0000 H 0 0 0
- -0.2255 0.1707 0.0000 H 0 0 0
- 2.1975 0.3703 0.0000 H 0 0 0
- 3.4367 -1.4624 0.0000 H 0 0 0
- -2.2309 -1.0646 0.0000 H 0 0 0
- -1.6065 0.9466 0.0000 H 0 0 0
- 3.4872 1.4376 0.0000 H 0 0 0
- 4.7321 -0.3931 0.0000 H 0 0 0
- -3.5185 1.7744 0.0000 H 0 0 0
- 6.4092 1.4670 0.0000 H 0 0 0
- 5.4466 2.6221 0.0000 H 0 0 0
- -5.5064 2.1232 0.0000 H 0 0 0
- -6.7076 1.8694 0.0000 H 0 0 0
- -6.4538 0.6682 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 16 1 0
- 18 16 2 0
- 9 12 1 0
- 11 13 1 0
- 1 19 1 0
- 1 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3271-05-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.2613 0.8004 0.0019 C 0 0 0
- -0.6831 -0.2520 0.0009 C 0 0 0
- 1.6408 0.4944 0.0015 C 0 0 0
- -0.1707 2.1429 -0.0026 C 0 0 0
- -2.0424 0.0595 0.0017 C 0 0 0
- -0.1981 -1.6352 -0.0006 C 0 0 0
- 2.0500 -0.9174 0.0000 C 0 0 0
- 2.5638 1.5313 0.0020 C 0 0 0
- -1.5524 2.4171 -0.0075 C 0 0 0
- 0.7908 3.1660 -0.0015 C 0 0 0
- -2.4530 1.3964 0.0036 C 0 0 0
- -2.9647 -0.9324 0.0004 O 0 0 0
- 1.1232 -1.8942 -0.0005 N 0 0 0
- -0.9945 -2.5550 -0.0015 O 0 0 0
- 3.2318 -1.2047 -0.0007 O 0 0 0
- 2.1306 2.8504 0.0029 C 0 0 0
- -4.2478 -0.3034 0.0017 C 0 0 0
- 1.5688 -3.2898 -0.0009 C 0 0 0
- 3.5893 1.3181 0.0000 H 0 0 0
- -1.8878 3.4093 0.0000 H 0 0 0
- 0.4887 4.1689 0.0000 H 0 0 0
- -3.4768 1.6173 0.0000 H 0 0 0
- 2.8387 3.6222 0.0000 H 0 0 0
- -3.7868 0.6371 0.0000 H 0 0 0
- -5.1883 0.1576 0.0000 H 0 0 0
- -4.7088 -1.2439 0.0000 H 0 0 0
- 0.5710 -3.6084 0.0000 H 0 0 0
- 1.8874 -4.2876 0.0000 H 0 0 0
- 2.5666 -2.9712 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 8 16 2 0
- 12 17 1 0
- 13 18 1 0
- 7 13 1 0
- 9 11 2 0
- 10 16 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 16 23 1 0
- 17 24 1 0
- 17 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 2.2697 0.6721 -0.1095 N 0 0 0
- 1.3274 -0.2696 0.0949 C 0 0 0
- 3.6754 0.3764 0.1784 C 0 0 0
- 1.8891 1.9893 -0.6255 C 0 0 0
- -0.3632 0.0860 -0.2514 S 0 0 0
- 1.7731 -1.8113 0.6912 S 0 0 0
- 4.2838 -0.3983 -0.9923 C 0 0 0
- 1.3385 2.8450 0.5172 C 0 0 0
- -1.6287 -1.1786 0.0232 C 0 0 0
- -2.9805 -0.6253 -0.3475 C 0 0 0
- -3.6886 -1.2006 -1.2898 C 0 0 0
- -3.6005 0.7735 0.4726 Cl 0 0 0
- 4.6780 0.7707 0.0000 H 0 0 0
- 3.5853 1.4500 0.0000 H 0 0 0
- 2.9551 1.8331 0.0000 H 0 0 0
- 2.4725 2.8950 0.0000 H 0 0 0
- 3.4365 -1.0637 0.0000 H 0 0 0
- 4.9492 -1.2456 0.0000 H 0 0 0
- 5.1311 0.2671 0.0000 H 0 0 0
- 2.2445 3.4280 0.0000 H 0 0 0
- 0.7555 3.7510 0.0000 H 0 0 0
- 0.4325 2.2620 0.0000 H 0 0 0
- -2.1649 -2.1131 0.0000 H 0 0 0
- -0.7732 -1.8335 0.0000 H 0 0 0
- -4.6950 -0.8161 0.0000 H 0 0 0
- -3.5184 -2.2644 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-557-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.1188 -0.4759 0.1266 N 0 0 0
- -1.3886 -0.0500 -0.0242 C 0 0 0
- 0.9729 0.4961 0.2259 C 0 0 0
- -2.3929 -0.9441 -0.1156 N 0 0 0
- -1.6281 1.1409 -0.0778 O 0 0 0
- 2.2816 -0.2333 0.3879 C 0 0 0
- 3.2331 -0.0762 -0.4987 C 0 0 0
- 0.0831 -1.4619 0.0000 H 0 0 0
- 1.5578 1.3152 0.0000 H 0 0 0
- 0.2240 1.1686 0.0000 H 0 0 0
- -3.3484 -0.6277 0.0000 H 0 0 0
- -2.1892 -1.9297 0.0000 H 0 0 0
- 2.1089 -1.2249 0.0000 H 0 0 0
- 3.8716 -0.8542 0.0000 H 0 0 0
- 3.5876 0.8658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 6 7 2 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.5552 -0.0520 -0.0011 C 0 0 0
- 0.3147 0.4754 0.0003 O 0 0 0
- 2.7294 0.8316 0.0006 C 0 0 0
- 1.7026 -1.2584 0.0014 O 0 0 0
- -0.8454 -0.3977 -0.0014 C 0 0 0
- 3.9541 0.3109 -0.0007 C 0 0 0
- -2.1203 0.4482 0.0006 C 0 0 0
- -3.3428 -0.4719 -0.0011 C 0 0 0
- -4.6177 0.3740 0.0009 C 0 0 0
- 2.5966 1.9191 0.0000 H 0 0 0
- -1.5504 -1.2363 0.0000 H 0 0 0
- -0.0919 -1.1930 0.0000 H 0 0 0
- 4.0870 -0.7766 0.0000 H 0 0 0
- 4.8294 0.9697 0.0000 H 0 0 0
- -1.4153 1.2868 0.0000 H 0 0 0
- -2.8738 1.2435 0.0000 H 0 0 0
- -4.0478 -1.3105 0.0000 H 0 0 0
- -2.5893 -1.2672 0.0000 H 0 0 0
- -4.0120 1.2869 0.0000 H 0 0 0
- -5.5306 0.9797 0.0000 H 0 0 0
- -5.2234 -0.5389 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-497-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.6788 -0.0502 0.0017 C 0 0 0
- 0.2256 -1.2031 0.0009 C 0 0 0
- 0.0333 1.0922 0.0007 O 0 0 0
- -1.8924 -0.1157 -0.0014 O 0 0 0
- 1.4867 -0.7789 -0.0007 C 0 0 0
- 1.4431 0.7313 -0.0009 C 0 0 0
- -0.0754 -2.2096 0.0000 H 0 0 0
- 2.3485 -1.3796 0.0000 H 0 0 0
- 2.4915 0.6638 0.0000 H 0 0 0
- 1.6078 1.7688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 5 6 1 0
- 2 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15961-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 52 1 V2000
- -0.3384 -0.0538 -0.5514 N 0 3 0
- 0.4945 -1.1693 -0.3948 N 0 0 0
- 0.1356 1.0187 -0.8810 O 0 5 0
- -1.7308 -0.1744 -0.3325 C 0 0 0
- 1.7878 -1.0087 -0.2762 C 0 0 0
- -2.5557 0.9304 -0.4876 C 0 0 0
- -2.2722 -1.3988 0.0319 C 0 0 0
- 2.3691 0.3326 -0.0666 C 0 0 0
- 2.7048 -2.1650 -0.3425 C 0 0 0
- -3.9119 0.8132 -0.2744 C 0 0 0
- -3.6279 -1.5215 0.2463 C 0 0 0
- 3.7096 0.4599 0.0514 C 0 0 0
- 4.0329 -1.9612 -0.2162 C 0 0 0
- -4.4624 -0.4110 0.0971 C 0 0 0
- -5.0404 1.8113 -0.3623 C 0 0 0
- 4.5610 -0.6622 -0.0219 C 0 0 0
- 4.5801 1.6760 0.2677 C 0 0 0
- -5.9295 -0.2633 0.2612 C 0 0 0
- -6.2960 1.0532 -0.0076 C 0 0 0
- 5.9581 -0.2220 0.1390 C 0 0 0
- 5.9994 1.1671 0.3133 C 0 0 0
- -6.9124 -1.1878 0.6190 C 0 0 0
- -7.6166 1.4387 0.0790 C 0 0 0
- 7.1593 -0.9512 0.1412 C 0 0 0
- 7.2051 1.8075 0.4836 C 0 0 0
- -8.2316 -0.7930 0.7032 C 0 0 0
- -8.5857 0.5166 0.4343 C 0 0 0
- 8.3577 -0.2960 0.3139 C 0 0 0
- 8.3853 1.0792 0.4832 C 0 0 0
- -2.1328 1.8733 0.0000 H 0 0 0
- -1.6698 -2.2385 0.0000 H 0 0 0
- 1.7617 1.1687 0.0000 H 0 0 0
- 2.3272 -3.1270 0.0000 H 0 0 0
- -4.0474 -2.4659 0.0000 H 0 0 0
- 4.6734 -2.7722 0.0000 H 0 0 0
- -4.2811 2.5123 0.0000 H 0 0 0
- -5.6611 2.6375 0.0000 H 0 0 0
- 5.0171 2.6125 0.0000 H 0 0 0
- 3.6879 2.1975 0.0000 H 0 0 0
- -6.6748 -2.1935 0.0000 H 0 0 0
- -7.8605 2.4429 0.0000 H 0 0 0
- 7.1359 -1.9844 0.0000 H 0 0 0
- 7.2385 2.8404 0.0000 H 0 0 0
- -8.9720 -1.5139 0.0000 H 0 0 0
- -9.5808 0.7953 0.0000 H 0 0 0
- 9.2413 -0.8320 0.0000 H 0 0 0
- 9.2927 1.5737 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 2 0
- 9 5 1 0
- 10 6 1 0
- 11 7 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 2 0
- 15 10 1 0
- 16 12 2 0
- 17 12 1 0
- 18 14 1 0
- 19 15 1 0
- 20 16 1 0
- 21 17 1 0
- 22 18 2 0
- 23 19 2 0
- 24 20 2 0
- 25 21 2 0
- 26 22 1 0
- 27 23 1 0
- 28 24 1 0
- 29 25 1 0
- 11 14 1 0
- 13 16 1 0
- 18 19 1 0
- 20 21 1 0
- 26 27 2 0
- 28 29 2 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 13 35 1 0
- 15 36 1 0
- 15 37 1 0
- 17 38 1 0
- 17 39 1 0
- 22 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
- 26 44 1 0
- 27 45 1 0
- 28 46 1 0
- 29 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84850-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 42 1 V2000
- -0.2468 1.1127 -0.1157 C 0 0 0
- 0.4417 -0.0592 -0.0696 C 0 0 0
- 0.4927 2.4305 -0.1906 C 0 0 0
- -1.6617 1.1384 -0.1015 C 0 0 0
- 1.9236 -0.1055 -0.0899 C 0 0 0
- -0.2874 -1.3355 0.0026 C 0 0 0
- 2.0280 2.4000 -0.2049 C 0 0 0
- 1.2748 2.5979 0.9934 O 0 0 0
- -2.4070 -0.0584 -0.0384 C 0 0 0
- -2.3439 2.3658 -0.1499 C 0 0 0
- 2.6987 1.0473 -0.1539 C 0 0 0
- 2.5579 -1.3518 -0.0425 C 0 0 0
- -1.6963 -1.3394 0.0238 C 0 0 0
- 0.4042 -2.5509 0.0502 C 0 0 0
- -3.8029 -0.0062 -0.0251 C 0 0 0
- -3.7071 2.3845 -0.1358 C 0 0 0
- 4.0754 0.9637 -0.1704 C 0 0 0
- 3.9340 -1.4266 -0.0600 C 0 0 0
- -2.3841 -2.5533 0.0916 C 0 0 0
- -0.2934 -3.7227 0.1163 C 0 0 0
- -4.4363 1.2029 -0.0731 C 0 0 0
- 4.6949 -0.2726 -0.1234 C 0 0 0
- -1.6827 -3.7248 0.1368 C 0 0 0
- -0.1268 3.2711 0.0000 H 0 0 0
- 2.6876 3.2095 0.0000 H 0 0 0
- -1.8083 3.2622 0.0000 H 0 0 0
- 1.9881 -2.2269 0.0000 H 0 0 0
- 1.4483 -2.5612 0.0000 H 0 0 0
- -4.3600 -0.8893 0.0000 H 0 0 0
- -4.2096 3.2998 0.0000 H 0 0 0
- 4.6507 1.8351 0.0000 H 0 0 0
- 4.4039 -2.3591 0.0000 H 0 0 0
- -3.4282 -2.5658 0.0000 H 0 0 0
- 0.2233 -4.6301 0.0000 H 0 0 0
- -5.4798 1.2396 0.0000 H 0 0 0
- 5.7373 -0.3344 0.0000 H 0 0 0
- -2.1969 -4.6336 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 17 22 2 0
- 19 23 2 0
- 7 8 1 0
- 7 11 1 0
- 9 13 1 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 3 24 1 0
- 7 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4802-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 1.8074 0.5555 0.2086 C 0 0 0
- 2.4388 -0.6701 -0.4546 C 0 0 0
- 2.6021 1.8067 -0.1705 C 0 0 0
- 0.3615 0.7056 -0.2689 C 0 0 0
- 4.1530 -0.8481 0.1115 S 0 0 0
- -0.4332 -0.5456 0.1101 C 0 0 0
- -0.2699 1.9313 0.3944 C 0 0 0
- -1.8790 -0.3955 -0.3674 C 0 0 0
- -1.7157 2.0814 -0.0831 C 0 0 0
- -2.8213 -1.8790 0.0820 S 0 0 0
- -2.5105 0.8301 0.2959 C 0 0 0
- -3.9563 0.9802 -0.1816 C 0 0 0
- 1.1925 -0.3447 0.0000 H 0 0 0
- 1.3918 -0.9742 0.0000 H 0 0 0
- 2.5363 -1.7559 0.0000 H 0 0 0
- 3.5224 1.2222 0.0000 H 0 0 0
- 3.1866 2.7270 0.0000 H 0 0 0
- 1.6818 2.3912 0.0000 H 0 0 0
- 0.9764 1.6058 0.0000 H 0 0 0
- 5.2374 -0.9607 0.0000 H 0 0 0
- -0.7109 -1.5998 0.0000 H 0 0 0
- 0.5659 -0.9819 0.0000 H 0 0 0
- 0.7771 2.2354 0.0000 H 0 0 0
- -0.3674 3.0171 0.0000 H 0 0 0
- -1.2641 0.5048 0.0000 H 0 0 0
- -1.4380 3.1356 0.0000 H 0 0 0
- -2.7148 2.5177 0.0000 H 0 0 0
- -3.4058 -2.7993 0.0000 H 0 0 0
- -3.1254 -0.0702 0.0000 H 0 0 0
- -3.8437 2.0646 0.0000 H 0 0 0
- -5.0407 1.0928 0.0000 H 0 0 0
- -4.0689 -0.1042 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 4 1 0
- 7 4 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 8 1 0
- 12 11 1 0
- 9 11 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4418-26-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -1.7804 0.4558 0.0214 C 0 0 0
- -2.5768 -0.5967 0.5520 C 0 0 0
- -0.5536 0.1238 -0.5904 C 0 0 0
- -2.2058 1.7857 0.0993 C 0 0 0
- -2.1006 -1.9102 0.4392 C 0 0 0
- -3.7582 -0.3378 1.1471 O 0 0 0
- -0.1663 -1.1528 -0.6603 O 0 0 0
- 0.2243 1.0903 -1.1027 O 0 0 0
- -1.9166 2.5981 1.3351 C 0 0 0
- -2.8678 2.3353 -0.9210 O 0 0 0
- -0.9114 -2.1452 -0.1630 C 0 0 0
- -0.4141 -3.5633 -0.2760 C 0 0 0
- 11.0798 0.3522 0.3291 Na 0 3 0
- -2.7139 -2.6251 0.0000 H 0 0 0
- -1.0292 2.2822 0.0000 H 0 0 0
- -1.6007 3.4855 0.0000 H 0 0 0
- -2.8040 2.9140 0.0000 H 0 0 0
- -1.3030 -3.8750 0.0000 H 0 0 0
- -0.1024 -4.4522 0.0000 H 0 0 0
- 0.4748 -3.2516 0.0000 H 0 0 0
- -4.6783 -0.1362 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 11 12 1 0
- 7 11 1 0
- 5 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 6 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-140460-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 45 1 V2000
- -1.9958 -0.1117 0.0996 C 0 0 0
- -2.6278 -1.4723 0.1349 C 0 0 2
- -0.5879 -0.0081 0.0634 C 0 0 0
- -2.7475 1.0197 0.1073 C 0 0 0
- -4.0717 -1.5488 -0.3219 C 0 0 1
- -3.7122 -1.5608 1.0612 O 0 0 0
- 0.0208 1.3230 0.0397 C 0 0 0
- 0.1818 -1.0924 0.0516 N 0 0 0
- -4.2520 0.9109 0.1385 C 0 0 1
- -2.1610 2.2872 0.0845 C 0 0 0
- -4.6957 -0.2368 -0.7673 C 0 0 1
- 1.4173 1.4298 0.0100 C 0 0 0
- -0.8132 2.4548 0.0492 C 0 0 0
- 1.5068 -1.0053 0.0250 C 0 0 0
- -4.6838 0.6603 1.4775 O 0 0 0
- -4.3117 0.0398 -2.1156 O 0 0 0
- 2.1599 0.2549 0.0057 C 0 0 0
- 2.3072 -2.2301 0.0157 C 0 0 0
- 3.6285 0.3034 -0.0185 C 0 0 0
- 3.6528 -2.1812 -0.0070 C 0 0 0
- 4.3589 -0.9037 -0.0217 C 0 0 0
- 4.3093 1.5221 -0.0377 C 0 0 0
- 5.7590 -0.8605 -0.0415 C 0 0 0
- 5.6857 1.5329 -0.0579 C 0 0 0
- 6.4024 0.3431 -0.0588 C 0 0 0
- -2.0290 -2.3314 0.0000 H 0 0 0
- -4.6457 -2.4247 0.0000 H 0 0 0
- -4.5605 1.9116 0.0000 H 0 0 0
- -2.7784 3.1330 0.0000 H 0 0 0
- -5.7422 -0.2761 0.0000 H 0 0 0
- 1.8873 2.3656 0.0000 H 0 0 0
- -0.3996 3.4169 0.0000 H 0 0 0
- -5.5895 0.1346 0.0000 H 0 0 0
- -3.4620 0.6519 0.0000 H 0 0 0
- 1.8256 -3.1600 0.0000 H 0 0 0
- 4.2011 -3.0734 0.0000 H 0 0 0
- 3.7757 2.4232 0.0000 H 0 0 0
- 6.3111 -1.7503 0.0000 H 0 0 0
- 6.1973 2.4467 0.0000 H 0 0 0
- 7.4493 0.3699 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 19 22 1 0
- 21 23 1 0
- 22 24 2 0
- 23 25 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 20 21 1 0
- 24 25 1 0
- 2 26 1 0
- 5 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 18 35 1 0
- 20 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
- 25 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-928-73-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.0305 0.0206 0.0000 N 0 0 0
- -1.0837 0.6931 0.0000 C 0 0 0
- 1.2572 0.6973 0.0000 N 0 0 0
- -2.3663 -0.0145 0.0000 C 0 0 0
- 2.4110 0.0009 0.0000 C 0 0 0
- -2.3900 -1.2302 0.0000 O 0 0 0
- -3.5211 0.6825 0.0000 O 0 0 0
- 2.3848 -1.3466 0.0000 N 0 0 0
- 3.4753 0.5880 0.0000 O 0 0 0
- -1.0640 1.7037 0.0000 H 0 0 0
- 1.2769 1.7079 0.0000 H 0 0 0
- -4.3865 1.2048 0.0000 H 0 0 0
- 1.4998 -1.8349 0.0000 H 0 0 0
- 3.2502 -1.8689 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 5 2 0
- 2 10 1 0
- 3 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3626-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 81 1 V2000
- -6.8354 -0.4044 0.0224 N 0 0 0
- -7.2987 -1.6070 -0.0324 N 0 0 0
- -5.4933 -0.1896 -0.0288 C 0 0 0
- -8.6444 -1.8224 0.0190 C 0 0 0
- -4.9631 1.1718 0.0329 C 0 0 0
- -4.6155 -1.2647 -0.1347 C 0 0 0
- -9.1460 -3.1230 -0.0403 C 0 0 0
- -9.5243 -0.7374 0.1372 C 0 0 0
- -3.5631 1.3655 -0.0220 C 0 0 0
- -5.8086 2.2818 0.1443 C 0 0 0
- -3.2494 -1.0761 -0.1882 C 0 0 0
- -10.5221 -3.3359 0.0127 C 0 0 0
- -10.8828 -0.9497 0.1894 C 0 0 0
- -2.6899 0.1980 -0.1389 C 0 0 0
- -3.0442 2.6641 0.0358 C 0 0 0
- -5.2720 3.5346 0.1984 C 0 0 0
- -11.0615 -4.7069 -0.0488 C 0 0 0
- -11.3932 -2.2406 0.1253 C 0 0 0
- -1.3409 0.3553 -0.1936 N 0 0 0
- -3.8944 3.7251 0.1443 C 0 0 0
- -6.3375 4.9310 0.3380 S 0 0 0
- -12.2495 -4.9003 0.1168 O 0 0 0
- -10.2368 -5.7452 -0.2885 O 0 0 0
- -12.7323 -2.4427 0.1767 O 0 0 0
- -0.5747 -0.6773 -0.2967 N 0 0 0
- -5.6619 5.9987 -0.3122 O 0 0 0
- -7.6372 4.4592 0.0103 O 0 0 0
- -6.3954 5.3138 1.8100 O 0 0 0
- 0.7781 -0.5195 -0.3517 C 0 0 0
- 1.6104 -1.6396 -0.4635 C 0 0 0
- 1.3368 0.7636 -0.3021 C 0 0 0
- 2.9658 -1.4795 -0.5189 C 0 0 0
- 2.6923 0.9197 -0.3578 C 0 0 0
- 3.5214 -0.1995 -0.4640 C 0 0 0
- 4.9909 -0.0281 -0.5237 C 0 0 0
- 5.5412 1.0241 -1.2588 C 0 0 0
- 5.8251 -0.9153 0.1597 C 0 0 0
- 6.9073 1.1822 -1.3134 C 0 0 0
- 7.1809 -0.7609 0.1073 C 0 0 0
- 7.7395 0.2875 -0.6318 C 0 0 0
- 9.0952 0.4408 -0.6834 N 0 0 0
- 9.8619 -0.3845 -0.0547 N 0 0 0
- 11.2175 -0.2312 -0.1062 C 0 0 0
- 12.0466 -1.1231 0.5732 C 0 0 0
- 11.7765 0.8189 -0.8466 C 0 0 0
- 13.4298 -0.9615 0.5162 C 0 0 0
- 13.1425 0.9773 -0.9021 C 0 0 0
- 14.3144 -1.8998 1.2310 C 0 0 0
- 13.9777 0.0977 -0.2246 C 0 0 0
- 15.5102 -1.6902 1.2794 O 0 0 0
- 13.7966 -2.9898 1.8306 O 0 0 0
- 15.3221 0.2594 -0.2827 O 0 0 0
- -4.9898 -2.2171 0.0000 H 0 0 0
- -8.5040 -3.9199 0.0000 H 0 0 0
- -9.1569 0.2177 0.0000 H 0 0 0
- -6.8242 2.1561 0.0000 H 0 0 0
- -2.6324 -1.8926 0.0000 H 0 0 0
- -11.5220 -0.1505 0.0000 H 0 0 0
- -2.0320 2.8147 0.0000 H 0 0 0
- -3.5158 4.6759 0.0000 H 0 0 0
- -9.6003 -6.5465 0.0000 H 0 0 0
- -13.7442 -2.5954 0.0000 H 0 0 0
- -6.5484 6.3256 0.0000 H 0 0 0
- 1.2052 -2.5793 0.0000 H 0 0 0
- 0.7278 1.5860 0.0000 H 0 0 0
- 3.5765 -2.3007 0.0000 H 0 0 0
- 3.0995 1.8585 0.0000 H 0 0 0
- 4.9616 1.8675 0.0000 H 0 0 0
- 5.4729 -1.8761 0.0000 H 0 0 0
- 7.2613 2.1424 0.0000 H 0 0 0
- 7.7565 -1.6070 0.0000 H 0 0 0
- 11.6930 -2.0834 0.0000 H 0 0 0
- 11.1999 1.6643 0.0000 H 0 0 0
- 13.4914 1.9393 0.0000 H 0 0 0
- 13.3575 -3.9141 0.0000 H 0 0 0
- 16.3381 0.3816 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 8 2 0
- 14 9 2 0
- 15 9 1 0
- 16 10 2 0
- 17 12 1 0
- 18 12 2 0
- 19 14 1 0
- 20 15 2 0
- 21 16 1 0
- 22 17 2 0
- 23 17 1 0
- 24 18 1 0
- 25 19 2 0
- 26 21 2 0
- 27 21 2 0
- 28 21 1 0
- 29 25 1 0
- 30 29 2 0
- 31 29 1 0
- 32 30 1 0
- 33 31 2 0
- 34 32 2 0
- 35 34 1 0
- 36 35 2 0
- 37 35 1 0
- 38 36 1 0
- 39 37 2 0
- 40 38 2 0
- 41 40 1 0
- 42 41 2 0
- 43 42 1 0
- 44 43 2 0
- 45 43 1 0
- 46 44 1 0
- 47 45 2 0
- 48 46 1 0
- 49 46 2 0
- 50 48 2 0
- 51 48 1 0
- 52 49 1 0
- 11 14 1 0
- 13 18 1 0
- 16 20 1 0
- 33 34 1 0
- 39 40 1 0
- 47 49 1 0
- 6 53 1 0
- 7 54 1 0
- 8 55 1 0
- 10 56 1 0
- 11 57 1 0
- 13 58 1 0
- 15 59 1 0
- 20 60 1 0
- 23 61 1 0
- 24 62 1 0
- 28 63 1 0
- 30 64 1 0
- 31 65 1 0
- 32 66 1 0
- 33 67 1 0
- 36 68 1 0
- 37 69 1 0
- 38 70 1 0
- 39 71 1 0
- 44 72 1 0
- 45 73 1 0
- 47 74 1 0
- 51 75 1 0
- 52 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95741-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.0775 0.7132 0.0051 C 0 0 0
- -0.0775 -0.7135 0.0037 C 0 0 0
- 1.3305 1.1602 0.0032 C 0 0 0
- -1.2709 1.4057 0.0027 C 0 0 0
- 1.3306 -1.1603 0.0009 C 0 0 0
- -1.2710 -1.4059 0.0041 C 0 0 0
- 2.1120 0.0000 0.0005 C 0 0 0
- 2.0042 2.3693 0.0028 C 0 0 0
- -2.4889 0.7095 -0.0028 C 0 0 0
- -1.2660 2.9127 0.0066 C 0 0 0
- 2.0048 -2.3693 -0.0012 C 0 0 0
- -2.4889 -0.7096 0.0036 C 0 0 0
- -1.2662 -2.9129 0.0045 C 0 0 0
- 3.5098 0.0001 -0.0031 C 0 0 0
- 3.3985 2.3864 -0.0001 C 0 0 0
- -3.7154 1.3976 -0.0074 C 0 0 0
- 3.3990 -2.3862 -0.0041 C 0 0 0
- -3.7156 -1.3976 0.0022 C 0 0 0
- 4.1564 1.2480 -0.0041 C 0 0 0
- 4.1567 -1.2475 -0.0050 C 0 0 0
- -4.8823 0.6970 -0.0131 C 0 0 0
- -4.8823 -0.6967 0.0009 C 0 0 0
- 1.4672 3.2706 0.0000 H 0 0 0
- -0.2169 2.9093 0.0000 H 0 0 0
- -1.2626 3.9618 0.0000 H 0 0 0
- -2.3151 2.9161 0.0000 H 0 0 0
- 1.4680 -3.2707 0.0000 H 0 0 0
- -2.3153 -2.9162 0.0000 H 0 0 0
- -1.2629 -3.9620 0.0000 H 0 0 0
- -0.2171 -2.9096 0.0000 H 0 0 0
- 3.8882 3.3143 0.0000 H 0 0 0
- -3.7308 2.4466 0.0000 H 0 0 0
- 3.8888 -3.3140 0.0000 H 0 0 0
- -3.7313 -2.4466 0.0000 H 0 0 0
- 5.2040 1.3053 0.0000 H 0 0 0
- 5.2043 -1.3045 0.0000 H 0 0 0
- -5.7953 1.2138 0.0000 H 0 0 0
- -5.7954 -1.2134 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 1 0
- 16 21 2 0
- 18 22 2 0
- 5 7 1 0
- 9 12 1 0
- 15 19 2 0
- 17 20 2 0
- 21 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61422-45-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- -1.4586 -0.4590 -0.0035 N 0 0 0
- -2.5455 -1.2520 -0.0016 C 0 0 0
- -1.5919 0.9111 -0.0029 C 0 0 0
- -0.2289 -1.0106 -0.0003 C 0 0 0
- -3.7850 -0.7279 0.0005 N 0 0 0
- -2.4058 -2.4595 -0.0021 O 0 0 0
- -2.8237 1.4607 -0.0004 C 0 0 0
- 0.8637 -0.2215 -0.0022 N 0 0 0
- -0.1053 -2.2195 0.0043 O 0 0 0
- -3.9593 0.6089 0.0011 C 0 0 0
- -2.9746 2.8032 0.0006 F 0 0 0
- 2.2003 -0.8211 0.0013 C 0 0 0
- -5.0813 1.0817 0.0033 O 0 0 0
- 3.2561 0.2863 -0.0018 C 0 0 0
- 4.6520 -0.3400 0.0018 C 0 0 0
- 5.7078 0.7674 -0.0013 C 0 0 0
- 7.1037 0.1412 0.0023 C 0 0 0
- 8.1595 1.2486 -0.0007 C 0 0 0
- -0.7703 1.5027 0.0000 H 0 0 0
- -4.5908 -1.3408 0.0000 H 0 0 0
- 0.7607 0.7857 0.0000 H 0 0 0
- 1.6841 -1.6921 0.0000 H 0 0 0
- 3.0073 -1.4324 0.0000 H 0 0 0
- 3.7723 1.1573 0.0000 H 0 0 0
- 2.4491 0.8976 0.0000 H 0 0 0
- 4.1358 -1.2110 0.0000 H 0 0 0
- 5.4590 -0.9513 0.0000 H 0 0 0
- 6.2240 1.6384 0.0000 H 0 0 0
- 4.9008 1.3787 0.0000 H 0 0 0
- 6.5875 -0.7298 0.0000 H 0 0 0
- 7.9107 -0.4701 0.0000 H 0 0 0
- 8.8923 0.5500 0.0000 H 0 0 0
- 8.8581 1.9814 0.0000 H 0 0 0
- 7.4267 1.9472 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 7 10 1 0
- 3 19 1 0
- 5 20 1 0
- 8 21 1 0
- 12 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-542-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.0000 -0.6796 0.0001 C 0 0 0
- -1.1573 0.1905 0.4178 C 0 0 0
- 1.1573 0.1904 -0.4179 C 0 0 0
- -2.2126 0.1121 -0.1641 O 0 0 0
- 2.2126 0.1121 0.1640 O 0 0 0
- -0.6326 -1.3745 0.0000 H 0 0 0
- 0.6326 -1.3746 0.0000 H 0 0 0
- -0.8928 1.0923 0.0000 H 0 0 0
- 0.8928 1.0922 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 3 5 2 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.0000 -0.9774 0.0000 C 0 0 0
- -1.2019 -0.1276 0.0000 C 0 0 0
- 1.2019 -0.1276 0.0000 C 0 0 0
- -2.1294 0.5283 0.0000 N 0 0 0
- 2.1294 0.5283 0.0000 N 0 0 0
- -0.6513 -1.7070 0.0000 H 0 0 0
- 0.6513 -1.7070 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 3 0
- 3 5 3 0
- 1 6 1 0
- 1 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.0082 -0.0524 -0.0114 C 0 0 0
- -0.2502 -0.6201 0.0331 C 0 0 0
- 1.1435 1.3280 -0.0843 C 0 0 0
- 2.2114 -0.9139 0.0248 N 0 3 0
- -1.3745 0.1842 0.0051 C 0 0 0
- 0.0116 2.1332 -0.1123 C 0 0 0
- 2.4145 1.9054 -0.1290 N 0 0 0
- 2.3479 -1.8041 -0.7952 O 0 0 0
- 3.0650 -0.7325 0.8745 O 0 5 0
- -1.2434 1.5591 -0.0675 C 0 0 0
- -2.7215 -0.4277 0.0525 N 0 3 0
- -3.7128 0.2795 0.0279 O 0 0 0
- -2.8385 -1.6384 0.1160 O 0 5 0
- -0.3522 -1.6509 0.0000 H 0 0 0
- 0.1095 3.1644 0.0000 H 0 0 0
- 3.2571 1.3029 0.0000 H 0 0 0
- 2.5150 2.9364 0.0000 H 0 0 0
- -2.0874 2.1596 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52547-00-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -2.6611 -1.3201 -0.0755 C 0 0 0
- -3.5356 -0.3467 -0.5012 C 0 0 0
- -1.5586 -0.9588 0.5339 N 0 0 0
- -2.9691 -2.7780 -0.3009 C 0 0 0
- -3.1732 0.9484 -0.2470 C 0 0 0
- -1.6536 0.7471 0.5610 S 0 0 0
- -3.8508 2.1238 -0.5570 N 0 0 0
- 7.8136 0.0485 -0.1173 Cl 0 0 0
- -4.5265 -0.5782 0.0000 H 0 0 0
- -3.9647 -2.5677 0.0000 H 0 0 0
- -3.1794 -3.7736 0.0000 H 0 0 0
- -1.9735 -2.9883 0.0000 H 0 0 0
- -3.3415 3.0047 0.0000 H 0 0 0
- -4.8683 2.1245 0.0000 H 0 0 0
- 8.8311 0.0485 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 5 6 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-46-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 52 1 V2000
- -5.3873 -0.1292 -0.4069 C 0 0 0
- -5.4015 -1.2875 0.4106 C 0 0 0
- -4.4526 0.8860 -0.1490 C 0 0 0
- -6.3141 -0.0157 -1.4581 C 0 0 0
- -4.4803 -1.4029 1.4661 C 0 0 0
- -6.3384 -2.3020 0.1498 C 0 0 0
- -3.5637 0.7411 0.8942 C 0 0 0
- -7.2103 -1.0163 -1.6768 C 0 0 0
- -3.5845 -0.4067 1.6958 C 0 0 0
- -7.2168 -2.1600 -0.8802 C 0 0 0
- -2.6326 1.7485 1.1538 N 0 0 0
- -1.3567 1.6866 0.5816 C 0 0 0
- -0.3807 2.5990 0.9608 C 0 0 0
- -1.0649 0.7090 -0.3612 C 0 0 0
- 0.8782 2.5376 0.3967 C 0 0 0
- 0.1935 0.6476 -0.9251 C 0 0 0
- 1.1683 1.5635 -0.5497 C 0 0 0
- 2.4444 1.5013 -1.1215 N 0 0 0
- 3.4229 0.6805 -0.5573 C 0 0 0
- 4.6208 0.4973 -1.2135 C 0 0 0
- 3.1793 0.0566 0.6723 C 0 0 0
- 5.6024 -0.3284 -0.6427 C 0 0 0
- 4.1141 -0.7472 1.2448 C 0 0 0
- 5.3449 -0.9604 0.6000 C 0 0 0
- 6.8372 -0.5399 -1.2811 C 0 0 0
- 6.3297 -1.7859 1.1690 C 0 0 0
- 7.7666 -1.3461 -0.6996 C 0 0 0
- 7.5134 -1.9674 0.5221 C 0 0 0
- -4.7564 1.7658 0.0000 H 0 0 0
- -6.6413 0.8556 0.0000 H 0 0 0
- -4.1551 -2.2750 0.0000 H 0 0 0
- -6.0347 -3.1818 0.0000 H 0 0 0
- -8.0787 -0.6814 0.0000 H 0 0 0
- -2.7185 -0.7478 0.0000 H 0 0 0
- -7.9272 -2.7613 0.0000 H 0 0 0
- -2.9848 2.6100 0.0000 H 0 0 0
- -0.7012 3.4728 0.0000 H 0 0 0
- -1.6390 -0.0236 0.0000 H 0 0 0
- 1.4526 3.2700 0.0000 H 0 0 0
- 0.5151 -0.2258 0.0000 H 0 0 0
- 2.7839 2.3679 0.0000 H 0 0 0
- 5.0050 1.3450 0.0000 H 0 0 0
- 2.2762 -0.1684 0.0000 H 0 0 0
- 3.7169 -1.5890 0.0000 H 0 0 0
- 7.2354 0.3014 0.0000 H 0 0 0
- 5.9460 -2.6339 0.0000 H 0 0 0
- 8.6718 -1.1297 0.0000 H 0 0 0
- 7.9725 -2.7770 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 22 25 1 0
- 24 26 1 0
- 25 27 2 0
- 26 28 2 0
- 7 9 2 0
- 8 10 1 0
- 16 17 1 0
- 23 24 2 0
- 27 28 1 0
- 3 29 1 0
- 4 30 1 0
- 5 31 1 0
- 6 32 1 0
- 8 33 1 0
- 9 34 1 0
- 10 35 1 0
- 11 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 18 41 1 0
- 20 42 1 0
- 21 43 1 0
- 23 44 1 0
- 25 45 1 0
- 26 46 1 0
- 27 47 1 0
- 28 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64188-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.3148 1.1006 1.0904 C 0 0 0
- -0.7265 -0.3782 1.1505 C 0 0 0
- -1.2178 0.5136 0.0915 N 0 0 0
- 1.0014 1.4426 0.4337 C 0 0 0
- 0.2100 -1.3986 0.5485 C 0 0 0
- -2.5809 0.9085 0.4709 C 0 0 0
- 1.8016 0.4357 -0.0942 C 0 0 0
- 1.4042 2.7611 0.3620 C 0 0 0
- 1.4034 -0.9920 -0.0375 C 0 0 0
- -0.1274 -2.7368 0.5839 C 0 0 0
- -3.5784 0.3274 -0.5332 C 0 0 0
- 3.0162 0.7740 -0.6975 C 0 0 0
- 2.6074 3.0879 -0.2365 C 0 0 0
- 2.2556 -1.9526 -0.5891 C 0 0 0
- 0.7211 -3.6814 0.0361 C 0 0 0
- -4.9981 0.7387 -0.1381 C 0 0 0
- 3.4107 2.0931 -0.7648 C 0 0 0
- 1.9108 -3.2868 -0.5495 C 0 0 0
- -5.9956 0.1576 -1.1422 C 0 0 0
- -0.7037 1.9825 0.0000 H 0 0 0
- -1.5093 -0.9406 0.0000 H 0 0 0
- -2.0889 1.7373 0.0000 H 0 0 0
- -3.2596 1.5929 0.0000 H 0 0 0
- 0.7334 3.4532 0.0000 H 0 0 0
- -1.0631 -2.9682 0.0000 H 0 0 0
- -4.0704 -0.5014 0.0000 H 0 0 0
- -2.8997 -0.3570 0.0000 H 0 0 0
- 3.6913 0.0860 0.0000 H 0 0 0
- 2.9043 4.0049 0.0000 H 0 0 0
- 3.1926 -1.7269 0.0000 H 0 0 0
- 0.4739 -4.6130 0.0000 H 0 0 0
- -4.5061 1.5675 0.0000 H 0 0 0
- -5.6768 1.4231 0.0000 H 0 0 0
- 4.3564 2.2792 0.0000 H 0 0 0
- 2.6149 -3.9450 0.0000 H 0 0 0
- -6.4808 0.9904 0.0000 H 0 0 0
- -6.8284 -0.3276 0.0000 H 0 0 0
- -5.5104 -0.6752 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 2 0
- 14 18 2 0
- 16 19 1 0
- 2 3 1 0
- 7 9 1 0
- 13 17 1 0
- 15 18 1 0
- 1 20 1 0
- 2 21 1 0
- 6 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-434-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 70 1 V2000
- 0.1989 -0.9610 0.4111 C 0 0 1
- 1.4053 -0.9162 -0.5074 C 0 0 1
- -0.6716 0.2787 0.0698 C 0 0 1
- -0.7858 -2.1083 0.1601 C 0 0 0
- 2.2129 0.3379 -0.1386 C 0 0 1
- 2.2793 -2.1539 -0.2997 C 0 0 0
- -1.9978 -0.0245 0.7591 C 0 0 2
- 0.0780 1.5025 0.5581 C 0 0 0
- -0.8804 0.3666 -1.4433 C 0 0 0
- -2.1088 -1.5697 0.7703 C 0 0 0
- 3.4396 0.4302 -1.0471 C 0 0 2
- 1.3729 1.6040 -0.2657 C 0 0 0
- 3.5131 -2.0632 -1.2002 C 0 0 0
- -3.1462 0.5633 -0.0635 C 0 0 1
- 4.3146 -0.8092 -0.8453 C 0 0 2
- 4.2431 1.6835 -0.6935 C 0 0 0
- 2.9892 0.5051 -2.5073 C 0 0 0
- -4.4737 -0.0204 0.4243 C 0 0 0
- -3.1660 2.0841 0.1026 C 0 0 0
- 4.7587 -0.8853 0.6170 C 0 0 0
- 4.6872 1.6075 0.7687 C 0 0 0
- -5.6221 0.5674 -0.3983 C 0 0 0
- 5.5606 0.3681 0.9730 C 0 0 1
- -6.9297 -0.0074 0.0821 C 0 0 0
- 5.9744 0.2968 2.3389 O 0 0 0
- -8.0808 0.3670 -0.4978 O 0 0 0
- -6.9418 -0.8054 0.9893 O 0 0 0
- 0.6642 -1.9260 0.0000 H 0 0 0
- 0.8750 0.0146 0.0000 H 0 0 0
- -1.2939 -3.0514 0.0000 H 0 0 0
- 0.0973 -2.7147 0.0000 H 0 0 0
- 2.7608 -0.5827 0.0000 H 0 0 0
- 1.3075 -2.6047 0.0000 H 0 0 0
- 2.5484 -3.1909 0.0000 H 0 0 0
- -1.8651 1.0386 0.0000 H 0 0 0
- 0.2180 2.5646 0.0000 H 0 0 0
- -0.9319 1.8601 0.0000 H 0 0 0
- -0.4647 1.3540 0.0000 H 0 0 0
- -1.8678 0.7823 0.0000 H 0 0 0
- -1.2961 -0.6208 0.0000 H 0 0 0
- -3.1634 -1.3814 0.0000 H 0 0 0
- -2.4066 -2.5988 0.0000 H 0 0 0
- 2.3526 2.0375 0.0000 H 0 0 0
- 1.1105 2.6427 0.0000 H 0 0 0
- 3.3629 -3.1239 0.0000 H 0 0 0
- 4.5177 -2.4353 0.0000 H 0 0 0
- -3.1777 -0.5075 0.0000 H 0 0 0
- 4.8863 0.0968 0.0000 H 0 0 0
- 4.5628 2.7060 0.0000 H 0 0 0
- 3.2723 2.1365 0.0000 H 0 0 0
- 3.1649 1.5619 0.0000 H 0 0 0
- 1.9324 0.6808 0.0000 H 0 0 0
- 2.8135 -0.5517 0.0000 H 0 0 0
- -5.1646 -0.8392 0.0000 H 0 0 0
- -3.8321 -0.8784 0.0000 H 0 0 0
- -2.0948 2.0980 0.0000 H 0 0 0
- -3.1799 3.1553 0.0000 H 0 0 0
- -4.2372 2.0702 0.0000 H 0 0 0
- 4.4392 -1.9078 0.0000 H 0 0 0
- 5.7298 -1.3377 0.0000 H 0 0 0
- 5.6925 1.9776 0.0000 H 0 0 0
- 4.5892 2.6743 0.0000 H 0 0 0
- -4.9312 1.3861 0.0000 H 0 0 0
- -6.2636 1.4254 0.0000 H 0 0 0
- 6.1331 1.2736 0.0000 H 0 0 0
- 7.0301 0.1149 0.0000 H 0 0 0
- -9.0996 0.6984 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 11 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 1 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 7 10 1 0
- 8 12 1 0
- 13 15 1 0
- 21 23 1 0
- 1 28 1 0
- 2 29 1 0
- 4 30 1 0
- 4 31 1 0
- 5 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 19 58 1 0
- 20 59 1 0
- 20 60 1 0
- 21 61 1 0
- 21 62 1 0
- 22 63 1 0
- 22 64 1 0
- 23 65 1 0
- 25 66 1 0
- 26 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-384-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.1265 0.7256 0.0020 C 0 0 0
- -0.9827 -0.3594 0.0013 C 0 0 0
- 1.3648 0.5085 0.0008 C 0 0 0
- -0.6381 2.0100 -0.0018 C 0 0 0
- -0.4350 -1.7345 -0.0008 N 0 3 0
- -2.3509 -0.1602 0.0029 C 0 0 0
- 2.0162 1.7466 0.0018 F 0 0 0
- 1.7321 -0.2126 1.1419 F 0 0 0
- 1.7305 -0.2099 -1.1426 F 0 0 0
- -2.0058 2.2091 -0.0064 C 0 0 0
- -1.1896 -2.6906 -0.0015 O 0 0 0
- 0.7703 -1.9099 -0.0019 O 0 5 0
- -2.8624 1.1238 0.0049 C 0 0 0
- 0.0041 2.8237 0.0000 H 0 0 0
- -2.9931 -0.9739 0.0000 H 0 0 0
- -2.3894 3.1721 0.0000 H 0 0 0
- -3.8882 1.2731 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 10 13 1 0
- 4 14 1 0
- 6 15 1 0
- 10 16 1 0
- 13 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2438-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.1425 0.0002 0.0005 C 0 0 0
- -0.4530 -1.1986 0.0351 C 0 0 0
- -0.4523 1.1990 0.0359 C 0 0 0
- -2.6205 0.0005 -0.0806 N 0 3 0
- 0.9291 -1.2014 0.1052 C 0 0 0
- -1.3223 -2.7007 -0.0088 Cl 0 0 0
- 0.9295 1.2010 0.1055 C 0 0 0
- -1.3208 2.7015 -0.0076 Cl 0 0 0
- -3.2864 -0.0022 0.9392 O 0 0 0
- -3.1708 0.0036 -1.1672 O 0 5 0
- 1.6233 -0.0005 0.1407 C 0 0 0
- 1.7936 -2.7062 0.1491 Cl 0 0 0
- 1.7948 2.7054 0.1487 Cl 0 0 0
- 2.9810 -0.0009 0.2100 O 0 0 0
- 3.4632 -0.0008 -1.1352 C 0 0 0
- 3.4634 -1.0383 0.0000 H 0 0 0
- 4.5007 -0.0006 0.0000 H 0 0 0
- 3.4630 1.0367 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 11 14 1 0
- 14 15 1 0
- 7 11 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7422-80-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 0.0000 -0.1681 -0.2799 N 0 0 0
- -1.1786 0.5684 0.1960 C 0 0 0
- 1.1786 0.5684 0.1960 C 0 0 0
- 0.0000 -1.4476 0.4107 N 0 0 0
- -2.4488 -0.1480 -0.2669 C 0 0 0
- 2.4488 -0.1480 -0.2669 C 0 0 0
- -3.6763 0.6192 0.2287 C 0 0 0
- 3.6763 0.6192 0.2287 C 0 0 0
- -4.9465 -0.0972 -0.2341 C 0 0 0
- 4.9465 -0.0972 -0.2341 C 0 0 0
- -0.4589 1.3812 0.0000 H 0 0 0
- -1.8611 1.4127 0.0000 H 0 0 0
- 1.8611 1.4127 0.0000 H 0 0 0
- 0.4589 1.3812 0.0000 H 0 0 0
- -0.9402 -1.9904 0.0000 H 0 0 0
- 0.9402 -1.9904 0.0000 H 0 0 0
- -3.1686 -0.9607 0.0000 H 0 0 0
- -1.7664 -0.9923 0.0000 H 0 0 0
- 1.7664 -0.9923 0.0000 H 0 0 0
- 3.1686 -0.9607 0.0000 H 0 0 0
- -2.9565 1.4319 0.0000 H 0 0 0
- -4.3587 1.4635 0.0000 H 0 0 0
- 4.3587 1.4635 0.0000 H 0 0 0
- 2.9565 1.4319 0.0000 H 0 0 0
- -5.4798 0.8484 0.0000 H 0 0 0
- -5.8921 -0.6305 0.0000 H 0 0 0
- -4.4132 -1.0428 0.0000 H 0 0 0
- 4.4132 -1.0428 0.0000 H 0 0 0
- 5.8921 -0.6305 0.0000 H 0 0 0
- 5.4798 0.8484 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-113600-15-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.2095 0.6283 0.0061 C 0 0 0
- 0.3012 -0.7955 0.0034 C 0 0 0
- 1.5859 1.1649 0.0038 C 0 0 0
- -1.0259 1.2427 0.0051 C 0 0 0
- 1.7351 -1.1509 -0.0004 C 0 0 0
- -0.8455 -1.5631 0.0042 C 0 0 0
- 2.4403 0.0572 0.0000 C 0 0 0
- 2.1806 2.4148 0.0041 C 0 0 0
- -2.1968 0.4696 0.0003 C 0 0 0
- 2.4854 -2.3140 -0.0039 C 0 0 0
- -2.1056 -0.9466 0.0066 C 0 0 0
- 3.8352 0.1472 -0.0025 C 0 0 0
- 3.5708 2.5215 0.0006 C 0 0 0
- -3.4645 1.0780 -0.0028 C 0 0 0
- 3.8779 -2.2413 -0.0069 C 0 0 0
- -3.2852 -1.7128 0.0064 C 0 0 0
- 4.4003 1.4340 -0.0016 C 0 0 0
- 4.5609 -1.0563 -0.0060 C 0 0 0
- -4.5858 0.3028 -0.0077 C 0 0 0
- -4.4950 -1.0902 0.0076 C 0 0 0
- -5.8020 0.8910 -0.0105 F 0 0 0
- -1.0898 2.2891 0.0000 H 0 0 0
- -0.7749 -2.6091 0.0000 H 0 0 0
- 1.5872 3.2791 0.0000 H 0 0 0
- 2.0079 -3.2473 0.0000 H 0 0 0
- 3.9995 3.4782 0.0000 H 0 0 0
- -3.5469 2.1231 0.0000 H 0 0 0
- 4.4259 -3.1350 0.0000 H 0 0 0
- -3.2324 -2.7598 0.0000 H 0 0 0
- 5.4412 1.5584 0.0000 H 0 0 0
- 5.6092 -1.0459 0.0000 H 0 0 0
- -5.3717 -1.6650 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 19 21 1 0
- 5 7 1 0
- 9 11 1 0
- 13 17 2 0
- 15 18 2 0
- 19 20 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-90-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.2076 -0.0257 0.0384 C 0 0 0
- -1.6539 -1.2487 -0.2900 C 0 0 0
- -1.4062 0.9843 0.5376 C 0 0 0
- -3.6576 0.2048 -0.1499 N 0 3 0
- -0.2986 -1.4622 -0.1195 C 0 0 0
- -0.0513 0.7709 0.7081 C 0 0 0
- -4.1455 1.2826 0.1396 O 0 0 0
- -4.3627 -0.6833 -0.5943 O 0 5 0
- 0.5026 -0.4525 0.3794 C 0 0 0
- 1.9799 -0.6850 0.5648 C 0 0 0
- 2.7244 0.2656 -0.2417 O 0 0 0
- 4.0665 0.2457 -0.2346 C 0 0 0
- 4.8392 1.2323 -1.0717 C 0 0 0
- 4.6551 -0.5631 0.4430 O 0 0 0
- -2.2519 -2.0337 0.0000 H 0 0 0
- -1.7648 1.9037 0.0000 H 0 0 0
- 0.0600 -2.3816 0.0000 H 0 0 0
- 0.5467 1.5559 0.0000 H 0 0 0
- 1.6643 -1.6200 0.0000 H 0 0 0
- 2.8483 -1.1538 0.0000 H 0 0 0
- 5.6161 0.6238 0.0000 H 0 0 0
- 5.4477 2.0092 0.0000 H 0 0 0
- 4.0623 1.8408 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 9 1 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 10 19 1 0
- 10 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-75-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 60 1 V2000
- -0.5038 0.3270 -0.2465 C 0 0 1
- -1.9611 -0.1134 -0.3995 C 0 0 1
- 0.3846 -0.5887 -1.0485 C 0 0 0
- -0.3566 1.6887 -0.7288 O 0 0 0
- -2.1278 -1.4294 0.2035 N 0 0 0
- -2.8690 0.9201 0.2662 C 0 0 0
- 1.6139 -1.0392 -0.5316 C 0 0 0
- 0.0166 -1.0092 -2.2951 C 0 0 0
- 0.5777 2.4948 -0.1929 C 0 0 0
- -3.5066 -1.8715 0.0466 C 0 0 0
- -1.7827 -1.3701 1.6171 C 0 0 0
- -3.6766 0.2290 1.3740 C 0 0 1
- 2.4174 -1.8995 -1.3211 C 0 0 0
- 2.0545 -0.6538 0.7441 C 0 0 0
- 0.8537 -1.8556 -3.0183 C 0 0 0
- 0.7141 3.7564 -0.6397 O 0 0 0
- 1.2979 2.0836 0.6942 O 0 0 0
- -4.4788 -0.9127 0.7336 C 0 0 1
- -2.6841 -0.3903 2.3681 C 0 0 0
- 3.6464 -2.3517 -0.8080 C 0 0 0
- 2.0008 -2.2684 -2.5363 N 0 0 0
- 3.2536 -1.1127 1.2105 C 0 0 0
- 1.7225 4.6264 -0.0613 C 0 0 0
- -5.4314 -0.3462 -0.2875 C 0 0 0
- 4.0467 -1.9609 0.4312 C 0 0 0
- 3.6813 -0.7398 2.4453 O 0 0 0
- 1.6671 5.9949 -0.7431 C 0 0 0
- -6.7203 -0.5431 -0.1610 C 0 0 0
- 4.9479 -1.3686 2.6511 C 0 0 0
- 0.3986 0.6374 0.0000 H 0 0 0
- -2.8735 -0.3930 0.0000 H 0 0 0
- -2.1493 1.5468 0.0000 H 0 0 0
- -3.4926 1.6425 0.0000 H 0 0 0
- -0.9373 -1.0383 0.0000 H 0 0 0
- -4.2768 -2.4350 0.0000 H 0 0 0
- -3.0736 -2.7219 0.0000 H 0 0 0
- -1.4453 -2.2628 0.0000 H 0 0 0
- -0.9704 -0.8692 0.0000 H 0 0 0
- -4.3828 0.8709 0.0000 H 0 0 0
- 1.8869 0.2857 0.0000 H 0 0 0
- 0.3402 -2.6600 0.0000 H 0 0 0
- -5.0620 -1.6681 0.0000 H 0 0 0
- -1.7753 -0.0993 0.0000 H 0 0 0
- -2.5661 0.5567 0.0000 H 0 0 0
- 3.8457 -3.2849 0.0000 H 0 0 0
- 2.1700 3.7835 0.0000 H 0 0 0
- 2.6437 4.8757 0.0000 H 0 0 0
- -5.2489 0.5905 0.0000 H 0 0 0
- 5.0007 -1.9826 0.0000 H 0 0 0
- 2.6206 6.0335 0.0000 H 0 0 0
- 1.6285 6.9484 0.0000 H 0 0 0
- 0.7136 5.9563 0.0000 H 0 0 0
- -7.3168 0.2018 0.0000 H 0 0 0
- -7.0672 -1.4321 0.0000 H 0 0 0
- 4.5236 -2.2234 0.0000 H 0 0 0
- 5.8027 -1.7929 0.0000 H 0 0 0
- 5.3722 -0.5138 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 9 17 2 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 2 0
- 14 22 2 0
- 16 23 1 0
- 18 24 1 0
- 20 25 2 0
- 22 26 1 0
- 23 27 1 0
- 24 28 2 0
- 26 29 1 0
- 12 18 1 0
- 12 19 1 0
- 15 21 1 0
- 22 25 1 0
- 1 30 1 0
- 2 31 1 0
- 6 32 1 0
- 6 33 1 0
- 8 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 14 40 1 0
- 15 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 20 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 25 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
- 28 53 1 0
- 28 54 1 0
- 29 55 1 0
- 29 56 1 0
- 29 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.1846 0.0001 -0.0014 C 0 0 0
- -2.6685 0.0002 -0.0017 C 0 0 0
- -0.4855 1.1337 -0.4106 C 0 0 0
- -0.4856 -1.1319 0.4137 C 0 0 0
- -3.3676 -1.1331 -0.4115 C 0 0 0
- -3.3678 1.1319 0.4132 C 0 0 0
- 0.8947 1.1285 -0.4085 C 0 0 0
- 0.8941 -1.1270 0.4121 C 0 0 0
- -4.7480 -1.1274 -0.4099 C 0 0 0
- -4.7478 1.1265 0.4109 C 0 0 0
- 1.5841 -0.0001 -0.0008 C 0 0 0
- -5.4369 0.0004 -0.0025 C 0 0 0
- 3.4751 -0.0003 -0.0004 Br 0 0 0
- -0.9706 2.0067 0.0000 H 0 0 0
- -0.9706 -2.0050 0.0000 H 0 0 0
- -2.8827 -2.0063 0.0000 H 0 0 0
- -2.8831 2.0052 0.0000 H 0 0 0
- 1.3850 1.9987 0.0000 H 0 0 0
- 1.3838 -1.9975 0.0000 H 0 0 0
- -5.2384 -1.9975 0.0000 H 0 0 0
- -5.2378 1.9968 0.0000 H 0 0 0
- -6.4357 0.0008 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 8 11 1 0
- 10 12 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-61-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 1.2304 -1.3242 0.0000 C 0 0 0
- 0.0000 -2.1943 0.0000 C 0 0 0
- 1.7937 -0.9258 1.1987 C 0 0 0
- 1.7970 -0.9307 -1.1983 C 0 0 0
- -1.2305 -1.3242 -0.0001 C 0 0 0
- 2.9212 -0.1286 1.2023 C 0 0 0
- 2.9248 -0.1333 -1.2019 C 0 0 0
- -1.7936 -0.9261 -1.1984 C 0 0 0
- -1.7971 -0.9305 1.1986 C 0 0 0
- 3.4897 0.2733 0.0001 C 0 0 0
- -2.9214 -0.1286 -1.2021 C 0 0 0
- -2.9246 -0.1333 1.2021 C 0 0 0
- 4.6298 1.0801 0.0001 N 0 0 0
- -3.4897 0.2733 -0.0002 C 0 0 0
- 5.2280 1.5030 -1.2687 C 0 0 0
- 5.2276 1.5035 1.2688 C 0 0 0
- -4.6298 1.0801 -0.0003 N 0 0 0
- -5.2280 1.5031 1.2684 C 0 0 0
- -5.2276 1.5034 -1.2691 C 0 0 0
- -0.3659 -2.6042 0.0000 H 0 0 0
- 0.3659 -2.6042 0.0000 H 0 0 0
- 1.4765 -0.4772 0.0000 H 0 0 0
- 2.1123 -1.3807 0.0000 H 0 0 0
- 2.6040 0.3200 0.0000 H 0 0 0
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- -5.6760 1.8209 0.0000 H 0 0 0
- -5.5451 1.0550 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 7 10 2 0
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- 4 23 1 0
- 6 24 1 0
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- 16 34 1 0
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- 18 36 1 0
- 18 37 1 0
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- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-9041-93-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-367376 1 V2000
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- 30 39 1 0
- 31 40 1 0
- 31 41 1 0
- 32 42 1 0
- 34 43 1 0
- 34 44 1 0
- 36 45 1 0
- 36 46 1 0
- 37 47 1 0
- 40 48 1 0
- 40 49 1 0
- 43 50 1 0
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- 45 52 1 0
- 45 53 1 0
- 47 54 1 0
- 48 55 1 0
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- 57 50 1 0
- 52 58 1 0
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- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 56 63 2 0
- 57 64 1 0
- 57 65 1 0
- 59 66 1 0
- 59 67 2 0
- 61 68 1 0
- 61 69 1 0
- 64 70 1 0
- 64 71 2 0
- 65 72 1 0
- 65 73 1 0
- 68 74 1 0
- 68 75 2 0
- 70 76 1 0
- 76 77 1 0
- 77 78 1 0
- 78 79 2 0
- 78 80 1 0
- 79 81 1 0
- 80 82 1 0
- 81 83 1 0
- 83 84 1 0
- 83 85 2 0
- 84 86 1 0
- 85 87 1 0
- 86 88 1 0
- 88 89 1 0
- 88 90 2 0
- 89 91 1 0
- 91 92 1 0
- 92 93 1 0
- 93 94 1 0
- 94 95 1 0
- 94 96 1 0
- 97 98 1 0
- 97 99 1 0
- 97100 1 0
- 98101 1 0
- 98102 1 0
-103 99 1 0
-100104 2 0
-100105 1 0
-101106 1 0
-102107 1 0
-102108 2 0
-103109 1 0
-103110 1 0
-104111 1 0
-105112 2 0
-106113 1 0
-106114 2 0
-115107 1 0
-109116 1 0
-109117 1 0
-110118 1 0
-113119 1 0
-113120 2 0
-115121 1 0
-115122 1 0
-123116 1 0
-117124 1 0
-117125 1 0
-118126 1 0
-119127 2 0
-120128 1 0
-120129 1 0
-121130 1 0
-121131 1 0
-123132 1 0
-123133 1 0
-124134 1 0
-126135 1 0
-127136 1 0
-127137 1 0
-128138 1 0
-130139 1 0
-130140 1 0
-132141 1 0
-132142 1 0
-133143 1 0
-136144 1 0
-136145 1 0
-139146 1 0
-139147 2 0
-141148 1 0
-141149 1 0
-143150 1 0
-144151 1 0
-145152 1 0
-153146 1 0
-148154 1 0
-149155 1 0
-150156 1 0
-151157 1 0
-152158 1 0
-152159 2 0
-153160 1 0
-153161 1 0
-155162 1 0
-155163 2 0
-157164 1 0
-157165 1 0
-160166 1 0
-160167 2 0
-161168 1 0
-161169 1 0
-164170 1 0
-164171 2 0
-166172 1 0
-172173 1 0
-173174 1 0
-174175 2 0
-174176 1 0
-175177 1 0
-176178 1 0
-177179 1 0
-179180 1 0
-179181 2 0
-180182 1 0
-181183 1 0
-182184 1 0
-184185 1 0
-184186 2 0
-185187 1 0
-187188 1 0
-188189 1 0
-189190 1 0
-190191 1 0
-190192 1 0
-193194 2 0
-193195 2 0
-193196 1 0
-193197 1 0
- 15 16 1 0
- 22 28 1 0
- 32 41 2 0
- 47 52 1 0
- 81 82 2 0
- 86 87 2 0
-111112 1 0
-118124 1 0
-128137 2 0
-143148 1 0
-177178 2 0
-182183 2 0
- 1198 1 0
- 2199 1 0
- 5200 1 0
- 7201 1 0
- 8202 1 0
- 11203 1 0
- 13204 1 0
- 15205 1 0
- 16206 1 0
- 19207 1 0
- 21208 1 0
- 22209 1 0
- 25210 1 0
- 26211 1 0
- 26212 1 0
- 26213 1 0
- 27214 1 0
- 28215 1 0
- 29216 1 0
- 30217 1 0
- 30218 1 0
- 33219 1 0
- 33220 1 0
- 33221 1 0
- 34222 1 0
- 35223 1 0
- 36224 1 0
- 38225 1 0
- 39226 1 0
- 40227 1 0
- 42228 1 0
- 42229 1 0
- 44230 1 0
- 44231 1 0
- 44232 1 0
- 45233 1 0
- 46234 1 0
- 47235 1 0
- 48236 1 0
- 49237 1 0
- 49238 1 0
- 50239 1 0
- 52240 1 0
- 54241 1 0
- 54242 1 0
- 55243 1 0
- 55244 1 0
- 57245 1 0
- 58246 1 0
- 60247 1 0
- 61248 1 0
- 62249 1 0
- 62250 1 0
- 65251 1 0
- 66252 1 0
- 66253 1 0
- 69254 1 0
- 69255 1 0
- 70256 1 0
- 72257 1 0
- 72258 1 0
- 72259 1 0
- 73260 1 0
- 74261 1 0
- 74262 1 0
- 76263 1 0
- 76264 1 0
- 77265 1 0
- 77266 1 0
- 82267 1 0
- 87268 1 0
- 89269 1 0
- 91270 1 0
- 91271 1 0
- 92272 1 0
- 92273 1 0
- 93274 1 0
- 93275 1 0
- 95276 1 0
- 95277 1 0
- 95278 1 0
- 96279 1 0
- 96280 1 0
- 96281 1 0
- 97282 1 0
- 98283 1 0
-101284 1 0
-103285 1 0
-104286 1 0
-107287 1 0
-109288 1 0
-111289 1 0
-112290 1 0
-115291 1 0
-117292 1 0
-118293 1 0
-121294 1 0
-122295 1 0
-122296 1 0
-122297 1 0
-123298 1 0
-124299 1 0
-125300 1 0
-126301 1 0
-126302 1 0
-129303 1 0
-129304 1 0
-129305 1 0
-130306 1 0
-131307 1 0
-132308 1 0
-134309 1 0
-135310 1 0
-136311 1 0
-138312 1 0
-138313 1 0
-140314 1 0
-140315 1 0
-140316 1 0
-141317 1 0
-142318 1 0
-143319 1 0
-144320 1 0
-145321 1 0
-145322 1 0
-146323 1 0
-148324 1 0
-150325 1 0
-150326 1 0
-151327 1 0
-151328 1 0
-153329 1 0
-154330 1 0
-156331 1 0
-157332 1 0
-158333 1 0
-158334 1 0
-161335 1 0
-162336 1 0
-162337 1 0
-165338 1 0
-165339 1 0
-166340 1 0
-168341 1 0
-168342 1 0
-168343 1 0
-169344 1 0
-170345 1 0
-170346 1 0
-172347 1 0
-172348 1 0
-173349 1 0
-173350 1 0
-178351 1 0
-183352 1 0
-185353 1 0
-187354 1 0
-187355 1 0
-188356 1 0
-188357 1 0
-189358 1 0
-189359 1 0
-191360 1 0
-191361 1 0
-191362 1 0
-192363 1 0
-192364 1 0
-192365 1 0
-196366 1 0
-197367 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-57-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- 0.0000 -0.4124 -0.0045 N 0 0 0
- -1.1786 0.4644 0.0051 C 0 0 0
- 1.1786 0.4644 0.0051 C 0 0 0
- -2.4488 -0.3884 -0.0042 C 0 0 0
- 2.4488 -0.3884 -0.0042 C 0 0 0
- -3.6274 0.4884 0.0053 N 0 0 0
- 3.6274 0.4884 0.0053 N 0 0 0
- -4.8059 -0.3884 -0.0042 C 0 0 0
- 4.8059 -0.3884 -0.0042 C 0 0 0
- -6.0762 0.4644 0.0051 C 0 0 0
- 6.0762 0.4644 0.0051 C 0 0 0
- -7.2547 -0.4124 -0.0045 N 0 0 0
- 7.2547 -0.4124 -0.0045 N 0 0 0
- 0.0000 -1.5141 0.0000 H 0 0 0
- -0.4253 1.2683 0.0000 H 0 0 0
- -1.8922 1.3038 0.0000 H 0 0 0
- 1.8922 1.3038 0.0000 H 0 0 0
- 0.4253 1.2683 0.0000 H 0 0 0
- -3.2021 -1.1923 0.0000 H 0 0 0
- -1.7352 -1.2278 0.0000 H 0 0 0
- 1.7352 -1.2278 0.0000 H 0 0 0
- 3.2021 -1.1923 0.0000 H 0 0 0
- -3.6274 1.5901 0.0000 H 0 0 0
- 3.6274 1.5901 0.0000 H 0 0 0
- -5.5195 -1.2278 0.0000 H 0 0 0
- -4.0525 -1.1923 0.0000 H 0 0 0
- 4.0525 -1.1923 0.0000 H 0 0 0
- 5.5195 -1.2278 0.0000 H 0 0 0
- -5.3626 1.3038 0.0000 H 0 0 0
- -6.8296 1.2683 0.0000 H 0 0 0
- 6.8296 1.2683 0.0000 H 0 0 0
- 5.3626 1.3038 0.0000 H 0 0 0
- -8.2662 0.0243 0.0000 H 0 0 0
- -7.1271 -1.5067 0.0000 H 0 0 0
- 7.1271 -1.5067 0.0000 H 0 0 0
- 8.2662 0.0243 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-599-07-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 86 1 V2000
- 0.2478 0.0605 -2.7211 C 0 0 0
- 0.2322 -0.4619 -1.2737 C 0 0 0
- 0.6725 0.6220 -0.3195 C 0 0 0
- -1.2076 -0.8588 -0.9990 C 0 0 0
- 1.1366 -1.6903 -1.2185 C 0 0 0
- 2.1582 0.9607 -0.3234 C 0 0 0
- -0.1756 1.8723 -0.4963 C 0 0 0
- -1.7397 -1.4994 -2.2862 C 0 0 0
- -2.0836 0.3357 -0.7088 C 0 0 0
- -1.4008 -1.8646 0.1239 C 0 0 0
- 2.5884 -1.2503 -1.4449 C 0 0 0
- 2.4856 1.8620 -1.5163 C 0 0 0
- 2.9790 -0.3056 -0.3247 C 0 0 0
- 2.4763 1.7442 0.9618 C 0 0 0
- -1.6337 1.5260 -0.4981 C 0 0 0
- -3.5669 0.0317 -0.6491 C 0 0 0
- -2.8870 -2.2654 0.1500 C 0 0 0
- 4.4624 -0.1708 -0.1302 C 0 0 0
- 3.9553 2.0354 1.0679 C 0 0 0
- -3.7590 -1.0460 0.4301 C 0 0 0
- -4.3553 1.2762 -0.2444 C 0 0 0
- 5.0063 -1.5246 0.3231 C 0 0 0
- 5.1836 0.1552 -1.4476 C 0 0 0
- 4.8490 0.8395 0.9333 C 0 0 0
- 4.3629 3.1498 0.2990 O 0 0 0
- -3.3997 -0.4808 1.7811 C 0 0 0
- -5.2415 -1.4361 0.4332 C 0 0 0
- -5.8456 0.9261 -0.1747 C 0 0 0
- 4.2594 -2.4670 0.4409 O 0 0 0
- 6.3139 -1.6671 0.5905 O 0 0 0
- 5.0329 0.1900 2.1927 O 0 0 0
- -2.8683 0.6013 1.8614 O 0 0 0
- -3.6702 -1.1800 2.8946 O 0 0 0
- -6.0701 -0.2085 0.8247 C 0 0 0
- -6.6322 2.1599 0.2763 C 0 0 0
- -6.3275 0.4847 -1.5586 C 0 0 0
- 1.2877 0.0294 0.0000 H 0 0 0
- 0.2789 1.1004 0.0000 H 0 0 0
- -0.7921 0.0916 0.0000 H 0 0 0
- 1.3463 -0.1707 0.0000 H 0 0 0
- 0.2344 -2.2083 0.0000 H 0 0 0
- 1.5491 -2.6454 0.0000 H 0 0 0
- 0.7496 2.3482 0.0000 H 0 0 0
- -0.5364 2.8481 0.0000 H 0 0 0
- -2.5400 -0.8347 0.0000 H 0 0 0
- -2.4044 -2.2997 0.0000 H 0 0 0
- -0.9394 -2.1641 0.0000 H 0 0 0
- -1.2842 -2.8984 0.0000 H 0 0 0
- -0.3612 -1.9049 0.0000 H 0 0 0
- 2.6565 -2.2884 0.0000 H 0 0 0
- 3.6149 -1.4194 0.0000 H 0 0 0
- 3.4635 1.5068 0.0000 H 0 0 0
- 2.8408 2.8399 0.0000 H 0 0 0
- 1.5077 2.2172 0.0000 H 0 0 0
- 1.9430 -0.4007 0.0000 H 0 0 0
- 2.4752 2.7846 0.0000 H 0 0 0
- 1.4551 1.9430 0.0000 H 0 0 0
- -2.3207 2.3073 0.0000 H 0 0 0
- -4.5877 -0.1690 0.0000 H 0 0 0
- -3.7992 -2.7657 0.0000 H 0 0 0
- -2.4987 -3.2306 0.0000 H 0 0 0
- 4.9847 2.1863 0.0000 H 0 0 0
- -3.4200 1.7319 0.0000 H 0 0 0
- -4.7043 2.2563 0.0000 H 0 0 0
- 5.6121 -0.7928 0.0000 H 0 0 0
- 6.1316 0.5837 0.0000 H 0 0 0
- 4.7551 1.1032 0.0000 H 0 0 0
- 5.7818 1.3003 0.0000 H 0 0 0
- 4.7203 4.1269 0.0000 H 0 0 0
- -6.1635 -1.9180 0.0000 H 0 0 0
- -4.8658 -2.4063 0.0000 H 0 0 0
- 7.3481 -1.7798 0.0000 H 0 0 0
- 5.3163 -0.8110 0.0000 H 0 0 0
- -4.0456 -2.1503 0.0000 H 0 0 0
- -7.0042 0.2496 0.0000 H 0 0 0
- -6.7534 -0.9931 0.0000 H 0 0 0
- -5.7550 2.7192 0.0000 H 0 0 0
- -7.1915 3.0371 0.0000 H 0 0 0
- -7.5094 1.6006 0.0000 H 0 0 0
- -7.0302 1.2519 0.0000 H 0 0 0
- -7.0947 -0.2180 0.0000 H 0 0 0
- -5.6248 -0.2825 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 5 1 0
- 12 6 1 0
- 13 6 1 0
- 14 6 1 0
- 15 7 1 0
- 16 9 1 0
- 17 10 1 0
- 18 13 1 0
- 19 14 1 0
- 20 16 1 0
- 21 16 1 0
- 22 18 1 0
- 23 18 1 0
- 24 18 1 0
- 25 19 1 0
- 26 20 1 0
- 27 20 1 0
- 28 21 1 0
- 29 22 2 0
- 30 22 1 0
- 31 24 1 0
- 32 26 2 0
- 33 26 1 0
- 34 27 1 0
- 35 28 1 0
- 36 28 1 0
- 11 13 1 0
- 9 15 2 0
- 17 20 1 0
- 19 24 1 0
- 28 34 1 0
- 1 37 1 0
- 1 38 1 0
- 1 39 1 0
- 3 40 1 0
- 5 41 1 0
- 5 42 1 0
- 7 43 1 0
- 7 44 1 0
- 8 45 1 0
- 8 46 1 0
- 8 47 1 0
- 10 48 1 0
- 10 49 1 0
- 11 50 1 0
- 11 51 1 0
- 12 52 1 0
- 12 53 1 0
- 12 54 1 0
- 13 55 1 0
- 14 56 1 0
- 14 57 1 0
- 15 58 1 0
- 16 59 1 0
- 17 60 1 0
- 17 61 1 0
- 19 62 1 0
- 21 63 1 0
- 21 64 1 0
- 23 65 1 0
- 23 66 1 0
- 23 67 1 0
- 24 68 1 0
- 25 69 1 0
- 27 70 1 0
- 27 71 1 0
- 30 72 1 0
- 31 73 1 0
- 33 74 1 0
- 34 75 1 0
- 34 76 1 0
- 35 77 1 0
- 35 78 1 0
- 35 79 1 0
- 36 80 1 0
- 36 81 1 0
- 36 82 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78113-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-140140 1 V2000
- -6.2944 -5.3267 -0.9280 C 0 0 2
- -5.9594 -5.4913 0.5587 C 0 0 1
- -6.4830 -6.7171 -1.5452 C 0 0 1
- -5.2190 -4.6549 -1.5870 O 0 0 0
- -7.0348 -6.3571 1.2192 C 0 0 0
- -4.6549 -6.1438 0.6960 N 0 0 0
- -7.5187 -7.4901 -0.7255 C 0 0 2
- -6.9446 -6.5824 -2.8908 O 0 0 0
- -5.7129 -3.3736 -1.9825 C 0 0 1
- -7.0545 -7.6484 0.6138 O 0 0 0
- -6.7502 -6.4889 2.6134 O 0 0 0
- -3.8776 -5.8780 1.7645 C 0 0 0
- -7.7419 -8.8671 -1.3540 C 0 0 0
- -5.2561 -2.3321 -0.9937 C 0 0 0
- -5.1762 -3.0271 -3.3727 C 0 0 0
- -2.5357 -6.5491 1.9057 C 0 0 0
- -4.2581 -5.0987 2.6123 O 0 0 0
- -8.7090 -9.5889 -0.5886 O 0 0 0
- -5.6048 -1.0416 -1.1649 N 0 0 0
- -4.5747 -2.6553 -0.0439 O 0 0 0
- -5.1607 -0.0291 -0.2037 C 0 0 2
- -6.1788 1.0799 -0.1359 C 0 0 0
- -3.8134 0.5420 -0.6504 C 0 0 0
- -5.9800 2.1277 0.6881 N 0 0 0
- -7.1770 1.0296 -0.8229 O 0 0 0
- -6.9697 3.2059 0.7540 C 0 0 2
- -6.2686 4.5214 1.0986 C 0 0 0
- -7.9899 2.8871 1.8164 C 0 0 0
- -5.2328 4.8451 0.0200 C 0 0 0
- -8.6014 3.8851 2.4845 N 0 0 0
- -8.2606 1.7324 2.0701 O 0 0 0
- -4.5422 6.1408 0.3595 C 0 0 0
- -3.5844 6.6273 -0.4544 N 0 0 0
- -4.8484 6.7458 1.3651 O 0 0 0
- -2.9131 7.8869 -0.1244 C 0 0 1
- -1.4846 7.8622 -0.6719 C 0 0 0
- -3.6681 9.0354 -0.7424 C 0 0 0
- -0.7181 6.6961 -0.0445 C 0 0 0
- -3.6599 10.2400 -0.1503 O 0 0 0
- -4.2808 8.8719 -1.7709 O 0 0 0
- 0.7103 6.6713 -0.5921 C 0 0 0
- 1.4768 5.5053 0.0353 C 0 0 0
- 2.8446 5.4816 -0.4890 N 0 0 0
- 3.7087 4.5338 -0.0748 C 0 0 0
- 5.1157 4.5094 -0.6141 C 0 0 0
- 3.3540 3.7006 0.7319 O 0 0 0
- 5.8822 3.3434 0.0133 C 0 0 0
- 7.3107 3.3186 -0.5343 C 0 0 0
- 8.0772 2.1525 0.0931 C 0 0 0
- 9.5056 2.1278 -0.4544 C 0 0 0
- 10.2722 0.9617 0.1730 C 0 0 0
- 11.7006 0.9370 -0.3746 C 0 0 0
- 12.4671 -0.2291 0.2528 C 0 0 0
- 13.8956 -0.2538 -0.2948 C 0 0 0
- 14.6621 -1.4199 0.3326 C 0 0 0
- 16.0905 -1.4447 -0.2149 C 0 0 0
- 16.8570 -2.6107 0.4125 C 0 0 0
- 18.2855 -2.6355 -0.1351 C 0 0 0
- 19.0520 -3.8016 0.4923 C 0 0 0
- 20.4805 -3.8263 -0.0552 C 0 0 0
- 21.2470 -4.9924 0.5722 C 0 0 0
- 22.6754 -5.0171 0.0246 C 0 0 0
- -7.1687 -4.7619 0.0000 H 0 0 0
- -5.4971 -4.5588 0.0000 H 0 0 0
- -5.5861 -7.2453 0.0000 H 0 0 0
- -7.9702 -5.9005 0.0000 H 0 0 0
- -4.7247 -7.1823 0.0000 H 0 0 0
- -8.4087 -6.9504 0.0000 H 0 0 0
- -7.9438 -6.2908 0.0000 H 0 0 0
- -6.7535 -3.3500 0.0000 H 0 0 0
- -5.8057 -6.9263 0.0000 H 0 0 0
- -7.3618 -9.8360 0.0000 H 0 0 0
- -6.7070 -8.7564 0.0000 H 0 0 0
- -4.6117 -3.9015 0.0000 H 0 0 0
- -4.3018 -2.4626 0.0000 H 0 0 0
- -5.7407 -2.1527 0.0000 H 0 0 0
- -3.0013 -7.4800 0.0000 H 0 0 0
- -1.6048 -7.0147 0.0000 H 0 0 0
- -2.0701 -5.6182 0.0000 H 0 0 0
- -9.5431 -10.2115 0.0000 H 0 0 0
- -6.6427 -0.9639 0.0000 H 0 0 0
- -4.4293 -0.7696 0.0000 H 0 0 0
- -3.4072 -0.4163 0.0000 H 0 0 0
- -2.8551 0.9482 0.0000 H 0 0 0
- -4.2196 1.5003 0.0000 H 0 0 0
- -4.9790 2.4129 0.0000 H 0 0 0
- -7.6338 4.0073 0.0000 H 0 0 0
- -6.3089 5.5615 0.0000 H 0 0 0
- -7.2831 4.7541 0.0000 H 0 0 0
- -5.1925 3.8050 0.0000 H 0 0 0
- -4.2183 4.6124 0.0000 H 0 0 0
- -8.1047 4.7998 0.0000 H 0 0 0
- -9.6419 3.8579 0.0000 H 0 0 0
- -2.8557 5.8841 0.0000 H 0 0 0
- -2.4111 8.7987 0.0000 H 0 0 0
- -0.5187 8.2501 0.0000 H 0 0 0
- -1.6733 8.8858 0.0000 H 0 0 0
- -1.6840 6.3082 0.0000 H 0 0 0
- -0.5294 5.6725 0.0000 H 0 0 0
- -3.6528 11.2808 0.0000 H 0 0 0
- 1.6762 7.0592 0.0000 H 0 0 0
- 0.5216 7.6949 0.0000 H 0 0 0
- 0.5109 5.1174 0.0000 H 0 0 0
- 1.6655 4.4817 0.0000 H 0 0 0
- 3.2732 6.4301 0.0000 H 0 0 0
- 6.0816 4.8973 0.0000 H 0 0 0
- 4.9270 5.5330 0.0000 H 0 0 0
- 4.9163 2.9555 0.0000 H 0 0 0
- 6.0709 2.3198 0.0000 H 0 0 0
- 8.2766 3.7065 0.0000 H 0 0 0
- 7.1220 4.3422 0.0000 H 0 0 0
- 7.1113 1.7646 0.0000 H 0 0 0
- 8.2659 1.1289 0.0000 H 0 0 0
- 10.4714 2.5158 0.0000 H 0 0 0
- 9.3169 3.1514 0.0000 H 0 0 0
- 9.3064 0.5737 0.0000 H 0 0 0
- 10.4609 -0.0619 0.0000 H 0 0 0
- 12.6665 1.3249 0.0000 H 0 0 0
- 11.5119 1.9606 0.0000 H 0 0 0
- 11.5012 -0.6170 0.0000 H 0 0 0
- 12.6558 -1.2527 0.0000 H 0 0 0
- 14.8615 0.1341 0.0000 H 0 0 0
- 13.7069 0.7698 0.0000 H 0 0 0
- 13.6962 -1.8078 0.0000 H 0 0 0
- 14.8508 -2.4435 0.0000 H 0 0 0
- 17.0564 -1.0568 0.0000 H 0 0 0
- 15.9018 -0.4211 0.0000 H 0 0 0
- 15.8911 -2.9986 0.0000 H 0 0 0
- 17.0457 -3.6343 0.0000 H 0 0 0
- 19.2514 -2.2476 0.0000 H 0 0 0
- 18.0968 -1.6119 0.0000 H 0 0 0
- 18.0861 -4.1895 0.0000 H 0 0 0
- 19.2407 -4.8252 0.0000 H 0 0 0
- 21.4464 -3.4384 0.0000 H 0 0 0
- 20.2918 -2.8027 0.0000 H 0 0 0
- 20.2811 -5.3803 0.0000 H 0 0 0
- 21.4357 -6.0160 0.0000 H 0 0 0
- 22.6574 -6.0578 0.0000 H 0 0 0
- 23.7161 -5.0351 0.0000 H 0 0 0
- 22.6934 -3.9764 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 12 17 2 0
- 13 18 1 0
- 14 19 1 0
- 14 20 2 0
- 21 19 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 22 25 2 0
- 26 24 1 0
- 26 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 28 31 2 0
- 29 32 1 0
- 32 33 1 0
- 32 34 2 0
- 35 33 1 0
- 35 36 1 0
- 35 37 1 0
- 36 38 1 0
- 37 39 1 0
- 37 40 2 0
- 38 41 1 0
- 41 42 1 0
- 42 43 1 0
- 43 44 1 0
- 44 45 1 0
- 44 46 2 0
- 45 47 1 0
- 47 48 1 0
- 48 49 1 0
- 49 50 1 0
- 50 51 1 0
- 51 52 1 0
- 52 53 1 0
- 53 54 1 0
- 54 55 1 0
- 55 56 1 0
- 56 57 1 0
- 57 58 1 0
- 58 59 1 0
- 59 60 1 0
- 60 61 1 0
- 61 62 1 0
- 7 10 1 0
- 1 63 1 0
- 2 64 1 0
- 3 65 1 0
- 5 66 1 0
- 6 67 1 0
- 7 68 1 0
- 8 69 1 0
- 9 70 1 0
- 11 71 1 0
- 13 72 1 0
- 13 73 1 0
- 15 74 1 0
- 15 75 1 0
- 15 76 1 0
- 16 77 1 0
- 16 78 1 0
- 16 79 1 0
- 18 80 1 0
- 19 81 1 0
- 21 82 1 0
- 23 83 1 0
- 23 84 1 0
- 23 85 1 0
- 24 86 1 0
- 26 87 1 0
- 27 88 1 0
- 27 89 1 0
- 29 90 1 0
- 29 91 1 0
- 30 92 1 0
- 30 93 1 0
- 33 94 1 0
- 35 95 1 0
- 36 96 1 0
- 36 97 1 0
- 38 98 1 0
- 38 99 1 0
- 39100 1 0
- 41101 1 0
- 41102 1 0
- 42103 1 0
- 42104 1 0
- 43105 1 0
- 45106 1 0
- 45107 1 0
- 47108 1 0
- 47109 1 0
- 48110 1 0
- 48111 1 0
- 49112 1 0
- 49113 1 0
- 50114 1 0
- 50115 1 0
- 51116 1 0
- 51117 1 0
- 52118 1 0
- 52119 1 0
- 53120 1 0
- 53121 1 0
- 54122 1 0
- 54123 1 0
- 55124 1 0
- 55125 1 0
- 56126 1 0
- 56127 1 0
- 57128 1 0
- 57129 1 0
- 58130 1 0
- 58131 1 0
- 59132 1 0
- 59133 1 0
- 60134 1 0
- 60135 1 0
- 61136 1 0
- 61137 1 0
- 62138 1 0
- 62139 1 0
- 62140 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3228-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -1.2885 -0.9705 0.0000 C 0 0 0
- -1.2483 0.0492 0.8833 C 0 0 0
- 0.0492 1.2483 -0.8833 C 0 0 0
- 1.2483 -0.0492 0.8833 C 0 0 0
- -0.0492 -1.2483 -0.8833 C 0 0 0
- -2.7192 0.1072 -0.1576 Cl 0 0 0
- 0.1072 2.7192 0.1576 Cl 0 0 0
- 2.7192 -0.1072 -0.1576 Cl 0 0 0
- -0.1072 -2.7192 0.1576 Cl 0 0 0
- -0.2286 0.0090 0.0000 H 0 0 0
- -1.2081 1.0689 0.0000 H 0 0 0
- 0.6848 0.4499 0.0000 H 0 0 0
- 1.0190 1.5659 0.0000 H 0 0 0
- 1.6772 0.8768 0.0000 H 0 0 0
- 0.5582 0.7025 0.0000 H 0 0 0
- 0.9662 -1.3500 0.0000 H 0 0 0
- 0.1135 -0.2409 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1141-35-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.7256 0.0129 -0.0024 C 0 0 0
- -0.7523 0.0106 -0.0019 C 0 0 0
- 1.4743 1.0866 -0.0019 N 0 0 0
- 1.4993 -1.0891 0.0024 O 0 0 0
- -1.4513 -1.1981 -0.0025 C 0 0 0
- -1.4549 1.2166 0.0050 C 0 0 0
- 2.7786 0.7093 -0.0021 C 0 0 0
- 2.7922 -0.6950 0.0006 C 0 0 0
- -2.8302 -1.1939 -0.0021 C 0 0 0
- -2.8342 1.2080 0.0054 C 0 0 0
- 3.9861 1.4120 -0.0018 C 0 0 0
- 4.0016 -1.3725 0.0040 C 0 0 0
- -3.5219 0.0062 -0.0010 C 0 0 0
- 5.1775 0.7222 -0.0021 C 0 0 0
- 5.1860 -0.6651 0.0013 C 0 0 0
- -5.2579 0.0034 -0.0005 Cl 0 0 0
- -0.9337 -2.0986 0.0000 H 0 0 0
- -0.9401 2.1187 0.0000 H 0 0 0
- -3.3512 -2.0924 0.0000 H 0 0 0
- -3.3581 2.1049 0.0000 H 0 0 0
- 3.9849 2.4507 0.0000 H 0 0 0
- 4.0160 -2.4111 0.0000 H 0 0 0
- 6.0757 1.2437 0.0000 H 0 0 0
- 6.0909 -1.1750 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 13 16 1 0
- 7 8 2 0
- 10 13 2 0
- 14 15 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3096-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.4005 -0.7480 -0.0006 C 0 0 0
- -1.8862 -0.7111 -0.0005 C 0 0 0
- 0.0813 0.5718 -0.0001 C 0 0 0
- 0.4993 -1.8042 0.0040 C 0 0 0
- -2.3019 0.6305 0.0002 C 0 0 0
- -2.8374 -1.7218 -0.0012 C 0 0 0
- -1.0886 1.4815 0.0004 C 0 0 0
- 1.4506 0.8092 -0.0002 C 0 0 0
- 1.8630 -1.5539 0.0025 C 0 0 0
- -3.6582 0.9355 0.0001 C 0 0 0
- -4.1866 -1.4044 -0.0013 C 0 0 0
- -1.0587 2.6955 0.0012 O 0 0 0
- 2.3359 -0.2564 -0.0008 C 0 0 0
- -4.5949 -0.0847 -0.0006 C 0 0 0
- 3.7943 -0.0032 -0.0009 N 0 3 0
- 4.5747 -0.9384 -0.0013 O 0 0 0
- 4.2139 1.1402 -0.0005 O 0 5 0
- 0.1505 -2.7846 0.0000 H 0 0 0
- -2.5375 -2.7183 0.0000 H 0 0 0
- 1.8103 1.7857 0.0000 H 0 0 0
- 2.5345 -2.3489 0.0000 H 0 0 0
- -3.9691 1.9286 0.0000 H 0 0 0
- -4.8966 -2.1652 0.0000 H 0 0 0
- -5.6101 0.1438 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 10 14 2 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 5 7 1 0
- 9 13 2 0
- 11 14 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-422-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.2036 -0.6335 0.1629 C 0 0 0
- -1.5296 0.0695 -0.1345 C 0 0 0
- 0.9355 0.1075 -0.5401 C 0 0 0
- 0.0236 -0.6359 1.5434 F 0 0 0
- -0.2599 -1.9516 -0.3026 F 0 0 0
- -2.5711 -0.6081 0.5084 F 0 0 0
- -1.4733 1.3875 0.3311 F 0 0 0
- -1.7568 0.0718 -1.5149 F 0 0 0
- 1.0080 1.8062 0.0600 Cl 0 0 0
- 2.4980 -0.7209 -0.1896 Cl 0 0 0
- 0.0760 0.5977 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95331-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.6453 -0.5118 0.0895 C 0 0 0
- -1.9382 0.1889 0.0093 C 0 0 0
- 0.4736 0.1605 0.2146 C 0 0 0
- -0.6519 -1.9854 0.0310 C 0 0 0
- -1.9323 1.6623 0.0734 C 0 0 0
- -3.0572 -0.4836 -0.1150 C 0 0 0
- 1.7457 -0.5849 0.2912 C 0 0 0
- 0.4742 1.6295 0.2780 C 0 0 0
- 0.4794 -2.6447 0.0991 C 0 0 0
- -1.9532 -2.6632 -0.1042 C 0 0 0
- -0.6313 2.3397 0.2137 C 0 0 0
- -3.0637 2.3213 0.0049 C 0 0 0
- -3.0579 -1.9526 -0.1778 C 0 0 0
- -4.3295 0.2616 -0.1914 C 0 0 0
- 1.7456 -1.8995 0.2336 C 0 0 0
- 2.9158 0.0861 0.4206 N 0 0 0
- -4.3292 1.5763 -0.1358 C 0 0 0
- 3.5973 0.4703 -0.6768 C 0 0 0
- 3.4226 0.3836 1.7089 O 0 0 0
- 4.8986 1.2165 -0.5329 C 0 0 0
- 3.1632 0.2154 -1.7803 O 0 0 0
- 1.4010 2.1354 0.0000 H 0 0 0
- 0.4817 -3.7006 0.0000 H 0 0 0
- -2.0014 -3.7180 0.0000 H 0 0 0
- -0.5833 3.3945 0.0000 H 0 0 0
- -3.0662 3.3772 0.0000 H 0 0 0
- -3.9848 -2.4582 0.0000 H 0 0 0
- -5.2456 -0.2634 0.0000 H 0 0 0
- 2.6622 -2.4236 0.0000 H 0 0 0
- -5.2458 2.1005 0.0000 H 0 0 0
- 4.3332 0.9181 0.0000 H 0 0 0
- 5.4238 0.3005 0.0000 H 0 0 0
- 5.8146 1.7417 0.0000 H 0 0 0
- 4.3734 2.1325 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 16 18 1 0
- 16 19 1 0
- 18 20 1 0
- 18 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-958-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 39 1 V2000
- -1.2459 -0.1320 0.0593 N 0 0 0
- -1.7425 -1.3862 -0.2758 C 0 0 0
- -1.4154 0.9934 -0.8632 C 0 0 0
- -0.5582 0.0659 1.3377 C 0 0 0
- -2.9952 -1.7777 0.1861 C 0 0 0
- -1.0217 -2.1956 -1.0363 N 0 0 0
- -2.7740 1.6119 -0.6567 C 0 0 0
- 0.7602 -0.7104 1.3331 C 0 0 0
- -3.4773 -3.0282 -0.1553 C 0 0 0
- -1.4565 -3.3939 -1.3778 C 0 0 0
- -2.9391 2.6645 0.2238 C 0 0 0
- -3.8514 1.1479 -1.3360 C 0 0 0
- 1.4498 -0.5120 2.6149 N 0 0 0
- -2.6876 -3.8486 -0.9504 C 0 0 0
- -4.1745 3.1983 0.3859 C 0 0 0
- -5.1547 2.2059 -0.7284 S 0 0 0
- 2.7004 -1.2794 2.5447 C 0 0 0
- 1.8276 0.9063 2.6759 C 0 0 0
- 12.7038 0.7657 -1.0293 Cl 0 0 0
- -0.4320 0.9513 0.0000 H 0 0 0
- -1.1862 1.9507 0.0000 H 0 0 0
- 0.1375 0.7622 0.0000 H 0 0 0
- -1.0584 0.9137 0.0000 H 0 0 0
- -3.6682 -1.0594 0.0000 H 0 0 0
- 0.0645 -1.4067 0.0000 H 0 0 0
- 1.2603 -1.5582 0.0000 H 0 0 0
- -4.4422 -3.2230 0.0000 H 0 0 0
- -0.7585 -4.0879 0.0000 H 0 0 0
- -2.1610 3.2674 0.0000 H 0 0 0
- -3.9864 0.1729 0.0000 H 0 0 0
- -2.9075 -4.8081 0.0000 H 0 0 0
- -4.3622 4.1646 0.0000 H 0 0 0
- 2.1856 -2.1184 0.0000 H 0 0 0
- 3.5394 -1.7942 0.0000 H 0 0 0
- 3.2152 -0.4404 0.0000 H 0 0 0
- 2.7788 0.6529 0.0000 H 0 0 0
- 2.0810 1.8575 0.0000 H 0 0 0
- 0.8764 1.1597 0.0000 H 0 0 0
- 13.6881 0.7657 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 10 14 2 0
- 15 16 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67151-57-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.6491 0.6837 -0.4400 C 0 0 0
- -2.6601 -0.2527 -0.2573 C 0 0 0
- -0.3387 0.2629 -0.6639 N 0 0 0
- -1.9489 2.0411 -0.4046 C 0 0 0
- -3.9566 0.1679 -0.0362 C 0 0 0
- 0.3584 -0.2206 0.3078 N 0 3 0
- -3.2484 2.4536 -0.1884 C 0 0 0
- -0.8568 3.0604 -0.6026 C 0 0 0
- -4.2499 1.5188 0.0039 C 0 0 0
- -5.0339 -0.8284 0.1584 N 0 3 0
- 1.6282 -0.6243 0.0919 C 0 0 0
- -0.1292 -0.3129 1.4201 O 0 5 0
- -6.1778 -0.4582 0.3535 O 0 0 0
- -4.7764 -2.0183 0.1236 O 0 5 0
- 2.6912 0.2793 0.2402 C 0 0 0
- 1.8941 -1.9520 -0.2768 C 0 0 0
- 3.9838 -0.1423 0.0175 C 0 0 0
- 3.1931 -2.3543 -0.4949 C 0 0 0
- 0.7621 -2.9344 -0.4330 C 0 0 0
- 4.2355 -1.4533 -0.3511 C 0 0 0
- 5.1071 0.8089 0.1733 N 0 3 0
- 6.2506 0.4383 -0.0231 O 0 0 0
- 4.8880 1.9622 0.4978 O 0 5 0
- -2.4403 -1.2512 0.0000 H 0 0 0
- -3.4733 3.4510 0.0000 H 0 0 0
- -0.1592 2.3130 0.0000 H 0 0 0
- -0.1094 3.7580 0.0000 H 0 0 0
- -1.5544 3.8078 0.0000 H 0 0 0
- -5.2257 1.8239 0.0000 H 0 0 0
- 2.4935 1.2824 0.0000 H 0 0 0
- 3.4024 -3.3550 0.0000 H 0 0 0
- 0.0920 -2.1622 0.0000 H 0 0 0
- -0.0101 -3.6045 0.0000 H 0 0 0
- 1.4322 -3.7066 0.0000 H 0 0 0
- 5.2013 -1.7886 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 11 16 1 0
- 15 17 1 0
- 16 18 2 0
- 16 19 1 0
- 17 20 2 0
- 17 21 1 0
- 21 22 2 0
- 21 23 1 0
- 7 9 1 0
- 18 20 1 0
- 2 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 15 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94-62-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -4.9136 0.4820 0.1881 C 0 0 0
- -4.9902 -0.8971 -0.0139 C 0 0 0
- -3.6835 1.1083 0.2184 C 0 0 0
- -6.1806 0.9734 0.3210 O 0 0 0
- -3.8302 -1.6418 -0.1849 C 0 0 0
- -6.3035 -1.2659 -0.0008 O 0 0 0
- -2.5142 0.3578 0.0460 C 0 0 0
- -7.0460 -0.0482 -0.2084 C 0 0 0
- -2.5992 -1.0251 -0.1561 C 0 0 0
- -1.2029 1.0188 0.0775 C 0 0 0
- -0.0736 0.2908 -0.0895 C 0 0 0
- 1.1856 0.9255 -0.0592 C 0 0 0
- 2.3182 0.1954 -0.2266 C 0 0 0
- 3.5820 0.8324 -0.1963 C 0 0 0
- 4.7061 0.1077 -0.3625 N 0 0 0
- 3.6534 2.0352 -0.0200 O 0 0 0
- 6.0249 0.7546 -0.3335 C 0 0 0
- 4.6363 -1.3451 -0.5701 C 0 0 0
- 6.9035 0.0371 0.6961 C 0 0 0
- 5.5335 -2.0344 0.4627 C 0 0 0
- 6.9439 -1.4582 0.3726 C 0 0 0
- -3.6319 2.1423 0.0000 H 0 0 0
- -3.8852 -2.6756 0.0000 H 0 0 0
- -7.7601 0.7014 0.0000 H 0 0 0
- -7.8674 -0.6783 0.0000 H 0 0 0
- -1.7354 -1.5958 0.0000 H 0 0 0
- -1.1482 2.0526 0.0000 H 0 0 0
- -0.1283 -0.7430 0.0000 H 0 0 0
- 1.2403 1.9593 0.0000 H 0 0 0
- 2.2635 -0.8384 0.0000 H 0 0 0
- 6.7875 1.4547 0.0000 H 0 0 0
- 5.4409 1.6094 0.0000 H 0 0 0
- 3.6333 -1.0886 0.0000 H 0 0 0
- 4.1834 -2.2761 0.0000 H 0 0 0
- 7.9160 -0.1790 0.0000 H 0 0 0
- 7.3515 0.9704 0.0000 H 0 0 0
- 4.7688 -2.7323 0.0000 H 0 0 0
- 6.0867 -2.9094 0.0000 H 0 0 0
- 7.2176 -2.4566 0.0000 H 0 0 0
- 7.9680 -1.3063 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 15 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 6 8 1 0
- 7 9 1 0
- 20 21 1 0
- 3 22 1 0
- 5 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 21 39 1 0
- 21 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125279-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -2.1570 0.0025 0.0072 C 0 0 0
- -1.7971 -1.3314 0.0531 C 0 0 0
- -1.1841 0.9807 -0.0881 C 0 0 0
- -3.5862 0.3841 0.0541 N 0 3 0
- -0.4638 -1.6905 0.0038 C 0 0 0
- 0.1501 0.6269 -0.1378 C 0 0 0
- -3.9045 1.5591 0.0138 O 0 0 0
- -4.4441 -0.4768 0.1331 O 0 5 0
- 0.5139 -0.7113 -0.0919 C 0 0 0
- 1.8260 -1.0619 -0.1402 O 0 0 0
- 2.5746 0.1516 -0.2357 C 0 0 0
- 4.0684 -0.1740 -0.2942 C 0 0 0
- 4.8699 1.1253 -0.3965 C 0 0 0
- 4.7274 0.4091 0.8318 O 0 0 0
- -2.5292 -2.0638 0.0000 H 0 0 0
- -1.4548 1.9803 0.0000 H 0 0 0
- -0.1960 -2.6909 0.0000 H 0 0 0
- 0.8801 1.3615 0.0000 H 0 0 0
- 2.9076 1.1322 0.0000 H 0 0 0
- 1.6376 0.5927 0.0000 H 0 0 0
- 4.3295 -1.1762 0.0000 H 0 0 0
- 5.8831 1.3396 0.0000 H 0 0 0
- 4.2739 1.9722 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 6 9 1 0
- 13 14 1 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5234-06-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.9553 0.6210 0.0016 C 0 0 0
- -2.0842 -0.7909 -0.0046 C 0 0 0
- -0.6760 1.1964 0.0658 C 0 0 0
- -3.1116 1.4188 -0.0506 C 0 0 0
- -0.9295 -1.5902 0.0534 C 0 0 0
- -3.3653 -1.3649 -0.0684 C 0 0 0
- 0.4251 0.3898 0.1211 C 0 0 0
- -4.3359 0.8272 -0.1064 C 0 0 0
- 0.2955 -1.0023 0.1148 C 0 0 0
- -4.4620 -0.5607 -0.1230 C 0 0 0
- 1.6626 0.9477 0.1827 O 0 0 0
- 2.5997 -0.1300 0.2300 C 0 0 0
- 4.0208 0.4325 0.3008 C 0 0 0
- 5.0242 -0.7215 0.3514 C 0 0 0
- 4.7584 0.0091 -0.8476 O 0 0 0
- -0.5663 2.2392 0.0000 H 0 0 0
- -3.0310 2.4643 0.0000 H 0 0 0
- -1.0123 -2.6355 0.0000 H 0 0 0
- -3.4760 -2.4076 0.0000 H 0 0 0
- -5.1980 1.4241 0.0000 H 0 0 0
- 1.1561 -1.6014 0.0000 H 0 0 0
- -5.4179 -0.9918 0.0000 H 0 0 0
- 1.7359 -0.7245 0.0000 H 0 0 0
- 3.0930 -1.0553 0.0000 H 0 0 0
- 4.0963 1.4784 0.0000 H 0 0 0
- 4.5646 -1.6640 0.0000 H 0 0 0
- 6.0713 -0.7764 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 7 9 2 0
- 8 10 1 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3074-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.2581 0.4709 -0.0036 C 0 0 0
- 0.0578 -0.9324 -0.0011 C 0 0 0
- 1.7195 0.7349 -0.0023 C 0 0 0
- -0.8125 1.3214 -0.0016 C 0 0 0
- 1.3910 -1.5765 0.0019 C 0 0 0
- -1.2173 -1.4603 -0.0016 C 0 0 0
- 2.3998 -0.4947 0.0010 C 0 0 0
- 2.4461 1.9197 -0.0034 C 0 0 0
- -2.1235 0.8064 0.0030 C 0 0 0
- 1.6147 -2.7709 0.0049 O 0 0 0
- -2.3284 -0.5963 -0.0047 C 0 0 0
- 3.7922 -0.5154 0.0024 C 0 0 0
- 3.8294 1.8833 -0.0012 C 0 0 0
- -3.2356 1.6625 0.0057 C 0 0 0
- -3.6381 -1.1019 -0.0048 C 0 0 0
- 4.4989 0.6730 0.0005 C 0 0 0
- -4.4938 1.1369 0.0106 C 0 0 0
- -4.6946 -0.2402 -0.0073 C 0 0 0
- -0.6580 2.3543 0.0000 H 0 0 0
- -1.3570 -2.4953 0.0000 H 0 0 0
- 1.9480 2.8377 0.0000 H 0 0 0
- 4.3018 -1.4270 0.0000 H 0 0 0
- 4.3717 2.7759 0.0000 H 0 0 0
- -3.1000 2.6981 0.0000 H 0 0 0
- -3.8023 -2.1333 0.0000 H 0 0 0
- 5.5432 0.6567 0.0000 H 0 0 0
- -5.3189 1.7772 0.0000 H 0 0 0
- -5.6680 -0.6188 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 2 0
- 15 18 2 0
- 5 7 1 0
- 9 11 1 0
- 13 16 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-90-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.9320 0.4625 -0.0013 C 0 0 0
- -0.4241 0.6124 -0.0015 N 0 0 0
- 1.7621 1.5887 -0.0014 C 0 0 0
- 1.4963 -0.8180 0.0047 C 0 0 0
- -1.1879 -0.4271 -0.0014 N 0 0 0
- 3.1298 1.4333 -0.0013 C 0 0 0
- 2.8645 -0.9651 0.0048 C 0 0 0
- -2.5468 -0.2769 -0.0016 C 0 0 0
- 3.6871 0.1581 -0.0011 C 0 0 0
- -3.3773 -1.4006 -0.0015 C 0 0 0
- -3.1120 1.0013 0.0040 C 0 0 0
- 5.0711 0.0051 -0.0010 N 0 0 0
- -4.7474 -1.2413 -0.0017 C 0 0 0
- -4.4834 1.1450 0.0037 C 0 0 0
- 5.6598 -1.3364 -0.0008 C 0 0 0
- -5.2998 0.0273 -0.0020 C 0 0 0
- 1.3471 2.5402 0.0000 H 0 0 0
- 0.8835 -1.6559 0.0000 H 0 0 0
- 3.7464 2.2684 0.0000 H 0 0 0
- 3.2838 -1.9147 0.0000 H 0 0 0
- -2.9642 -2.3529 0.0000 H 0 0 0
- -2.5009 1.8404 0.0000 H 0 0 0
- 5.6858 0.8416 0.0000 H 0 0 0
- -5.3656 -2.0752 0.0000 H 0 0 0
- -4.9046 2.0938 0.0000 H 0 0 0
- 4.7092 -1.7535 0.0000 H 0 0 0
- 6.0769 -2.2870 0.0000 H 0 0 0
- 6.6104 -0.9193 0.0000 H 0 0 0
- -6.3316 0.1414 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 7 9 1 0
- 14 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63104-32-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.4580 -0.3236 -0.0015 C 0 0 0
- -1.8127 0.0520 -0.0013 C 0 0 0
- 0.5419 0.6656 -0.0002 C 0 0 0
- -0.0978 -1.7422 0.0030 C 0 0 0
- -2.1535 1.4244 0.0003 C 0 0 0
- -2.8227 -0.9360 -0.0021 C 0 0 0
- 1.9402 0.2409 -0.0004 C 0 0 0
- 0.1782 2.0253 0.0018 C 0 0 0
- 1.2372 -2.1120 0.0024 C 0 0 0
- -1.1673 -2.7406 0.0077 C 0 0 0
- -1.1271 2.3953 0.0012 C 0 0 0
- -3.5058 1.7866 0.0006 C 0 0 0
- -2.4608 -2.3509 -0.0038 C 0 0 0
- -4.1598 -0.5329 -0.0019 C 0 0 0
- 2.2525 -1.1421 -0.0019 C 0 0 0
- 2.9759 1.1833 0.0003 C 0 0 0
- -4.4820 0.8122 -0.0008 C 0 0 0
- 3.6058 -1.5354 -0.0026 C 0 0 0
- 4.2734 0.7655 -0.0004 C 0 0 0
- 2.6569 2.6562 0.0014 C 0 0 0
- 4.5857 -0.5918 -0.0018 C 0 0 0
- 0.9293 2.7653 0.0000 H 0 0 0
- 1.4941 -3.1346 0.0000 H 0 0 0
- -0.9278 -3.7674 0.0000 H 0 0 0
- -1.3784 3.4193 0.0000 H 0 0 0
- -3.7783 2.8051 0.0000 H 0 0 0
- -3.2219 -3.0805 0.0000 H 0 0 0
- -4.9265 -1.2566 0.0000 H 0 0 0
- -5.4966 1.0991 0.0000 H 0 0 0
- 3.8583 -2.5591 0.0000 H 0 0 0
- 5.0501 1.4785 0.0000 H 0 0 0
- 3.6874 2.8794 0.0000 H 0 0 0
- 2.4337 3.6867 0.0000 H 0 0 0
- 1.6264 2.4330 0.0000 H 0 0 0
- 5.5963 -0.8923 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 1 0
- 14 17 2 0
- 19 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 2.4257 -0.1330 -0.3356 C 0 0 0
- 1.1675 0.7200 -0.1616 C 0 0 0
- 3.6416 0.7803 -0.5039 C 0 0 0
- 2.6053 -0.9576 0.8175 O 0 0 0
- 0.0000 -0.1569 0.0000 N 0 0 0
- -1.1675 0.7200 0.1615 C 0 0 0
- -2.4257 -0.1329 0.3356 C 0 0 0
- -3.6416 0.7804 0.5038 C 0 0 0
- -2.6053 -0.9577 -0.8174 O 0 0 0
- 1.5000 -0.7592 0.0000 H 0 0 0
- 1.8926 1.5704 0.0000 H 0 0 0
- 0.4021 1.5343 0.0000 H 0 0 0
- 4.3128 -0.1133 0.0000 H 0 0 0
- 4.5352 1.4515 0.0000 H 0 0 0
- 2.9704 1.6739 0.0000 H 0 0 0
- 2.8431 -2.0496 0.0000 H 0 0 0
- 0.0000 -1.2745 0.0000 H 0 0 0
- -0.4021 1.5343 0.0000 H 0 0 0
- -1.8926 1.5704 0.0000 H 0 0 0
- -1.5000 -0.7591 0.0000 H 0 0 0
- -2.9704 1.6740 0.0000 H 0 0 0
- -4.5352 1.4516 0.0000 H 0 0 0
- -4.3128 -0.1132 0.0000 H 0 0 0
- -2.8431 -2.0497 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25953-06-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -2.5053 0.5679 -0.0642 C 0 0 0
- -3.1340 1.7980 -0.0935 N 0 0 0
- -1.3684 0.3988 0.7212 C 0 0 0
- -3.0253 -0.4891 -0.8201 C 0 0 0
- -4.3765 2.0036 0.6550 C 0 0 0
- -2.5582 2.8966 -0.8731 C 0 0 0
- -0.7319 -0.8254 0.7590 C 0 0 0
- -2.4352 -1.7106 -0.8156 C 0 0 0
- -4.0497 2.2374 2.1313 C 0 0 0
- -2.9159 2.7163 -2.3497 C 0 0 0
- -1.2729 -1.9310 -0.0367 C 0 0 0
- 0.3744 -1.0023 1.5194 O 0 0 0
- -0.6858 -3.1214 -0.0237 N 0 0 0
- -1.1435 -4.0335 -0.6887 O 0 0 0
- 10.4075 0.8090 -0.0939 Cl 0 0 0
- -0.8428 1.1358 0.0000 H 0 0 0
- -3.9305 -0.4859 0.0000 H 0 0 0
- -5.0759 2.5783 0.0000 H 0 0 0
- -4.7505 1.1793 0.0000 H 0 0 0
- -1.6655 2.7468 0.0000 H 0 0 0
- -2.6938 3.7916 0.0000 H 0 0 0
- -2.9860 -2.4290 0.0000 H 0 0 0
- -3.5230 1.5012 0.0000 H 0 0 0
- -3.3135 2.7641 0.0000 H 0 0 0
- -4.5764 2.9736 0.0000 H 0 0 0
- -3.3233 3.5246 0.0000 H 0 0 0
- -3.7242 2.3089 0.0000 H 0 0 0
- -2.5085 1.9080 0.0000 H 0 0 0
- 1.2682 -1.1452 0.0000 H 0 0 0
- 11.3127 0.8090 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 11 13 1 0
- 13 14 2 0
- 8 11 2 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-150-78-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.3841 -0.2565 0.0021 C 0 0 0
- -0.6905 -1.4578 0.0015 C 0 0 0
- -0.6908 0.9445 0.0016 C 0 0 0
- -2.7440 -0.2565 -0.0026 O 0 0 0
- 0.6905 -1.4578 0.0005 C 0 0 0
- 0.6908 0.9445 0.0006 C 0 0 0
- -3.1570 1.1115 -0.0007 C 0 0 0
- 1.3841 -0.2565 0.0001 C 0 0 0
- 2.7440 -0.2565 -0.0009 O 0 0 0
- 3.1570 1.1115 -0.0011 C 0 0 0
- -1.2105 -2.3585 0.0000 H 0 0 0
- -1.2109 1.8452 0.0000 H 0 0 0
- 1.2105 -2.3585 0.0000 H 0 0 0
- 1.2109 1.8452 0.0000 H 0 0 0
- -2.1613 1.4121 0.0000 H 0 0 0
- -3.4576 2.1072 0.0000 H 0 0 0
- -4.1527 0.8109 0.0000 H 0 0 0
- 4.1527 0.8109 0.0000 H 0 0 0
- 3.4576 2.1072 0.0000 H 0 0 0
- 2.1613 1.4121 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6201-87-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -2.3233 0.2999 0.0610 S 0 0 0
- -2.2463 1.5153 0.7932 O 0 0 0
- -3.1692 -0.7977 0.3756 O 0 0 0
- -2.6755 0.6979 -1.3652 O 0 0 0
- -0.6855 -0.3494 0.0375 C 0 0 0
- 0.4000 0.5129 0.0215 C 0 0 0
- -0.4863 -1.7154 0.0407 C 0 0 0
- 0.2020 1.8558 0.0240 O 0 0 0
- 1.7023 -0.0052 0.0033 C 0 0 0
- 0.8028 -2.2374 0.0227 C 0 0 0
- 2.8615 0.9052 -0.0142 C 0 0 0
- 1.8963 -1.3889 0.0013 C 0 0 0
- 0.9948 -3.6238 0.0262 N 0 0 0
- 2.6953 2.1029 0.1058 O 0 0 0
- 4.1056 0.4093 -0.1633 O 0 0 0
- -3.3643 1.4762 0.0000 H 0 0 0
- -1.3039 -2.3571 0.0000 H 0 0 0
- 0.0504 2.8840 0.0000 H 0 0 0
- 2.8592 -1.7800 0.0000 H 0 0 0
- 0.1745 -4.2620 0.0000 H 0 0 0
- 1.9576 -4.0151 0.0000 H 0 0 0
- 5.0710 0.0245 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 1 0
- 12 9 2 0
- 13 10 1 0
- 14 11 2 0
- 15 11 1 0
- 10 12 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 15 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2402-77-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.0848 0.7252 0.0027 C 0 0 0
- 0.1846 -0.6563 0.0003 C 0 0 0
- 1.2445 1.4856 0.0028 C 0 0 0
- -1.4713 1.4946 -0.0015 Cl 0 0 0
- 1.3644 -1.2468 -0.0020 N 0 0 0
- -1.2585 -1.6214 0.0008 Cl 0 0 0
- 2.4654 0.8276 0.0004 C 0 0 0
- 2.4868 -0.5537 -0.0020 C 0 0 0
- 1.1998 2.5241 0.0000 H 0 0 0
- 3.3537 1.3673 0.0000 H 0 0 0
- 3.3985 -1.0530 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 8 2 0
- 3 9 1 0
- 7 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-37-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -2.0094 0.0616 -0.0746 S 0 0 0
- -2.5217 -1.0761 -0.7546 O 0 0 0
- -2.2278 1.4137 -0.4535 O 0 0 0
- -2.5105 -0.0525 1.3580 O 0 0 0
- -0.2604 -0.1491 -0.0392 C 0 0 0
- 0.5675 0.9577 -0.0368 C 0 0 0
- 0.2804 -1.4211 -0.0080 C 0 0 0
- 1.9447 0.7933 -0.0085 C 0 0 0
- 1.6523 -1.5928 0.0203 C 0 0 0
- 2.7851 1.9125 -0.0056 N 0 0 0
- 2.4889 -0.4889 0.0175 C 0 0 0
- 3.8384 -0.6563 0.0453 O 0 0 0
- -3.5214 -0.2827 0.0000 H 0 0 0
- 0.1591 1.9107 0.0000 H 0 0 0
- -0.3443 -2.2486 0.0000 H 0 0 0
- 2.0550 -2.5482 0.0000 H 0 0 0
- 3.8144 1.7879 0.0000 H 0 0 0
- 2.3784 2.8662 0.0000 H 0 0 0
- 4.8673 -0.7839 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 1 0
- 11 8 2 0
- 12 11 1 0
- 9 11 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22224-92-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 41 1 V2000
- 1.8334 -0.2048 -0.0347 P 0 0 0
- 1.0220 0.7052 1.0168 O 0 0 0
- 3.4866 0.0070 0.1988 N 0 0 0
- 1.4535 -1.7531 0.1905 O 0 0 0
- 1.4746 0.1957 -1.4135 O 0 0 0
- -0.2970 0.5788 0.7103 C 0 0 0
- 3.7588 1.4388 0.0153 C 0 0 0
- 1.9258 -2.4650 -0.9550 C 0 0 0
- -1.0394 -0.4570 1.2576 C 0 0 0
- -0.9002 1.4893 -0.1452 C 0 0 0
- 4.3302 2.0194 1.3104 C 0 0 0
- 4.7710 1.6244 -1.1169 C 0 0 0
- 1.5949 -3.9511 -0.8039 C 0 0 0
- -2.3789 -0.5863 0.9471 C 0 0 0
- -2.2392 1.3620 -0.4570 C 0 0 0
- -2.9825 0.3214 0.0863 C 0 0 0
- -3.1855 -1.7116 1.5424 C 0 0 0
- -4.6912 0.1572 -0.3113 S 0 0 0
- -4.8922 1.5724 -1.4282 C 0 0 0
- 4.1678 -0.7166 0.0000 H 0 0 0
- 2.8785 1.9000 0.0000 H 0 0 0
- 2.8098 -2.9190 0.0000 H 0 0 0
- 2.5883 -1.7243 0.0000 H 0 0 0
- -0.5434 -1.3181 0.0000 H 0 0 0
- -0.4720 2.3861 0.0000 H 0 0 0
- 5.0385 1.3223 0.0000 H 0 0 0
- 5.0273 2.7277 0.0000 H 0 0 0
- 3.6219 2.7165 0.0000 H 0 0 0
- 4.9502 0.6469 0.0000 H 0 0 0
- 5.7485 1.8036 0.0000 H 0 0 0
- 4.5918 2.6019 0.0000 H 0 0 0
- 0.6249 -3.7351 0.0000 H 0 0 0
- 1.3789 -4.9211 0.0000 H 0 0 0
- 2.5649 -4.1671 0.0000 H 0 0 0
- -2.7353 2.2231 0.0000 H 0 0 0
- -3.9932 -1.1326 0.0000 H 0 0 0
- -3.7645 -2.5193 0.0000 H 0 0 0
- -2.3778 -2.2906 0.0000 H 0 0 0
- -3.9083 1.7121 0.0000 H 0 0 0
- -5.0319 2.5563 0.0000 H 0 0 0
- -5.8761 1.4327 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 18 19 1 0
- 15 16 1 0
- 3 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
- 15 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-399-10-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.5322 1.2072 -0.0038 C 0 0 0
- -0.6955 0.4125 -0.0034 C 0 0 0
- 0.4703 2.4231 -0.0002 O 0 0 0
- 1.8481 0.5343 -0.0024 C 0 0 0
- -1.8979 1.0274 0.0010 C 0 0 0
- 3.0222 1.2908 -0.0029 C 0 0 0
- 1.9220 -0.8608 0.0051 C 0 0 0
- -3.1329 0.2281 0.0015 C 0 0 0
- 4.2468 0.6579 -0.0016 C 0 0 0
- 3.1515 -1.4831 0.0063 C 0 0 0
- -4.3802 0.8611 0.0060 C 0 0 0
- -3.0660 -1.1694 -0.0084 C 0 0 0
- 4.3143 -0.7270 0.0000 C 0 0 0
- -5.5331 0.1047 0.0064 C 0 0 0
- -4.2279 -1.9114 -0.0079 C 0 0 0
- 5.5171 -1.3421 0.0012 F 0 0 0
- -5.4585 -1.2772 0.0024 C 0 0 0
- -0.6427 -0.6253 0.0000 H 0 0 0
- -1.9507 2.0652 0.0000 H 0 0 0
- 2.9727 2.3287 0.0000 H 0 0 0
- 1.0515 -1.4282 0.0000 H 0 0 0
- 5.1209 1.2197 0.0000 H 0 0 0
- 3.2076 -2.5207 0.0000 H 0 0 0
- -4.4378 1.8986 0.0000 H 0 0 0
- -2.1430 -1.6468 0.0000 H 0 0 0
- -6.4604 0.5735 0.0000 H 0 0 0
- -4.1799 -2.9494 0.0000 H 0 0 0
- -6.3308 -1.8418 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 10 13 1 0
- 15 17 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-619-24-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.8187 0.1750 -0.0033 C 0 0 0
- -0.3411 -0.5714 -0.0029 C 0 0 0
- 0.7556 1.5574 -0.0010 C 0 0 0
- 2.1337 -0.5041 -0.0001 N 0 3 0
- -1.5811 0.0710 0.0000 C 0 0 0
- -0.4693 2.2003 0.0018 C 0 0 0
- 3.1588 0.1537 -0.0005 O 0 0 0
- 2.1908 -1.7208 0.0030 O 0 5 0
- -1.6374 1.4660 0.0023 C 0 0 0
- -2.7894 -0.6975 0.0000 C 0 0 0
- -3.7479 -1.3072 0.0000 N 0 0 0
- -0.2924 -1.6078 0.0000 H 0 0 0
- 1.6310 2.1143 0.0000 H 0 0 0
- -0.5097 3.2370 0.0000 H 0 0 0
- -2.5555 1.9494 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 3 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-585-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.4363 1.0736 -0.1247 C 0 0 0
- -1.8089 -0.3339 -0.1382 Br 0 0 0
- -0.6373 1.9702 1.0986 C 0 0 0
- 0.9305 0.4417 -0.0653 C 0 0 0
- 2.0123 1.0792 -0.6429 C 0 0 0
- 1.1034 -0.7730 0.5720 C 0 0 0
- 3.2663 0.4995 -0.5884 C 0 0 0
- 2.3570 -1.3525 0.6266 C 0 0 0
- 3.4381 -0.7176 0.0437 C 0 0 0
- 0.2965 1.6651 0.0000 H 0 0 0
- 0.2816 2.1762 0.0000 H 0 0 0
- -0.8433 2.8891 0.0000 H 0 0 0
- -1.5562 1.7642 0.0000 H 0 0 0
- 1.9655 2.0198 0.0000 H 0 0 0
- 0.3478 -1.3351 0.0000 H 0 0 0
- 4.0222 1.0612 0.0000 H 0 0 0
- 2.4031 -2.2931 0.0000 H 0 0 0
- 4.2862 -1.1270 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 8 9 1 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-76-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.1962 0.1569 0.0004 N 0 0 0
- -0.4558 -1.0033 -0.6195 C 0 0 0
- -0.7378 1.2835 -0.1166 C 0 0 0
- 1.3591 0.4841 -0.8353 C 0 0 0
- -1.7489 -1.3274 0.1295 C 0 0 0
- -2.0309 0.9594 0.6324 C 0 0 0
- 2.6062 0.5894 0.0448 C 0 0 0
- -2.6828 -0.2008 0.0125 N 0 0 0
- 2.9340 -0.7014 0.5628 O 0 0 0
- -0.4627 -2.0021 0.0000 H 0 0 0
- 0.5096 -1.2596 0.0000 H 0 0 0
- 0.1172 1.7999 0.0000 H 0 0 0
- -1.1217 2.2056 0.0000 H 0 0 0
- 1.7259 1.4131 0.0000 H 0 0 0
- 0.6896 1.2254 0.0000 H 0 0 0
- -2.6039 -1.8438 0.0000 H 0 0 0
- -1.3651 -2.2495 0.0000 H 0 0 0
- -2.0240 1.9582 0.0000 H 0 0 0
- -2.9963 1.2156 0.0000 H 0 0 0
- 3.5863 0.7818 0.0000 H 0 0 0
- 2.4678 1.5786 0.0000 H 0 0 0
- -3.6776 -0.2907 0.0000 H 0 0 0
- 3.1799 -1.6695 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 6 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78967-07-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.7913 0.9411 0.4299 C 0 0 0
- -0.4368 1.7459 0.2869 C 0 0 0
- 1.7673 1.8882 0.5485 C 0 0 0
- 0.9307 -0.5360 0.4471 C 0 0 0
- -1.8242 1.2501 0.1209 C 0 0 0
- -0.0381 2.9933 0.3380 N 0 0 0
- 1.1574 3.0788 0.4800 O 0 0 0
- 3.2437 1.6421 0.7235 C 0 0 0
- 0.6268 -1.2525 1.6029 C 0 0 0
- 1.3603 -1.2102 -0.6947 C 0 0 0
- -2.8773 1.8888 0.7748 C 0 0 0
- -2.0792 0.1479 -0.6937 C 0 0 0
- 3.9036 1.5639 -0.6291 C 0 0 0
- 0.7570 -2.6259 1.6157 C 0 0 0
- 1.4885 -2.5833 -0.6758 C 0 0 0
- -4.1662 1.4258 0.6181 C 0 0 0
- -3.3707 -0.3106 -0.8465 C 0 0 0
- 5.2255 1.3490 -0.7195 O 0 0 0
- 3.2429 1.6946 -1.6322 O 0 0 0
- 1.1901 -3.2938 0.4789 C 0 0 0
- -4.4165 0.3243 -0.1900 C 0 0 0
- 1.3178 -4.6469 0.4946 O 0 0 0
- -5.6876 -0.1300 -0.3420 O 0 0 0
- 1.7752 -5.0337 -0.8028 C 0 0 0
- -5.6215 -1.2566 -1.2186 C 0 0 0
- 2.6315 0.8741 0.0000 H 0 0 0
- 3.6170 0.7336 0.0000 H 0 0 0
- -0.3439 -1.1025 0.0000 H 0 0 0
- 2.2894 -0.8917 0.0000 H 0 0 0
- -2.7791 2.8661 0.0000 H 0 0 0
- -1.3463 -0.5060 0.0000 H 0 0 0
- -0.1706 -2.9487 0.0000 H 0 0 0
- 2.4593 -2.7323 0.0000 H 0 0 0
- -4.9016 2.0769 0.0000 H 0 0 0
- -3.4709 -1.2876 0.0000 H 0 0 0
- 6.1949 1.1914 0.0000 H 0 0 0
- 1.1410 -5.7837 0.0000 H 0 0 0
- 2.5252 -5.6679 0.0000 H 0 0 0
- 2.4094 -4.2837 0.0000 H 0 0 0
- -6.6020 -1.3141 0.0000 H 0 0 0
- -5.5640 -2.2371 0.0000 H 0 0 0
- -4.6410 -1.1991 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 13 19 2 0
- 14 20 2 0
- 16 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 6 7 1 0
- 15 20 1 0
- 17 21 2 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 24 37 1 0
- 24 38 1 0
- 24 39 1 0
- 25 40 1 0
- 25 41 1 0
- 25 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-112022-08-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -0.9538 0.5879 0.1524 C 0 0 0
- -1.9630 1.5453 -0.0154 C 0 0 0
- 0.3867 1.0170 0.0335 C 0 0 0
- -1.1867 -0.6917 0.4464 O 0 0 0
- -3.3708 1.0932 0.0754 C 0 0 0
- -1.6593 2.8807 -0.2690 C 0 0 0
- 0.6735 2.3532 -0.2273 C 0 0 0
- 1.4863 0.0450 0.1859 C 0 0 0
- -2.3992 -1.1772 0.1641 C 0 0 0
- -3.5349 -0.3758 -0.0180 C 0 0 0
- -4.3067 1.8588 0.2145 O 0 0 0
- -0.3419 3.2801 -0.3734 C 0 0 0
- 2.7661 0.4521 0.0729 N 0 0 0
- 1.2378 -1.1232 0.4135 O 0 0 0
- -2.5513 -2.5630 0.0490 C 0 0 0
- -4.7812 -0.9385 -0.2821 C 0 0 0
- 3.8579 -0.5129 0.2242 C 0 0 0
- -3.7841 -3.1113 -0.2192 C 0 0 0
- -4.9031 -2.3078 -0.3813 C 0 0 0
- 5.1989 0.2029 0.0512 C 0 0 0
- 6.2937 -0.7648 0.2029 N 0 0 0
- 6.1945 -1.6954 -0.9295 C 0 0 0
- 7.5457 -0.0170 0.0263 C 0 0 0
- -2.4147 3.5845 0.0000 H 0 0 0
- 1.6568 2.6679 0.0000 H 0 0 0
- -0.1138 4.2871 0.0000 H 0 0 0
- 2.9792 1.4623 0.0000 H 0 0 0
- -1.7175 -3.1719 0.0000 H 0 0 0
- -5.6228 -0.3405 0.0000 H 0 0 0
- 3.0872 -1.1999 0.0000 H 0 0 0
- 4.4487 -1.3596 0.0000 H 0 0 0
- -3.8894 -4.1384 0.0000 H 0 0 0
- -5.8417 -2.7379 0.0000 H 0 0 0
- 5.9696 0.8899 0.0000 H 0 0 0
- 4.6081 1.0496 0.0000 H 0 0 0
- 5.1679 -1.5860 0.0000 H 0 0 0
- 6.0851 -2.7220 0.0000 H 0 0 0
- 7.2211 -1.8048 0.0000 H 0 0 0
- 8.0751 -0.9034 0.0000 H 0 0 0
- 8.4321 0.5124 0.0000 H 0 0 0
- 7.0163 0.8694 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 7 12 1 0
- 9 10 2 0
- 18 19 1 0
- 6 24 1 0
- 7 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13674-87-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- 0.0113 -0.5383 -0.7608 P 0 0 0
- 1.4078 -1.0725 -1.3578 O 0 0 0
- -0.1549 1.0263 -1.1022 O 0 0 0
- -1.2044 -1.3634 -1.4191 O 0 0 0
- -0.0021 -0.7270 0.7071 O 0 0 0
- 2.4338 -0.6313 -0.4663 C 0 0 0
- -0.6141 1.6631 0.0918 C 0 0 0
- -2.3197 -1.2310 -0.5355 C 0 0 0
- 3.0769 -1.8433 0.2108 C 0 0 0
- 3.4974 0.1372 -1.2532 C 0 0 0
- 0.5052 2.5318 0.6693 C 0 0 0
- -1.8252 2.5403 -0.2314 C 0 0 0
- -3.5716 -0.8824 -1.3431 C 0 0 0
- -2.5422 -2.5507 0.2061 C 0 0 0
- 4.3715 -1.2867 1.3355 Cl 0 0 0
- 2.7634 1.6237 -1.9620 Cl 0 0 0
- 1.7737 1.4746 1.3931 Cl 0 0 0
- -2.4598 3.2727 1.2890 Cl 0 0 0
- -4.9521 -0.5979 -0.2188 Cl 0 0 0
- -1.0669 -2.9615 1.1577 Cl 0 0 0
- 1.9124 0.2880 0.0000 H 0 0 0
- -1.3622 0.9166 0.0000 H 0 0 0
- -2.1150 -0.1941 0.0000 H 0 0 0
- 2.1301 -2.3130 0.0000 H 0 0 0
- 3.5207 -2.8025 0.0000 H 0 0 0
- 4.0677 -0.7526 0.0000 H 0 0 0
- 4.4175 0.6571 0.0000 H 0 0 0
- 1.2385 3.2929 0.0000 H 0 0 0
- -0.2012 3.3180 0.0000 H 0 0 0
- -2.8446 2.2614 0.0000 H 0 0 0
- -2.0143 1.5005 0.0000 H 0 0 0
- -2.8340 -0.1254 0.0000 H 0 0 0
- -3.8815 0.1280 0.0000 H 0 0 0
- -3.5776 -2.3388 0.0000 H 0 0 0
- -2.7901 -3.5781 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107210-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 72 1 V2000
- 0.4760 0.6800 -0.5135 C 0 0 0
- -0.9235 0.2886 -0.3021 C 0 0 0
- 1.4308 0.4589 0.5809 C 0 0 0
- 0.8586 1.2341 -1.7216 C 0 0 0
- -1.8713 0.5148 -1.4056 C 0 0 0
- -1.3111 -0.2449 0.8339 N 0 0 0
- 0.8839 -0.1457 1.8094 C 0 0 0
- 2.7332 0.7897 0.4681 N 0 0 0
- -0.0822 1.4247 -2.7481 C 0 0 0
- 2.2702 1.6290 -1.9352 N 0 3 0
- -3.1816 0.1753 -1.2770 N 0 0 0
- -1.3885 1.0926 -2.6022 C 0 0 0
- -0.4944 -0.4720 1.8650 C 0 0 0
- 1.7073 -0.3953 2.9009 C 0 0 0
- 3.4394 -0.4204 0.0264 C 0 0 0
- 2.9625 1.0117 -2.7245 O 0 0 0
- 2.8147 2.7243 -1.2217 O 0 5 0
- -3.9570 1.4106 -1.4523 C 0 0 0
- -3.5067 -0.6925 -2.4169 C 0 0 0
- -1.0068 -1.0499 3.0438 C 0 0 0
- 1.1751 -0.9670 4.0528 C 0 0 0
- 4.9471 -0.1603 0.0282 C 0 0 0
- -4.1237 2.1045 -0.0989 C 0 0 0
- -3.2565 -2.1525 -2.0340 C 0 0 0
- -0.1679 -1.2894 4.1175 C 0 0 0
- 5.6826 -1.4206 -0.4318 C 0 0 0
- -2.8264 2.5445 0.3824 O 0 0 0
- -4.1792 -2.5420 -0.9826 O 0 0 0
- 7.1302 -1.1709 -0.4301 N 0 0 0
- -2.7138 3.0928 1.6024 C 0 0 0
- -4.0781 -3.7547 -0.4162 C 0 0 0
- 7.5230 -0.9747 0.9718 C 0 0 0
- 7.7734 -2.4130 -0.8788 C 0 0 0
- -1.3936 3.6627 2.0535 C 0 0 0
- -3.6709 3.1293 2.3390 O 0 0 0
- -5.1096 -4.2071 0.5849 C 0 0 0
- -3.1600 -4.4836 -0.7090 O 0 0 0
- 3.0598 1.5688 0.0000 H 0 0 0
- -0.1029 2.2692 0.0000 H 0 0 0
- -1.8385 1.8075 0.0000 H 0 0 0
- 2.5229 -0.1753 0.0000 H 0 0 0
- 2.6644 -0.7564 0.0000 H 0 0 0
- 3.6809 -1.2299 0.0000 H 0 0 0
- -4.7882 1.5615 0.0000 H 0 0 0
- -4.4304 0.7110 0.0000 H 0 0 0
- -4.1495 -0.1444 0.0000 H 0 0 0
- -4.2409 -1.1102 0.0000 H 0 0 0
- -1.8178 -1.2863 0.0000 H 0 0 0
- 1.6010 -1.6966 0.0000 H 0 0 0
- 5.7221 0.1757 0.0000 H 0 0 0
- 4.7056 0.6492 0.0000 H 0 0 0
- -4.3706 2.9124 0.0000 H 0 0 0
- -4.9387 1.8823 0.0000 H 0 0 0
- -2.9885 -2.9536 0.0000 H 0 0 0
- -2.4372 -1.9465 0.0000 H 0 0 0
- -0.1858 -2.1340 0.0000 H 0 0 0
- 4.9076 -1.7566 0.0000 H 0 0 0
- 5.9241 -2.2301 0.0000 H 0 0 0
- 7.9005 -1.7304 0.0000 H 0 0 0
- 8.2787 -0.5972 0.0000 H 0 0 0
- 7.1455 -0.2190 0.0000 H 0 0 0
- 7.0232 -2.8015 0.0000 H 0 0 0
- 8.1619 -3.1632 0.0000 H 0 0 0
- 8.5236 -2.0245 0.0000 H 0 0 0
- -1.0588 2.8871 0.0000 H 0 0 0
- -0.6180 3.9975 0.0000 H 0 0 0
- -1.7284 4.4383 0.0000 H 0 0 0
- -5.4489 -3.4335 0.0000 H 0 0 0
- -5.8832 -4.5464 0.0000 H 0 0 0
- -4.7703 -4.9807 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 13 20 1 0
- 14 21 2 0
- 15 22 1 0
- 18 23 1 0
- 19 24 1 0
- 20 25 2 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 26 29 1 0
- 27 30 1 0
- 28 31 1 0
- 29 32 1 0
- 29 33 1 0
- 30 34 1 0
- 30 35 2 0
- 31 36 1 0
- 31 37 2 0
- 7 13 2 0
- 9 12 1 0
- 21 25 1 0
- 8 38 1 0
- 9 39 1 0
- 12 40 1 0
- 14 41 1 0
- 15 42 1 0
- 15 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 20 48 1 0
- 21 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
- 24 54 1 0
- 24 55 1 0
- 25 56 1 0
- 26 57 1 0
- 26 58 1 0
- 32 59 1 0
- 32 60 1 0
- 32 61 1 0
- 33 62 1 0
- 33 63 1 0
- 33 64 1 0
- 34 65 1 0
- 34 66 1 0
- 34 67 1 0
- 36 68 1 0
- 36 69 1 0
- 36 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142713-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -3.3702 0.0751 -0.5310 C 0 0 0
- -3.8361 0.4369 0.7298 C 0 0 0
- -2.2060 -0.6662 -0.6493 C 0 0 0
- -4.0594 0.4436 -1.6439 O 0 0 0
- -3.1335 0.0542 1.8606 C 0 0 0
- -4.9783 1.1650 0.8510 O 0 0 0
- -1.5094 -1.0450 0.4837 C 0 0 0
- -3.3381 -0.0701 -2.7654 C 0 0 0
- -1.9720 -0.6857 1.7355 C 0 0 0
- -0.2430 -1.8514 0.3531 C 0 0 0
- 0.9039 -0.9459 0.2480 N 0 0 0
- 2.1487 -1.4469 0.1220 C 0 0 0
- 3.3284 -0.5154 0.0140 C 0 0 0
- 2.3195 -2.6473 0.0956 O 0 0 0
- 4.0491 -0.7571 -1.3139 C 0 0 0
- 2.7023 1.3466 0.0903 Br 0 0 0
- -2.6923 -1.4914 0.0000 H 0 0 0
- -2.6468 0.8792 0.0000 H 0 0 0
- -5.7860 1.6799 0.0000 H 0 0 0
- -3.8938 -0.8503 0.0000 H 0 0 0
- -2.5579 -0.6258 0.0000 H 0 0 0
- -2.7824 0.7101 0.0000 H 0 0 0
- -1.4203 0.0973 0.0000 H 0 0 0
- -0.8444 -2.5969 0.0000 H 0 0 0
- 0.4307 -2.5323 0.0000 H 0 0 0
- 0.7675 0.0022 0.0000 H 0 0 0
- 4.0054 0.1622 0.0000 H 0 0 0
- 3.7445 -1.6653 0.0000 H 0 0 0
- 4.9573 -1.0617 0.0000 H 0 0 0
- 4.3537 0.1511 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 13 16 1 0
- 7 9 2 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2277-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.7074 0.0804 -0.2832 C 0 0 0
- 0.2625 -0.0869 -0.5246 C 0 0 0
- 2.3078 1.3364 -0.4430 C 0 0 0
- 2.4855 -1.0124 0.1123 C 0 0 0
- -0.6135 0.0824 0.4855 N 0 0 0
- -0.1387 -0.3775 -1.6353 O 0 0 0
- 3.6684 1.4829 -0.2133 C 0 0 0
- 1.5617 2.4052 -0.8205 O 0 0 0
- 3.8378 -0.8486 0.3366 C 0 0 0
- 1.7521 -2.5720 0.3213 Cl 0 0 0
- -1.9904 0.0511 0.2309 C 0 0 0
- 4.4276 0.3945 0.1719 C 0 0 0
- 4.4180 3.0364 -0.4096 Cl 0 0 0
- 4.8033 -2.2053 0.8275 Cl 0 0 0
- -2.8950 0.3554 1.2456 C 0 0 0
- -2.4563 -0.2774 -1.0337 C 0 0 0
- -4.2566 0.3235 0.9884 C 0 0 0
- -2.4432 0.6828 2.4861 O 0 0 0
- -3.8166 -0.3073 -1.2833 C 0 0 0
- -4.7148 -0.0101 -0.2740 C 0 0 0
- -5.3872 0.7016 2.2503 Cl 0 0 0
- -4.3978 -0.7186 -2.8666 Cl 0 0 0
- -0.5290 1.0850 0.0000 H 0 0 0
- 0.9858 3.2302 0.0000 H 0 0 0
- 5.4303 0.4779 0.0000 H 0 0 0
- -2.1417 -1.2331 0.0000 H 0 0 0
- -1.6285 1.2732 0.0000 H 0 0 0
- -5.7089 -0.1653 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 7 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 11 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 17 21 1 0
- 19 22 1 0
- 9 12 1 0
- 19 20 2 0
- 5 23 1 0
- 8 24 1 0
- 12 25 1 0
- 16 26 1 0
- 18 27 1 0
- 20 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7473-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.6511 -0.3320 -0.0020 C 0 0 0
- -0.6088 0.1551 0.0028 C 0 0 0
- 1.7964 0.5910 -0.0140 C 0 0 0
- -1.7473 -0.7624 0.0147 C 0 0 0
- 3.1027 0.0906 -0.0190 C 0 0 0
- 1.5850 1.9741 -0.0263 C 0 0 0
- -1.5596 -1.9651 0.0204 O 0 0 0
- -3.1269 -0.2291 0.0199 C 0 0 0
- 3.3376 -1.3708 -0.0127 N 0 3 0
- 4.1709 0.9625 -0.0302 C 0 0 0
- 2.6636 2.8324 -0.0375 C 0 0 0
- -4.2160 -1.1022 0.0313 C 0 0 0
- -3.3455 1.1500 0.0193 C 0 0 0
- 4.1407 -1.8552 0.7644 O 0 0 0
- 2.7277 -2.0890 -0.7846 O 0 5 0
- 3.9533 2.3293 -0.0366 C 0 0 0
- -5.5002 -0.5981 0.0366 C 0 0 0
- -4.6345 1.6407 0.0246 C 0 0 0
- -5.7099 0.7695 0.0306 C 0 0 0
- 0.8110 -1.3576 0.0000 H 0 0 0
- -0.7687 1.1807 0.0000 H 0 0 0
- 0.6186 2.3528 0.0000 H 0 0 0
- 5.1408 0.5928 0.0000 H 0 0 0
- 2.5084 3.8587 0.0000 H 0 0 0
- -4.0600 -2.1284 0.0000 H 0 0 0
- -2.5398 1.8044 0.0000 H 0 0 0
- 4.7615 2.9807 0.0000 H 0 0 0
- -6.3109 -1.2463 0.0000 H 0 0 0
- -4.7984 2.6657 0.0000 H 0 0 0
- -6.6781 1.1438 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 8 2 0
- 13 8 1 0
- 14 9 2 0
- 15 9 1 0
- 16 10 2 0
- 17 12 1 0
- 18 13 2 0
- 19 17 2 0
- 11 16 1 0
- 18 19 1 0
- 1 20 1 0
- 2 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51940-44-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 0.3191 0.5024 0.0570 C 0 0 0
- 0.7317 -0.8442 0.1201 C 0 0 0
- 1.2445 1.5025 -0.0936 N 0 0 0
- -0.9784 0.7712 0.1522 N 0 0 0
- 2.1660 -1.1516 0.0218 C 0 0 0
- -0.2305 -1.8430 0.2741 C 0 0 0
- 2.5620 1.2640 -0.1876 C 0 0 0
- 0.7759 2.8891 -0.1550 C 0 0 0
- -1.8575 -0.2077 0.3028 C 0 0 0
- 3.0855 -0.0105 -0.1384 C 0 0 0
- 2.5763 -2.2980 0.0710 O 0 0 0
- -1.5007 -1.4862 0.3555 N 0 0 0
- 0.7335 3.4761 1.2573 C 0 0 0
- -3.1966 0.1119 0.3985 N 0 0 0
- 4.5352 -0.2279 -0.2450 C 0 0 0
- -3.9223 -1.1544 0.5566 C 0 0 0
- -3.5910 0.6698 -0.9009 C 0 0 0
- 5.0345 -1.4791 -0.1965 O 0 0 0
- 5.2840 0.7206 -0.3769 O 0 0 0
- -5.4281 -0.8888 0.5469 C 0 0 0
- -5.0969 0.9355 -0.9106 C 0 0 0
- -5.8226 -0.3309 -0.7525 N 0 0 0
- 0.0386 -2.8343 0.0000 H 0 0 0
- 3.2080 2.0627 0.0000 H 0 0 0
- -0.1830 3.2576 0.0000 H 0 0 0
- 0.0348 2.1778 0.0000 H 0 0 0
- 1.7581 3.5501 0.0000 H 0 0 0
- 0.6595 4.5007 0.0000 H 0 0 0
- -0.2911 3.4021 0.0000 H 0 0 0
- -4.2159 -2.1388 0.0000 H 0 0 0
- -2.9782 -1.5593 0.0000 H 0 0 0
- -2.6268 1.0240 0.0000 H 0 0 0
- -3.6820 1.6930 0.0000 H 0 0 0
- 5.4152 -2.4332 0.0000 H 0 0 0
- -6.3923 -1.2431 0.0000 H 0 0 0
- -5.3370 -1.9120 0.0000 H 0 0 0
- -4.8033 1.9199 0.0000 H 0 0 0
- -6.0410 1.3404 0.0000 H 0 0 0
- -6.8487 -0.3797 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 20 22 1 0
- 7 10 2 0
- 9 12 2 0
- 21 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-532-32-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -1.9114 0.0615 -0.0275 C 0 0 0
- -2.7591 -0.9348 0.4742 C 0 0 0
- -0.6725 -0.2956 -0.5767 C 0 0 0
- -2.3207 1.4687 0.0161 C 0 0 0
- -2.3685 -2.2557 0.4238 C 0 0 0
- -0.2986 -1.6211 -0.6187 C 0 0 0
- -1.5083 2.4167 -0.4640 O 0 0 0
- -3.5066 1.8046 0.5362 O 0 0 0
- -1.1428 -2.5991 -0.1204 C 0 0 0
- 9.4839 0.2885 0.1740 Na 0 3 0
- -3.7070 -0.7340 0.0000 H 0 0 0
- 0.0146 0.3876 0.0000 H 0 0 0
- -3.0487 -2.9458 0.0000 H 0 0 0
- 0.6473 -1.8312 0.0000 H 0 0 0
- -0.8632 -3.5268 0.0000 H 0 0 0
- -4.4389 2.0687 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 9 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2255-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.1976 0.3959 0.8090 C 0 0 0
- -1.5032 0.6382 1.0981 O 0 0 0
- 0.5113 1.2773 0.0060 C 0 0 0
- 0.4302 -0.7305 1.3212 C 0 0 0
- -2.3746 -0.0736 -0.0535 P 0 0 0
- 1.8386 1.0287 -0.2865 C 0 0 0
- 1.7572 -0.9745 1.0259 C 0 0 0
- -2.1432 -1.6658 0.0052 O 0 0 0
- -3.9347 0.2508 0.1763 O 0 0 0
- -1.9542 0.4375 -1.3773 O 0 0 0
- 2.4600 -0.0975 0.2201 C 0 0 0
- 2.6093 1.9858 -1.1588 C 0 0 0
- -2.9322 -2.2367 -1.0406 C 0 0 0
- -4.0795 1.6695 0.0841 C 0 0 0
- 3.8817 -0.3619 -0.0956 N 0 3 0
- 4.1838 -1.3135 -0.7932 O 0 0 0
- 4.7494 0.3722 0.3422 O 0 5 0
- 0.1768 2.1821 0.0000 H 0 0 0
- -0.1320 -1.5145 0.0000 H 0 0 0
- 2.0940 -1.8785 0.0000 H 0 0 0
- 3.3607 1.3808 0.0000 H 0 0 0
- 3.2143 2.7372 0.0000 H 0 0 0
- 1.8579 2.5908 0.0000 H 0 0 0
- -3.4977 -1.4551 0.0000 H 0 0 0
- -3.7138 -2.8022 0.0000 H 0 0 0
- -2.3667 -3.0183 0.0000 H 0 0 0
- -3.1198 1.7675 0.0000 H 0 0 0
- -4.1775 2.6292 0.0000 H 0 0 0
- -5.0392 1.5715 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 15 16 2 0
- 15 17 1 0
- 7 11 1 0
- 3 18 1 0
- 4 19 1 0
- 7 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1212-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- 2.4267 0.2113 -0.2117 C 0 0 0
- 1.1628 0.9438 -0.1015 N 0 0 0
- 3.4263 1.0381 -1.0230 C 0 0 0
- 2.9921 -0.0435 1.1870 C 0 0 0
- 0.0000 0.2699 0.0000 C 0 0 0
- 4.7463 0.2731 -1.1381 C 0 0 0
- 4.3121 -0.8085 1.0719 C 0 0 0
- -1.1628 0.9438 0.1013 N 0 0 0
- 0.0000 -1.4421 0.0002 S 0 0 0
- 5.3116 0.0183 0.2606 C 0 0 0
- -2.4267 0.2113 0.2117 C 0 0 0
- -3.4263 1.0383 1.0228 C 0 0 0
- -2.9921 -0.0437 -1.1870 C 0 0 0
- -4.7463 0.2733 1.1380 C 0 0 0
- -4.3121 -0.8087 -1.0717 C 0 0 0
- -5.3116 0.0183 -0.2606 C 0 0 0
- 1.9663 -0.6854 0.0000 H 0 0 0
- 1.1628 1.9518 0.0000 H 0 0 0
- 4.0310 1.8445 0.0000 H 0 0 0
- 2.6968 1.7337 0.0000 H 0 0 0
- 3.8483 0.4884 0.0000 H 0 0 0
- 2.9254 0.9623 0.0000 H 0 0 0
- 3.8901 -0.2588 0.0000 H 0 0 0
- 4.8130 -0.7327 0.0000 H 0 0 0
- 3.7074 -1.6149 0.0000 H 0 0 0
- 5.0416 -1.5040 0.0000 H 0 0 0
- -1.1628 1.9518 0.0000 H 0 0 0
- 6.0643 -0.6521 0.0000 H 0 0 0
- 5.8602 0.8639 0.0000 H 0 0 0
- -1.9662 -0.6853 0.0000 H 0 0 0
- -2.6967 1.7338 0.0000 H 0 0 0
- -4.0310 1.8448 0.0000 H 0 0 0
- -2.9256 0.9621 0.0000 H 0 0 0
- -3.8484 0.4881 0.0000 H 0 0 0
- -4.8128 -0.7325 0.0000 H 0 0 0
- -3.8900 -0.2585 0.0000 H 0 0 0
- -5.0417 -1.5042 0.0000 H 0 0 0
- -3.7074 -1.6152 0.0000 H 0 0 0
- -5.8604 0.8638 0.0000 H 0 0 0
- -6.0643 -0.6521 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 7 10 1 0
- 15 16 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.1728 0.5051 -0.0052 C 0 0 0
- 0.2009 -0.8579 -0.0023 C 0 0 0
- 0.8809 1.5241 -0.0178 C 0 0 0
- -1.5245 0.8528 0.0096 C 0 0 0
- 1.5701 -1.2126 -0.0110 C 0 0 0
- -0.7993 -1.8400 0.0098 C 0 0 0
- 2.2303 1.1051 -0.0265 C 0 0 0
- 0.5786 2.8871 -0.0218 C 0 0 0
- -2.4753 -0.1280 0.0269 C 0 0 0
- 2.5391 -0.2752 -0.0221 C 0 0 0
- 1.9473 -2.6440 -0.0073 N 0 3 0
- -2.1123 -1.4693 0.0185 C 0 0 0
- 3.2455 2.0721 -0.0386 C 0 0 0
- 1.5903 3.8044 -0.0341 C 0 0 0
- -3.9084 0.2422 0.0426 N 0 3 0
- 2.7906 -3.0495 0.7724 O 0 0 0
- 1.4145 -3.4162 -0.7840 O 0 5 0
- 2.9190 3.3965 -0.0417 C 0 0 0
- -4.7618 -0.6267 0.0579 O 0 0 0
- -4.2343 1.4158 0.0401 O 0 5 0
- -1.8077 1.8583 0.0000 H 0 0 0
- -0.5403 -2.8520 0.0000 H 0 0 0
- -0.4168 3.2038 0.0000 H 0 0 0
- 3.5398 -0.5748 0.0000 H 0 0 0
- -2.8549 -2.2039 0.0000 H 0 0 0
- 4.2483 1.7794 0.0000 H 0 0 0
- 1.3630 4.8240 0.0000 H 0 0 0
- 3.6781 4.1141 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 15 20 1 0
- 7 10 1 0
- 9 12 2 0
- 14 18 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-96-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.9917 0.2591 -0.0009 C 0 0 0
- -0.4510 0.5810 0.0001 C 0 0 0
- 1.9381 1.2841 0.0004 C 0 0 0
- 1.4128 -1.0714 0.0028 C 0 0 0
- -1.3479 -0.3952 -0.0012 C 0 0 0
- 3.2835 0.9769 -0.0005 C 0 0 0
- 2.7607 -1.3651 0.0019 C 0 0 0
- -2.7927 -0.0728 -0.0003 N 0 3 0
- 3.6943 -0.3438 -0.0027 C 0 0 0
- -3.1574 1.0893 0.0016 O 0 0 0
- -3.6167 -0.9697 -0.0014 O 0 5 0
- -0.7616 1.5707 0.0000 H 0 0 0
- 1.6312 2.2750 0.0000 H 0 0 0
- 0.7138 -1.8379 0.0000 H 0 0 0
- -1.0373 -1.3849 0.0000 H 0 0 0
- 3.9882 1.7381 0.0000 H 0 0 0
- 3.0750 -2.3537 0.0000 H 0 0 0
- 4.7067 -0.5697 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 7 9 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1689-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.0000 -2.1793 -0.0036 C 0 0 0
- -1.2093 -1.4785 -0.0026 C 0 0 0
- 1.2091 -1.4788 -0.0029 C 0 0 0
- -0.0001 -3.6113 0.0005 C 0 0 0
- -1.2050 -0.1004 -0.0009 C 0 0 0
- 1.2049 -0.1004 -0.0012 C 0 0 0
- -0.0001 -4.7473 0.0039 N 0 0 0
- 0.0002 0.5928 -0.0006 C 0 0 0
- -2.8404 0.8489 0.0004 Br 0 0 0
- 2.8404 0.8488 0.0005 Br 0 0 0
- 0.0002 1.9507 0.0006 O 0 0 0
- -2.1136 -1.9977 0.0000 H 0 0 0
- 2.1133 -1.9981 0.0000 H 0 0 0
- 0.0002 2.9935 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 3 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 11 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-35142-06-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.0327 0.6271 0.0584 C 0 0 0
- -0.7343 -0.5560 0.0913 C 0 0 0
- 1.4936 0.5180 0.0088 C 0 0 0
- -0.6030 1.8762 0.0675 C 0 0 0
- -2.1466 -0.4628 0.1406 C 0 0 0
- -0.0927 -1.8113 0.0744 C 0 0 0
- 2.0775 -0.7685 -0.0065 C 0 0 0
- 2.3081 1.6517 -0.0228 C 0 0 0
- -1.9912 1.9476 0.1098 C 0 0 0
- -0.1001 3.1427 0.0413 O 0 0 0
- -2.7538 0.7898 0.1542 C 0 0 0
- -2.9670 -1.6824 0.1768 C 0 0 0
- 1.2536 -1.9145 0.0274 C 0 0 0
- 3.4792 -0.8842 -0.0551 C 0 0 0
- 3.6663 1.5145 -0.0691 C 0 0 0
- -2.3593 3.2639 0.1093 O 0 0 0
- -1.2004 3.9860 -0.3466 C 0 0 0
- -3.9432 -1.8654 -0.7349 O 0 0 0
- -2.7652 -2.5257 1.0288 O 0 0 0
- 4.2545 0.2564 -0.0858 C 0 0 0
- 4.0643 -2.1095 -0.0713 O 0 0 0
- -4.7534 -3.0698 -0.6992 C 0 0 0
- 5.4758 -1.8926 -0.1214 C 0 0 0
- -0.6709 -2.6797 0.0000 H 0 0 0
- 1.8793 2.6028 0.0000 H 0 0 0
- -3.7948 0.8581 0.0000 H 0 0 0
- 1.6937 -2.8604 0.0000 H 0 0 0
- 4.2700 2.3654 0.0000 H 0 0 0
- -0.4713 4.7322 0.0000 H 0 0 0
- -1.8540 4.7991 0.0000 H 0 0 0
- 5.2944 0.1732 0.0000 H 0 0 0
- -5.6190 -2.4875 0.0000 H 0 0 0
- -5.3357 -3.9354 0.0000 H 0 0 0
- -3.8878 -3.6521 0.0000 H 0 0 0
- 5.6343 -2.9238 0.0000 H 0 0 0
- 6.5070 -1.7341 0.0000 H 0 0 0
- 5.3173 -0.8614 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 12 19 2 0
- 14 20 2 0
- 14 21 1 0
- 18 22 1 0
- 21 23 1 0
- 7 13 1 0
- 9 11 1 0
- 15 20 1 0
- 16 17 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 13 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 20 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
- 23 35 1 0
- 23 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.8257 0.5023 0.0015 C 0 0 0
- 0.2054 -0.7683 0.0003 C 0 0 0
- 2.2774 0.4204 0.0012 C 0 0 0
- -0.0267 1.6286 -0.0026 C 0 0 0
- -1.1662 -0.9103 0.0004 C 0 0 0
- 1.5854 -1.8802 -0.0011 S 0 0 0
- 2.8596 -0.7425 -0.0001 N 0 0 0
- 3.0237 1.5559 0.0018 O 0 0 0
- -1.3772 1.4682 -0.0075 C 0 0 0
- -1.9596 0.2064 0.0017 C 0 0 0
- 4.3937 1.1496 0.0013 C 0 0 0
- -3.4334 0.0694 0.0013 N 0 3 0
- -4.1374 1.0633 0.0024 O 0 0 0
- -3.9421 -1.0373 -0.0002 O 0 5 0
- 0.3815 2.5877 0.0000 H 0 0 0
- -1.5959 -1.8599 0.0000 H 0 0 0
- -1.9898 2.3114 0.0000 H 0 0 0
- 4.0973 0.1503 0.0000 H 0 0 0
- 5.3930 0.8532 0.0000 H 0 0 0
- 4.6901 2.1489 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 6 7 1 0
- 9 10 1 0
- 4 15 1 0
- 5 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84987-77-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 1.8255 0.4351 -0.1049 C 0 0 0
- 0.4929 -0.0333 -0.6302 C 0 0 0
- 2.7242 -0.4412 0.2801 C 0 0 0
- 2.1750 2.1332 -0.0156 Cl 0 0 0
- -0.5445 0.3926 0.2555 O 0 0 0
- 2.4468 -2.1364 0.0289 Cl 0 0 0
- -1.7763 -0.0795 -0.2940 C 0 0 0
- -2.9344 0.3449 0.6113 C 0 0 0
- -4.4886 -0.2506 -0.0820 Cl 0 0 0
- -0.1437 -0.8358 0.0000 H 0 0 0
- 1.0873 -0.8676 0.0000 H 0 0 0
- 3.6973 -0.1210 0.0000 H 0 0 0
- -2.3846 -0.9037 0.0000 H 0 0 0
- -1.1559 -0.8947 0.0000 H 0 0 0
- -2.3261 1.1691 0.0000 H 0 0 0
- -3.5547 1.1601 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2154-68-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 1.3363 -0.4166 -0.5907 N 0 0 0
- -0.0255 -0.8883 -0.2793 C 0 0 0
- 1.5567 0.8731 0.0976 C 0 0 0
- 2.2616 -1.3773 0.0101 O 0 0 0
- -0.6822 0.1757 0.6252 C 0 0 0
- -0.8311 -1.0423 -1.5710 C 0 0 0
- 0.0432 -2.2273 0.4576 C 0 0 0
- 0.1371 1.4552 0.3113 C 0 0 0
- 2.2479 0.6471 1.4438 C 0 0 0
- 2.3898 1.8096 -0.7797 C 0 0 0
- -2.1142 0.3798 0.2025 C 0 0 0
- -3.0961 -0.3117 0.8020 O 0 0 0
- -2.3785 1.1660 -0.6761 O 0 0 0
- 2.9423 -2.0841 0.0000 H 0 0 0
- -1.2197 -0.6453 0.0000 H 0 0 0
- -1.0154 -0.0785 0.0000 H 0 0 0
- -1.7949 -1.2266 0.0000 H 0 0 0
- -0.6468 -2.0061 0.0000 H 0 0 0
- -0.9368 -2.2776 0.0000 H 0 0 0
- 0.0935 -3.2073 0.0000 H 0 0 0
- 1.0232 -2.1770 0.0000 H 0 0 0
- 0.5633 2.3391 0.0000 H 0 0 0
- -0.7196 1.9337 0.0000 H 0 0 0
- 1.9429 -0.2856 0.0000 H 0 0 0
- 3.1806 0.3421 0.0000 H 0 0 0
- 2.5529 1.5798 0.0000 H 0 0 0
- 3.1230 1.1574 0.0000 H 0 0 0
- 3.0420 2.5428 0.0000 H 0 0 0
- 1.6566 2.4618 0.0000 H 0 0 0
- -3.8984 -0.8767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 11 12 1 0
- 11 13 2 0
- 5 8 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.2481 1.0455 0.1520 C 0 0 0
- 0.5857 -0.3234 0.1223 C 0 0 0
- 1.3130 2.0588 0.2542 C 0 0 0
- -1.0947 1.4284 0.0785 C 0 0 0
- 2.0051 -0.7275 0.1935 C 0 0 0
- -0.4183 -1.2802 0.0258 C 0 0 0
- 2.7175 1.6577 0.0177 C 0 0 0
- 1.0407 3.2114 0.5292 O 0 0 0
- -2.0869 0.4492 -0.0238 C 0 0 0
- -1.4397 2.7708 0.1063 N 0 0 0
- 3.0565 0.2925 -0.0118 C 0 0 0
- 2.3050 -1.8837 0.4183 O 0 0 0
- -1.7484 -0.8868 -0.0415 C 0 0 0
- 0.0273 -3.1175 -0.0144 Br 0 0 0
- 3.7048 2.6178 -0.1761 C 0 0 0
- -3.9049 0.9599 -0.1242 Br 0 0 0
- 4.3766 -0.0860 -0.2339 C 0 0 0
- 5.0133 2.2243 -0.3965 C 0 0 0
- 5.3469 0.8823 -0.4244 C 0 0 0
- -0.6966 3.4988 0.0000 H 0 0 0
- -2.4417 3.0503 0.0000 H 0 0 0
- -2.4984 -1.6078 0.0000 H 0 0 0
- 3.4579 3.6284 0.0000 H 0 0 0
- 4.6366 -1.0933 0.0000 H 0 0 0
- 5.7665 2.9419 0.0000 H 0 0 0
- 6.3491 0.6034 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 15 18 2 0
- 17 19 2 0
- 7 11 2 0
- 9 13 2 0
- 18 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 15 23 1 0
- 17 24 1 0
- 18 25 1 0
- 19 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-700-00-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -2.5239 -1.4542 0.0007 N 0 0 0
- -1.6317 -0.3962 0.0016 C 0 0 0
- -0.2453 -0.6250 0.0006 C 0 0 0
- -2.0662 0.8598 -0.0021 N 0 0 0
- 0.6109 0.4893 0.0011 C 0 0 0
- 0.5380 -1.7303 -0.0008 N 0 0 0
- -1.2224 1.8754 -0.0018 C 0 0 0
- 1.8871 -0.0145 -0.0001 N 0 0 0
- 0.0835 1.7090 0.0021 N 0 0 0
- 1.7897 -1.3742 -0.0012 C 0 0 0
- 3.1270 0.7658 -0.0001 C 0 0 0
- -3.5272 -1.2748 0.0000 H 0 0 0
- -2.1777 -2.4128 0.0000 H 0 0 0
- -1.5961 2.8236 0.0000 H 0 0 0
- 2.5806 -2.0171 0.0000 H 0 0 0
- 3.6699 -0.0968 0.0000 H 0 0 0
- 3.9896 1.3087 0.0000 H 0 0 0
- 2.5841 1.6284 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 2 0
- 11 8 1 0
- 7 9 1 0
- 8 10 1 0
- 1 12 1 0
- 1 13 1 0
- 7 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-933-78-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.9278 -0.4517 0.0022 C 0 0 0
- -0.0498 -1.5266 0.0019 C 0 0 0
- -0.4360 0.8417 0.0012 C 0 0 0
- -2.6414 -0.7296 -0.0035 Cl 0 0 0
- 1.3189 -1.3016 0.0006 C 0 0 0
- -0.5305 -2.7980 0.0033 O 0 0 0
- 0.9296 1.0631 -0.0005 C 0 0 0
- -1.5331 2.1870 0.0016 Cl 0 0 0
- 1.8061 -0.0077 -0.0003 C 0 0 0
- 3.5192 0.2739 -0.0013 Cl 0 0 0
- 1.9777 -2.1051 0.0000 H 0 0 0
- -0.8980 -3.7699 0.0000 H 0 0 0
- 1.2976 2.0348 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14692-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.5899 -0.6387 -0.0010 C 0 0 0
- -0.8569 -0.4449 -0.0007 C 0 0 0
- 1.4165 0.4898 -0.0005 C 0 0 0
- 1.3896 -1.7211 0.0036 N 0 0 0
- -1.3728 0.8733 0.0001 C 0 0 0
- -1.7453 -1.5280 -0.0016 C 0 0 0
- 0.8602 1.7719 0.0007 C 0 0 0
- 2.7105 0.0111 -0.0010 N 0 0 0
- 2.6374 -1.3455 0.0006 C 0 0 0
- -0.4821 1.9647 0.0006 C 0 0 0
- -2.6953 1.0658 0.0009 N 0 0 0
- -3.0880 -1.2625 -0.0017 C 0 0 0
- 3.9348 0.8157 -0.0014 C 0 0 0
- -3.5324 0.0558 0.0009 C 0 0 0
- -1.3946 -2.5061 0.0000 H 0 0 0
- 1.4907 2.5978 0.0000 H 0 0 0
- 3.4544 -1.9876 0.0000 H 0 0 0
- -0.8596 2.9328 0.0000 H 0 0 0
- -3.7735 -2.0434 0.0000 H 0 0 0
- 4.5055 -0.0527 0.0000 H 0 0 0
- 4.8032 1.3864 0.0000 H 0 0 0
- 3.3641 1.6841 0.0000 H 0 0 0
- -4.5540 0.2454 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 2 0
- 7 10 1 0
- 8 9 1 0
- 12 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96563-07-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.5439 -0.3531 -0.0353 C 0 0 0
- -0.9176 -0.6097 -0.0178 C 0 0 0
- 0.7735 1.0086 -0.2095 C 0 0 0
- 1.6305 -1.2202 0.0940 C 0 0 0
- -1.6012 0.5918 -0.1809 C 0 0 0
- -1.6406 -1.7951 0.1282 C 0 0 0
- -0.5708 1.6866 -0.3119 C 0 0 0
- 2.0628 1.4953 -0.2584 C 0 0 0
- 2.9167 -0.7248 0.0422 C 0 0 0
- -2.9799 0.6101 -0.1981 C 0 0 0
- -3.0194 -1.7673 0.1098 C 0 0 0
- -0.7310 2.6783 0.8422 C 0 0 0
- 3.1350 0.6298 -0.1342 C 0 0 0
- 4.0884 -1.6621 0.1826 C 0 0 0
- -3.6901 -0.5683 -0.0529 C 0 0 0
- 1.4729 -2.2424 0.0000 H 0 0 0
- -1.1434 -2.7021 0.0000 H 0 0 0
- -1.5597 1.9898 0.0000 H 0 0 0
- 2.2267 2.5165 0.0000 H 0 0 0
- -3.4826 1.5140 0.0000 H 0 0 0
- -3.5516 -2.6542 0.0000 H 0 0 0
- 0.2901 2.8432 0.0000 H 0 0 0
- -0.8959 3.6994 0.0000 H 0 0 0
- -1.7521 2.5134 0.0000 H 0 0 0
- 4.1008 0.9999 0.0000 H 0 0 0
- 3.4423 -2.4698 0.0000 H 0 0 0
- 4.8961 -2.3082 0.0000 H 0 0 0
- 4.7345 -0.8544 0.0000 H 0 0 0
- -4.7243 -0.5516 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 5 7 1 0
- 9 13 1 0
- 11 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67392-87-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 63 1 V2000
- 3.0801 0.0202 0.2618 C 0 0 2
- 1.6655 -0.2402 -0.2170 C 0 0 2
- 3.1681 1.5561 0.3923 C 0 0 2
- 4.0817 -0.4809 -0.6498 O 0 0 0
- 3.3514 -0.6410 1.6219 C 0 0 0
- 0.8446 0.8273 0.5536 C 0 0 1
- 1.0590 -1.5919 0.0972 C 0 0 0
- 1.5721 0.0229 -1.7213 C 0 0 0
- 1.7113 2.0753 0.5035 C 0 0 2
- 2.4842 2.2293 -0.8038 C 0 0 0
- 5.1022 -1.0475 0.0115 C 0 0 0
- 4.8598 -0.9719 1.5043 C 0 0 0
- -0.5124 0.9024 -0.1167 C 0 0 1
- -0.3727 -1.5975 -0.4687 C 0 0 0
- 6.0728 -1.5453 -0.5081 O 0 0 0
- -1.1968 -0.4513 0.1057 C 0 0 2
- -1.3286 2.0696 0.3762 C 0 0 2
- -2.5776 -0.3992 -0.5385 C 0 0 2
- -2.8243 1.9378 0.5312 C 0 0 1
- -2.2592 2.6481 -0.6963 C 0 0 0
- -3.4105 0.5833 0.2217 C 0 0 0
- -3.1758 -1.7632 -0.7522 C 0 0 0
- -2.3758 0.1950 -1.9339 C 0 0 0
- -4.6315 0.3010 0.6823 C 0 0 0
- -4.1441 -2.1627 0.3607 C 0 0 0
- -5.1703 -1.0519 0.4895 C 0 0 0
- -6.3630 -1.2683 0.4369 O 0 0 0
- 4.1192 1.9228 0.0000 H 0 0 0
- 2.3500 -0.8311 0.0000 H 0 0 0
- 3.3369 -1.6602 0.0000 H 0 0 0
- 0.3691 -0.0743 0.0000 H 0 0 0
- 0.9188 -2.6015 0.0000 H 0 0 0
- 2.0386 -1.8735 0.0000 H 0 0 0
- 2.5327 0.3639 0.0000 H 0 0 0
- 1.2311 0.9835 0.0000 H 0 0 0
- 0.6115 -0.3181 0.0000 H 0 0 0
- 1.1525 2.9278 0.0000 H 0 0 0
- 3.3287 2.8001 0.0000 H 0 0 0
- 2.0915 3.1699 0.0000 H 0 0 0
- 5.5890 -0.2596 0.0000 H 0 0 0
- 4.5792 0.0080 0.0000 H 0 0 0
- -0.0166 1.7930 0.0000 H 0 0 0
- -1.3047 -2.0102 0.0000 H 0 0 0
- -0.1598 -2.5943 0.0000 H 0 0 0
- -1.6788 -1.3494 0.0000 H 0 0 0
- -0.6276 2.8096 0.0000 H 0 0 0
- -3.6984 2.4621 0.0000 H 0 0 0
- -1.6880 3.4924 0.0000 H 0 0 0
- -3.0808 3.2514 0.0000 H 0 0 0
- -3.0506 -2.7748 0.0000 H 0 0 0
- -2.1672 -1.9106 0.0000 H 0 0 0
- -1.4106 -0.1328 0.0000 H 0 0 0
- -2.0480 1.1602 0.0000 H 0 0 0
- -3.3410 0.5228 0.0000 H 0 0 0
- -5.2955 1.0743 0.0000 H 0 0 0
- -4.9691 -2.7613 0.0000 H 0 0 0
- -3.6470 -3.0526 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 11 15 2 0
- 13 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 18 22 1 0
- 18 23 1 0
- 21 24 2 0
- 22 25 1 0
- 24 26 1 0
- 26 27 2 0
- 6 9 1 0
- 9 10 1 0
- 11 12 1 0
- 14 16 1 0
- 19 20 1 0
- 19 21 1 0
- 25 26 1 0
- 3 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 16 45 1 0
- 17 46 1 0
- 19 47 1 0
- 20 48 1 0
- 20 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 25 56 1 0
- 25 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110417-88-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-123125 1 V2000
- -1.5217 -0.6797 0.2537 C 0 0 0
- -0.0313 -0.6746 0.4768 C 0 0 0
- 0.5811 -1.7211 0.5059 O 0 0 0
- -0.0101 1.8186 0.7754 C 0 0 0
- 0.6211 0.4928 0.6439 N 0 0 0
- 2.0800 0.6550 0.7261 C 0 0 0
- 2.3649 2.1627 0.8914 C 0 0 0
- 1.0800 2.8231 0.3255 C 0 0 0
- 2.6091 -0.1007 1.9467 C 0 0 0
- 1.5489 -0.8568 2.5352 O 0 0 0
- 1.5973 -0.6103 3.9419 C 0 0 0
- 3.7310 -1.0468 1.5139 C 0 0 0
- 3.1552 -2.1431 0.6153 C 0 0 0
- 4.7763 -0.2718 0.7538 C 0 0 0
- 4.6325 0.9178 0.5665 O 0 0 0
- 5.8711 -0.9007 0.2821 N 0 0 0
- 6.8873 -0.1473 -0.4567 C 0 0 0
- 7.9172 0.3848 0.5063 C 0 0 0
- 9.5552 0.3428 2.1113 C 0 0 0
- 9.6128 1.6980 2.0591 C 0 0 0
- 8.3676 2.0320 0.8215 S 0 0 0
- 8.6998 -0.2779 1.3262 N 0 0 0
- 7.5666 -1.0681 -1.4724 C 0 0 0
- 8.6306 -0.3002 -2.2136 C 0 0 0
- 9.9467 -0.3627 -1.7947 C 0 0 0
- 10.9225 0.3415 -2.4745 C 0 0 0
- 10.5825 1.1086 -3.5734 C 0 0 0
- 9.2668 1.1711 -3.9922 C 0 0 0
- 8.2916 0.4620 -3.3156 C 0 0 0
- -2.0195 -2.1239 0.1677 C 0 0 0
- -2.3027 -2.6091 1.4817 O 0 0 0
- -1.5257 -3.7951 1.6603 C 0 0 0
- -3.2922 -2.1750 -0.6800 C 0 0 0
- -3.7148 -3.6320 -0.8782 C 0 0 0
- -5.0569 -3.6785 -1.6113 C 0 0 0
- -6.0670 -4.4682 -0.7764 C 0 0 0
- -2.6556 -4.3621 -1.7065 C 0 0 0
- -4.3631 -1.4444 0.0024 N 0 0 0
- -4.7276 -1.7943 1.3775 C 0 0 0
- -5.0129 -0.4504 -0.6349 C 0 0 0
- -4.9388 -0.3534 -1.8416 O 0 0 0
- -5.8316 0.5404 0.1519 C 0 0 0
- -4.9448 1.7136 0.5740 C 0 0 0
- -4.4718 2.4687 -0.6697 C 0 0 0
- -5.7443 2.6599 1.4719 C 0 0 0
- -6.9318 1.0346 -0.6799 N 0 0 0
- -8.1675 1.1612 -0.1571 C 0 0 0
- -8.3631 0.8921 1.0092 O 0 0 0
- -9.3063 1.6371 -1.0217 C 0 0 0
- -10.4867 0.7956 -0.7838 N 0 0 0
- -11.3474 0.9316 -1.9664 C 0 0 0
- -10.0157 -0.5957 -0.7622 C 0 0 0
- -9.6375 3.0900 -0.6746 C 0 0 0
- -9.8692 3.2141 0.8326 C 0 0 0
- -8.4721 3.9913 -1.0874 C 0 0 0
- -1.4177 0.2763 0.0000 H 0 0 0
- -2.4601 -0.4697 0.0000 H 0 0 0
- -0.5878 2.5873 0.0000 H 0 0 0
- -0.8327 1.3206 0.0000 H 0 0 0
- 3.0201 0.8574 0.0000 H 0 0 0
- 3.2883 1.8944 0.0000 H 0 0 0
- 2.7205 3.0562 0.0000 H 0 0 0
- 1.6165 3.6211 0.0000 H 0 0 0
- 0.3502 3.4492 0.0000 H 0 0 0
- 3.3189 0.5481 0.0000 H 0 0 0
- 2.5409 -0.7956 0.0000 H 0 0 0
- 1.7826 0.3333 0.0000 H 0 0 0
- 0.6537 -0.4250 0.0000 H 0 0 0
- 4.4614 -1.6723 0.0000 H 0 0 0
- 2.3039 -1.6960 0.0000 H 0 0 0
- 2.7081 -2.9944 0.0000 H 0 0 0
- 4.0065 -2.5902 0.0000 H 0 0 0
- 5.9271 -1.8607 0.0000 H 0 0 0
- 6.3786 0.6687 0.0000 H 0 0 0
- 10.4024 -0.1121 0.0000 H 0 0 0
- 10.3880 2.2670 0.0000 H 0 0 0
- 6.7908 -1.6363 0.0000 H 0 0 0
- 8.1321 -1.8459 0.0000 H 0 0 0
- 10.2206 -1.2845 0.0000 H 0 0 0
- 11.8507 0.0904 0.0000 H 0 0 0
- 11.1259 1.9020 0.0000 H 0 0 0
- 8.9913 2.0924 0.0000 H 0 0 0
- 7.3627 0.7109 0.0000 H 0 0 0
- -1.1455 -2.5249 0.0000 H 0 0 0
- -2.3301 -4.3221 0.0000 H 0 0 0
- -0.9987 -4.5995 0.0000 H 0 0 0
- -0.7213 -3.2681 0.0000 H 0 0 0
- -3.0271 -1.2506 0.0000 H 0 0 0
- -3.9846 -4.5550 0.0000 H 0 0 0
- -4.7918 -2.7542 0.0000 H 0 0 0
- -5.8542 -3.1409 0.0000 H 0 0 0
- -6.6593 -3.7106 0.0000 H 0 0 0
- -6.8246 -5.0605 0.0000 H 0 0 0
- -5.4747 -5.2258 0.0000 H 0 0 0
- -3.2013 -5.1539 0.0000 H 0 0 0
- -1.8638 -4.9078 0.0000 H 0 0 0
- -2.1099 -3.5704 0.0000 H 0 0 0
- -5.3935 -1.1006 0.0000 H 0 0 0
- -5.4213 -2.4602 0.0000 H 0 0 0
- -4.0617 -2.4880 0.0000 H 0 0 0
- -6.4145 -0.2244 0.0000 H 0 0 0
- -4.1530 1.1679 0.0000 H 0 0 0
- -3.6569 1.9582 0.0000 H 0 0 0
- -3.9613 3.2836 0.0000 H 0 0 0
- -5.2867 2.9792 0.0000 H 0 0 0
- -5.0097 3.2805 0.0000 H 0 0 0
- -6.3649 3.3945 0.0000 H 0 0 0
- -6.4789 2.0393 0.0000 H 0 0 0
- -6.6826 1.9634 0.0000 H 0 0 0
- -8.5705 2.2563 0.0000 H 0 0 0
- -11.1973 1.8814 0.0000 H 0 0 0
- -12.2972 1.0817 0.0000 H 0 0 0
- -11.4975 -0.0182 0.0000 H 0 0 0
- -10.9265 -0.9040 0.0000 H 0 0 0
- -9.7074 -1.5065 0.0000 H 0 0 0
- -9.1049 -0.2874 0.0000 H 0 0 0
- -10.4021 2.5068 0.0000 H 0 0 0
- -9.4152 4.0618 0.0000 H 0 0 0
- -10.7169 3.6681 0.0000 H 0 0 0
- -10.3232 2.3664 0.0000 H 0 0 0
- -7.8838 3.2306 0.0000 H 0 0 0
- -7.7114 4.5796 0.0000 H 0 0 0
- -9.0604 4.7520 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 5 2 1 0
- 6 5 1 0
- 7 6 1 0
- 8 4 1 0
- 9 6 1 0
- 10 9 1 0
- 11 10 1 0
- 12 9 1 0
- 13 12 1 0
- 14 12 1 0
- 15 14 2 0
- 16 14 1 0
- 17 16 1 0
- 18 17 1 0
- 20 19 2 0
- 21 18 1 0
- 22 18 2 0
- 23 17 1 0
- 24 23 1 0
- 25 24 1 0
- 26 25 2 0
- 27 26 1 0
- 28 27 2 0
- 29 24 2 0
- 30 1 1 0
- 31 30 1 0
- 32 31 1 0
- 33 30 1 0
- 34 33 1 0
- 35 34 1 0
- 36 35 1 0
- 37 34 1 0
- 38 33 1 0
- 39 38 1 0
- 40 38 1 0
- 41 40 2 0
- 42 40 1 0
- 43 42 1 0
- 44 43 1 0
- 45 43 1 0
- 46 42 1 0
- 47 46 1 0
- 48 47 2 0
- 49 47 1 0
- 50 49 1 0
- 51 50 1 0
- 52 50 1 0
- 53 49 1 0
- 54 53 1 0
- 55 53 1 0
- 4 5 1 0
- 7 8 1 0
- 20 21 1 0
- 19 22 1 0
- 28 29 1 0
- 1 56 1 0
- 1 57 1 0
- 4 58 1 0
- 4 59 1 0
- 6 60 1 0
- 7 61 1 0
- 7 62 1 0
- 8 63 1 0
- 8 64 1 0
- 9 65 1 0
- 11 66 1 0
- 11 67 1 0
- 11 68 1 0
- 12 69 1 0
- 13 70 1 0
- 13 71 1 0
- 13 72 1 0
- 16 73 1 0
- 17 74 1 0
- 19 75 1 0
- 20 76 1 0
- 23 77 1 0
- 23 78 1 0
- 25 79 1 0
- 26 80 1 0
- 27 81 1 0
- 28 82 1 0
- 29 83 1 0
- 30 84 1 0
- 32 85 1 0
- 32 86 1 0
- 32 87 1 0
- 33 88 1 0
- 34 89 1 0
- 35 90 1 0
- 35 91 1 0
- 36 92 1 0
- 36 93 1 0
- 36 94 1 0
- 37 95 1 0
- 37 96 1 0
- 37 97 1 0
- 39 98 1 0
- 39 99 1 0
- 39100 1 0
- 42101 1 0
- 43102 1 0
- 44103 1 0
- 44104 1 0
- 44105 1 0
- 45106 1 0
- 45107 1 0
- 45108 1 0
- 46109 1 0
- 49110 1 0
- 51111 1 0
- 51112 1 0
- 51113 1 0
- 52114 1 0
- 52115 1 0
- 52116 1 0
- 53117 1 0
- 54118 1 0
- 54119 1 0
- 54120 1 0
- 55121 1 0
- 55122 1 0
- 55123 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19331-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.0772 0.9076 0.0035 C 0 0 0
- -0.7884 -0.3150 0.0016 C 0 0 0
- 1.3008 0.9497 0.0031 C 0 0 0
- -1.3740 2.1155 -0.0009 S 0 0 0
- -2.2275 -0.1284 0.0025 C 0 0 0
- -0.0191 -1.5006 -0.0008 C 0 0 0
- 2.0112 -0.2215 0.0007 C 0 0 0
- -2.7256 1.0706 -0.0049 N 0 0 0
- -3.2823 -1.5073 0.0005 Cl 0 0 0
- 1.3392 -1.4380 -0.0013 C 0 0 0
- 3.4911 -0.1915 -0.0004 N 0 3 0
- 4.1213 -1.2337 -0.0025 O 0 0 0
- 4.0786 0.8755 0.0009 O 0 5 0
- 1.8025 1.8734 0.0000 H 0 0 0
- -0.4994 -2.4356 0.0000 H 0 0 0
- 1.8941 -2.3308 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 5 8 2 0
- 7 10 1 0
- 3 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-45-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -1.6996 -0.1906 0.0820 C 0 0 0
- -2.9072 0.5928 0.0075 C 0 0 0
- -0.3732 0.4448 0.1325 C 0 0 0
- -1.8427 -1.5625 0.1097 C 0 0 0
- -4.0734 -0.0807 -0.0341 C 0 0 0
- 0.7367 -0.3167 0.2019 N 0 0 0
- -0.2785 1.6574 0.1117 O 0 0 0
- -3.5585 -1.7843 0.0371 S 0 0 0
- -5.4482 0.4629 -0.1115 N 0 3 0
- 1.9995 0.2784 0.1171 C 0 0 0
- -6.4017 -0.2943 -0.1411 O 0 0 0
- -5.6257 1.6674 -0.1457 O 0 5 0
- 3.1392 -0.5132 0.0530 C 0 0 0
- 2.1165 1.6619 0.0909 C 0 0 0
- 4.3845 0.0775 -0.0312 C 0 0 0
- 3.3651 2.2465 0.0066 C 0 0 0
- 4.4978 1.4558 -0.0517 C 0 0 0
- 5.5994 -0.7653 -0.0990 N 0 3 0
- 6.6982 -0.2450 -0.1732 O 0 0 0
- 5.5004 -1.9791 -0.0805 O 0 5 0
- -2.8804 1.6285 0.0000 H 0 0 0
- -1.1011 -2.2860 0.0000 H 0 0 0
- 0.6534 -1.3494 0.0000 H 0 0 0
- 3.0543 -1.5457 0.0000 H 0 0 0
- 1.2665 2.2543 0.0000 H 0 0 0
- 3.4539 3.2787 0.0000 H 0 0 0
- 5.4353 1.8968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 8 1 0
- 16 17 2 0
- 2 21 1 0
- 4 22 1 0
- 6 23 1 0
- 13 24 1 0
- 14 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-716-53-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.2047 1.2851 -0.0028 C 0 0 0
- -1.2053 -0.1811 -0.0020 C 0 0 0
- 0.0000 1.9862 -0.0023 C 0 0 0
- -2.4425 1.9637 0.0018 C 0 0 0
- 0.0001 -0.8834 -0.0007 C 0 0 0
- -2.4431 -0.8589 -0.0020 C 0 0 0
- 1.2045 1.2853 -0.0010 C 0 0 0
- -3.5974 1.2503 0.0068 C 0 0 0
- 1.2052 -0.1812 -0.0002 C 0 0 0
- 0.0002 -2.6194 0.0009 Cl 0 0 0
- -3.5978 -0.1450 -0.0028 C 0 0 0
- 2.4424 1.9639 0.0000 C 0 0 0
- 2.4431 -0.8589 0.0006 C 0 0 0
- 3.5972 1.2505 0.0017 C 0 0 0
- 3.5976 -0.1448 0.0006 C 0 0 0
- 0.0000 3.0327 0.0000 H 0 0 0
- -2.4696 3.0098 0.0000 H 0 0 0
- -2.4707 -1.9050 0.0000 H 0 0 0
- -4.5113 1.7601 0.0000 H 0 0 0
- -4.5119 -0.6544 0.0000 H 0 0 0
- 2.4696 3.0100 0.0000 H 0 0 0
- 2.4709 -1.9050 0.0000 H 0 0 0
- 4.5111 1.7603 0.0000 H 0 0 0
- 4.5118 -0.6541 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 11 1 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2675-77-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.0822 0.8639 0.0016 C 0 0 0
- -1.2893 -0.5082 0.0005 C 0 0 0
- 0.2088 1.3704 0.0017 C 0 0 0
- -2.1455 1.7121 -0.0032 O 0 0 0
- -0.2084 -1.3705 -0.0005 C 0 0 0
- -2.9054 -1.1422 0.0008 Cl 0 0 0
- 1.2893 0.5085 0.0008 C 0 0 0
- -1.6152 3.0391 -0.0006 C 0 0 0
- 1.0822 -0.8642 -0.0003 C 0 0 0
- 2.9054 1.1425 0.0004 Cl 0 0 0
- 2.1454 -1.7123 -0.0008 O 0 0 0
- 1.6152 -3.0393 -0.0014 C 0 0 0
- 0.3640 2.3992 0.0000 H 0 0 0
- -0.3636 -2.3993 0.0000 H 0 0 0
- -0.6491 2.6530 0.0000 H 0 0 0
- -1.2291 4.0052 0.0000 H 0 0 0
- -2.5813 3.4252 0.0000 H 0 0 0
- 0.6490 -2.6533 0.0000 H 0 0 0
- 1.2292 -4.0055 0.0000 H 0 0 0
- 2.5814 -3.4253 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 7 9 1 0
- 3 13 1 0
- 5 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135086-91-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- -3.3990 -0.5778 -0.0011 C 0 0 0
- -4.8692 -0.5588 -0.0010 C 0 0 0
- -2.9887 0.7544 0.0001 C 0 0 0
- -2.4887 -1.5643 0.0028 N 0 0 0
- -5.2492 0.7942 0.0002 C 0 0 0
- -5.8445 -1.5564 -0.0018 C 0 0 0
- -4.1051 1.5630 0.0008 N 0 0 0
- -1.6013 1.0344 0.0007 C 0 0 0
- -1.2269 -1.3165 0.0016 N 0 0 0
- -6.6036 1.1201 0.0006 C 0 0 0
- -7.1677 -1.2147 -0.0015 C 0 0 0
- -0.7381 -0.0054 0.0001 N 0 0 0
- -1.1951 2.1847 0.0013 O 0 0 0
- -7.5498 0.1195 -0.0003 C 0 0 0
- 0.6432 0.2289 0.0006 N 0 0 0
- 1.4719 -0.7719 0.0000 C 0 0 0
- 2.9251 -0.5254 0.0006 C 0 0 0
- 3.8191 -1.5991 -0.0001 C 0 0 0
- 3.4153 0.7833 -0.0042 C 0 0 0
- 5.1778 -1.3607 0.0000 C 0 0 0
- 4.7761 1.0062 -0.0041 C 0 0 0
- 5.6558 -0.0623 0.0006 C 0 0 0
- 7.1152 0.1852 0.0007 N 0 3 0
- 7.5392 1.3270 0.0012 O 0 0 0
- 7.8920 -0.7529 0.0001 O 0 5 0
- -5.5657 -2.5561 0.0000 H 0 0 0
- -4.0868 2.6007 0.0000 H 0 0 0
- -6.8990 2.1150 0.0000 H 0 0 0
- -7.8919 -1.9581 0.0000 H 0 0 0
- -8.5581 0.3655 0.0000 H 0 0 0
- 1.1106 -1.7448 0.0000 H 0 0 0
- 3.4619 -2.5735 0.0000 H 0 0 0
- 2.7568 1.5855 0.0000 H 0 0 0
- 5.8431 -2.1573 0.0000 H 0 0 0
- 5.1415 1.9776 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 22 23 1 0
- 23 24 2 0
- 23 25 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 1 0
- 6 26 1 0
- 7 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-439-14-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.1960 1.0813 -0.4812 C 0 0 0
- -0.3408 -0.2552 -0.1808 C 0 0 0
- 1.5882 1.3700 -0.0652 C 0 0 0
- -0.4511 2.0159 -1.0824 N 0 0 0
- -1.6434 -0.4687 0.2650 C 0 0 0
- 0.5142 -1.3541 -0.3569 C 0 0 0
- 2.5736 1.5948 -1.0261 C 0 0 0
- 1.9176 1.4238 1.2892 C 0 0 0
- -1.8303 1.8336 -1.5328 C 0 0 0
- -2.5546 0.5557 0.4725 N 0 0 0
- -2.0736 -1.7718 0.5240 C 0 0 0
- 0.0736 -2.6316 -0.0957 C 0 0 0
- 3.8686 1.8638 -0.6324 C 0 0 0
- 3.2157 1.6936 1.6703 C 0 0 0
- -2.7096 1.6129 -0.3323 C 0 0 0
- -3.4157 0.4642 1.6542 C 0 0 0
- -1.2238 -2.8409 0.3456 C 0 0 0
- 1.1429 -3.9810 -0.3179 Cl 0 0 0
- 4.1902 1.9106 0.7122 C 0 0 0
- -3.5788 2.4204 -0.0804 O 0 0 0
- 1.4918 -1.1918 0.0000 H 0 0 0
- 2.3626 2.5631 0.0000 H 0 0 0
- 2.0983 0.4494 0.0000 H 0 0 0
- -1.4868 2.7631 0.0000 H 0 0 0
- -2.4922 2.5712 0.0000 H 0 0 0
- -3.0492 -1.9457 0.0000 H 0 0 0
- 3.6964 2.8397 0.0000 H 0 0 0
- 3.4242 0.7248 0.0000 H 0 0 0
- -3.5204 1.4496 0.0000 H 0 0 0
- -4.4011 0.3595 0.0000 H 0 0 0
- -3.3110 -0.5212 0.0000 H 0 0 0
- -1.5818 -3.7650 0.0000 H 0 0 0
- 5.1649 2.0898 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 10 15 1 0
- 12 17 1 0
- 14 19 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38965-71-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.5630 -0.7743 -0.0413 C 0 0 0
- -0.5978 0.0266 -0.0284 C 0 0 0
- 1.8726 -0.1166 -0.0090 C 0 0 0
- 0.4519 -2.1710 -0.0784 C 0 0 0
- -0.4834 1.4310 0.0166 C 0 0 0
- -1.8685 -0.5979 -0.0606 C 0 0 0
- 1.9217 1.2948 0.0357 C 0 0 0
- 3.0585 -0.8536 -0.0221 C 0 0 0
- -0.8048 -2.7662 -0.1032 C 0 0 0
- 1.4003 -3.1496 -0.0971 O 0 0 0
- 0.7225 2.0396 0.0473 C 0 0 0
- -1.7116 2.2572 0.0299 N 0 3 0
- -1.9521 -1.9869 -0.1028 C 0 0 0
- -3.0927 0.2163 -0.0491 C 0 0 0
- 3.1741 1.9360 0.0678 C 0 0 0
- 4.2623 -0.2090 0.0089 C 0 0 0
- -0.6428 -4.1230 -0.1370 O 0 0 0
- 0.7147 -4.3577 0.2808 C 0 0 0
- -2.0337 2.8856 -0.9625 O 0 0 0
- -2.4001 2.3087 1.0333 O 0 5 0
- -3.9474 0.1338 0.9903 O 0 0 0
- -3.3343 0.9637 -0.9769 O 0 0 0
- 4.3264 1.1777 0.0541 C 0 0 0
- 3.2477 3.2913 0.1114 O 0 0 0
- 3.0249 -1.8949 0.0000 H 0 0 0
- 0.7685 3.0804 0.0000 H 0 0 0
- -2.8870 -2.4466 0.0000 H 0 0 0
- 5.1435 -0.7648 0.0000 H 0 0 0
- 0.4206 -5.3571 0.0000 H 0 0 0
- 1.6738 -4.7645 0.0000 H 0 0 0
- -4.9844 0.0337 0.0000 H 0 0 0
- 5.2546 1.6507 0.0000 H 0 0 0
- 3.3042 4.3316 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 2 0
- 12 20 1 0
- 14 21 1 0
- 14 22 2 0
- 15 23 2 0
- 15 24 1 0
- 7 11 1 0
- 9 13 1 0
- 16 23 1 0
- 17 18 1 0
- 8 25 1 0
- 11 26 1 0
- 13 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 21 31 1 0
- 23 32 1 0
- 24 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13523-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 2.2794 -1.1911 -0.1182 N 0 0 0
- 1.1382 -0.8568 0.6227 N 0 0 0
- 3.4151 -0.3805 -0.0552 C 0 0 0
- -0.0298 -0.6228 -0.0077 C 0 0 0
- 4.5472 -0.7104 -0.7891 C 0 0 0
- 3.4128 0.7608 0.7371 C 0 0 0
- -1.2573 -0.2633 0.7892 C 0 0 0
- -0.0931 -0.7016 -1.2163 O 0 0 0
- 5.6684 0.0937 -0.7249 C 0 0 0
- 4.5371 1.5602 0.7966 C 0 0 0
- -2.4379 -0.0511 -0.1605 C 0 0 0
- 5.6646 1.2259 0.0687 C 0 0 0
- -3.6841 0.3139 0.6485 C 0 0 0
- -4.8469 0.5229 -0.2870 C 0 0 0
- -3.9973 -0.7751 1.5833 N 0 0 0
- -5.5589 -0.4074 -0.5830 O 0 0 0
- -5.0918 1.7424 -0.7913 O 0 0 0
- 2.4281 -2.0705 0.0000 H 0 0 0
- 1.3514 0.0092 0.0000 H 0 0 0
- 4.6975 -1.5895 0.0000 H 0 0 0
- 2.6198 1.1690 0.0000 H 0 0 0
- -0.6346 0.3752 0.0000 H 0 0 0
- -1.5294 0.5860 0.0000 H 0 0 0
- 6.4625 -0.3123 0.0000 H 0 0 0
- 4.3907 2.4400 0.0000 H 0 0 0
- -3.0606 -0.6896 0.0000 H 0 0 0
- -2.1658 -0.9004 0.0000 H 0 0 0
- 6.3784 1.7606 0.0000 H 0 0 0
- -3.4796 1.1820 0.0000 H 0 0 0
- -4.8628 -0.9902 0.0000 H 0 0 0
- -3.3783 -1.4171 0.0000 H 0 0 0
- -5.2674 2.6168 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 9 2 0
- 13 11 1 0
- 14 13 1 0
- 15 13 1 0
- 16 14 2 0
- 17 14 1 0
- 10 12 1 0
- 1 18 1 0
- 2 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-940-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.2956 -0.0276 0.0037 C 0 0 0
- -0.7914 -1.3153 0.0030 C 0 0 0
- -0.4349 1.0544 0.0027 C 0 0 0
- -2.7592 0.1927 -0.0007 N 0 3 0
- 0.5739 -1.5237 0.0014 C 0 0 0
- 0.9317 0.8516 0.0011 C 0 0 0
- -3.2045 1.3264 -0.0001 O 0 0 0
- -3.5184 -0.7597 -0.0050 O 0 5 0
- 1.4401 -0.4393 0.0005 C 0 0 0
- 2.7838 -0.6416 -0.0007 O 0 0 0
- 3.3647 0.5842 -0.0014 C 0 0 0
- 4.6779 0.6908 -0.0026 C 0 0 0
- -1.4384 -2.1244 0.0000 H 0 0 0
- -0.8151 2.0181 0.0000 H 0 0 0
- 0.9511 -2.4886 0.0000 H 0 0 0
- 1.5762 1.6627 0.0000 H 0 0 0
- 2.7758 1.4365 0.0000 H 0 0 0
- 5.2668 -0.1616 0.0000 H 0 0 0
- 5.1216 1.6270 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 2 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1679-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -5.8898 -1.5254 0.0000 C 0 0 0
- -5.0124 -0.3002 0.0008 C 0 0 0
- -3.6161 -0.4340 0.0007 C 0 0 0
- -5.5727 0.9431 -0.0039 C 0 0 0
- -2.8124 0.7296 0.0015 C 0 0 0
- -3.0073 -1.7083 0.0002 C 0 0 0
- -4.7792 2.0847 -0.0032 C 0 0 0
- -1.3551 0.5801 0.0013 C 0 0 0
- -3.4171 1.9887 0.0021 C 0 0 0
- -1.6622 -1.8423 0.0004 C 0 0 0
- -0.8124 -0.7207 0.0003 C 0 0 0
- -0.5079 1.6977 0.0016 C 0 0 0
- 0.6418 -0.8721 0.0000 C 0 0 0
- 0.8421 1.5571 0.0009 C 0 0 0
- 1.4408 0.2889 0.0007 C 0 0 0
- 1.2424 -2.1447 -0.0004 C 0 0 0
- 2.8977 0.1350 0.0003 C 0 0 0
- 2.5863 -2.2905 -0.0003 C 0 0 0
- 3.4443 -1.1688 -0.0007 C 0 0 0
- 3.7489 1.2430 0.0004 C 0 0 0
- 4.8387 -1.3254 -0.0011 C 0 0 0
- 5.1012 1.0564 -0.0004 C 0 0 0
- 5.6427 -0.2244 -0.0005 C 0 0 0
- 6.0179 2.2526 -0.0008 C 0 0 0
- -6.7453 -0.9128 0.0000 H 0 0 0
- -6.5024 -2.3809 0.0000 H 0 0 0
- -5.0343 -2.1380 0.0000 H 0 0 0
- -6.6204 1.0398 0.0000 H 0 0 0
- -3.6120 -2.5694 0.0000 H 0 0 0
- -5.2336 3.0337 0.0000 H 0 0 0
- -2.8258 2.8591 0.0000 H 0 0 0
- -1.2413 -2.8066 0.0000 H 0 0 0
- -0.9265 2.6630 0.0000 H 0 0 0
- 1.4507 2.4154 0.0000 H 0 0 0
- 0.6319 -3.0017 0.0000 H 0 0 0
- 3.0008 -3.2576 0.0000 H 0 0 0
- 3.3495 2.2165 0.0000 H 0 0 0
- 5.2621 -2.2887 0.0000 H 0 0 0
- 6.6879 -0.3455 0.0000 H 0 0 0
- 6.8531 1.6126 0.0000 H 0 0 0
- 6.6579 3.0878 0.0000 H 0 0 0
- 5.1827 2.8926 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 2 0
- 11 8 2 0
- 12 8 1 0
- 13 11 1 0
- 14 12 2 0
- 15 13 2 0
- 16 13 1 0
- 17 15 1 0
- 18 16 2 0
- 19 17 2 0
- 20 17 1 0
- 21 19 1 0
- 22 20 2 0
- 23 21 2 0
- 24 22 1 0
- 7 9 1 0
- 10 11 1 0
- 14 15 1 0
- 18 19 1 0
- 22 23 1 0
- 1 25 1 0
- 1 26 1 0
- 1 27 1 0
- 4 28 1 0
- 6 29 1 0
- 7 30 1 0
- 9 31 1 0
- 10 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 20 37 1 0
- 21 38 1 0
- 23 39 1 0
- 24 40 1 0
- 24 41 1 0
- 24 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2998-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 2.1018 -0.0655 -0.0011 C 0 0 0
- 0.8781 0.4999 0.0003 O 0 0 0
- 3.3026 0.7817 0.0005 C 0 0 0
- 2.2121 -1.2758 0.0014 O 0 0 0
- -0.3083 -0.3372 -0.0013 C 0 0 0
- 4.5107 0.2235 -0.0008 C 0 0 0
- -1.5566 0.5475 0.0007 C 0 0 0
- -2.8068 -0.3345 -0.0009 C 0 0 0
- -4.0551 0.5502 0.0011 C 0 0 0
- -5.3052 -0.3319 -0.0005 C 0 0 0
- 3.2027 1.8793 0.0000 H 0 0 0
- -1.0432 -1.1587 0.0000 H 0 0 0
- 0.4248 -1.1602 0.0000 H 0 0 0
- 4.6106 -0.8741 0.0000 H 0 0 0
- 5.4113 0.8588 0.0000 H 0 0 0
- -0.8217 1.3689 0.0000 H 0 0 0
- -2.2897 1.3705 0.0000 H 0 0 0
- -3.5417 -1.1559 0.0000 H 0 0 0
- -2.0737 -1.1575 0.0000 H 0 0 0
- -3.3202 1.3717 0.0000 H 0 0 0
- -4.7883 1.3732 0.0000 H 0 0 0
- -5.9407 0.5687 0.0000 H 0 0 0
- -6.2058 -0.9674 0.0000 H 0 0 0
- -4.6697 -1.2325 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 2 0
- 7 5 1 0
- 8 7 1 0
- 9 8 1 0
- 10 9 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18774-09-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.7417 -0.9433 -0.0250 C 0 0 0
- -0.7422 -0.9429 -0.0244 C 0 0 0
- 1.2055 0.3448 -0.2766 C 0 0 0
- 1.6603 -1.9743 0.1811 C 0 0 0
- -1.2056 0.3453 -0.2757 C 0 0 0
- -1.6611 -1.9745 0.1773 C 0 0 0
- 0.0001 1.2360 -0.4500 C 0 0 0
- 2.5600 0.5983 -0.3263 C 0 0 0
- 3.0133 -1.7118 0.1280 C 0 0 0
- -2.5601 0.5994 -0.3246 C 0 0 0
- -3.0140 -1.7112 0.1265 C 0 0 0
- 0.0007 2.2632 0.5434 O 0 0 0
- 0.0005 1.8565 -1.8485 C 0 0 0
- 3.4648 -0.4290 -0.1257 C 0 0 0
- -3.4652 -0.4276 -0.1238 C 0 0 0
- 0.0009 1.5908 1.8495 O 0 0 0
- 1.3307 -2.9503 0.0000 H 0 0 0
- -1.3317 -2.9506 0.0000 H 0 0 0
- 2.8956 1.5722 0.0000 H 0 0 0
- 3.6864 -2.4917 0.0000 H 0 0 0
- -2.8954 1.5735 0.0000 H 0 0 0
- -3.6874 -2.4907 0.0000 H 0 0 0
- 1.0307 1.8558 0.0000 H 0 0 0
- 0.0012 2.8867 0.0000 H 0 0 0
- -1.0297 1.8572 0.0000 H 0 0 0
- 4.4761 -0.2326 0.0000 H 0 0 0
- -4.4764 -0.2308 0.0000 H 0 0 0
- 0.0012 0.5606 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 2 0
- 12 16 1 0
- 5 7 1 0
- 9 14 1 0
- 11 15 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-159394-72-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.2787 -0.5548 0.0073 C 0 0 0
- 2.2555 -1.5538 0.0080 C 0 0 0
- 1.6631 0.7888 0.0029 C 0 0 0
- -0.1502 -0.9163 0.0052 C 0 0 0
- 3.5908 -1.2079 0.0043 C 0 0 0
- 3.0019 1.1194 -0.0008 C 0 0 0
- -1.0860 0.0461 0.0046 C 0 0 0
- 3.9638 0.1244 -0.0001 C 0 0 0
- -2.5151 -0.3154 0.0024 C 0 0 0
- 5.3989 0.4874 -0.0036 N 0 3 0
- -3.4888 0.6830 0.0017 C 0 0 0
- -2.8980 -1.6604 -0.0048 C 0 0 0
- 5.7307 1.6594 -0.0075 O 0 0 0
- 6.2480 -0.3858 -0.0026 O 0 5 0
- -4.8375 0.3316 -0.0008 C 0 0 0
- -4.2357 -2.0002 -0.0073 C 0 0 0
- -5.2050 -1.0164 -0.0026 C 0 0 0
- -5.8444 1.3498 -0.0010 C 0 0 0
- -6.6431 2.1576 -0.0012 N 0 0 0
- 1.9761 -2.5572 0.0000 H 0 0 0
- 0.9401 1.5387 0.0000 H 0 0 0
- -0.4339 -1.9186 0.0000 H 0 0 0
- 4.3201 -1.9516 0.0000 H 0 0 0
- 3.2899 2.1204 0.0000 H 0 0 0
- -0.8023 1.0484 0.0000 H 0 0 0
- -3.2094 1.6865 0.0000 H 0 0 0
- -2.1721 -2.4074 0.0000 H 0 0 0
- -4.5156 -3.0035 0.0000 H 0 0 0
- -6.2127 -1.2801 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 15 18 1 0
- 18 19 3 0
- 6 8 1 0
- 16 17 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10549-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.3005 0.0002 0.0038 C 0 0 0
- -1.7819 0.0001 -0.0046 C 0 0 0
- 0.3822 1.2009 0.1610 C 0 0 0
- 0.3823 -1.2009 -0.1614 C 0 0 0
- -2.4650 1.1964 -0.1912 C 0 0 0
- -2.4645 -1.1969 0.1899 C 0 0 0
- 1.7629 1.1947 0.1503 C 0 0 0
- -0.3877 2.4757 0.3694 C 0 0 0
- 1.7624 -1.1945 -0.1521 C 0 0 0
- -0.3886 -2.4752 -0.3691 C 0 0 0
- -1.6968 2.4700 -0.4122 C 0 0 0
- -3.8458 1.1893 -0.1835 C 0 0 0
- -1.6940 -2.4676 0.4198 C 0 0 0
- -3.8446 -1.1909 0.1824 C 0 0 0
- 2.4455 0.0002 -0.0005 C 0 0 0
- -4.5281 -0.0010 -0.0012 C 0 0 0
- 3.9257 -0.0001 -0.0003 N 0 3 0
- 4.5346 -1.0466 -0.1325 O 0 0 0
- 4.5349 1.0463 0.1321 O 0 5 0
- 2.2844 2.0888 0.0000 H 0 0 0
- 0.5797 2.8439 0.0000 H 0 0 0
- -0.5771 3.4933 0.0000 H 0 0 0
- 2.2839 -2.0886 0.0000 H 0 0 0
- -0.5792 -3.4926 0.0000 H 0 0 0
- 0.5784 -2.8443 0.0000 H 0 0 0
- -1.5135 3.4887 0.0000 H 0 0 0
- -2.6654 2.8350 0.0000 H 0 0 0
- -4.3670 2.0836 0.0000 H 0 0 0
- -2.6622 -2.8336 0.0000 H 0 0 0
- -1.5109 -3.4864 0.0000 H 0 0 0
- -4.3651 -2.0856 0.0000 H 0 0 0
- -5.5632 -0.0015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 12 16 2 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 1 0
- 14 16 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99346-50-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -6.7372 -1.0000 -0.1664 N 0 0 0
- -7.6370 -0.0323 -0.4384 C 0 0 0
- -5.5742 -0.6886 0.4360 C 0 0 0
- -7.3299 1.3528 -0.0699 C 0 0 0
- -8.6907 -0.3060 -0.9825 O 0 0 0
- -5.2886 0.5809 0.7762 N 0 0 0
- -4.7701 -1.5683 0.6767 O 0 0 0
- -6.1933 1.6162 0.5123 N 0 0 0
- 7.6310 0.1012 -0.0974 N 0 0 0
- 6.6512 1.1549 -0.3935 C 0 0 0
- 8.7740 0.7577 0.5511 C 0 0 0
- 5.4279 0.5372 -1.0739 C 0 0 0
- 9.8385 -0.2880 0.8887 C 0 0 0
- 4.8378 -0.4314 -0.2045 O 0 0 0
- 10.2751 -0.9281 -0.3120 O 0 0 0
- -7.0087 -1.9440 0.0000 H 0 0 0
- -8.0278 2.0440 0.0000 H 0 0 0
- -4.3365 0.8224 0.0000 H 0 0 0
- 7.4840 -0.8700 0.0000 H 0 0 0
- 7.4300 1.7534 0.0000 H 0 0 0
- 6.1283 1.9864 0.0000 H 0 0 0
- 9.5232 1.3930 0.0000 H 0 0 0
- 8.2094 1.5615 0.0000 H 0 0 0
- 5.3012 1.5113 0.0000 H 0 0 0
- 4.4670 0.7409 0.0000 H 0 0 0
- 10.8111 -0.1507 0.0000 H 0 0 0
- 10.1457 0.6450 0.0000 H 0 0 0
- 4.3268 -1.2702 0.0000 H 0 0 0
- 10.8286 -1.7396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 9 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 6 8 1 0
- 1 16 1 0
- 4 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83053-60-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 0.8065 -0.1799 0.0025 C 0 0 0
- 1.0513 -1.5710 0.0004 C 0 0 0
- 1.9487 0.7369 0.0018 C 0 0 0
- -0.5130 0.2957 -0.0005 C 0 0 0
- -0.0253 -2.4679 0.0002 C 0 0 0
- 2.4273 -2.0577 -0.0022 C 0 0 0
- 3.2580 0.2061 -0.0009 C 0 0 0
- 1.7631 2.1225 0.0033 C 0 0 0
- -1.5606 -0.5937 -0.0057 C 0 0 0
- -0.7549 1.6325 0.0023 O 0 0 0
- -1.3265 -1.9856 0.0023 C 0 0 0
- -0.0404 -3.9780 -0.0019 C 0 0 0
- 3.4628 -1.1933 -0.0027 C 0 0 0
- 4.3508 1.0862 -0.0016 C 0 0 0
- 2.8477 2.9515 0.0020 C 0 0 0
- -2.1746 1.7954 -0.0019 C 0 0 0
- -2.2929 -3.0977 0.0017 C 0 0 0
- -1.5181 -4.3929 -0.0010 C 0 0 0
- 4.1375 2.4331 0.0002 C 0 0 0
- -2.5168 3.2866 0.0009 C 0 0 0
- -3.5008 -2.9909 0.0031 O 0 0 0
- -4.0369 3.4610 -0.0035 C 0 0 0
- -4.3791 4.9522 -0.0007 C 0 0 0
- 2.6146 -3.1000 0.0000 H 0 0 0
- 0.7847 2.5276 0.0000 H 0 0 0
- -2.5553 -0.2305 0.0000 H 0 0 0
- 0.1483 -5.0200 0.0000 H 0 0 0
- 1.0148 -3.8885 0.0000 H 0 0 0
- 4.4520 -1.5712 0.0000 H 0 0 0
- 5.3389 0.7054 0.0000 H 0 0 0
- 2.7049 4.0008 0.0000 H 0 0 0
- -3.2269 1.6767 0.0000 H 0 0 0
- -2.1756 0.7364 0.0000 H 0 0 0
- -2.4714 -4.8541 0.0000 H 0 0 0
- -1.1429 -5.3832 0.0000 H 0 0 0
- 4.9657 3.0931 0.0000 H 0 0 0
- -1.4645 3.4053 0.0000 H 0 0 0
- -2.5158 4.3456 0.0000 H 0 0 0
- -5.0892 3.3423 0.0000 H 0 0 0
- -4.0379 2.4020 0.0000 H 0 0 0
- -3.3470 5.1891 0.0000 H 0 0 0
- -4.6160 5.9843 0.0000 H 0 0 0
- -5.4112 4.7153 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 1 0
- 17 21 2 0
- 20 22 1 0
- 22 23 1 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 17 18 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7433-46-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.1075 0.0221 -0.0009 C 0 0 0
- -1.2722 0.7003 0.0009 N 0 0 0
- 1.0622 0.6916 0.0009 N 0 0 0
- -0.1120 -1.1938 0.0009 O 0 0 0
- -2.5436 -0.0276 -0.0011 C 0 0 0
- 2.2859 -0.0209 -0.0010 O 0 0 0
- -1.2685 1.7111 0.0000 H 0 0 0
- 1.0659 1.7024 0.0000 H 0 0 0
- -3.0458 0.8496 0.0000 H 0 0 0
- -3.4208 -0.5298 0.0000 H 0 0 0
- -2.0414 -0.9048 0.0000 H 0 0 0
- 3.1594 -0.5295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2381-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.5586 -0.1561 -0.0021 C 0 0 0
- -2.0137 -0.3664 -0.0015 C 0 0 0
- -0.0484 1.2161 -0.0003 C 0 0 0
- 0.3152 -1.2303 0.0013 C 0 0 0
- -2.8720 0.7530 0.0009 C 0 0 0
- -2.5527 -1.6539 -0.0028 C 0 0 0
- 1.3217 1.4515 -0.0004 C 0 0 0
- -0.9956 2.3298 0.0022 C 0 0 0
- 1.6944 -0.9997 0.0005 C 0 0 0
- -2.3231 2.1053 0.0023 C 0 0 0
- -4.2593 0.5504 0.0016 C 0 0 0
- -3.9192 -1.8202 -0.0016 C 0 0 0
- 2.2083 0.3718 -0.0022 C 0 0 0
- 2.6126 -2.0686 0.0045 C 0 0 0
- -4.7637 -0.7174 -0.0001 C 0 0 0
- 3.6037 0.5728 -0.0024 C 0 0 0
- 3.9461 -1.8066 0.0043 C 0 0 0
- 4.4355 -0.5014 -0.0042 C 0 0 0
- 4.1688 1.9698 0.0000 C 0 0 0
- -0.0552 -2.2110 0.0000 H 0 0 0
- -1.9202 -2.4899 0.0000 H 0 0 0
- 1.6876 2.4338 0.0000 H 0 0 0
- -0.6369 3.3148 0.0000 H 0 0 0
- -2.9793 2.9228 0.0000 H 0 0 0
- -4.9091 1.3730 0.0000 H 0 0 0
- -4.3256 -2.7865 0.0000 H 0 0 0
- 2.2694 -3.0591 0.0000 H 0 0 0
- -5.8021 -0.8610 0.0000 H 0 0 0
- 4.6238 -2.6063 0.0000 H 0 0 0
- 5.4720 -0.3447 0.0000 H 0 0 0
- 5.1406 1.5767 0.0000 H 0 0 0
- 4.5619 2.9416 0.0000 H 0 0 0
- 3.1970 2.3629 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-36-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.4156 -0.0223 -0.0009 C 0 0 0
- -1.8918 0.0365 -0.0003 C 0 0 0
- 0.4498 0.9686 0.0001 N 0 0 0
- 0.6495 -1.4576 0.0049 S 0 0 0
- -2.5428 1.2719 0.0009 C 0 0 0
- -2.6391 -1.1436 -0.0067 C 0 0 0
- 1.7821 0.7666 -0.0006 C 0 0 0
- 2.1974 -0.5860 0.0002 C 0 0 0
- -3.9194 1.3234 0.0015 C 0 0 0
- -4.0151 -1.0857 -0.0061 C 0 0 0
- 2.8136 1.7358 0.0007 C 0 0 0
- 3.5209 -0.9527 0.0010 C 0 0 0
- -4.6609 0.1467 0.0009 C 0 0 0
- 4.1209 1.3622 0.0002 C 0 0 0
- 4.4973 0.0262 -0.0039 C 0 0 0
- -6.0534 0.2021 0.0019 N 0 0 0
- 5.9556 -0.3536 -0.0025 C 0 0 0
- -1.9871 2.1551 0.0000 H 0 0 0
- -2.1553 -2.0682 0.0000 H 0 0 0
- -4.4064 2.2463 0.0000 H 0 0 0
- -4.5739 -1.9670 0.0000 H 0 0 0
- 2.5676 2.7499 0.0000 H 0 0 0
- 3.7873 -1.9616 0.0000 H 0 0 0
- 4.8602 2.0987 0.0000 H 0 0 0
- -6.5388 1.1258 0.0000 H 0 0 0
- -6.6107 -0.6802 0.0000 H 0 0 0
- 5.6926 -1.3634 0.0000 H 0 0 0
- 6.9654 -0.6166 0.0000 H 0 0 0
- 6.2186 0.6562 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 11 14 2 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 7 8 2 0
- 10 13 1 0
- 14 15 1 0
- 5 18 1 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7156-07-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 25 1 V2000
- -0.0763 0.0000 0.1015 C 0 0 0
- 0.6717 -1.1701 0.1850 C 0 0 0
- 0.6701 1.1713 0.1836 C 0 0 0
- -1.4732 -0.0010 -0.0590 C 0 0 0
- 2.1184 -0.7705 0.3442 C 0 0 0
- 0.0098 -2.3573 0.1124 C 0 0 0
- 2.1174 0.7738 0.3430 C 0 0 0
- 0.0064 2.3575 0.1107 C 0 0 0
- -2.1236 -1.2437 -0.1362 C 0 0 0
- -2.1261 1.2406 -0.1305 C 0 0 0
- 2.5422 0.0011 -0.8318 N 0 0 0
- -1.3784 -2.3832 -0.0419 C 0 0 0
- -1.3819 2.3813 -0.0425 C 0 0 0
- 2.7643 -1.5875 0.0000 H 0 0 0
- 0.5456 -3.2504 0.0000 H 0 0 0
- 2.7626 1.5914 0.0000 H 0 0 0
- 0.5409 3.2514 0.0000 H 0 0 0
- -3.1638 -1.2942 0.0000 H 0 0 0
- -3.1664 1.2895 0.0000 H 0 0 0
- 3.5837 0.0013 0.0000 H 0 0 0
- -1.8653 -3.3038 0.0000 H 0 0 0
- -1.8700 3.3013 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 5 7 1 0
- 7 11 1 0
- 9 12 2 0
- 10 13 2 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-67-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.0471 -1.3815 -0.0021 C 0 0 0
- -1.1727 -0.7318 -0.0016 C 0 0 0
- 1.2201 -0.6497 -0.0012 C 0 0 0
- 0.0987 -2.8877 0.0027 C 0 0 0
- -1.2200 0.6499 -0.0002 C 0 0 0
- 1.1729 0.7316 0.0002 C 0 0 0
- -0.0474 1.3815 0.0007 C 0 0 0
- -2.5501 1.3584 0.0009 C 0 0 0
- 2.4515 1.5293 0.0006 C 0 0 0
- -2.0524 -1.2807 0.0000 H 0 0 0
- 2.1353 -1.1372 0.0000 H 0 0 0
- -0.9376 -2.9232 0.0000 H 0 0 0
- 0.1342 -3.9240 0.0000 H 0 0 0
- 1.1350 -2.8522 0.0000 H 0 0 0
- -0.0829 2.4178 0.0000 H 0 0 0
- -2.0626 2.2736 0.0000 H 0 0 0
- -3.4653 1.8459 0.0000 H 0 0 0
- -3.0376 0.4432 0.0000 H 0 0 0
- 3.0004 0.6496 0.0000 H 0 0 0
- 3.3312 2.0782 0.0000 H 0 0 0
- 1.9026 2.4090 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108283-47-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.6743 -0.5467 0.0113 C 0 0 0
- -0.7594 -0.7066 0.4473 C 0 0 0
- 1.3660 0.5471 0.3672 O 0 0 0
- 1.2025 -1.4055 -0.6546 O 0 0 0
- -1.6841 -0.0921 -0.6054 C 0 0 0
- -1.0692 -2.1347 0.5975 N 0 0 0
- 2.7821 0.6422 0.0607 C 0 0 0
- -3.0778 -0.2474 -0.1815 N 0 0 0
- 2.9785 0.6140 -1.4564 C 0 0 0
- 3.3388 1.9517 0.6228 C 0 0 0
- 3.5212 -0.5391 0.6926 C 0 0 0
- -3.7222 0.6601 -0.0249 N 0 3 0
- -4.3665 1.5677 0.1317 N 0 5 0
- -0.5221 0.2729 0.0000 H 0 0 0
- -0.9088 0.5519 0.0000 H 0 0 0
- -2.0785 0.8354 0.0000 H 0 0 0
- -2.0290 -2.4421 0.0000 H 0 0 0
- -0.3230 -2.8122 0.0000 H 0 0 0
- 2.8353 -0.3836 0.0000 H 0 0 0
- 3.9761 0.4708 0.0000 H 0 0 0
- 3.1217 1.6116 0.0000 H 0 0 0
- 4.2663 1.5574 0.0000 H 0 0 0
- 3.7331 2.8792 0.0000 H 0 0 0
- 2.4113 2.3460 0.0000 H 0 0 0
- 2.6668 -1.0737 0.0000 H 0 0 0
- 4.0558 -1.3935 0.0000 H 0 0 0
- 4.3756 -0.0045 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 1 0
- 7 11 1 0
- 8 12 2 0
- 12 13 2 0
- 2 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109143-17-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.5771 -0.0078 -0.1632 C 0 0 0
- -1.9102 0.3923 1.1418 C 0 0 0
- -0.2400 -0.1495 -0.5101 C 0 0 0
- -2.7322 -0.1719 -0.8391 O 0 0 0
- -3.3775 0.4437 1.1735 C 0 0 0
- -0.9071 0.6436 2.0774 C 0 0 0
- 0.7447 0.1042 0.4300 C 0 0 0
- -3.7900 0.0970 -0.0528 C 0 0 0
- 0.4044 0.4998 1.7224 C 0 0 0
- 2.0903 -0.0385 0.0805 N 0 0 0
- -5.2054 0.0158 -0.4794 N 0 3 0
- 2.7716 1.0263 -0.6598 C 0 0 0
- 2.8194 -1.2530 0.4543 C 0 0 0
- -6.0953 0.2800 0.3092 O 0 0 0
- -5.4800 -0.3152 -1.6190 O 0 5 0
- 3.2135 2.1215 0.3130 C 0 0 0
- 2.5137 -2.3621 -0.5543 C 0 0 0
- 4.0521 3.4320 -0.5981 Cl 0 0 0
- 3.4111 -3.8567 -0.0943 Cl 0 0 0
- -0.1755 -1.0275 0.0000 H 0 0 0
- -3.6644 1.2760 0.0000 H 0 0 0
- -0.9670 1.5219 0.0000 H 0 0 0
- 0.8147 1.2787 0.0000 H 0 0 0
- 3.2242 0.2711 0.0000 H 0 0 0
- 3.6493 1.0951 0.0000 H 0 0 0
- 3.5822 -1.6925 0.0000 H 0 0 0
- 3.4363 -0.6249 0.0000 H 0 0 0
- 2.7610 2.8767 0.0000 H 0 0 0
- 2.3358 2.0527 0.0000 H 0 0 0
- 1.7509 -1.9226 0.0000 H 0 0 0
- 1.8968 -2.9902 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 5 8 2 0
- 7 9 1 0
- 3 20 1 0
- 5 21 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-31-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -2.4905 0.1270 -0.3925 C 0 0 0
- -3.2220 -0.7468 0.3908 C 0 0 0
- -1.3548 -0.3117 -1.0466 C 0 0 0
- -2.9361 1.5592 -0.5382 C 0 0 0
- -2.8170 -2.0651 0.5212 C 0 0 0
- -0.9449 -1.6264 -0.9207 C 0 0 0
- -2.2926 2.4078 0.5603 C 0 0 0
- -2.5371 2.0543 -1.8179 O 0 0 0
- -1.6731 -2.5069 -0.1376 C 0 0 0
- -3.5350 -2.9256 1.2916 O 0 0 0
- -2.7270 3.8039 0.4182 N 0 0 0
- -1.2714 -3.8001 -0.0127 O 0 0 0
- -2.0771 4.5601 1.4969 C 0 0 0
- 11.1029 0.1316 0.1005 Cl 0 0 0
- -4.1170 -0.5659 0.0000 H 0 0 0
- -0.6881 0.3122 0.0000 H 0 0 0
- -3.8355 1.7169 0.0000 H 0 0 0
- -0.0490 -1.8028 0.0000 H 0 0 0
- -1.6938 1.7184 0.0000 H 0 0 0
- -1.4950 2.8523 0.0000 H 0 0 0
- -1.9641 2.7653 0.0000 H 0 0 0
- -4.1200 -3.6267 0.0000 H 0 0 0
- -3.6212 3.9890 0.0000 H 0 0 0
- -1.0005 -4.6721 0.0000 H 0 0 0
- -1.3846 3.9649 0.0000 H 0 0 0
- -1.4819 5.2526 0.0000 H 0 0 0
- -2.7696 5.1553 0.0000 H 0 0 0
- 12.0160 0.1316 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 6 9 2 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-118745-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.8637 0.1941 -0.0004 C 0 0 0
- -4.2538 0.0492 -0.0011 N 0 0 0
- -2.2992 1.4647 0.0014 C 0 0 0
- -2.0489 -0.9329 0.0044 C 0 0 0
- -4.8030 -1.1816 -0.0028 C 0 0 0
- -5.0852 1.1954 -0.0001 O 0 0 0
- -0.9294 1.6119 0.0021 C 0 0 0
- -0.6787 -0.7944 0.0052 C 0 0 0
- -6.0093 -1.3075 -0.0034 O 0 0 0
- -0.1069 0.4816 0.0011 C 0 0 0
- 1.3583 0.6345 0.0014 C 0 0 0
- 2.1468 -0.4526 0.0005 C 0 0 0
- 3.6126 -0.2998 0.0008 C 0 0 0
- 4.4361 -1.4285 -0.0002 C 0 0 0
- 4.1857 0.9750 -0.0038 C 0 0 0
- 5.8073 -1.2776 -0.0004 C 0 0 0
- 5.5580 1.1102 -0.0039 C 0 0 0
- 6.3674 -0.0125 0.0004 C 0 0 0
- -2.9134 2.3074 0.0000 H 0 0 0
- -2.4760 -1.8842 0.0000 H 0 0 0
- -4.1907 -2.0257 0.0000 H 0 0 0
- -5.6975 2.0395 0.0000 H 0 0 0
- -0.5067 2.5652 0.0000 H 0 0 0
- -0.0685 -1.6400 0.0000 H 0 0 0
- 1.7832 1.5868 0.0000 H 0 0 0
- 1.7219 -1.4049 0.0000 H 0 0 0
- 4.0153 -2.3826 0.0000 H 0 0 0
- 3.5771 1.8217 0.0000 H 0 0 0
- 6.4232 -2.1191 0.0000 H 0 0 0
- 5.9870 2.0606 0.0000 H 0 0 0
- 7.4045 0.0957 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 10 11 1 0
- 11 12 2 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 10 1 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-833-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.2755 0.0136 -0.0025 C 0 0 0
- -1.7537 0.0121 -0.0023 C 0 0 0
- 0.4736 1.0868 -0.0018 N 0 0 0
- 0.4975 -1.0888 0.0025 O 0 0 0
- -2.4533 -1.1955 -0.0031 C 0 0 0
- -2.4560 1.2185 0.0045 C 0 0 0
- 1.7777 0.7089 -0.0023 C 0 0 0
- 1.7906 -0.6955 0.0005 C 0 0 0
- -3.8331 -1.1899 -0.0024 C 0 0 0
- -3.8354 1.2100 0.0051 C 0 0 0
- 2.9856 1.4111 -0.0016 C 0 0 0
- 2.9998 -1.3735 0.0042 C 0 0 0
- -4.5229 0.0092 -0.0010 C 0 0 0
- 4.1766 0.7206 -0.0018 C 0 0 0
- 4.1844 -0.6667 0.0015 C 0 0 0
- -1.9370 -2.0954 0.0000 H 0 0 0
- -1.9416 2.1195 0.0000 H 0 0 0
- -4.3544 -2.0870 0.0000 H 0 0 0
- -4.3585 2.1060 0.0000 H 0 0 0
- 2.9850 2.4486 0.0000 H 0 0 0
- 3.0138 -2.4109 0.0000 H 0 0 0
- -5.5604 0.0081 0.0000 H 0 0 0
- 5.0741 1.2411 0.0000 H 0 0 0
- 5.0881 -1.1765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 11 14 2 0
- 12 15 2 0
- 7 8 2 0
- 10 13 1 0
- 14 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55-86-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.0000 -0.5252 -0.3619 N 0 0 0
- -1.1786 0.2700 0.0079 C 0 0 0
- 1.1786 0.2699 0.0079 C 0 0 0
- -0.0001 -1.7094 0.5073 C 0 0 0
- -2.4488 -0.5033 -0.3518 C 0 0 0
- 2.4488 -0.5035 -0.3518 C 0 0 0
- -3.8953 0.4726 0.1021 Cl 0 0 0
- 3.8954 0.4722 0.1021 Cl 0 0 0
- -0.4290 1.0959 0.0000 H 0 0 0
- -1.8888 1.1299 0.0000 H 0 0 0
- 1.8889 1.1298 0.0000 H 0 0 0
- 0.4291 1.0958 0.0000 H 0 0 0
- -1.1154 -1.7093 0.0000 H 0 0 0
- -0.0002 -2.8247 0.0000 H 0 0 0
- 1.1152 -1.7095 0.0000 H 0 0 0
- -3.1984 -1.3292 0.0000 H 0 0 0
- -1.7386 -1.3632 0.0000 H 0 0 0
- 1.7385 -1.3634 0.0000 H 0 0 0
- 3.1983 -1.3295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-84-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 66 1 V2000
- 0.7153 -2.8417 -0.1424 C 0 0 0
- -0.6384 -2.6347 0.1840 C 0 0 0
- 1.5105 -1.7503 -0.7444 C 0 0 0
- 1.3022 -4.0787 0.1106 C 0 0 0
- -1.2738 -1.3249 -0.0742 C 0 0 0
- -1.3753 -3.6711 0.7509 C 0 0 0
- 2.6398 -1.3291 -0.1431 O 0 0 0
- 1.1455 -1.2336 -1.7811 O 0 0 0
- 0.5563 -5.0942 0.6789 C 0 0 0
- -2.5966 -1.1671 0.1252 O 0 0 0
- -0.6031 -0.3913 -0.4660 O 0 0 0
- -0.7771 -4.8941 0.9900 C 0 0 0
- 3.4208 -0.2573 -0.7343 C 0 0 0
- -3.2206 0.1192 -0.1283 C 0 0 0
- 4.6437 0.0253 0.1407 C 0 0 0
- -4.7176 0.0283 0.1746 C 0 0 0
- 5.4666 1.1547 -0.4823 C 0 0 0
- -5.3752 1.3838 -0.0926 C 0 0 0
- 6.6895 1.4372 0.3927 C 0 0 0
- -6.8721 1.2929 0.2104 C 0 0 0
- 7.5124 2.5666 -0.2303 C 0 0 0
- -7.5297 2.6483 -0.0568 C 0 0 0
- 8.7352 2.8491 0.6448 C 0 0 0
- -9.0266 2.5574 0.2461 C 0 0 0
- 9.5582 3.9785 0.0217 C 0 0 0
- -9.6842 3.9129 -0.0210 C 0 0 0
- 10.7810 4.2611 0.8968 C 0 0 0
- -11.1812 3.8220 0.2819 C 0 0 0
- 2.3215 -4.1761 0.0000 H 0 0 0
- -2.3959 -3.5876 0.0000 H 0 0 0
- 0.9495 -6.0397 0.0000 H 0 0 0
- -1.3824 -5.7200 0.0000 H 0 0 0
- 3.4807 0.7649 0.0000 H 0 0 0
- 2.4568 0.0882 0.0000 H 0 0 0
- -2.2490 0.4426 0.0000 H 0 0 0
- -3.4150 1.1246 0.0000 H 0 0 0
- 4.5838 -0.9969 0.0000 H 0 0 0
- 5.6077 -0.3201 0.0000 H 0 0 0
- -5.6892 -0.2951 0.0000 H 0 0 0
- -4.5232 -0.9771 0.0000 H 0 0 0
- 5.5265 2.1769 0.0000 H 0 0 0
- 4.5026 1.5001 0.0000 H 0 0 0
- -4.4036 1.7072 0.0000 H 0 0 0
- -5.5696 2.3892 0.0000 H 0 0 0
- 6.6296 0.4150 0.0000 H 0 0 0
- 7.6535 1.0918 0.0000 H 0 0 0
- -7.8437 0.9695 0.0000 H 0 0 0
- -6.6777 0.2875 0.0000 H 0 0 0
- 7.5723 3.5888 0.0000 H 0 0 0
- 6.5484 2.9120 0.0000 H 0 0 0
- -6.5581 2.9717 0.0000 H 0 0 0
- -7.7241 3.6537 0.0000 H 0 0 0
- 8.6753 1.8269 0.0000 H 0 0 0
- 9.6991 2.5036 0.0000 H 0 0 0
- -9.9982 2.2340 0.0000 H 0 0 0
- -8.8322 1.5520 0.0000 H 0 0 0
- 9.6181 5.0007 0.0000 H 0 0 0
- 8.5942 4.3240 0.0000 H 0 0 0
- -8.7126 4.2363 0.0000 H 0 0 0
- -9.8786 4.9183 0.0000 H 0 0 0
- 11.0116 3.2634 0.0000 H 0 0 0
- 11.7787 4.4917 0.0000 H 0 0 0
- 10.5504 5.2588 0.0000 H 0 0 0
- -11.2433 4.8441 0.0000 H 0 0 0
- -12.2033 3.7599 0.0000 H 0 0 0
- -11.1191 2.7999 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 9 12 1 0
- 4 29 1 0
- 6 30 1 0
- 9 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 26 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4075-79-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -0.8106 0.0999 -0.1947 C 0 0 0
- -2.2815 0.0048 -0.0267 C 0 0 0
- -0.2130 1.3380 -0.4264 C 0 0 0
- -0.0234 -1.0475 -0.1153 C 0 0 0
- -2.9821 -1.0602 -0.5893 C 0 0 0
- -2.9669 0.9772 0.6994 C 0 0 0
- 1.1540 1.4241 -0.5817 C 0 0 0
- 1.3436 -0.9566 -0.2713 C 0 0 0
- -4.3506 -1.1439 -0.4294 C 0 0 0
- -4.3351 0.8835 0.8528 C 0 0 0
- 1.9365 0.2777 -0.5074 C 0 0 0
- -5.0263 -0.1733 0.2876 C 0 0 0
- 3.3229 0.3675 -0.6653 N 0 0 0
- 4.1426 -0.1354 0.2790 C 0 0 0
- 5.6317 -0.1594 0.0491 C 0 0 0
- 3.6817 -0.5687 1.3139 O 0 0 0
- -0.7864 2.1907 0.0000 H 0 0 0
- -0.4718 -1.9720 0.0000 H 0 0 0
- -2.4671 -1.9493 0.0000 H 0 0 0
- -2.5253 1.9050 0.0000 H 0 0 0
- 1.6051 2.3473 0.0000 H 0 0 0
- 1.9193 -1.8077 0.0000 H 0 0 0
- -4.7983 -2.0688 0.0000 H 0 0 0
- -4.8545 1.7701 0.0000 H 0 0 0
- -6.0537 -0.1882 0.0000 H 0 0 0
- 3.5699 1.3649 0.0000 H 0 0 0
- 5.6151 -1.1868 0.0000 H 0 0 0
- 6.6591 -0.1760 0.0000 H 0 0 0
- 5.6483 0.8680 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 8 11 2 0
- 10 12 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.3387 0.0068 -0.0906 S 0 0 0
- -0.8124 -0.3682 0.8319 O 0 0 0
- 0.7390 1.7020 0.4163 C 0 0 0
- 1.3577 -0.9077 0.2894 O 0 0 0
- -0.2646 -0.0265 -1.3767 O 0 0 0
- -2.0172 0.0148 0.1657 C 0 0 0
- 1.6618 1.4841 0.0000 H 0 0 0
- 0.9569 2.6248 0.0000 H 0 0 0
- -0.1838 1.9199 0.0000 H 0 0 0
- -1.7299 0.9184 0.0000 H 0 0 0
- -2.9208 0.3021 0.0000 H 0 0 0
- -2.3045 -0.8888 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4514-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2058 -0.4130 -0.0016 C 0 0 0
- -1.5996 -0.2269 -0.0014 C 0 0 0
- 0.6486 0.7039 0.0000 C 0 0 0
- 0.3457 -1.7688 0.0027 C 0 0 0
- -2.1254 1.0857 -0.0001 C 0 0 0
- -2.4642 -1.3441 -0.0021 C 0 0 0
- 2.0922 0.4752 -0.0002 C 0 0 0
- 0.1017 2.0009 0.0022 C 0 0 0
- 1.7184 -1.9519 0.0021 C 0 0 0
- -0.5769 -2.9047 0.0070 C 0 0 0
- -1.2420 2.1883 0.0005 C 0 0 0
- -3.5147 1.2589 0.0001 C 0 0 0
- -1.9114 -2.6961 -0.0025 C 0 0 0
- -3.8439 -1.1284 -0.0018 C 0 0 0
- 2.5913 -0.8516 -0.0020 C 0 0 0
- 2.9887 1.5509 0.0008 C 0 0 0
- -1.7986 3.5887 0.0014 C 0 0 0
- -4.3478 0.1597 -0.0010 C 0 0 0
- 3.9857 -1.0555 -0.0026 C 0 0 0
- 4.3313 1.3152 0.0002 C 0 0 0
- 4.8268 0.0136 -0.0016 C 0 0 0
- 0.7443 2.8372 0.0000 H 0 0 0
- 2.1133 -2.9298 0.0000 H 0 0 0
- -0.1987 -3.8892 0.0000 H 0 0 0
- -3.9245 2.2306 0.0000 H 0 0 0
- -2.5654 -3.5235 0.0000 H 0 0 0
- -4.5042 -1.9508 0.0000 H 0 0 0
- 2.6260 2.5412 0.0000 H 0 0 0
- -0.8185 3.9782 0.0000 H 0 0 0
- -2.1881 4.5688 0.0000 H 0 0 0
- -2.7787 3.1992 0.0000 H 0 0 0
- -5.3924 0.3046 0.0000 H 0 0 0
- 4.3764 -2.0351 0.0000 H 0 0 0
- 5.0029 2.1283 0.0000 H 0 0 0
- 5.8694 -0.1455 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 2 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55268-74-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- 1.4164 0.0282 0.5983 C 0 0 0
- 2.5903 -0.8363 0.2192 C 0 0 0
- 1.6642 1.4183 0.2565 N 0 0 0
- 0.1412 -0.5267 -0.0165 C 0 0 0
- 3.7866 -0.3038 -0.2074 C 0 0 0
- 2.4422 -2.2136 0.3104 C 0 0 0
- 0.7538 2.2408 -0.2825 C 0 0 0
- 3.0155 1.9535 0.5237 C 0 0 0
- -0.9011 0.5061 -0.0355 N 0 0 0
- 4.0088 1.1797 -0.3410 C 0 0 0
- 4.8374 -1.1506 -0.5352 C 0 0 0
- 3.4864 -3.0531 -0.0189 C 0 0 0
- -0.5983 1.7633 -0.7373 C 0 0 0
- 1.0306 3.4148 -0.4088 O 0 0 0
- -2.0908 0.3101 0.5667 C 0 0 0
- 4.6894 -2.5189 -0.4423 C 0 0 0
- -3.2371 -0.2893 -0.2065 C 0 0 0
- -2.2389 0.6162 1.7308 O 0 0 0
- -3.6851 -1.5867 0.4696 C 0 0 0
- -4.4043 0.6994 -0.2366 C 0 0 0
- -4.8488 -2.1953 -0.3154 C 0 0 0
- -5.5680 0.0908 -1.0216 C 0 0 0
- -6.0160 -1.2066 -0.3456 C 0 0 0
- 0.6153 0.6608 0.0000 H 0 0 0
- -0.6630 -1.1554 0.0000 H 0 0 0
- 0.6634 -1.4038 0.0000 H 0 0 0
- 1.4993 -2.6048 0.0000 H 0 0 0
- 3.7750 2.6355 0.0000 H 0 0 0
- 2.4781 2.8214 0.0000 H 0 0 0
- 4.9779 0.8589 0.0000 H 0 0 0
- 4.4899 2.0800 0.0000 H 0 0 0
- 5.7806 -0.7603 0.0000 H 0 0 0
- 3.3544 -4.0653 0.0000 H 0 0 0
- -0.7484 2.7730 0.0000 H 0 0 0
- -1.6181 1.8086 0.0000 H 0 0 0
- 5.5140 -3.1206 0.0000 H 0 0 0
- -2.4635 -0.9553 0.0000 H 0 0 0
- -3.4719 -2.5850 0.0000 H 0 0 0
- -2.6662 -1.6490 0.0000 H 0 0 0
- -3.6500 1.3872 0.0000 H 0 0 0
- -4.9896 1.5357 0.0000 H 0 0 0
- -5.6031 -2.8831 0.0000 H 0 0 0
- -4.2635 -3.0316 0.0000 H 0 0 0
- -5.7812 1.0891 0.0000 H 0 0 0
- -6.5869 0.1531 0.0000 H 0 0 0
- -6.9325 -0.7572 0.0000 H 0 0 0
- -6.5749 -2.0608 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 9 15 1 0
- 11 16 2 0
- 15 17 1 0
- 15 18 2 0
- 17 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 8 10 1 0
- 9 13 1 0
- 12 16 1 0
- 22 23 1 0
- 1 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 16 36 1 0
- 17 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61064-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.5927 -0.3238 -0.0009 C 0 0 0
- -2.0723 -0.4330 -0.0006 C 0 0 0
- -0.2272 1.0202 -0.0002 C 0 0 0
- 0.4002 -1.3067 0.0034 C 0 0 0
- -2.6318 0.8417 0.0004 C 0 0 0
- -2.9112 -1.5494 -0.0011 C 0 0 0
- -1.4968 1.8363 0.0007 C 0 0 0
- 1.1024 1.3798 0.0001 C 0 0 0
- 1.7292 -0.9448 0.0019 C 0 0 0
- -4.0017 0.9995 0.0004 C 0 0 0
- -4.2802 -1.3820 -0.0007 C 0 0 0
- 2.0876 0.3986 -0.0004 C 0 0 0
- -4.8268 -0.1111 -0.0005 C 0 0 0
- 3.4351 0.7620 -0.0002 N 0 0 0
- 4.6462 -0.4452 -0.0008 Cl 0 0 0
- 0.1346 -2.3164 0.0000 H 0 0 0
- -2.5024 -2.5101 0.0000 H 0 0 0
- -0.8529 2.6581 0.0000 H 0 0 0
- -2.2551 2.5540 0.0000 H 0 0 0
- 1.3704 2.3889 0.0000 H 0 0 0
- 2.4694 -1.6812 0.0000 H 0 0 0
- -4.4165 1.9576 0.0000 H 0 0 0
- -4.9063 -2.2175 0.0000 H 0 0 0
- -5.8638 0.0101 0.0000 H 0 0 0
- 3.7037 1.7709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-51-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.4382 -0.1911 -0.2525 C 0 0 0
- 0.3952 -1.2712 -0.0312 C 0 0 0
- 0.0770 1.0918 -0.2490 C 0 0 0
- -1.9076 -0.4123 -0.5037 C 0 0 0
- 1.7443 -1.0687 0.1936 C 0 0 0
- 1.4257 1.2943 -0.0243 C 0 0 0
- -2.6691 0.2577 0.5029 O 0 0 0
- 2.2594 0.2139 0.1970 C 0 0 0
- 0.0134 -2.2207 0.0000 H 0 0 0
- -0.5577 1.8946 0.0000 H 0 0 0
- -2.7429 -1.0035 0.0000 H 0 0 0
- -1.5255 -1.3616 0.0000 H 0 0 0
- 2.3789 -1.8715 0.0000 H 0 0 0
- 1.8074 2.2438 0.0000 H 0 0 0
- -3.4374 0.9337 0.0000 H 0 0 0
- 3.2731 0.3543 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22433-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -1.0864 0.4966 -0.2426 C 0 0 0
- -1.6939 -0.7362 0.1041 C 0 0 0
- 0.2977 0.5510 -0.4657 C 0 0 0
- -1.8903 1.6477 -0.3504 C 0 0 0
- -0.8957 -1.8881 0.2185 C 0 0 0
- -3.0127 -0.7898 0.3179 N 0 0 0
- 1.0493 -0.5972 -0.3445 C 0 0 0
- -3.2295 1.5230 -0.1140 C 0 0 0
- 0.4434 -1.8116 -0.0027 C 0 0 0
- -3.7644 0.2788 0.2140 C 0 0 0
- 2.4298 -0.5491 -0.5657 N 0 0 0
- 3.1932 0.3200 0.1259 C 0 0 0
- 4.6572 0.4630 -0.2014 C 0 0 0
- 2.7019 0.9870 1.0118 O 0 0 0
- 0.7641 1.4557 0.0000 H 0 0 0
- -1.4621 2.5711 0.0000 H 0 0 0
- -1.3420 -2.8029 0.0000 H 0 0 0
- -3.8282 2.3462 0.0000 H 0 0 0
- 1.0034 -2.6616 0.0000 H 0 0 0
- -4.7768 0.1736 0.0000 H 0 0 0
- 2.8656 -1.4690 0.0000 H 0 0 0
- 4.7562 -0.5500 0.0000 H 0 0 0
- 5.6702 0.5620 0.0000 H 0 0 0
- 4.5582 1.4760 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 9 2 0
- 8 10 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2519-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 76 1 V2000
- -6.8372 2.6335 -0.5725 C 0 0 0
- -5.9070 3.5769 -0.0698 C 0 0 0
- -8.1565 3.0451 -0.8552 C 0 0 0
- -6.4334 1.3020 -0.7763 C 0 0 0
- -6.3151 4.9033 0.1377 C 0 0 0
- -4.5868 3.1733 0.2155 C 0 0 0
- -8.5179 4.3592 -0.6371 C 0 0 0
- -9.0872 2.1326 -1.3509 N 0 0 0
- -5.1190 0.9333 -0.4785 C 0 0 0
- -7.3097 0.3863 -1.2560 O 0 0 0
- -7.5964 5.2754 -0.1436 C 0 0 0
- -5.1712 6.0888 0.7627 S 0 0 0
- -4.2062 1.8887 0.0107 C 0 0 0
- -9.7617 2.4070 -2.4850 C 0 0 0
- -4.7162 -0.3509 -0.6712 N 0 0 0
- -5.1714 5.9189 2.1735 O 0 0 0
- -4.0275 6.0012 -0.0761 O 0 0 0
- -5.7631 7.4684 0.5122 O 0 0 0
- -2.5515 1.4040 0.3736 S 0 0 0
- -10.8381 1.4688 -2.9672 C 0 0 0
- -9.5026 3.4088 -3.1175 O 0 0 0
- -4.1263 -0.9915 0.2805 N 0 0 0
- -2.5611 0.9839 1.7310 O 0 0 0
- -2.1302 0.6131 -0.7292 O 0 0 0
- -1.6910 2.6589 0.3352 O 0 0 0
- -3.7235 -2.2759 0.0879 C 0 0 0
- -3.0542 -3.0067 1.1638 C 0 0 0
- -3.9505 -2.9056 -1.1324 C 0 0 0
- -2.6465 -4.3417 0.9354 C 0 0 0
- -2.8098 -2.4148 2.4080 C 0 0 0
- -3.5528 -4.2084 -1.3554 C 0 0 0
- -2.9071 -4.9492 -0.3695 C 0 0 0
- -2.0049 -5.0506 1.9571 C 0 0 0
- -2.1821 -3.1324 3.3839 C 0 0 0
- -2.5260 -6.2306 -0.6160 N 0 0 0
- -1.7811 -4.4455 3.1593 C 0 0 0
- -1.8745 -2.3857 4.9500 S 0 0 0
- -1.5159 -6.4669 -1.3828 N 0 0 0
- -3.0185 -2.6687 5.7440 O 0 0 0
- -0.5363 -2.7273 5.2844 O 0 0 0
- -1.8771 -0.8778 4.7435 O 0 0 0
- -0.7128 -5.4404 -1.7897 C 0 0 0
- 0.0912 -4.7679 -0.8644 C 0 0 0
- -0.6860 -5.0600 -3.1353 C 0 0 0
- 0.9000 -3.7325 -1.2832 C 0 0 0
- 0.1278 -4.0228 -3.5386 C 0 0 0
- 0.9171 -3.3585 -2.6155 C 0 0 0
- 1.9534 -2.0338 -3.1407 S 0 0 0
- 3.1945 -2.6303 -3.4917 O 0 0 0
- 1.1526 -1.2346 -4.0005 O 0 0 0
- 2.2403 -1.1695 -1.9212 O 0 0 0
- 14.2005 0.1662 -0.0660 Na 0 3 0
- 22.8067 1.1300 -0.0039 Na 0 3 0
- 31.4130 2.0938 0.0581 Na 0 3 0
- 40.0192 3.0576 0.1202 Na 0 3 0
- -3.8926 3.8615 0.0000 H 0 0 0
- -9.4626 4.6105 0.0000 H 0 0 0
- -8.8982 1.1735 0.0000 H 0 0 0
- -7.9856 -0.3200 0.0000 H 0 0 0
- -7.8382 6.2226 0.0000 H 0 0 0
- -11.4804 2.2057 0.0000 H 0 0 0
- -11.5750 0.8265 0.0000 H 0 0 0
- -10.1958 0.7319 0.0000 H 0 0 0
- -4.9278 -2.8813 0.0000 H 0 0 0
- -2.9690 -1.4503 0.0000 H 0 0 0
- -4.4076 -4.6827 0.0000 H 0 0 0
- -1.8196 -6.0104 0.0000 H 0 0 0
- -0.8040 -4.4738 0.0000 H 0 0 0
- 0.7939 -5.4475 0.0000 H 0 0 0
- -1.5982 -4.7085 0.0000 H 0 0 0
- 1.8168 -4.0718 0.0000 H 0 0 0
- -0.5752 -3.3435 0.0000 H 0 0 0
- -6.1485 8.3668 0.0000 H 0 0 0
- -1.1382 3.4651 0.0000 H 0 0 0
- -1.8788 0.0998 0.0000 H 0 0 0
- 2.5483 -0.2417 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 1 0
- 9 15 1 0
- 12 16 2 0
- 12 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 14 21 2 0
- 15 22 2 0
- 19 23 2 0
- 19 24 2 0
- 19 25 1 0
- 22 26 1 0
- 26 27 1 0
- 26 28 2 0
- 27 29 1 0
- 27 30 2 0
- 28 31 1 0
- 29 32 1 0
- 29 33 2 0
- 30 34 1 0
- 32 35 1 0
- 33 36 1 0
- 34 37 1 0
- 35 38 2 0
- 37 39 2 0
- 37 40 2 0
- 37 41 1 0
- 38 42 1 0
- 42 43 2 0
- 42 44 1 0
- 43 45 1 0
- 44 46 2 0
- 45 47 2 0
- 47 48 1 0
- 48 49 2 0
- 48 50 2 0
- 48 51 1 0
- 7 11 2 0
- 9 13 1 0
- 31 32 2 0
- 34 36 2 0
- 46 47 1 0
- 6 56 1 0
- 7 57 1 0
- 8 58 1 0
- 10 59 1 0
- 11 60 1 0
- 20 61 1 0
- 20 62 1 0
- 20 63 1 0
- 28 64 1 0
- 30 65 1 0
- 31 66 1 0
- 33 67 1 0
- 36 68 1 0
- 43 69 1 0
- 44 70 1 0
- 45 71 1 0
- 46 72 1 0
- 18 73 1 0
- 25 74 1 0
- 41 75 1 0
- 51 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-121-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.0005 -0.0041 0.0158 N 0 0 0
- 1.2030 -0.6428 0.5673 C 0 0 0
- -1.1526 -0.7274 0.5680 C 0 0 0
- -0.0481 1.3549 0.5715 C 0 0 0
- 2.1204 -1.0770 -0.5776 C 0 0 0
- -2.0079 -1.2737 -0.5770 C 0 0 0
- -0.1155 2.3707 -0.5707 C 0 0 0
- 0.4544 -1.1273 0.0000 H 0 0 0
- 1.2619 -1.5326 0.0000 H 0 0 0
- -1.1877 0.1636 0.0000 H 0 0 0
- -1.9429 -0.3144 0.0000 H 0 0 0
- 0.7438 0.9450 0.0000 H 0 0 0
- 0.6979 1.8433 0.0000 H 0 0 0
- 1.7389 -1.8830 0.0000 H 0 0 0
- 2.9264 -1.4585 0.0000 H 0 0 0
- 2.5019 -0.2710 0.0000 H 0 0 0
- -2.4879 -0.5222 0.0000 H 0 0 0
- -2.7594 -1.7537 0.0000 H 0 0 0
- -1.5279 -2.0252 0.0000 H 0 0 0
- 0.7743 2.4297 0.0000 H 0 0 0
- -0.1745 3.2605 0.0000 H 0 0 0
- -1.0053 2.3117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81316-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -1.0038 0.3228 0.0161 C 0 0 0
- -0.3472 -0.9117 -0.0258 C 0 0 0
- -0.1059 1.3949 0.0513 C 0 0 0
- -2.3940 0.4684 0.0166 C 0 0 0
- 1.0997 -0.6139 -0.0171 C 0 0 0
- -1.1434 -2.0435 -0.0631 C 0 0 0
- 1.2481 0.8043 0.0306 C 0 0 0
- -0.6502 2.6668 0.0939 C 0 0 0
- -3.1671 -0.7044 -0.0270 C 0 0 0
- -2.9073 1.7760 0.0603 C 0 0 0
- 2.2148 -1.4260 -0.0451 C 0 0 0
- -2.5318 -1.9153 -0.0580 C 0 0 0
- 2.5069 1.3688 0.0481 C 0 0 0
- -2.0351 2.8288 0.1000 C 0 0 0
- -4.6456 -0.6308 -0.0286 N 0 3 0
- 3.4985 -0.8603 -0.0280 C 0 0 0
- 3.6460 0.5504 0.0183 C 0 0 0
- -5.2951 -1.4136 0.6415 O 0 0 0
- -5.2127 0.2126 -0.6999 O 0 5 0
- 4.6471 -1.6714 -0.0573 C 0 0 0
- 4.9373 1.1072 0.0339 C 0 0 0
- 5.8803 -1.0958 -0.0408 C 0 0 0
- 6.0251 0.2897 0.0041 C 0 0 0
- -0.7037 -2.9952 0.0000 H 0 0 0
- -0.0229 3.5068 0.0000 H 0 0 0
- -3.9424 1.9419 0.0000 H 0 0 0
- 2.1026 -2.4683 0.0000 H 0 0 0
- -3.1149 -2.7865 0.0000 H 0 0 0
- 2.6123 2.4118 0.0000 H 0 0 0
- -2.4252 3.8019 0.0000 H 0 0 0
- 4.5538 -2.7156 0.0000 H 0 0 0
- 5.0614 2.1482 0.0000 H 0 0 0
- 6.7341 -1.7042 0.0000 H 0 0 0
- 6.9861 0.7086 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 20 22 2 0
- 21 23 2 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 16 17 1 0
- 22 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2403-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.9995 1.4696 -0.0026 C 0 0 0
- -2.1278 0.5395 -0.0030 C 0 0 0
- -1.2004 2.6703 0.0026 O 0 0 0
- 0.3855 0.9518 -0.0022 C 0 0 0
- -3.3930 1.0126 0.0022 C 0 0 0
- 1.4650 1.8373 -0.0017 C 0 0 0
- 0.6192 -0.4251 0.0036 C 0 0 0
- -4.5281 0.0769 0.0018 C 0 0 0
- 2.7544 1.3481 -0.0009 C 0 0 0
- 1.9129 -0.9018 0.0044 C 0 0 0
- -5.8398 0.5628 0.0072 C 0 0 0
- -4.3014 -1.3038 -0.0099 C 0 0 0
- 2.9797 -0.0182 -0.0005 C 0 0 0
- -6.8984 -0.3209 0.0068 C 0 0 0
- -5.3705 -2.1740 -0.0102 C 0 0 0
- 4.7509 -0.6805 0.0001 Br 0 0 0
- -6.6657 -1.6852 0.0010 C 0 0 0
- -1.9564 -0.4850 0.0000 H 0 0 0
- -3.5644 2.0371 0.0000 H 0 0 0
- 1.2973 2.8624 0.0000 H 0 0 0
- -0.1800 -1.0886 0.0000 H 0 0 0
- 3.5583 2.0059 0.0000 H 0 0 0
- 2.0880 -1.9257 0.0000 H 0 0 0
- -6.0160 1.5865 0.0000 H 0 0 0
- -3.3301 -1.6721 0.0000 H 0 0 0
- -7.8730 0.0383 0.0000 H 0 0 0
- -5.2038 -3.1993 0.0000 H 0 0 0
- -7.4672 -2.3459 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 10 13 1 0
- 15 17 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13558-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.1494 -0.0895 0.4410 C 0 0 0
- -1.2166 -0.6094 0.3112 C 0 0 0
- 0.3362 1.2993 0.3154 C 0 0 0
- 1.2867 -0.9913 0.7005 C 0 0 0
- -2.2784 0.2834 0.0692 C 0 0 0
- -1.4657 -1.9840 0.4264 C 0 0 0
- -0.8261 2.1504 0.0641 C 0 0 0
- 1.6243 1.8649 0.4291 C 0 0 0
- 2.0003 -1.5616 -0.3741 C 0 0 0
- 1.6682 -1.2817 2.0106 C 0 0 0
- -2.0589 1.6104 -0.0443 O 0 0 0
- -3.5673 -0.2148 -0.0525 C 0 0 0
- -2.7381 -2.4572 0.3038 C 0 0 0
- -0.6577 3.4986 -0.0596 C 0 0 0
- 1.7878 3.2021 0.3054 C 0 0 0
- 3.0727 -2.4112 -0.1128 C 0 0 0
- 1.6134 -1.2598 -1.7667 C 0 0 0
- 2.7345 -2.1266 2.2476 C 0 0 0
- -3.7969 -1.5783 0.0646 C 0 0 0
- 0.6313 4.0604 0.0551 C 0 0 0
- 3.4312 -2.6903 1.1923 C 0 0 0
- 2.2981 -1.8071 -2.7898 O 0 0 0
- 0.6777 -0.5179 -1.9899 O 0 0 0
- -5.0899 -2.0731 -0.0580 N 0 0 0
- 0.7945 5.3722 -0.0654 N 0 0 0
- -0.6811 -2.6408 0.0000 H 0 0 0
- 2.4454 1.2544 0.0000 H 0 0 0
- 2.2958 -0.4736 0.0000 H 0 0 0
- -4.3601 0.4321 0.0000 H 0 0 0
- -2.9096 -3.4660 0.0000 H 0 0 0
- -1.4772 4.1113 0.0000 H 0 0 0
- 2.7281 3.6056 0.0000 H 0 0 0
- 2.4407 -3.2159 0.0000 H 0 0 0
- 3.3740 -1.3279 0.0000 H 0 0 0
- 4.2327 -3.3264 0.0000 H 0 0 0
- 3.0974 -2.4460 0.0000 H 0 0 0
- -5.8844 -1.4283 0.0000 H 0 0 0
- -5.2510 -3.0836 0.0000 H 0 0 0
- 0.9208 6.3876 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 2 0
- 9 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 2 0
- 14 20 1 0
- 16 21 1 0
- 17 22 1 0
- 17 23 2 0
- 19 24 1 0
- 20 25 2 0
- 7 11 1 0
- 13 19 1 0
- 15 20 1 0
- 18 21 2 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 21 35 1 0
- 22 36 1 0
- 24 37 1 0
- 24 38 1 0
- 25 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23703-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.8873 -0.1427 -0.1468 C 0 0 0
- -2.3561 0.0122 -0.0026 C 0 0 0
- -0.1401 0.8426 -0.7886 C 0 0 0
- -0.2496 -1.2715 0.3642 C 0 0 0
- -3.1945 -1.0883 -0.1664 C 0 0 0
- -2.9013 1.2577 0.3029 C 0 0 0
- 1.2259 0.6934 -0.9200 C 0 0 0
- 1.1165 -1.4104 0.2272 C 0 0 0
- -4.5600 -0.9387 -0.0306 C 0 0 0
- -4.2678 1.3959 0.4364 C 0 0 0
- 1.8528 -0.4316 -0.4161 C 0 0 0
- -5.0961 0.3008 0.2675 C 0 0 0
- 3.3444 -0.5889 -0.5626 C 0 0 0
- 4.0440 0.0313 0.6485 C 0 0 0
- 5.5584 -0.1284 0.4997 C 0 0 0
- 4.8872 1.1007 0.2156 O 0 0 0
- -0.5474 1.7885 0.0000 H 0 0 0
- -0.8131 -2.1335 0.0000 H 0 0 0
- -2.7884 -2.0347 0.0000 H 0 0 0
- -2.2950 2.0901 0.0000 H 0 0 0
- 1.7951 1.5516 0.0000 H 0 0 0
- 1.5291 -2.3539 0.0000 H 0 0 0
- -5.1716 -1.7673 0.0000 H 0 0 0
- -4.6795 2.3399 0.0000 H 0 0 0
- -6.1186 0.4237 0.0000 H 0 0 0
- 2.9895 -1.5556 0.0000 H 0 0 0
- 4.1951 -1.1693 0.0000 H 0 0 0
- 3.2951 0.7382 0.0000 H 0 0 0
- 5.6577 -1.1534 0.0000 H 0 0 0
- 6.5428 0.1742 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 8 11 1 0
- 10 12 1 0
- 15 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-626-15-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -2.1982 -0.2002 -1.1959 C 0 0 0
- -3.5826 -0.5300 0.1605 Br 0 0 0
- -1.0518 0.5522 -0.5708 C 0 0 0
- -0.0004 -0.1399 0.0001 C 0 0 0
- -1.0489 1.9347 -0.5735 C 0 0 0
- 1.0513 0.5503 0.5736 C 0 0 0
- 0.0025 2.6248 -0.0002 C 0 0 0
- 2.1976 -0.2043 1.1962 C 0 0 0
- 1.0516 1.9325 0.5756 C 0 0 0
- 3.5821 -0.5297 -0.1613 Br 0 0 0
- -2.3764 -1.2135 0.0000 H 0 0 0
- -1.3387 -0.7658 0.0000 H 0 0 0
- -0.0011 -1.1688 0.0000 H 0 0 0
- -1.9538 2.4244 0.0000 H 0 0 0
- 0.0038 3.6537 0.0000 H 0 0 0
- 1.3382 -0.7700 0.0000 H 0 0 0
- 2.3774 -1.2173 0.0000 H 0 0 0
- 1.9576 2.4200 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 1 0
- 9 6 2 0
- 10 8 1 0
- 7 9 1 0
- 1 11 1 0
- 1 12 1 0
- 4 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61166-05-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.1317 -0.1775 -0.0028 C 0 0 0
- -1.5011 -0.7242 -0.0015 C 0 0 0
- -0.2609 1.2192 -0.0010 C 0 0 0
- 1.1333 -0.7606 -0.0001 C 0 0 0
- -2.3695 0.3778 0.0009 C 0 0 0
- -2.0166 -2.0178 -0.0023 C 0 0 0
- -1.6083 1.5330 0.0012 N 0 0 0
- 0.8845 2.0097 -0.0017 C 0 0 0
- 2.2558 0.0389 -0.0018 C 0 0 0
- -3.7440 0.1622 0.0019 C 0 0 0
- -3.3815 -2.2112 -0.0007 C 0 0 0
- -2.1513 2.8936 0.0043 C 0 0 0
- 2.1299 1.4197 -0.0040 C 0 0 0
- 3.6010 -0.5788 0.0010 N 0 3 0
- -4.2409 -1.1236 0.0004 C 0 0 0
- 4.5946 0.1256 -0.0005 O 0 0 0
- 3.7142 -1.7915 0.0049 O 0 5 0
- 1.2304 -1.7960 0.0000 H 0 0 0
- -1.3740 -2.8354 0.0000 H 0 0 0
- 0.8005 3.0462 0.0000 H 0 0 0
- -4.3969 0.9716 0.0000 H 0 0 0
- -3.7679 -3.1767 0.0000 H 0 0 0
- -1.1855 3.2790 0.0000 H 0 0 0
- -2.5367 3.8594 0.0000 H 0 0 0
- -3.1171 2.5082 0.0000 H 0 0 0
- 2.9825 2.0151 0.0000 H 0 0 0
- -5.2691 -1.2790 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 14 16 2 0
- 14 17 1 0
- 5 7 1 0
- 9 13 1 0
- 11 15 2 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-576-24-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.2888 -0.2996 -0.0021 C 0 0 0
- -1.6392 0.0204 -0.0012 C 0 0 0
- 0.6592 0.7082 -0.0007 C 0 0 0
- 0.2104 -1.9623 0.0023 Cl 0 0 0
- -2.0346 1.3501 0.0011 C 0 0 0
- -2.5729 -0.9674 -0.0030 O 0 0 0
- 0.2608 2.0332 0.0015 C 0 0 0
- 2.3490 0.3102 -0.0013 Cl 0 0 0
- -1.0843 2.3530 0.0024 C 0 0 0
- -3.0438 1.5914 0.0000 H 0 0 0
- -3.2857 -1.7215 0.0000 H 0 0 0
- 0.9727 2.7882 0.0000 H 0 0 0
- -1.3805 3.3475 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5926-90-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -3.6276 0.3111 -0.4280 C 0 0 0
- -4.8556 -0.5666 -0.1779 C 0 0 0
- -4.4350 0.4411 0.7439 O 0 0 0
- -2.3603 -0.4765 -0.0894 C 0 0 0
- -1.2134 0.3433 -0.3230 O 0 0 0
- -0.0683 -0.4442 0.0097 C 0 0 0
- 1.2008 0.3792 -0.2193 C 0 0 0
- 2.4269 -0.4638 0.1369 C 0 0 0
- 3.6959 0.3596 -0.0921 C 0 0 0
- 4.9220 -0.4835 0.2641 C 0 0 0
- 6.1911 0.3399 0.0352 C 0 0 0
- -3.2367 1.3564 0.0000 H 0 0 0
- -5.9698 -0.5033 0.0000 H 0 0 0
- -4.5452 -1.6385 0.0000 H 0 0 0
- -3.0685 -1.3390 0.0000 H 0 0 0
- -1.5980 -1.2916 0.0000 H 0 0 0
- -0.8153 -1.2733 0.0000 H 0 0 0
- 0.6562 -1.2931 0.0000 H 0 0 0
- 1.9478 1.2084 0.0000 H 0 0 0
- 0.4763 1.2281 0.0000 H 0 0 0
- 1.6799 -1.2930 0.0000 H 0 0 0
- 3.1514 -1.3126 0.0000 H 0 0 0
- 4.4429 1.1887 0.0000 H 0 0 0
- 2.9714 1.2085 0.0000 H 0 0 0
- 4.1750 -1.3126 0.0000 H 0 0 0
- 5.6465 -1.3324 0.0000 H 0 0 0
- 6.7985 -0.5963 0.0000 H 0 0 0
- 7.1273 0.9473 0.0000 H 0 0 0
- 5.5837 1.2761 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 2 3 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24471-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.0587 -0.0156 -0.0901 C 0 0 0
- -1.4092 -0.0894 -0.0014 C 0 0 0
- 0.6957 1.3136 -0.1054 C 0 0 0
- 0.7744 -1.1135 -0.1482 C 0 0 0
- -2.1730 1.1694 0.0680 C 0 0 0
- -2.0137 -1.2536 0.0152 C 0 0 0
- 2.0058 1.3975 -0.1841 C 0 0 0
- -0.1456 2.5175 -0.0329 C 0 0 0
- 2.2413 -1.0160 -0.2364 C 0 0 0
- 0.1007 -2.4230 -0.1249 C 0 0 0
- -1.4536 2.4518 0.0462 C 0 0 0
- -3.4849 1.1215 0.1477 C 0 0 0
- -1.2149 -2.4889 -0.0551 C 0 0 0
- -3.4829 -1.3037 0.1046 C 0 0 0
- 2.8169 0.1688 -0.2557 C 0 0 0
- -4.1719 -0.1825 0.1666 C 0 0 0
- 4.3179 0.2688 -0.3463 C 0 0 0
- 4.9078 -0.3923 0.7749 O 0 0 0
- 2.4968 2.3844 0.0000 H 0 0 0
- 0.3392 3.5075 0.0000 H 0 0 0
- 2.8568 -1.9304 0.0000 H 0 0 0
- 0.6982 -3.3493 0.0000 H 0 0 0
- -2.0343 3.3887 0.0000 H 0 0 0
- -4.0716 2.0547 0.0000 H 0 0 0
- -1.7174 -3.4700 0.0000 H 0 0 0
- -4.0044 -2.2748 0.0000 H 0 0 0
- -5.2736 -0.2189 0.0000 H 0 0 0
- 5.2811 0.8049 0.0000 H 0 0 0
- 4.0057 1.3260 0.0000 H 0 0 0
- 5.6417 -1.2148 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 12 16 1 0
- 15 17 1 0
- 17 18 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 16 2 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.1829 -0.7500 -0.2472 C 0 0 0
- -1.2623 -0.6428 0.2436 C 0 0 0
- 0.9793 0.3391 0.3337 N 0 0 0
- -1.8098 0.6144 -0.1583 O 0 0 0
- 2.3481 0.1787 -0.1748 C 0 0 0
- -0.0820 -1.7464 0.0000 H 0 0 0
- 1.1132 -1.1944 0.0000 H 0 0 0
- -2.2615 -0.8970 0.0000 H 0 0 0
- -1.1722 -1.6699 0.0000 H 0 0 0
- 0.5670 1.2841 0.0000 H 0 0 0
- -2.2215 1.5597 0.0000 H 0 0 0
- 2.2281 -0.8453 0.0000 H 0 0 0
- 3.3721 0.0587 0.0000 H 0 0 0
- 2.4681 1.2027 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- 0.7111 -1.9003 -0.0783 C 0 0 0
- -0.6858 -1.8241 0.0784 C 0 0 0
- 1.4893 -0.6881 -0.4112 C 0 0 0
- 1.3560 -3.1231 0.0880 C 0 0 0
- -1.3838 -0.5317 -0.0900 C 0 0 0
- -1.4063 -2.9735 0.3924 C 0 0 0
- 2.4955 -0.2921 0.3920 O 0 0 0
- 1.2214 -0.0495 -1.4089 O 0 0 0
- 0.6249 -4.2525 0.4048 C 0 0 0
- -2.7297 -0.4843 -0.0610 O 0 0 0
- -0.7436 0.4872 -0.2545 O 0 0 0
- -0.7494 -4.1797 0.5485 C 0 0 0
- 3.2599 0.8984 0.0650 C 0 0 0
- -3.4151 0.7850 -0.2264 C 0 0 0
- 3.7639 1.5508 1.3539 C 0 0 0
- 4.4530 0.5135 -0.8120 C 0 0 0
- -4.7757 0.5479 -0.8848 C 0 0 0
- -3.6179 1.4373 1.1426 C 0 0 0
- 4.5693 2.8052 1.0094 C 0 0 0
- 5.2584 1.7679 -1.1566 C 0 0 0
- -5.4979 1.8854 -1.0591 C 0 0 0
- -4.3401 2.7748 0.9684 C 0 0 0
- 5.7624 2.4203 0.1323 C 0 0 0
- -5.7007 2.5376 0.3099 C 0 0 0
- 2.3861 -3.1691 0.0000 H 0 0 0
- -2.4370 -2.9419 0.0000 H 0 0 0
- 1.0934 -5.1710 0.0000 H 0 0 0
- -1.2993 -5.0520 0.0000 H 0 0 0
- 2.4173 1.4927 0.0000 H 0 0 0
- -2.4647 1.1849 0.0000 H 0 0 0
- 4.1829 0.6086 0.0000 H 0 0 0
- 4.7920 1.4723 0.0000 H 0 0 0
- 4.0531 -0.4369 0.0000 H 0 0 0
- 5.3654 0.0332 0.0000 H 0 0 0
- -5.7304 0.1582 0.0000 H 0 0 0
- -4.4907 -0.4431 0.0000 H 0 0 0
- -2.5995 1.2755 0.0000 H 0 0 0
- -3.0216 2.2785 0.0000 H 0 0 0
- 4.9692 3.7556 0.0000 H 0 0 0
- 3.6569 3.2855 0.0000 H 0 0 0
- 4.8394 2.7101 0.0000 H 0 0 0
- 4.2303 1.8464 0.0000 H 0 0 0
- -6.5163 2.0472 0.0000 H 0 0 0
- -6.0942 1.0442 0.0000 H 0 0 0
- -3.3855 3.1645 0.0000 H 0 0 0
- -4.6252 3.7658 0.0000 H 0 0 0
- 6.6455 1.8879 0.0000 H 0 0 0
- 6.1897 3.3587 0.0000 H 0 0 0
- -5.9213 3.5449 0.0000 H 0 0 0
- -6.6976 2.2740 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 21 24 1 0
- 9 12 1 0
- 20 23 1 0
- 22 24 1 0
- 4 25 1 0
- 6 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64-67-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.0000 -0.5880 0.0002 S 0 0 0
- -1.0436 0.3132 0.6444 O 0 0 0
- 1.0436 0.3129 -0.6446 O 0 0 0
- 0.6634 -1.2399 1.0745 O 0 0 0
- -0.6634 -1.2405 -1.0738 O 0 0 0
- -2.0456 0.5575 -0.3446 C 0 0 0
- 2.0456 0.5577 0.3443 C 0 0 0
- -3.1310 1.4625 0.2417 C 0 0 0
- 3.1310 1.4624 -0.2425 C 0 0 0
- -2.8370 0.1209 0.0000 H 0 0 0
- -1.9262 -0.3384 0.0000 H 0 0 0
- 1.9264 -0.3382 0.0000 H 0 0 0
- 2.8370 0.1212 0.0000 H 0 0 0
- -2.5522 2.1567 0.0000 H 0 0 0
- -3.8252 2.0413 0.0000 H 0 0 0
- -3.7098 0.7683 0.0000 H 0 0 0
- 3.7097 0.7681 0.0000 H 0 0 0
- 3.8253 2.0411 0.0000 H 0 0 0
- 2.5523 2.1567 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-52-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.7162 0.4308 0.2137 C 0 0 0
- 0.2500 0.2091 0.4824 C 0 0 0
- 2.5566 0.8175 1.2412 C 0 0 0
- 2.2219 0.2421 -1.0587 C 0 0 0
- -0.5769 1.1618 -0.3834 C 0 0 0
- -0.2223 -1.6490 0.0470 Br 0 0 0
- 3.9012 1.0209 0.9948 C 0 0 0
- 3.5670 0.4456 -1.3052 C 0 0 0
- -2.4896 0.8725 -0.0328 Br 0 0 0
- 4.4060 0.8377 -0.2792 C 0 0 0
- -0.7065 -0.0178 0.0000 H 0 0 0
- 2.2748 1.7593 0.0000 H 0 0 0
- 2.1203 -0.7357 0.0000 H 0 0 0
- 0.2730 1.6559 0.0000 H 0 0 0
- -0.9032 2.0891 0.0000 H 0 0 0
- 3.9984 1.9991 0.0000 H 0 0 0
- 3.8516 -0.4953 0.0000 H 0 0 0
- 5.3881 0.8815 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 10 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98114-61-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 13 1 V2000
- -3.4245 -0.9821 -0.4531 C 0 0 0
- -4.4646 -0.1629 0.1740 N 0 0 0
- -2.2825 -1.2048 0.5404 C 0 0 0
- -4.7880 0.9745 -0.3414 N 0 0 0
- -1.1963 -2.0603 -0.1145 C 0 0 0
- -5.6528 1.6556 0.1800 O 0 0 0
- 7.7489 0.3363 -0.0053 K 0 3 0
- -4.1860 -1.4367 0.0000 H 0 0 0
- -3.2720 -1.8558 0.0000 H 0 0 0
- -1.5210 -0.7502 0.0000 H 0 0 0
- -2.4350 -0.3311 0.0000 H 0 0 0
- -1.7450 -2.7570 0.0000 H 0 0 0
- -0.4996 -2.6090 0.0000 H 0 0 0
- -0.6476 -1.3636 0.0000 H 0 0 0
- -6.3495 2.2043 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 1 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85815-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 59 1 V2000
- -3.8709 -0.4769 0.6364 N 0 0 0
- -2.6658 0.1556 0.9524 C 0 0 0
- -4.0728 -1.3932 -0.3362 C 0 0 0
- -5.1099 -0.2903 1.2708 N 0 0 0
- -2.2581 1.2926 0.2380 C 0 0 0
- -1.8701 -0.3342 1.9772 C 0 0 0
- -5.3292 -1.7436 -0.3138 N 0 0 0
- -3.0262 -1.9199 -1.2840 C 0 0 0
- -5.9700 -1.0788 0.6600 C 0 0 0
- -3.0994 1.8263 -0.8502 C 0 0 0
- -1.0516 1.9164 0.5636 C 0 0 0
- -0.6790 0.2923 2.2891 C 0 0 0
- -2.5480 -3.2209 -0.8095 N 0 0 0
- -7.4041 -1.2121 0.9943 C 0 0 0
- -4.4385 2.3718 -0.5488 C 0 0 0
- -2.6904 1.8170 -1.9952 O 0 0 0
- -0.2698 1.4124 1.5828 C 0 0 0
- -1.6030 -3.8855 -1.5034 C 0 0 0
- -7.8011 -2.1161 1.9118 N 0 0 0
- -8.2252 -0.5064 0.4416 O 0 0 0
- -5.2337 2.8895 -1.5758 C 0 0 0
- -4.9190 2.3677 0.7627 C 0 0 0
- 1.2296 2.1887 1.9865 Cl 0 0 0
- -1.1112 -5.2237 -1.0153 C 0 0 0
- -1.1484 -3.4066 -2.5207 O 0 0 0
- -8.0177 -3.5109 1.5198 C 0 0 0
- -8.0159 -1.7038 3.3010 C 0 0 0
- -6.4846 3.3972 -1.2858 C 0 0 0
- -4.6498 2.8945 -3.2107 Cl 0 0 0
- -6.1704 2.8782 1.0370 C 0 0 0
- -0.0909 -5.7371 -1.9392 N 0 0 0
- -6.9506 3.3941 0.0167 C 0 0 0
- 13.8746 -0.9010 0.5736 O 0 0 0
- 22.5025 -0.2426 0.2201 O 0 0 0
- 31.1305 0.4158 -0.1333 Cl 0 0 0
- -1.8995 -1.2045 0.0000 H 0 0 0
- -2.1581 -1.8508 0.0000 H 0 0 0
- -2.8588 -1.0653 0.0000 H 0 0 0
- -1.0101 2.7862 0.0000 H 0 0 0
- -0.0234 -0.2809 0.0000 H 0 0 0
- -3.2386 -3.7514 0.0000 H 0 0 0
- -5.0829 1.5125 0.0000 H 0 0 0
- -1.9793 -5.2928 0.0000 H 0 0 0
- -1.2786 -6.0783 0.0000 H 0 0 0
- -8.8782 -3.3773 0.0000 H 0 0 0
- -8.1513 -4.3714 0.0000 H 0 0 0
- -7.1572 -3.6445 0.0000 H 0 0 0
- -7.2436 -1.3015 0.0000 H 0 0 0
- -8.4182 -0.9315 0.0000 H 0 0 0
- -8.7882 -2.1061 0.0000 H 0 0 0
- -6.3206 4.2524 0.0000 H 0 0 0
- -6.5770 2.1081 0.0000 H 0 0 0
- -0.0409 -6.6065 0.0000 H 0 0 0
- 0.6370 -5.2591 0.0000 H 0 0 0
- -7.7853 3.6421 0.0000 H 0 0 0
- 13.0038 -0.9010 0.0000 H 0 0 0
- 14.7454 -0.9010 0.0000 H 0 0 0
- 21.6317 -0.2426 0.0000 H 0 0 0
- 23.3733 -0.2426 0.0000 H 0 0 0
- 32.0013 0.4158 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 2 0
- 11 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 18 24 1 0
- 18 25 2 0
- 19 26 1 0
- 19 27 1 0
- 21 28 2 0
- 21 29 1 0
- 22 30 1 0
- 24 31 1 0
- 28 32 1 0
- 7 9 1 0
- 12 17 2 0
- 30 32 2 0
- 6 36 1 0
- 8 37 1 0
- 8 38 1 0
- 11 39 1 0
- 12 40 1 0
- 13 41 1 0
- 22 42 1 0
- 24 43 1 0
- 24 44 1 0
- 26 45 1 0
- 26 46 1 0
- 26 47 1 0
- 27 48 1 0
- 27 49 1 0
- 27 50 1 0
- 28 51 1 0
- 30 52 1 0
- 31 53 1 0
- 31 54 1 0
- 32 55 1 0
- 33 56 1 0
- 33 57 1 0
- 34 58 1 0
- 34 59 1 0
- 35 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-575-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.4340 0.4330 0.0019 C 0 0 0
- -0.0899 -0.8837 0.0005 C 0 0 0
- 1.8311 0.6199 0.0016 C 0 0 0
- -0.4466 1.5275 -0.0023 C 0 0 0
- -1.4823 -1.0714 0.0008 C 0 0 0
- 0.7912 -1.9787 -0.0016 C 0 0 0
- 2.6610 -0.4786 -0.0001 C 0 0 0
- 2.3541 1.8731 0.0025 O 0 0 0
- -1.7898 1.3130 -0.0076 C 0 0 0
- -2.3100 0.0150 0.0024 C 0 0 0
- 2.1362 -1.7679 -0.0023 C 0 0 0
- -3.6564 -0.1678 0.0026 O 0 0 0
- -0.0715 2.5018 0.0000 H 0 0 0
- -1.8820 -2.0359 0.0000 H 0 0 0
- 0.4148 -2.9525 0.0000 H 0 0 0
- 3.6962 -0.3430 0.0000 H 0 0 0
- 2.7562 2.8366 0.0000 H 0 0 0
- -2.4414 2.1287 0.0000 H 0 0 0
- 2.7844 -2.5863 0.0000 H 0 0 0
- -4.6909 -0.3083 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 10 12 1 0
- 7 11 2 0
- 9 10 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68006-83-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.1194 -0.4042 -0.0016 C 0 0 0
- -1.3520 -0.4819 -0.0010 C 0 0 0
- 0.4497 0.9597 -0.0003 C 0 0 0
- 1.1351 -1.3610 0.0018 C 0 0 0
- -1.8171 0.8416 0.0008 C 0 0 0
- -2.2585 -1.5393 -0.0021 C 0 0 0
- -0.7216 1.6883 0.0011 N 0 0 0
- 1.7255 1.3301 -0.0002 N 0 0 0
- 2.4454 -0.9246 -0.0003 C 0 0 0
- -3.1872 1.0824 0.0018 C 0 0 0
- -3.6124 -1.2808 -0.0015 C 0 0 0
- 2.7067 0.4440 -0.0013 C 0 0 0
- 3.5794 -1.9171 0.0033 C 0 0 0
- -4.0735 0.0266 0.0011 C 0 0 0
- 4.0239 0.8861 -0.0016 N 0 0 0
- 0.9107 -2.3786 0.0000 H 0 0 0
- -1.9142 -2.5228 0.0000 H 0 0 0
- -0.7745 2.7290 0.0000 H 0 0 0
- -3.5438 2.0616 0.0000 H 0 0 0
- -4.2918 -2.0709 0.0000 H 0 0 0
- 2.8931 -2.7012 0.0000 H 0 0 0
- 4.3635 -2.6034 0.0000 H 0 0 0
- 4.2657 -1.1330 0.0000 H 0 0 0
- -5.0988 0.2128 0.0000 H 0 0 0
- 4.8050 0.1963 0.0000 H 0 0 0
- 4.2307 1.9074 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37393-11-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 72 1 V2000
- -0.1767 -1.8053 0.4760 C 0 0 0
- 0.2527 -3.1178 0.1973 C 0 0 0
- 0.7591 -0.7892 0.6186 C 0 0 0
- -1.6193 -1.5120 0.6095 C 0 0 0
- -0.7328 -4.1996 0.0444 C 0 0 0
- 1.6208 -3.3867 0.0665 C 0 0 0
- 2.1174 -1.0695 0.4861 C 0 0 0
- -2.6082 -2.5984 0.4501 C 0 0 0
- -1.9910 -0.3805 0.8502 O 0 0 0
- -2.1759 -3.9094 0.1831 C 0 0 0
- -0.3606 -5.3318 -0.1964 O 0 0 0
- 2.5438 -2.3590 0.2121 C 0 0 0
- 2.0433 -4.6469 -0.2011 O 0 0 0
- 3.0283 -0.0733 0.6258 O 0 0 0
- -3.9693 -2.3326 0.5739 C 0 0 0
- -3.1134 -4.9280 0.0401 C 0 0 0
- 4.0162 -2.6480 0.0719 C 0 0 0
- 3.1994 0.5141 -0.6656 C 0 0 1
- -4.8880 -3.3561 0.4231 C 0 0 0
- -4.4621 -4.6479 0.1719 C 0 0 0
- 4.4059 -2.4842 -1.2932 O 0 0 0
- 2.0863 1.3574 -0.9555 O 0 0 0
- 4.4908 1.3350 -0.6856 C 0 0 1
- 1.9333 2.2611 0.1373 C 0 0 2
- 4.4090 2.4209 0.3933 C 0 0 2
- 5.6033 0.4794 -0.4168 O 0 0 0
- 0.6377 3.0562 -0.0359 C 0 0 0
- 3.1211 3.2250 0.1831 C 0 0 2
- 5.5373 3.2905 0.2803 O 0 0 0
- -0.4723 2.1568 -0.0691 O 0 0 0
- 2.9495 4.1413 1.2662 O 0 0 0
- -1.6462 2.9552 -0.2318 C 0 0 1
- -2.7832 2.0862 -0.7740 C 0 0 1
- -2.0212 3.5112 1.0271 O 0 0 0
- -4.0257 2.9601 -0.9789 C 0 0 2
- -2.3914 1.5148 -2.0239 O 0 0 0
- -3.0780 4.4396 0.7912 C 0 0 0
- -4.3321 3.6920 0.3327 C 0 0 1
- -5.1361 2.1336 -1.3337 O 0 0 0
- -5.3925 4.6261 0.1204 O 0 0 0
- 0.4406 0.2000 0.0000 H 0 0 0
- 2.3736 -5.6322 0.0000 H 0 0 0
- -4.2994 -1.3472 0.0000 H 0 0 0
- -2.7954 -5.9173 0.0000 H 0 0 0
- 3.4997 -3.5497 0.0000 H 0 0 0
- 4.7047 -3.4263 0.0000 H 0 0 0
- 4.0304 -0.1098 0.0000 H 0 0 0
- -5.9051 -3.1430 0.0000 H 0 0 0
- -5.1540 -5.4233 0.0000 H 0 0 0
- 5.3639 -2.0815 0.0000 H 0 0 0
- 5.4052 1.8288 0.0000 H 0 0 0
- 1.0721 1.6795 0.0000 H 0 0 0
- 3.5198 1.8831 0.0000 H 0 0 0
- 6.4270 -0.1541 0.0000 H 0 0 0
- 1.2778 3.8749 0.0000 H 0 0 0
- -0.1035 3.7846 0.0000 H 0 0 0
- 3.9794 3.8108 0.0000 H 0 0 0
- 6.3604 3.9249 0.0000 H 0 0 0
- 2.7582 5.1627 0.0000 H 0 0 0
- -0.9100 3.6886 0.0000 H 0 0 0
- -3.5224 1.3558 0.0000 H 0 0 0
- -3.2158 3.6112 0.0000 H 0 0 0
- -1.8037 0.6577 0.0000 H 0 0 0
- -2.3147 5.1448 0.0000 H 0 0 0
- -3.7000 5.2721 0.0000 H 0 0 0
- -5.1763 3.0860 0.0000 H 0 0 0
- -5.9697 1.5131 0.0000 H 0 0 0
- -6.1723 5.3130 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 12 17 1 0
- 18 14 1 0
- 15 19 2 0
- 16 20 2 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 22 24 1 0
- 23 25 1 0
- 23 26 1 0
- 24 27 1 0
- 24 28 1 0
- 25 29 1 0
- 27 30 1 0
- 28 31 1 0
- 32 30 1 0
- 32 33 1 0
- 32 34 1 0
- 33 35 1 0
- 33 36 1 0
- 34 37 1 0
- 35 38 1 0
- 35 39 1 0
- 38 40 1 0
- 7 12 1 0
- 8 10 2 0
- 19 20 1 0
- 25 28 1 0
- 37 38 1 0
- 3 41 1 0
- 13 42 1 0
- 15 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 19 48 1 0
- 20 49 1 0
- 21 50 1 0
- 23 51 1 0
- 24 52 1 0
- 25 53 1 0
- 26 54 1 0
- 27 55 1 0
- 27 56 1 0
- 28 57 1 0
- 29 58 1 0
- 31 59 1 0
- 32 60 1 0
- 33 61 1 0
- 35 62 1 0
- 36 63 1 0
- 37 64 1 0
- 37 65 1 0
- 38 66 1 0
- 39 67 1 0
- 40 68 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37515-51-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.2195 0.8085 0.0022 C 0 0 0
- -0.5234 -0.3872 0.0012 C 0 0 0
- 1.6824 0.7370 0.0017 C 0 0 0
- -0.4399 2.0507 -0.0021 C 0 0 0
- -1.9863 -0.2998 0.0012 C 0 0 0
- 0.1218 -1.6348 -0.0002 C 0 0 0
- 2.3044 -0.5326 0.0005 C 0 0 0
- 2.4700 1.8915 0.0020 C 0 0 0
- -1.7899 2.1362 -0.0077 C 0 0 0
- -2.5941 0.9770 0.0024 C 0 0 0
- -2.7850 -1.4467 -0.0005 C 0 0 0
- 1.4771 -1.7347 -0.0006 C 0 0 0
- 3.7030 -0.6123 -0.0007 C 0 0 0
- 3.8307 1.7807 0.0010 C 0 0 0
- -3.9947 1.0682 0.0022 C 0 0 0
- -4.1442 -1.3234 -0.0010 C 0 0 0
- 2.0644 -2.9590 -0.0015 O 0 0 0
- 4.4443 0.5330 -0.0006 C 0 0 0
- -4.7458 -0.0692 0.0010 C 0 0 0
- 0.1291 2.9325 0.0000 H 0 0 0
- -0.4564 -2.5106 0.0000 H 0 0 0
- 2.0179 2.8385 0.0000 H 0 0 0
- -2.2468 3.0809 0.0000 H 0 0 0
- -2.3418 -2.3979 0.0000 H 0 0 0
- 4.1780 -1.5481 0.0000 H 0 0 0
- 4.4211 2.6483 0.0000 H 0 0 0
- -4.4616 2.0080 0.0000 H 0 0 0
- -4.7428 -2.1854 0.0000 H 0 0 0
- 2.5183 -3.9052 0.0000 H 0 0 0
- 5.4919 0.4714 0.0000 H 0 0 0
- -5.7928 0.0023 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 2 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-07-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.7492 -0.0001 0.0042 C 0 0 0
- 1.4402 -1.1971 0.0031 C 0 0 0
- 1.4406 1.1972 0.0032 C 0 0 0
- -0.7577 0.0000 0.0002 C 0 0 0
- 2.8228 -1.1972 0.0010 C 0 0 0
- 2.8227 1.1971 0.0010 C 0 0 0
- -1.3587 1.6999 0.0027 Cl 0 0 0
- -1.3549 -0.8463 -1.4756 Cl 0 0 0
- -1.3627 -0.8535 1.4687 Cl 0 0 0
- 3.5139 -0.0002 -0.0001 C 0 0 0
- 0.9218 -2.0949 0.0000 H 0 0 0
- 0.9223 2.0951 0.0000 H 0 0 0
- 3.3411 -2.0951 0.0000 H 0 0 0
- 3.3411 2.0949 0.0000 H 0 0 0
- 4.5507 -0.0002 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 10 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.7055 -0.4215 0.0000 C 0 0 0
- -0.4957 0.4129 0.0000 C 0 0 0
- 1.9129 0.1471 0.0000 C 0 0 0
- -1.5934 -0.1040 0.0000 O 0 0 0
- 0.6220 -1.4190 0.0000 H 0 0 0
- -0.4122 1.4104 0.0000 H 0 0 0
- 2.7350 -0.4239 0.0000 H 0 0 0
- 1.9964 1.1446 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75464-10-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -1.2313 -0.0001 0.1024 C 0 0 0
- -0.4817 -1.2564 0.0663 C 0 0 0
- -0.4817 1.2565 0.0665 C 0 0 0
- -2.6358 -0.0001 0.1642 C 0 0 0
- 0.9336 -1.2232 -0.0018 C 0 0 0
- -1.1473 -2.4872 0.0986 C 0 0 0
- 0.9333 1.2234 -0.0016 C 0 0 0
- -1.1474 2.4872 0.0982 C 0 0 0
- -3.4460 -0.0002 -1.1065 C 0 0 0
- -3.1968 -0.0002 1.2428 O 0 0 0
- 1.6194 0.0000 -0.0337 C 0 0 0
- 1.6456 -2.4436 -0.0362 C 0 0 0
- -0.4345 -3.6500 0.0647 C 0 0 0
- 1.6453 2.4438 -0.0357 C 0 0 0
- -0.4348 3.6501 0.0635 C 0 0 0
- -4.9364 -0.0002 -0.7610 C 0 0 0
- 2.9693 0.0000 -0.0976 O 0 0 0
- 0.9541 -3.6349 -0.0030 C 0 0 0
- 3.0007 -2.4421 -0.1009 O 0 0 0
- 0.9538 3.6351 -0.0023 C 0 0 0
- 3.0005 2.4423 -0.1004 O 0 0 0
- -2.1963 -2.5156 0.0000 H 0 0 0
- -2.1964 2.5155 0.0000 H 0 0 0
- -3.9707 -0.9090 0.0000 H 0 0 0
- -2.9212 -0.9090 0.0000 H 0 0 0
- -0.9422 -4.5684 0.0000 H 0 0 0
- -0.9426 4.5685 0.0000 H 0 0 0
- -4.9364 1.0492 0.0000 H 0 0 0
- -5.9858 -0.0002 0.0000 H 0 0 0
- -4.9364 -1.0496 0.0000 H 0 0 0
- 4.0187 0.0000 0.0000 H 0 0 0
- 1.4827 -4.5415 0.0000 H 0 0 0
- 4.0501 -2.4409 0.0000 H 0 0 0
- 1.4823 4.5417 0.0000 H 0 0 0
- 4.0499 2.4411 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 12 19 1 0
- 14 20 2 0
- 14 21 1 0
- 7 11 1 0
- 13 18 1 0
- 15 20 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98151-92-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.0441 -0.1130 -0.0013 C 0 0 0
- -1.4006 0.2579 -0.0010 C 0 0 0
- 0.9559 0.8744 0.0002 C 0 0 0
- 0.3117 -1.5330 0.0028 C 0 0 0
- -2.4049 -0.7347 -0.0016 C 0 0 0
- -1.7422 1.6300 0.0005 C 0 0 0
- 2.3534 0.4459 -0.0002 C 0 0 0
- 0.5906 2.2333 0.0017 C 0 0 0
- 1.6444 -1.9069 0.0021 C 0 0 0
- -0.7705 -2.5176 0.0072 C 0 0 0
- -3.7497 -0.3302 -0.0012 C 0 0 0
- -2.0579 -2.1068 -0.0021 C 0 0 0
- -0.7163 2.6004 0.0011 C 0 0 0
- -3.0960 1.9937 0.0008 C 0 0 0
- 2.6619 -0.9380 -0.0021 C 0 0 0
- 3.3918 1.3851 0.0008 C 0 0 0
- -4.0717 1.0235 -0.0002 C 0 0 0
- -4.7618 -1.2847 -0.0023 N 0 0 0
- 4.0141 -1.3350 -0.0029 C 0 0 0
- 4.6882 0.9639 -0.0001 C 0 0 0
- 4.9968 -0.3942 -0.0019 C 0 0 0
- 1.3399 2.9742 0.0000 H 0 0 0
- 1.8987 -2.9295 0.0000 H 0 0 0
- -0.5460 -3.5472 0.0000 H 0 0 0
- -2.8255 -2.8288 0.0000 H 0 0 0
- -0.9687 3.6235 0.0000 H 0 0 0
- -3.3670 3.0120 0.0000 H 0 0 0
- 3.1715 2.4156 0.0000 H 0 0 0
- -5.0852 1.3120 0.0000 H 0 0 0
- -5.7712 -0.9823 0.0000 H 0 0 0
- -4.5190 -2.3101 0.0000 H 0 0 0
- 4.2636 -2.3588 0.0000 H 0 0 0
- 5.4663 1.6745 0.0000 H 0 0 0
- 6.0060 -0.6974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86451-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -0.0326 0.7620 -0.7481 C 0 0 0
- -1.1315 0.1747 0.1397 C 0 0 0
- 1.2745 0.5183 -0.1329 N 0 0 0
- -2.4966 0.4292 -0.5028 C 0 0 0
- -0.9273 -1.2324 0.2825 O 0 0 0
- 1.9266 -0.5598 -0.4094 N 0 0 0
- 1.8410 1.4990 0.7964 C 0 0 0
- -3.5230 -0.1193 0.3264 O 0 0 0
- 3.0132 -0.7624 0.1021 O 0 0 0
- 0.4037 1.5943 0.0000 H 0 0 0
- -0.6997 1.4239 0.0000 H 0 0 0
- -1.2750 1.1034 0.0000 H 0 0 0
- -2.0602 1.2615 0.0000 H 0 0 0
- -3.1637 1.0911 0.0000 H 0 0 0
- -0.7923 -2.1624 0.0000 H 0 0 0
- 2.6547 1.0289 0.0000 H 0 0 0
- 2.3111 2.3127 0.0000 H 0 0 0
- 1.0273 1.9691 0.0000 H 0 0 0
- -4.3518 -0.5622 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6606-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- -4.3210 -0.2252 0.0000 O 0 0 0
- -5.5219 0.3870 0.0000 C 0 0 0
- -3.1031 0.5654 0.0000 C 0 0 0
- -6.7545 -0.4131 0.0000 C 0 0 0
- -5.5853 1.6007 0.0000 O 0 0 0
- -1.8899 -0.3669 0.0000 C 0 0 0
- -6.6759 -1.9181 0.0000 C 0 0 0
- -7.9402 0.1913 0.0000 C 0 0 0
- -0.6066 0.4661 0.0000 C 0 0 0
- 0.6066 -0.4661 0.0000 C 0 0 0
- 1.8899 0.3669 0.0000 C 0 0 0
- 3.1031 -0.5654 0.0000 C 0 0 0
- 4.3210 0.2252 0.0000 O 0 0 0
- 5.5219 -0.3870 0.0000 C 0 0 0
- 6.7545 0.4131 0.0000 C 0 0 0
- 5.5853 -1.6007 0.0000 O 0 0 0
- 6.6759 1.9181 0.0000 C 0 0 0
- 7.9402 -0.1913 0.0000 C 0 0 0
- -2.3371 1.3578 0.0000 H 0 0 0
- -3.8038 1.4161 0.0000 H 0 0 0
- -2.6559 -1.1593 0.0000 H 0 0 0
- -1.1892 -1.2176 0.0000 H 0 0 0
- -7.7765 -1.9756 0.0000 H 0 0 0
- -6.6184 -3.0187 0.0000 H 0 0 0
- -5.5753 -1.8606 0.0000 H 0 0 0
- -7.9977 1.2919 0.0000 H 0 0 0
- -8.8646 -0.4088 0.0000 H 0 0 0
- 0.1594 1.2585 0.0000 H 0 0 0
- -1.3073 1.3168 0.0000 H 0 0 0
- -0.1594 -1.2585 0.0000 H 0 0 0
- 1.3073 -1.3168 0.0000 H 0 0 0
- 2.6559 1.1593 0.0000 H 0 0 0
- 1.1892 1.2176 0.0000 H 0 0 0
- 2.3371 -1.3578 0.0000 H 0 0 0
- 3.8038 -1.4161 0.0000 H 0 0 0
- 7.7765 1.9756 0.0000 H 0 0 0
- 6.6184 3.0187 0.0000 H 0 0 0
- 5.5753 1.8606 0.0000 H 0 0 0
- 7.9977 -1.2919 0.0000 H 0 0 0
- 8.8646 0.4088 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 15 18 2 0
- 3 19 1 0
- 3 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56715-28-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.2512 -0.2627 0.0359 C 0 0 0
- -0.0663 0.2361 0.0955 C 0 0 0
- 2.3336 0.6468 -0.0595 C 0 0 0
- 1.5114 -1.6415 0.0753 C 0 0 0
- -1.1175 -0.6188 0.1876 O 0 0 0
- -0.2781 1.5854 0.0602 C 0 0 0
- 2.0733 2.0278 -0.0926 C 0 0 0
- 3.6468 0.1507 -0.1189 C 0 0 0
- 2.7969 -2.0867 0.0160 C 0 0 0
- -2.2996 0.1830 0.2284 C 0 0 0
- 0.7888 2.4751 -0.0337 C 0 0 0
- 3.8612 -1.1932 -0.0839 C 0 0 0
- -3.5275 -0.7238 0.3328 C 0 0 0
- -4.7933 0.1347 0.3764 C 0 0 0
- -4.3609 -0.5308 -0.8120 O 0 0 0
- 0.7224 -2.3224 0.0000 H 0 0 0
- -1.2535 1.9526 0.0000 H 0 0 0
- 2.8630 2.7079 0.0000 H 0 0 0
- 4.4546 0.8092 0.0000 H 0 0 0
- 2.9860 -3.1116 0.0000 H 0 0 0
- -1.6211 0.9741 0.0000 H 0 0 0
- -3.0093 0.9463 0.0000 H 0 0 0
- 0.6022 3.5005 0.0000 H 0 0 0
- 4.8377 -1.5575 0.0000 H 0 0 0
- -3.3161 -1.7444 0.0000 H 0 0 0
- -4.5809 1.1550 0.0000 H 0 0 0
- -5.8176 -0.0575 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 13 14 1 0
- 13 15 1 0
- 7 11 2 0
- 9 12 2 0
- 14 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-60-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.8716 0.4240 -0.0662 C 0 0 0
- -0.3734 0.9615 -0.1553 O 0 0 0
- 1.9807 1.2519 0.0263 C 0 0 0
- 1.0350 -0.9539 -0.0618 C 0 0 0
- -1.2903 -0.1316 -0.2359 C 0 0 0
- 3.2454 0.7030 0.1168 C 0 0 0
- 2.3015 -1.4977 0.0288 C 0 0 0
- -2.7185 0.4074 -0.3389 C 0 0 0
- 3.4060 -0.6701 0.1151 C 0 0 0
- -3.7003 -0.7629 -0.4251 C 0 0 0
- -3.4782 -0.0384 0.7864 O 0 0 0
- 1.8609 2.2809 0.0000 H 0 0 0
- 0.2051 -1.5739 0.0000 H 0 0 0
- -1.7625 -1.0537 0.0000 H 0 0 0
- -0.4269 -0.7042 0.0000 H 0 0 0
- 4.0771 1.3207 0.0000 H 0 0 0
- 2.4242 -2.5264 0.0000 H 0 0 0
- -2.8063 1.4397 0.0000 H 0 0 0
- 4.3579 -1.0789 0.0000 H 0 0 0
- -4.7318 -0.8587 0.0000 H 0 0 0
- -3.2194 -1.6805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 1 0
- 7 9 1 0
- 10 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38716-10-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 1.2398 -0.9421 0.4219 C 0 0 2
- -0.2178 -0.9623 0.2768 N 0 0 0
- 1.6801 0.4107 0.6708 O 0 0 0
- 1.8964 -1.3300 -0.9215 C 0 0 0
- -0.8774 -2.1334 0.3378 C 0 0 0
- -0.8963 0.2106 0.0861 C 0 0 0
- 3.0691 0.4374 0.2762 C 0 0 1
- 3.1276 -0.4016 -1.0196 C 0 0 1
- -2.2163 -2.1809 0.2076 N 0 0 0
- -0.2553 -3.1633 0.5125 O 0 0 0
- -2.2397 0.1918 -0.0477 C 0 0 0
- 3.4847 1.8777 -0.0297 C 0 0 0
- 4.3195 -1.1899 -1.0233 O 0 0 0
- -2.9208 -1.0479 0.0129 C 0 0 0
- -3.0040 1.4734 -0.2586 C 0 0 0
- 3.3450 2.6743 1.1484 O 0 0 0
- -4.1321 -1.0900 -0.1049 O 0 0 0
- -2.0922 2.5735 -0.2813 O 0 0 0
- -2.8950 3.7861 -0.4890 O 0 0 0
- 0.9754 -1.9366 0.0000 H 0 0 0
- 1.2622 -2.1405 0.0000 H 0 0 0
- 2.6176 -2.0642 0.0000 H 0 0 0
- -0.3884 1.1056 0.0000 H 0 0 0
- 4.0925 0.3289 0.0000 H 0 0 0
- 4.0165 0.1169 0.0000 H 0 0 0
- -2.7002 -3.0891 0.0000 H 0 0 0
- 4.3021 1.2524 0.0000 H 0 0 0
- 4.3643 2.4118 0.0000 H 0 0 0
- 5.1779 -1.7576 0.0000 H 0 0 0
- -3.7167 2.2157 0.0000 H 0 0 0
- -3.8224 0.8495 0.0000 H 0 0 0
- 3.1672 3.6879 0.0000 H 0 0 0
- -3.4631 4.6442 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 18 19 1 0
- 7 8 1 0
- 11 14 1 0
- 1 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-22-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 1.2538 0.3348 0.1942 C 0 0 0
- -0.0055 -0.2460 -0.4521 C 0 0 0
- 2.4615 -0.5285 -0.1757 C 0 0 0
- 1.4738 1.7624 -0.3102 C 0 0 0
- -1.2132 0.6173 -0.0822 C 0 0 0
- 3.7208 0.0524 0.4707 C 0 0 0
- -2.4535 0.0452 -0.7189 C 0 0 0
- 4.8488 -0.7540 0.1252 O 0 0 0
- -3.4984 -0.2364 0.0194 C 0 0 0
- -3.9904 -1.6574 0.1182 C 0 0 0
- -4.2085 0.8607 0.7699 C 0 0 0
- 0.4231 0.9608 0.0000 H 0 0 0
- -0.7467 -0.9756 0.0000 H 0 0 0
- 0.5859 -1.1016 0.0000 H 0 0 0
- 1.7203 -1.2582 0.0000 H 0 0 0
- 3.0530 -1.3841 0.0000 H 0 0 0
- 2.5018 1.6040 0.0000 H 0 0 0
- 1.6322 2.7904 0.0000 H 0 0 0
- 0.4458 1.9208 0.0000 H 0 0 0
- -0.4720 1.3469 0.0000 H 0 0 0
- -1.8046 1.4729 0.0000 H 0 0 0
- 4.4621 0.7820 0.0000 H 0 0 0
- 3.1294 0.9080 0.0000 H 0 0 0
- -2.0991 -0.9327 0.0000 H 0 0 0
- 5.6949 -1.3589 0.0000 H 0 0 0
- -4.9733 -1.3171 0.0000 H 0 0 0
- -4.3307 -2.6403 0.0000 H 0 0 0
- -3.0075 -1.9977 0.0000 H 0 0 0
- -3.3353 1.4259 0.0000 H 0 0 0
- -4.7737 1.7339 0.0000 H 0 0 0
- -5.0817 0.2955 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 2 0
- 9 10 1 0
- 9 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 11 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97166-13-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.4293 0.3223 -0.8181 C 0 0 0
- -1.7960 1.0061 -0.8915 C 0 0 0
- 0.5639 1.2429 -0.1061 C 0 0 0
- -0.5926 -1.3631 0.1809 Br 0 0 0
- -2.7892 0.0855 -1.6035 C 0 0 0
- -2.3859 1.3510 0.7770 Cl 0 0 0
- 2.3201 0.3643 -0.0117 Br 0 0 0
- 0.5393 -0.1575 0.0000 H 0 0 0
- -1.2811 1.9565 0.0000 H 0 0 0
- 1.1596 2.1449 0.0000 H 0 0 0
- -0.2604 1.9421 0.0000 H 0 0 0
- -3.5240 0.8783 0.0000 H 0 0 0
- -3.5820 -0.6493 0.0000 H 0 0 0
- -2.0544 -0.7073 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89795-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.0568 0.3160 -0.0025 C 0 0 0
- -0.1579 -1.0809 -0.0020 C 0 0 0
- 1.3272 0.8644 -0.0005 C 0 0 0
- -1.5959 0.9579 0.0010 S 0 0 0
- 0.9949 -1.9032 0.0003 C 0 0 0
- -1.5199 -1.4346 -0.0039 C 0 0 0
- 2.4283 0.0221 0.0022 C 0 0 0
- 1.4984 2.2515 -0.0015 N 0 0 0
- -2.4476 -0.5253 0.0030 N 0 0 0
- 2.2380 -1.3543 0.0019 C 0 0 0
- 0.8883 -2.9460 0.0000 H 0 0 0
- -1.7900 -2.4474 0.0000 H 0 0 0
- 3.3977 0.4208 0.0000 H 0 0 0
- 2.4635 2.6605 0.0000 H 0 0 0
- 0.6617 2.8829 0.0000 H 0 0 0
- 3.0749 -1.9855 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 9 2 0
- 7 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1609-93-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.2322 -0.4634 0.0000 C 0 0 0
- -1.6280 -0.0132 0.0000 C 0 0 0
- 0.7576 0.4317 0.0000 C 0 0 0
- -2.6281 -0.9176 0.0000 O 0 0 0
- -1.8834 1.1754 0.0000 O 0 0 0
- 2.4098 -0.1012 0.0000 Cl 0 0 0
- -0.0198 -1.4521 0.0000 H 0 0 0
- 0.5452 1.4204 0.0000 H 0 0 0
- -3.3782 -1.5959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 3 8 1 0
- 4 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100527-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.7329 0.7318 -0.0026 C 0 0 0
- -0.7329 0.7317 -0.0006 C 0 0 0
- 1.4114 1.9713 -0.0018 C 0 0 0
- 1.4643 -0.4574 0.0004 C 0 0 0
- -1.4117 1.9714 0.0021 C 0 0 0
- -1.4640 -0.4573 -0.0018 C 0 0 0
- 0.6740 3.1782 0.0015 C 0 0 0
- 2.8135 1.9830 -0.0037 C 0 0 0
- 2.8293 -0.4126 -0.0011 C 0 0 0
- -0.6742 3.1783 0.0024 C 0 0 0
- -2.8134 1.9830 0.0041 C 0 0 0
- -2.8294 -0.4125 -0.0003 C 0 0 0
- 3.5004 0.8046 -0.0063 C 0 0 0
- 3.6029 -1.6746 0.0021 N 0 3 0
- -3.5004 0.8042 0.0033 C 0 0 0
- -3.6028 -1.6746 -0.0016 N 0 3 0
- 4.8205 -1.6426 0.0008 O 0 0 0
- 3.0218 -2.7450 0.0062 O 0 5 0
- -4.8204 -1.6427 -0.0002 O 0 0 0
- -3.0217 -2.7450 -0.0039 O 0 5 0
- 0.9696 -1.3775 0.0000 H 0 0 0
- -0.9693 -1.3774 0.0000 H 0 0 0
- 1.1851 4.0893 0.0000 H 0 0 0
- 3.3302 2.8909 0.0000 H 0 0 0
- -1.1852 4.0895 0.0000 H 0 0 0
- -3.3301 2.8909 0.0000 H 0 0 0
- 4.5450 0.8171 0.0000 H 0 0 0
- -4.5450 0.8166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 16 20 1 0
- 7 10 2 0
- 9 13 1 0
- 12 15 2 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21490-63-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.7650 0.2920 -0.4847 C 0 0 1
- -0.7650 0.2920 -0.4847 C 0 0 2
- 0.0000 1.0456 0.4581 O 0 0 0
- 1.2750 -0.9885 0.1796 C 0 0 0
- -1.2750 -0.9885 0.1796 C 0 0 0
- 1.6263 0.8637 0.0000 H 0 0 0
- -1.6263 0.8637 0.0000 H 0 0 0
- 0.3146 -1.3710 0.0000 H 0 0 0
- 1.6575 -1.9489 0.0000 H 0 0 0
- 2.2354 -0.6060 0.0000 H 0 0 0
- -2.2354 -0.6060 0.0000 H 0 0 0
- -1.6575 -1.9489 0.0000 H 0 0 0
- -0.3146 -1.3710 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2941-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.8093 -0.4263 0.0000 S 0 0 0
- -0.6892 0.4017 0.0000 C 0 0 0
- 2.3595 0.5080 0.0000 C 0 0 0
- -0.7120 1.6153 0.0000 O 0 0 0
- -2.1760 -0.4944 0.0000 Cl 0 0 0
- 3.5409 -0.4643 0.0000 C 0 0 0
- 3.2823 1.4009 0.0000 H 0 0 0
- 1.5766 1.5258 0.0000 H 0 0 0
- 2.7249 -1.4557 0.0000 H 0 0 0
- 4.5323 -1.2803 0.0000 H 0 0 0
- 4.3569 0.5271 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106871-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- -2.3278 -0.1432 -0.5161 C 0 0 0
- -1.0033 0.0102 -1.2184 C 0 0 0
- -2.3324 -1.6953 0.4401 P 0 0 0
- -2.5846 1.2660 0.6115 P 0 0 0
- -3.3789 -0.1767 -1.4837 O 0 0 0
- 0.1700 -0.0135 -0.4906 C 0 0 0
- -0.9639 0.1690 -2.5917 C 0 0 0
- -3.7831 -1.9125 1.1037 O 0 0 0
- -1.9996 -2.9296 -0.5385 O 0 0 0
- -1.3084 -1.6209 1.5062 O 0 0 0
- -1.5608 1.1566 1.8491 O 0 0 0
- -2.3227 2.6425 -0.1815 O 0 0 0
- -3.9750 1.2454 1.1181 O 0 0 0
- 1.3906 0.1280 -1.1388 C 0 0 0
- 0.2492 0.3102 -3.2400 C 0 0 0
- 2.5793 0.1040 -0.4058 N 0 0 0
- 1.4262 0.2930 -2.5174 C 0 0 0
- 2.4713 1.1613 0.6083 C 0 0 0
- 2.6033 -1.1742 0.3178 C 0 0 0
- 2.7479 0.4474 -3.2248 C 0 0 0
- 2.9911 2.4786 0.0291 C 0 0 0
- 4.0006 -1.7895 0.2199 C 0 0 0
- 2.8585 3.7762 1.2738 Cl 0 0 0
- 4.0301 -3.3583 1.1080 Cl 0 0 0
- -4.3372 -0.2072 0.0000 H 0 0 0
- 0.2156 -0.9712 0.0000 H 0 0 0
- -1.5974 0.8887 0.0000 H 0 0 0
- -4.7313 -2.0545 0.0000 H 0 0 0
- -1.7500 -3.8553 0.0000 H 0 0 0
- -0.6074 1.0547 0.0000 H 0 0 0
- -2.1435 3.5844 0.0000 H 0 0 0
- 0.2007 1.2678 0.0000 H 0 0 0
- 1.7634 1.8080 0.0000 H 0 0 0
- 1.6148 0.7303 0.0000 H 0 0 0
- 1.6521 -1.0539 0.0000 H 0 0 0
- 2.3473 -2.0982 0.0000 H 0 0 0
- 2.8591 -0.5049 0.0000 H 0 0 0
- 3.7002 0.5586 0.0000 H 0 0 0
- 2.6367 1.3997 0.0000 H 0 0 0
- 3.6990 1.8319 0.0000 H 0 0 0
- 3.8476 2.9096 0.0000 H 0 0 0
- 4.9518 -1.9097 0.0000 H 0 0 0
- 4.2566 -0.8655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 2 0
- 4 11 1 0
- 4 12 1 0
- 4 13 2 0
- 6 14 1 0
- 7 15 2 0
- 14 16 1 0
- 14 17 2 0
- 16 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 21 23 1 0
- 22 24 1 0
- 15 17 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 12 31 1 0
- 15 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-527-62-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.1557 -0.7693 -0.0011 C 0 0 0
- 0.1090 -1.6877 -0.0009 C 0 0 0
- 0.8816 0.5893 -0.0006 C 0 0 0
- 2.4448 -1.2047 0.0041 O 0 0 0
- -1.2039 -1.2386 -0.0004 C 0 0 0
- 0.3805 -3.0608 -0.0019 N 0 0 0
- -0.4298 1.0308 -0.0005 C 0 0 0
- 2.1838 1.7374 -0.0007 Cl 0 0 0
- -1.4702 0.1186 0.0001 C 0 0 0
- -3.1133 0.6789 0.0008 Cl 0 0 0
- 3.4302 -1.5375 0.0000 H 0 0 0
- -1.9876 -1.9224 0.0000 H 0 0 0
- -0.4023 -3.7457 0.0000 H 0 0 0
- 1.3650 -3.3962 0.0000 H 0 0 0
- -0.6339 2.0507 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2893-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -1.4393 -0.8300 -0.0835 C 0 0 0
- -2.3535 0.1405 -0.2877 N 0 0 0
- -0.2273 -0.5047 0.4125 N 0 0 0
- -1.7066 -1.9879 -0.3392 O 0 0 0
- -2.0502 1.4204 0.0038 C 0 0 0
- -3.8945 -0.2528 -0.9161 Cl 0 0 0
- 0.0532 0.7974 0.6987 C 0 0 0
- 0.9477 -1.7179 0.6804 Cl 0 0 0
- -0.8593 1.7347 0.4904 N 0 0 0
- -2.9633 2.3858 -0.2012 O 0 0 0
- 1.2580 1.1314 1.1937 O 0 0 0
- 10.8099 0.4141 -0.7895 Na 0 3 0
- 2.2087 1.3949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 9 2 0
- 11 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-56-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5566 -0.2858 -0.0023 C 0 0 0
- -0.7852 -0.1408 -0.0012 C 0 0 0
- 1.4274 0.9055 -0.0012 C 0 0 0
- 1.2581 -1.8737 0.0021 Cl 0 0 0
- -1.6518 -1.3263 -0.0023 C 0 0 0
- -1.4867 1.4472 0.0016 Cl 0 0 0
- 2.7673 0.7608 -0.0023 O 0 0 0
- 0.9367 2.0165 0.0008 O 0 0 0
- -2.8574 -1.1960 -0.0013 O 0 0 0
- -1.2248 -2.2930 0.0000 H 0 0 0
- 3.8180 0.6473 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76144-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- 2.2849 -0.0266 0.0000 N 0 3 0
- 1.1358 0.8643 0.0000 N 0 0 0
- 3.5205 0.7680 0.0000 C 0 0 0
- 2.2476 -0.8739 1.1994 C 0 0 0
- 2.2476 -0.8739 -1.1994 C 0 0 0
- -0.0599 0.0110 0.0000 C 0 0 0
- -1.3130 0.8889 0.0000 C 0 0 0
- -2.5396 0.0135 0.0000 C 0 0 0
- -2.4221 -1.2043 0.0000 O 0 0 0
- -3.6531 0.5206 0.0000 O 0 0 0
- 1.1574 1.9546 0.0000 H 0 0 0
- 4.1103 -0.1492 0.0000 H 0 0 0
- 4.4377 1.3578 0.0000 H 0 0 0
- 2.9307 1.6852 0.0000 H 0 0 0
- 1.1582 -0.8259 0.0000 H 0 0 0
- 2.1996 -1.9633 0.0000 H 0 0 0
- 3.3370 -0.9219 0.0000 H 0 0 0
- 1.1582 -0.8259 0.0000 H 0 0 0
- 2.1996 -1.9633 0.0000 H 0 0 0
- 3.3370 -0.9219 0.0000 H 0 0 0
- -0.7826 -0.8057 0.0000 H 0 0 0
- 0.6698 -0.7994 0.0000 H 0 0 0
- -0.5903 1.7056 0.0000 H 0 0 0
- -2.0428 1.6992 0.0000 H 0 0 0
- -4.6455 0.9726 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 2 0
- 8 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-113124-69-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.6008 -0.2342 -0.0003 C 0 0 0
- -0.7947 -0.3135 -0.0014 C 0 0 0
- 1.2111 1.0282 0.0145 C 0 0 0
- 1.4353 -1.4534 -0.0206 C 0 0 0
- -1.5274 0.9008 0.0117 C 0 0 0
- -1.7024 -1.3369 -0.0128 N 0 0 0
- 2.6893 1.1104 0.0152 C 0 0 0
- 0.4786 2.1383 0.0282 N 0 0 0
- 2.8978 -1.3411 -0.0205 C 0 0 0
- 0.9096 -2.5498 -0.0369 O 0 0 0
- -2.9294 0.5136 0.0048 C 0 0 0
- -0.8354 2.1131 0.0267 C 0 0 0
- -2.9733 -0.8361 -0.0094 C 0 0 0
- 3.4955 -0.1322 0.0000 C 0 0 0
- 3.2392 2.1931 0.0278 O 0 0 0
- -4.1406 1.4102 0.0102 C 0 0 0
- -4.2587 -1.6312 -0.0184 C 0 0 0
- 4.8466 -0.0535 -0.0002 O 0 0 0
- -5.3598 0.5812 -0.4126 C 0 0 0
- -5.4051 -0.7090 0.4110 C 0 0 0
- 5.3384 -1.3951 -0.0163 C 0 0 0
- -1.4580 -2.3580 0.0000 H 0 0 0
- 3.4856 -2.2111 0.0000 H 0 0 0
- -1.3713 3.0160 0.0000 H 0 0 0
- -3.4254 2.1789 0.0000 H 0 0 0
- -4.8244 2.2070 0.0000 H 0 0 0
- -5.0050 -2.3698 0.0000 H 0 0 0
- -3.6091 -2.4561 0.0000 H 0 0 0
- -5.7555 1.5538 0.0000 H 0 0 0
- -6.3936 0.3977 0.0000 H 0 0 0
- -6.4226 -0.4500 0.0000 H 0 0 0
- -5.8744 -1.6483 0.0000 H 0 0 0
- 4.3526 -1.7565 0.0000 H 0 0 0
- 5.6998 -2.3809 0.0000 H 0 0 0
- 6.3242 -1.0337 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 8 12 2 0
- 9 14 2 0
- 11 13 2 0
- 19 20 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 19 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-29-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.0009 -0.7465 -0.8815 C 0 0 0
- -1.2212 0.0908 -0.6054 C 0 0 0
- 1.2392 0.0550 -0.5727 C 0 0 0
- -0.0290 -1.9981 -0.0020 C 0 0 0
- -2.2951 -0.4564 0.0722 C 0 0 0
- -1.2660 1.4071 -1.0247 C 0 0 0
- 2.1863 0.2697 -1.5562 C 0 0 0
- 1.4246 0.5801 0.6928 C 0 0 0
- 1.5409 -2.8728 -0.1478 Cl 0 0 0
- -0.2927 -1.5191 1.7161 Cl 0 0 0
- -1.3703 -3.0772 -0.5378 Cl 0 0 0
- -3.4159 0.3111 0.3261 C 0 0 0
- -2.3866 2.1758 -0.7713 C 0 0 0
- 3.3221 1.0052 -1.2736 C 0 0 0
- 2.5597 1.3156 0.9765 C 0 0 0
- -3.4634 1.6274 -0.0980 C 0 0 0
- 3.5107 1.5264 -0.0062 C 0 0 0
- -4.8711 2.5921 0.2205 Cl 0 0 0
- 4.9369 2.4502 0.3494 Cl 0 0 0
- 0.8746 -1.2353 0.0000 H 0 0 0
- -2.3597 -1.4555 0.0000 H 0 0 0
- -0.3883 1.8886 0.0000 H 0 0 0
- 2.5750 -0.6529 0.0000 H 0 0 0
- 0.6384 1.1999 0.0000 H 0 0 0
- -4.2929 -0.1717 0.0000 H 0 0 0
- -2.3215 3.1748 0.0000 H 0 0 0
- 4.1058 0.3822 0.0000 H 0 0 0
- 2.1730 2.2391 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 12 16 1 0
- 14 17 2 0
- 16 18 1 0
- 17 19 1 0
- 13 16 2 0
- 15 17 1 0
- 1 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23255-93-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 59 1 V2000
- -4.4454 1.7934 -0.8039 C 0 0 0
- -4.4203 0.4664 -0.3209 C 0 0 0
- -3.4640 2.2825 -1.6364 C 0 0 0
- -5.8107 2.7917 -0.2616 S 0 0 0
- -3.3295 -0.3469 -0.6973 C 0 0 0
- -5.4767 -0.0656 0.5252 C 0 0 0
- -2.4113 1.4613 -2.0022 C 0 0 0
- -3.5349 3.6995 -2.1447 C 0 0 0
- -6.7619 2.0296 1.0299 C 0 0 0
- -2.3485 0.1610 -1.5305 C 0 0 0
- -3.2411 -1.6533 -0.2322 N 0 0 0
- -6.4766 0.6722 1.2893 C 0 0 0
- -5.5340 -1.2799 0.6056 O 0 0 0
- -2.4081 3.9616 -2.9834 O 0 0 0
- -7.7210 2.7180 1.7415 C 0 0 0
- -2.1082 -2.4953 -0.6243 C 0 0 0
- -7.1948 0.0393 2.3161 C 0 0 0
- -8.4146 2.0624 2.7417 C 0 0 0
- -2.2519 -3.8757 0.0196 C 0 0 0
- -8.1387 0.7304 3.0179 C 0 0 0
- -1.1159 -4.7200 -0.3735 N 0 0 0
- -0.4924 -5.1943 0.8692 C 0 0 0
- -1.6790 -5.9014 -1.0408 C 0 0 0
- 0.9837 -4.7921 0.8849 C 0 0 0
- -1.1179 -6.0009 -2.4607 C 0 0 0
- 14.5498 0.8767 0.5224 S 0 0 0
- 13.7783 -0.4505 -0.4440 C 0 0 0
- 15.4889 1.5338 -0.4789 O 0 0 0
- 13.6258 1.9154 0.8164 O 0 0 0
- 15.4427 0.3612 1.5003 O 0 0 0
- -1.5445 1.9107 0.0000 H 0 0 0
- -3.6991 4.6619 0.0000 H 0 0 0
- -4.5054 3.5928 0.0000 H 0 0 0
- -1.5024 -0.3262 0.0000 H 0 0 0
- -4.0981 -2.1211 0.0000 H 0 0 0
- -1.4571 4.1828 0.0000 H 0 0 0
- -7.7867 3.6921 0.0000 H 0 0 0
- -1.1705 -2.7672 0.0000 H 0 0 0
- -1.6742 -1.6207 0.0000 H 0 0 0
- -7.1507 -0.9361 0.0000 H 0 0 0
- -9.3460 2.3553 0.0000 H 0 0 0
- -3.1896 -3.6038 0.0000 H 0 0 0
- -2.6859 -4.7503 0.0000 H 0 0 0
- -8.9599 0.2023 0.0000 H 0 0 0
- -1.2377 -5.8250 0.0000 H 0 0 0
- -0.0379 -6.0584 0.0000 H 0 0 0
- -2.5945 -5.5620 0.0000 H 0 0 0
- -1.9350 -6.8436 0.0000 H 0 0 0
- 1.2404 -5.7341 0.0000 H 0 0 0
- 1.9257 -4.5354 0.0000 H 0 0 0
- 0.7270 -3.8501 0.0000 H 0 0 0
- -1.2884 -6.9623 0.0000 H 0 0 0
- -0.1565 -6.1714 0.0000 H 0 0 0
- -0.9474 -5.0395 0.0000 H 0 0 0
- 12.9342 0.0402 0.0000 H 0 0 0
- 13.2876 -1.2946 0.0000 H 0 0 0
- 14.6224 -0.9412 0.0000 H 0 0 0
- 16.2889 2.0936 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 2 0
- 19 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 26 27 1 0
- 26 28 1 0
- 26 29 2 0
- 26 30 2 0
- 7 10 1 0
- 9 12 2 0
- 18 20 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 11 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 27 55 1 0
- 27 56 1 0
- 27 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-492-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.8088 0.8512 -0.0028 C 0 0 0
- -1.3363 -0.4652 -0.0016 C 0 0 0
- 0.5106 1.0425 -0.0021 N 0 0 0
- -1.6979 1.9432 0.0012 C 0 0 0
- -0.4462 -1.5623 -0.0002 C 0 0 0
- -2.7260 -0.6555 -0.0014 C 0 0 0
- 1.3567 0.0289 -0.0003 C 0 0 0
- -3.0398 1.7209 0.0061 C 0 0 0
- 0.9112 -1.2978 0.0000 C 0 0 0
- -0.9091 -2.8368 0.0014 O 0 0 0
- -3.5544 0.4255 -0.0024 C 0 0 0
- 2.8133 0.3026 0.0004 C 0 0 0
- 3.2596 1.5731 -0.0008 O 0 0 0
- 3.6041 -0.6186 0.0020 O 0 0 0
- -1.3309 2.9133 0.0000 H 0 0 0
- -3.1207 -1.6146 0.0000 H 0 0 0
- -3.6907 2.5284 0.0000 H 0 0 0
- 1.5948 -2.0778 0.0000 H 0 0 0
- -1.2632 -3.8117 0.0000 H 0 0 0
- -4.5818 0.2830 0.0000 H 0 0 0
- 3.6034 2.5517 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 9 2 0
- 8 11 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134998-78-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 50 1 V2000
- -0.9434 0.4583 -0.0575 C 0 0 0
- -1.1923 -0.9194 0.1420 C 0 0 0
- 0.3865 0.9310 -0.1380 C 0 0 0
- -2.0099 1.3746 -0.1723 C 0 0 0
- -0.1111 -1.8219 0.2606 C 0 0 0
- -2.5133 -1.4089 0.2253 C 0 0 0
- 1.5026 -0.0045 -0.0152 C 0 0 0
- 0.6227 2.2957 -0.3357 C 0 0 0
- -3.3999 0.8951 -0.0831 C 0 0 0
- -1.7400 2.7251 -0.3684 C 0 0 0
- 1.2628 -1.3307 0.1772 C 0 0 0
- -0.3674 -3.1834 0.4581 C 0 0 0
- -3.6481 -0.4777 0.1038 C 0 0 0
- -2.7328 -2.7681 0.4221 C 0 0 0
- 2.7814 0.4501 -0.0925 O 0 0 0
- -0.4334 3.1731 -0.4512 C 0 0 0
- 2.0134 2.7993 -0.4208 N 0 3 0
- -4.4711 1.7818 -0.1929 C 0 0 0
- 2.3024 -2.1990 0.2914 O 0 0 0
- -1.6644 -3.6407 0.5364 C 0 0 0
- -4.9630 -0.9365 0.1824 C 0 0 0
- 3.4745 0.6980 1.0299 C 0 0 0
- 2.4196 3.6073 0.3952 O 0 0 0
- 2.7506 2.4055 -1.3068 O 0 5 0
- -5.7622 1.3095 -0.1059 C 0 0 0
- 2.8047 -2.7923 -0.8028 C 0 0 0
- -6.0072 -0.0455 0.0654 C 0 0 0
- 4.9297 1.0811 0.9477 C 0 0 0
- 2.9300 0.6138 2.1095 O 0 0 0
- 3.9572 -3.7550 -0.6762 C 0 0 0
- 2.3313 -2.5538 -1.8928 O 0 0 0
- -2.5196 3.4073 0.0000 H 0 0 0
- 0.4189 -3.8578 0.0000 H 0 0 0
- -3.7013 -3.1359 0.0000 H 0 0 0
- -0.2464 4.1920 0.0000 H 0 0 0
- -4.2955 2.8028 0.0000 H 0 0 0
- -1.8427 -4.6612 0.0000 H 0 0 0
- -5.1539 -1.9547 0.0000 H 0 0 0
- -6.5549 1.9765 0.0000 H 0 0 0
- -6.9829 -0.3937 0.0000 H 0 0 0
- 5.1934 0.0793 0.0000 H 0 0 0
- 5.9315 1.3448 0.0000 H 0 0 0
- 4.6660 2.0829 0.0000 H 0 0 0
- 3.2931 -4.5501 0.0000 H 0 0 0
- 4.7523 -4.4191 0.0000 H 0 0 0
- 4.6213 -2.9599 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 15 22 1 0
- 17 23 2 0
- 17 24 1 0
- 18 25 2 0
- 19 26 1 0
- 21 27 2 0
- 22 28 1 0
- 22 29 2 0
- 26 30 1 0
- 26 31 2 0
- 7 11 2 0
- 9 13 2 0
- 10 16 2 0
- 14 20 1 0
- 25 27 1 0
- 10 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 20 37 1 0
- 21 38 1 0
- 25 39 1 0
- 27 40 1 0
- 28 41 1 0
- 28 42 1 0
- 28 43 1 0
- 30 44 1 0
- 30 45 1 0
- 30 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1794-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.9988 -0.0266 -0.0018 N 0 3 0
- -0.1451 -0.9418 -0.0017 C 0 0 0
- 0.8153 1.1775 -0.0004 O 0 0 0
- 2.1333 -0.4697 0.0018 O 0 5 0
- -1.6764 0.0101 0.0006 Cl 0 0 0
- -0.7694 -1.7308 0.0000 H 0 0 0
- 0.5682 -1.6513 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5329-15-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -1.6424 -0.6272 0.0860 N 0 0 0
- -2.7330 0.1592 -0.0064 C 0 0 0
- -0.3607 -0.0563 0.0521 C 0 0 0
- -4.1026 -0.4610 -0.1095 C 0 0 0
- -2.6122 1.3662 -0.0066 O 0 0 0
- 0.7658 -0.8746 0.0147 C 0 0 0
- -0.2154 1.3231 0.0500 C 0 0 0
- 0.6250 -2.2270 0.0111 O 0 0 0
- 2.0295 -0.3090 -0.0191 C 0 0 0
- 1.0457 1.8860 0.0162 C 0 0 0
- 1.9423 -2.7793 -0.0303 C 0 0 0
- 2.1709 1.0722 -0.0158 C 0 0 0
- 3.4468 1.6443 -0.0500 N 0 0 0
- -1.7493 -1.6630 0.0000 H 0 0 0
- -4.5322 0.4876 0.0000 H 0 0 0
- -5.0512 -0.8906 0.0000 H 0 0 0
- -3.6730 -1.4096 0.0000 H 0 0 0
- -1.0581 1.9349 0.0000 H 0 0 0
- 2.8734 -0.9191 0.0000 H 0 0 0
- 1.1529 2.9218 0.0000 H 0 0 0
- 1.5397 -3.7396 0.0000 H 0 0 0
- 2.9026 -3.1819 0.0000 H 0 0 0
- 2.3449 -1.8190 0.0000 H 0 0 0
- 4.2909 1.0345 0.0000 H 0 0 0
- 3.5529 2.6802 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 1 0
- 12 9 2 0
- 13 12 1 0
- 10 12 1 0
- 1 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109621-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 2.0941 0.2618 -0.2440 C 0 0 1
- 0.8818 1.0628 0.2351 C 0 0 0
- 3.2914 1.1720 -0.3401 C 0 0 0
- 2.3749 -0.8155 0.7082 N 0 0 0
- -0.5593 -0.0327 0.3509 S 0 0 0
- 4.5251 0.6812 -0.1432 O 0 0 0
- 3.1408 2.3435 -0.5945 O 0 0 0
- 2.9320 -1.9655 0.2797 C 0 0 0
- -1.8092 1.1504 0.9240 C 0 0 0
- 5.6787 1.5581 -0.2358 C 0 0 0
- 3.2208 -3.0737 1.2593 C 0 0 0
- 3.2008 -2.1085 -0.8943 O 0 0 0
- -3.1491 0.4325 1.0983 C 0 0 0
- -4.2033 1.4305 1.5817 C 0 0 0
- -3.7114 -0.3323 -0.6233 Br 0 0 0
- 1.2472 -0.3440 0.0000 H 0 0 0
- 1.5496 1.8618 0.0000 H 0 0 0
- 0.1627 1.8159 0.0000 H 0 0 0
- 1.3978 -1.1755 0.0000 H 0 0 0
- -1.0167 1.8259 0.0000 H 0 0 0
- -2.3962 2.0105 0.0000 H 0 0 0
- 6.3088 0.7291 0.0000 H 0 0 0
- 6.5077 2.1882 0.0000 H 0 0 0
- 5.0486 2.3871 0.0000 H 0 0 0
- 2.2132 -3.3363 0.0000 H 0 0 0
- 3.4834 -4.0813 0.0000 H 0 0 0
- 4.2284 -2.8111 0.0000 H 0 0 0
- -2.4669 -0.3542 0.0000 H 0 0 0
- -3.4874 2.1867 0.0000 H 0 0 0
- -4.9595 2.1464 0.0000 H 0 0 0
- -4.9192 0.6743 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 8 12 2 0
- 9 13 1 0
- 13 14 1 0
- 13 15 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 4 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33213-65-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.6000 -0.8649 -0.7925 C 0 0 1
- -0.9125 -0.5714 -0.6448 C 0 0 0
- 1.0839 0.6283 -0.9953 C 0 0 0
- 1.1661 -1.1043 0.6050 C 0 0 0
- 1.0587 -2.0538 -2.0681 Cl 0 0 0
- -0.9377 0.5837 0.3720 C 0 0 0
- -1.7243 -1.7363 -0.1362 C 0 0 0
- 0.5217 1.1069 0.3946 C 0 0 1
- 2.8791 0.7629 -1.0954 Cl 0 0 0
- 0.2648 1.4351 -2.3842 Cl 0 0 0
- 1.1681 0.0257 1.2910 C 0 0 0
- 1.7252 -2.6345 1.2045 Cl 0 0 0
- -1.9827 1.5760 0.0349 C 0 0 0
- -3.0992 -1.3975 -0.2304 O 0 0 0
- 0.7920 2.8319 0.8442 Cl 0 0 0
- 1.7814 0.2530 2.8991 Cl 0 0 0
- -3.2342 0.9852 -0.3632 O 0 0 0
- -3.4357 -0.1848 0.6094 S 0 0 0
- -4.8542 -0.2677 0.6052 O 0 0 0
- -1.9061 -0.2712 0.0000 H 0 0 0
- -1.8869 0.1637 0.0000 H 0 0 0
- -2.0938 -2.7063 0.0000 H 0 0 0
- -0.8067 -2.2214 0.0000 H 0 0 0
- -1.1808 2.2350 0.0000 H 0 0 0
- -2.5380 2.4529 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 2 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 18 19 2 0
- 6 8 1 0
- 8 11 1 0
- 17 18 1 0
- 2 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2564-06-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 2.0073 -0.0134 0.4076 C 0 0 0
- 0.6074 -0.0317 0.9653 C 0 0 0
- 2.6494 1.1916 0.1909 C 0 0 0
- 2.6513 -1.2016 0.1180 C 0 0 0
- -0.3577 0.0044 -0.1364 N 0 0 0
- 3.9333 1.2084 -0.3206 C 0 0 0
- 3.9356 -1.1848 -0.3936 C 0 0 0
- -1.6797 -0.0041 0.1253 C 0 0 0
- 4.5754 0.0200 -0.6156 C 0 0 0
- -2.6724 0.0330 -1.0080 C 0 0 0
- -2.0706 -0.0417 1.2728 O 0 0 0
- -4.3473 0.0112 -0.3408 Cl 0 0 0
- 0.0885 -0.8892 0.0000 H 0 0 0
- 1.1053 -0.9016 0.0000 H 0 0 0
- 2.1280 2.0476 0.0000 H 0 0 0
- 2.1442 -2.0661 0.0000 H 0 0 0
- -0.3422 1.0066 0.0000 H 0 0 0
- 4.4410 2.0726 0.0000 H 0 0 0
- 4.4577 -2.0404 0.0000 H 0 0 0
- 5.5777 0.0236 0.0000 H 0 0 0
- -2.1535 0.8905 0.0000 H 0 0 0
- -3.1703 0.9029 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 10 12 1 0
- 7 9 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-580-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.3219 0.5910 -0.0027 C 0 0 0
- -0.5507 -0.8081 -0.0009 C 0 0 0
- 0.9987 1.0684 -0.0023 C 0 0 0
- -1.3592 1.4351 0.0007 N 0 0 0
- 0.5396 -1.6934 0.0018 C 0 0 0
- -1.8758 -1.2816 -0.0013 C 0 0 0
- 2.0448 0.1744 -0.0001 C 0 0 0
- -2.5948 0.9964 0.0057 C 0 0 0
- 1.8086 -1.2041 0.0026 C 0 0 0
- -2.8888 -0.3649 -0.0035 C 0 0 0
- 3.3222 0.6363 -0.0001 O 0 0 0
- 1.1847 2.0899 0.0000 H 0 0 0
- 0.3773 -2.7189 0.0000 H 0 0 0
- -2.0782 -2.3000 0.0000 H 0 0 0
- -3.3746 1.6819 0.0000 H 0 0 0
- 2.6119 -1.8620 0.0000 H 0 0 0
- -3.8772 -0.6829 0.0000 H 0 0 0
- 4.2986 0.9894 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-577-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.3927 0.7328 0.0705 C 0 0 0
- 0.3230 -0.6583 -0.0533 C 0 0 0
- 1.6412 1.3620 0.1143 C 0 0 0
- -0.8411 1.5313 0.1482 C 0 0 0
- 1.4836 -1.3990 -0.1312 C 0 0 0
- -0.9931 -1.3340 -0.1001 N 0 3 0
- 2.7924 0.6076 0.0352 C 0 0 0
- -1.6224 1.5875 1.4356 C 0 0 0
- -1.2289 2.1439 -0.8236 O 0 0 0
- 2.7150 -0.7691 -0.0872 C 0 0 0
- -1.2054 -2.3033 0.6062 O 0 0 0
- -1.8637 -0.9207 -0.8449 O 0 5 0
- 1.6997 2.3937 0.0000 H 0 0 0
- 1.4344 -2.4312 0.0000 H 0 0 0
- 3.7150 1.0731 0.0000 H 0 0 0
- -1.5483 2.6182 0.0000 H 0 0 0
- -2.6531 1.6616 0.0000 H 0 0 0
- -1.6965 0.5568 0.0000 H 0 0 0
- 3.5810 -1.3329 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -1.2671 0.8122 0.0925 S 0 0 0
- -2.1445 -0.4512 -0.5212 N 0 0 0
- -1.4070 1.8708 -0.8450 O 0 0 0
- -1.6057 0.8839 1.4707 O 0 0 0
- 0.4319 0.3481 0.0405 C 0 0 0
- -2.1856 -1.7297 0.1929 C 0 0 0
- 1.1501 0.4850 -1.1324 C 0 0 0
- 1.0480 -0.1478 1.1745 C 0 0 0
- -3.0590 -2.7186 -0.5818 C 0 0 0
- 2.4832 0.1208 -1.1732 C 0 0 0
- 2.3807 -0.5118 1.1337 C 0 0 0
- 3.0977 -0.3803 -0.0411 C 0 0 0
- 4.5507 -0.7772 -0.0856 C 0 0 0
- -3.0553 -0.1498 0.0000 H 0 0 0
- -1.6807 -2.5455 0.0000 H 0 0 0
- -1.2587 -1.4821 0.0000 H 0 0 0
- 1.1877 1.4436 0.0000 H 0 0 0
- 0.6117 -1.0022 0.0000 H 0 0 0
- -3.7781 -2.0835 0.0000 H 0 0 0
- -3.6941 -3.4377 0.0000 H 0 0 0
- -2.3399 -3.3537 0.0000 H 0 0 0
- 2.9223 0.9738 0.0000 H 0 0 0
- 2.3398 -1.4703 0.0000 H 0 0 0
- 4.2979 -1.7027 0.0000 H 0 0 0
- 5.4762 -1.0300 0.0000 H 0 0 0
- 4.8035 0.1483 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 2 0
- 5 1 1 0
- 6 2 1 0
- 7 5 2 0
- 8 5 1 0
- 9 6 1 0
- 10 7 1 0
- 11 8 2 0
- 12 10 2 0
- 13 12 1 0
- 11 12 1 0
- 2 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129286-37-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.0804 -0.0520 -0.0068 C 0 0 0
- 0.4616 -1.3512 -0.0048 C 0 0 0
- 1.0354 0.9085 -0.0035 C 0 0 0
- -1.4851 0.1079 -0.0059 C 0 0 0
- 1.9325 -1.2268 -0.0012 C 0 0 0
- -0.3905 -2.4652 -0.0055 C 0 0 0
- 2.2083 0.1445 0.0003 C 0 0 0
- 1.1885 2.2868 -0.0030 C 0 0 0
- -2.3184 -1.0371 0.0023 C 0 0 0
- -2.0678 1.3844 -0.0126 C 0 0 0
- 3.0217 -2.0826 0.0011 C 0 0 0
- -1.7401 -2.3208 -0.0049 C 0 0 0
- 3.4964 0.6854 0.0042 C 0 0 0
- 2.4665 2.8414 0.0020 C 0 0 0
- -3.7135 -0.8732 0.0084 C 0 0 0
- -3.4238 1.5087 -0.0074 C 0 0 0
- 4.3140 -1.5594 0.0052 C 0 0 0
- 3.6081 2.0861 0.0042 C 0 0 0
- 4.5745 -0.2162 0.0070 C 0 0 0
- -4.2465 0.3821 0.0040 C 0 0 0
- -5.5886 0.5366 0.0108 F 0 0 0
- 0.0234 -3.4291 0.0000 H 0 0 0
- 0.3445 2.9099 0.0000 H 0 0 0
- -1.4608 2.2400 0.0000 H 0 0 0
- 2.8746 -3.1213 0.0000 H 0 0 0
- -2.3557 -3.1703 0.0000 H 0 0 0
- 2.5582 3.8865 0.0000 H 0 0 0
- -4.3426 -1.7127 0.0000 H 0 0 0
- -3.8557 2.4647 0.0000 H 0 0 0
- 5.1239 -2.2262 0.0000 H 0 0 0
- 4.5512 2.5456 0.0000 H 0 0 0
- 5.5630 0.1350 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 13 18 2 0
- 13 19 1 0
- 15 20 2 0
- 20 21 1 0
- 5 7 1 0
- 9 12 1 0
- 14 18 1 0
- 16 20 1 0
- 17 19 2 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114656-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.5967 0.1264 -0.0040 C 0 0 0
- -0.7411 -0.2938 -0.0030 C 0 0 0
- 0.8814 1.5004 -0.0018 C 0 0 0
- 1.7008 -0.8491 -0.0013 C 0 0 0
- -1.7412 0.7035 0.0004 C 0 0 0
- -1.3499 -1.5202 -0.0051 N 0 0 0
- -0.0991 2.3936 0.0017 N 0 0 0
- 2.2978 1.9450 -0.0028 C 0 0 0
- 3.1054 -0.3671 -0.0020 C 0 0 0
- 1.4636 -2.0401 0.0018 O 0 0 0
- -3.0307 -0.0061 0.0005 C 0 0 0
- -1.3691 2.0426 0.0028 C 0 0 0
- -2.7276 -1.3769 -0.0029 C 0 0 0
- 3.3754 0.9594 -0.0057 C 0 0 0
- 2.5613 3.1325 -0.0010 O 0 0 0
- 4.1400 -1.2755 0.0006 N 0 0 0
- -4.3592 0.4147 0.0036 C 0 0 0
- -2.4340 3.1089 0.0064 C 0 0 0
- -3.7653 -2.3030 -0.0033 C 0 0 0
- 5.5836 -1.5250 0.0017 C 0 0 0
- 4.5742 -2.6747 0.0103 C 0 0 0
- -5.3731 -0.5188 0.0032 C 0 0 0
- -5.0752 -1.8729 -0.0002 C 0 0 0
- -0.8459 -2.4358 0.0000 H 0 0 0
- 4.3693 1.2828 0.0000 H 0 0 0
- -4.5860 1.4350 0.0000 H 0 0 0
- -1.6945 3.8475 0.0000 H 0 0 0
- -3.1726 3.8484 0.0000 H 0 0 0
- -3.1735 2.3703 0.0000 H 0 0 0
- -3.5518 -3.3261 0.0000 H 0 0 0
- 6.4814 -2.0600 0.0000 H 0 0 0
- 5.9462 -0.5447 0.0000 H 0 0 0
- 3.6491 -3.1611 0.0000 H 0 0 0
- 5.2209 -3.4958 0.0000 H 0 0 0
- -6.3700 -0.2049 0.0000 H 0 0 0
- -5.8505 -2.5738 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 16 20 1 0
- 16 21 1 0
- 17 22 2 0
- 19 23 2 0
- 7 12 2 0
- 9 14 2 0
- 11 13 2 0
- 20 21 1 0
- 22 23 1 0
- 6 24 1 0
- 14 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-99-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.1508 -0.0924 0.3675 C 0 0 0
- -1.1817 0.4606 -0.0680 C 0 0 0
- 0.1486 -0.2929 1.8843 C 0 0 0
- 0.4404 -1.6744 -0.4474 Cl 0 0 0
- 1.4581 1.0644 -0.0839 Cl 0 0 0
- -2.3057 -0.2351 0.1655 O 0 0 0
- -1.2383 1.5300 -0.6274 O 0 0 0
- -0.8881 -0.2815 0.0000 H 0 0 0
- 0.1372 -1.3296 0.0000 H 0 0 0
- 1.1853 -0.3043 0.0000 H 0 0 0
- -3.1872 -0.7807 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91687-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -2.2550 -1.3932 -0.1489 C 0 0 0
- -3.3791 -0.3896 -0.1505 C 0 0 0
- -0.9755 -0.9718 -0.1063 N 0 0 0
- -2.5017 -2.5802 -0.1808 O 0 0 0
- -4.2704 -0.6202 1.0716 C 0 0 0
- -2.6344 1.4287 -0.0846 Br 0 0 0
- 0.1174 -1.9475 -0.1048 C 0 0 0
- 1.4377 -1.2227 -0.0533 C 0 0 0
- 2.0136 -0.9216 1.1671 C 0 0 0
- 2.0752 -0.8644 -1.2262 C 0 0 0
- 3.2245 -0.2574 1.2149 C 0 0 0
- 3.2865 -0.2000 -1.1796 C 0 0 0
- 3.8606 0.1062 0.0411 C 0 0 0
- 5.3818 0.9406 0.1004 Cl 0 0 0
- -4.0519 0.3812 0.0000 H 0 0 0
- -0.7669 0.0298 0.0000 H 0 0 0
- -4.5267 0.3703 0.0000 H 0 0 0
- -5.2609 -0.8765 0.0000 H 0 0 0
- -4.0141 -1.6107 0.0000 H 0 0 0
- -0.6459 -2.6288 0.0000 H 0 0 0
- 0.7080 -2.7829 0.0000 H 0 0 0
- 2.4966 -1.8235 0.0000 H 0 0 0
- 1.5786 0.0300 0.0000 H 0 0 0
- 3.7244 -1.1500 0.0000 H 0 0 0
- 2.7998 0.6999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 9 11 2 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 12 13 2 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85723-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 65 1 V2000
- 3.6088 -1.0344 0.3967 C 0 0 0
- 2.7994 -1.7565 -0.4779 C 0 0 0
- 3.4159 0.3593 0.8167 C 0 0 0
- 4.6483 -1.9015 0.8079 C 0 0 0
- 3.3338 -2.9892 -0.5865 N 0 0 0
- 1.6603 -1.2949 -1.1152 N 0 0 0
- 4.0555 1.4544 0.0589 C 0 0 0
- 2.7292 0.6123 1.7890 O 0 0 0
- 4.4726 -3.0526 0.2234 N 0 0 0
- 5.7653 -1.5539 1.7580 C 0 0 0
- 2.8050 -4.0820 -1.4066 C 0 0 0
- 0.4918 -1.2343 -0.4464 C 0 0 0
- 3.9348 2.7771 0.4979 C 0 0 0
- 4.7885 1.1738 -1.0960 C 0 0 0
- -0.7281 -0.6514 -1.1122 C 0 0 0
- 0.4219 -1.6488 0.6911 O 0 0 0
- 4.5370 3.7957 -0.2172 C 0 0 0
- 3.2316 3.0583 1.6167 F 0 0 0
- 5.3834 2.2005 -1.7984 C 0 0 0
- -1.8638 -0.6993 -0.1817 N 0 0 0
- 5.2563 3.5082 -1.3624 C 0 0 0
- -3.0135 -0.1196 -0.8888 C 0 0 0
- -4.2383 -0.1383 0.0280 C 0 0 0
- -5.4358 0.4654 -0.7085 C 0 0 0
- -6.6118 0.4475 0.1718 N 0 0 0
- -7.7179 1.0364 -0.5905 C 0 0 0
- -6.9433 -0.9624 0.4036 C 0 0 0
- -8.9875 1.0460 0.2632 C 0 0 0
- -7.3584 2.4701 -0.9858 C 0 0 0
- -8.1702 -1.0630 1.3120 C 0 0 0
- -9.3637 -0.3948 0.6224 C 0 0 0
- 1.8600 -0.3950 0.0000 H 0 0 0
- 6.0392 -2.4341 0.0000 H 0 0 0
- 6.6455 -1.2800 0.0000 H 0 0 0
- 5.4914 -0.6737 0.0000 H 0 0 0
- 1.9752 -3.6805 0.0000 H 0 0 0
- 2.4035 -4.9118 0.0000 H 0 0 0
- 3.6348 -4.4835 0.0000 H 0 0 0
- 5.0959 0.3048 0.0000 H 0 0 0
- -0.0625 -0.0136 0.0000 H 0 0 0
- -1.0897 0.1965 0.0000 H 0 0 0
- 4.2398 4.6683 0.0000 H 0 0 0
- 6.2842 2.0046 0.0000 H 0 0 0
- -2.0582 -1.6004 0.0000 H 0 0 0
- 5.9936 4.0614 0.0000 H 0 0 0
- -2.3334 0.5026 0.0000 H 0 0 0
- -3.3538 0.7371 0.0000 H 0 0 0
- -4.9184 -0.7605 0.0000 H 0 0 0
- -3.8980 -0.9950 0.0000 H 0 0 0
- -4.7557 1.0876 0.0000 H 0 0 0
- -5.7761 1.3221 0.0000 H 0 0 0
- -7.9445 0.1429 0.0000 H 0 0 0
- -6.9640 -1.8840 0.0000 H 0 0 0
- -6.0289 -1.0789 0.0000 H 0 0 0
- -8.9045 1.9641 0.0000 H 0 0 0
- -9.8956 1.2045 0.0000 H 0 0 0
- -6.4643 2.2459 0.0000 H 0 0 0
- -7.1342 3.3642 0.0000 H 0 0 0
- -8.2525 2.6943 0.0000 H 0 0 0
- -8.8545 -1.6806 0.0000 H 0 0 0
- -7.8044 -1.9091 0.0000 H 0 0 0
- -10.2326 -0.0870 0.0000 H 0 0 0
- -9.7441 -1.2345 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 2 0
- 12 15 1 0
- 12 16 2 0
- 13 17 2 0
- 13 18 1 0
- 14 19 1 0
- 15 20 1 0
- 17 21 1 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 1 0
- 26 28 1 0
- 26 29 1 0
- 27 30 1 0
- 28 31 1 0
- 5 9 1 0
- 19 21 2 0
- 30 31 1 0
- 6 32 1 0
- 10 33 1 0
- 10 34 1 0
- 10 35 1 0
- 11 36 1 0
- 11 37 1 0
- 11 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 17 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 26 52 1 0
- 27 53 1 0
- 27 54 1 0
- 28 55 1 0
- 28 56 1 0
- 29 57 1 0
- 29 58 1 0
- 29 59 1 0
- 30 60 1 0
- 30 61 1 0
- 31 62 1 0
- 31 63 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141511-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.7480 0.6403 -0.0339 C 0 0 0
- -1.5615 -0.4803 0.1074 C 0 0 0
- 0.7247 0.4689 -0.0156 C 0 0 0
- -1.3204 1.8971 -0.1952 C 0 0 0
- -2.9418 -0.3469 0.0853 C 0 0 0
- -0.9414 -1.8393 0.2919 C 0 0 0
- 1.2588 -0.7984 -0.2466 C 0 0 0
- 1.5673 1.5480 0.2276 C 0 0 0
- -2.6928 2.0190 -0.2147 C 0 0 0
- -3.5064 0.9009 -0.0679 C 0 0 0
- -3.7678 -1.5990 0.2244 C 0 0 0
- 0.3426 -1.9591 -0.5243 C 0 0 0
- 2.6272 -0.9767 -0.2258 C 0 0 0
- 2.9352 1.3577 0.2432 C 0 0 0
- -4.9976 1.1171 -0.0897 C 0 0 0
- -5.2052 -1.2551 0.6092 C 0 0 0
- 3.4624 0.0985 0.0183 C 0 0 0
- -5.7269 -0.1953 -0.3683 C 0 0 0
- 4.9292 -0.0993 0.0396 N 0 3 0
- 5.6680 0.8449 0.2541 O 0 0 0
- 5.3973 -1.2064 -0.1576 O 0 5 0
- -0.7219 2.7425 0.0000 H 0 0 0
- -1.9439 -2.0999 0.0000 H 0 0 0
- -0.8579 -2.8717 0.0000 H 0 0 0
- 1.1785 2.5080 0.0000 H 0 0 0
- -3.1214 2.9620 0.0000 H 0 0 0
- -4.1239 -2.5716 0.0000 H 0 0 0
- -2.8430 -2.0654 0.0000 H 0 0 0
- 0.0516 -2.9532 0.0000 H 0 0 0
- 1.2630 -2.4342 0.0000 H 0 0 0
- 3.0214 -1.9345 0.0000 H 0 0 0
- 3.5672 2.1783 0.0000 H 0 0 0
- -4.7263 2.1167 0.0000 H 0 0 0
- -5.9571 1.5072 0.0000 H 0 0 0
- -6.2145 -1.4879 0.0000 H 0 0 0
- -5.2094 -2.2909 0.0000 H 0 0 0
- -6.5129 0.4793 0.0000 H 0 0 0
- -6.5455 -0.8299 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 1 0
- 13 17 2 0
- 15 18 1 0
- 17 19 1 0
- 19 20 2 0
- 19 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108618-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -1.5756 -0.2950 -0.0016 C 0 0 0
- -2.5984 0.6538 0.0001 C 0 0 0
- -0.1665 0.1374 -0.0002 C 0 0 0
- -1.8908 -1.6571 0.0011 C 0 0 0
- -3.9274 0.2356 -0.0008 C 0 0 0
- 0.8166 -0.7774 -0.0019 C 0 0 0
- -3.2103 -2.0633 0.0056 C 0 0 0
- -4.2272 -1.1295 -0.0034 C 0 0 0
- -4.9839 1.2023 0.0005 C 0 0 0
- 2.2249 -0.3452 -0.0005 C 0 0 0
- -5.8220 1.9691 0.0015 N 0 0 0
- 3.2497 -1.2960 -0.0022 C 0 0 0
- 2.5401 1.0171 -0.0031 C 0 0 0
- 4.5654 -0.8879 -0.0008 C 0 0 0
- 3.8578 1.4172 -0.0018 C 0 0 0
- 4.8748 0.4679 0.0023 C 0 0 0
- 6.2083 0.8772 0.0042 N 0 0 0
- -2.3687 1.6738 0.0000 H 0 0 0
- 0.0676 1.1564 0.0000 H 0 0 0
- -1.1256 -2.3696 0.0000 H 0 0 0
- 0.5825 -1.7964 0.0000 H 0 0 0
- -3.4406 -3.0832 0.0000 H 0 0 0
- -5.2242 -1.4444 0.0000 H 0 0 0
- 3.0179 -2.3155 0.0000 H 0 0 0
- 1.7763 1.7311 0.0000 H 0 0 0
- 5.3324 -1.5984 0.0000 H 0 0 0
- 4.0942 2.4357 0.0000 H 0 0 0
- 6.9738 0.1650 0.0000 H 0 0 0
- 6.4424 1.8962 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 3 0
- 10 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 16 17 1 0
- 7 8 2 0
- 15 16 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-30039-44-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.0896 -0.5452 -0.3862 C 0 0 0
- 0.7296 -1.4840 0.2130 C 0 0 0
- 0.4338 0.6652 -0.8000 C 0 0 0
- -1.5520 -0.8442 -0.5938 C 0 0 0
- 2.0721 -1.2121 0.3981 C 0 0 0
- 1.7766 0.9372 -0.6148 C 0 0 0
- -2.3522 0.1389 0.1145 O 0 0 0
- 2.5956 -0.0013 -0.0158 C 0 0 0
- -3.6921 0.0704 0.0716 C 0 0 0
- 4.0334 0.2897 0.1820 N 0 3 0
- -4.5226 1.0907 0.8066 C 0 0 0
- -4.2323 -0.8092 -0.5564 O 0 0 0
- 4.4946 1.3564 -0.1827 O 0 0 0
- 4.7552 -0.5375 0.7095 O 0 5 0
- -6.0073 0.7872 0.5959 C 0 0 0
- 0.4122 -2.4207 0.0000 H 0 0 0
- -0.1891 1.4335 0.0000 H 0 0 0
- -2.4090 -1.3379 0.0000 H 0 0 0
- -1.2016 -1.7691 0.0000 H 0 0 0
- 2.6950 -1.9804 0.0000 H 0 0 0
- 2.0940 1.8739 0.0000 H 0 0 0
- -3.6656 1.5844 0.0000 H 0 0 0
- -4.8730 2.0156 0.0000 H 0 0 0
- -6.2054 1.7562 0.0000 H 0 0 0
- -6.9763 0.5891 0.0000 H 0 0 0
- -5.8092 -0.1818 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 6 8 2 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 11 22 1 0
- 11 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-72-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 61 60 1 V2000
- -13.6845 -0.8141 -0.0649 C 0 0 0
- -14.7224 0.2429 0.2119 C 0 0 2
- -12.9544 -1.3551 0.9765 C 0 0 0
- -13.4667 -1.2468 -1.3598 C 0 0 0
- -14.2523 1.5815 -0.3610 C 0 0 1
- -14.9100 0.3683 1.6229 O 0 0 0
- -12.0022 -2.3248 0.7226 C 0 0 0
- -12.5149 -2.2162 -1.6136 C 0 0 0
- -15.2298 2.6266 -0.0289 N 0 0 0
- -12.8933 1.9446 0.2406 C 0 0 0
- -11.7804 -2.7532 -0.5726 C 0 0 0
- -15.1734 3.6170 -1.1123 C 0 0 0
- 2.6631 -1.1274 0.1124 C 0 0 0
- 1.6253 -0.0704 0.3892 C 0 0 2
- 3.3938 -1.6683 1.1540 C 0 0 0
- 2.8805 -1.5602 -1.1821 C 0 0 0
- 2.0954 1.2682 -0.1836 C 0 0 1
- 1.4378 0.0550 1.8003 O 0 0 0
- 4.3457 -2.6378 0.9001 C 0 0 0
- 3.8326 -2.5300 -1.4361 C 0 0 0
- 1.1179 2.3133 0.1485 N 0 0 0
- 3.4544 1.6314 0.4180 C 0 0 0
- 4.5671 -3.0666 -0.3955 C 0 0 0
- 1.1743 3.3038 -0.9349 C 0 0 0
- 17.2346 0.3787 -0.1396 S 0 0 0
- 16.1647 1.4352 0.0962 O 0 0 0
- 18.2341 0.4801 1.0037 O 0 0 0
- 16.5838 -0.8736 0.0264 O 0 0 0
- 17.9363 0.7930 -1.3038 O 0 0 0
- -15.2878 -0.4395 0.0000 H 0 0 0
- -12.3727 -0.6866 0.0000 H 0 0 0
- -14.1873 -1.7626 0.0000 H 0 0 0
- -13.6501 0.9313 0.0000 H 0 0 0
- -15.6468 0.8608 0.0000 H 0 0 0
- -11.2846 -1.8048 0.0000 H 0 0 0
- -13.0945 -2.8866 0.0000 H 0 0 0
- -16.0630 2.3248 0.0000 H 0 0 0
- -12.6645 1.0884 0.0000 H 0 0 0
- -12.0371 2.1734 0.0000 H 0 0 0
- -13.1221 2.8008 0.0000 H 0 0 0
- -11.2037 -3.4261 0.0000 H 0 0 0
- -14.2886 3.5666 0.0000 H 0 0 0
- -15.1230 4.5018 0.0000 H 0 0 0
- -16.0582 3.6674 0.0000 H 0 0 0
- 1.0598 -0.7527 0.0000 H 0 0 0
- 3.9754 -0.9997 0.0000 H 0 0 0
- 2.1597 -2.0757 0.0000 H 0 0 0
- 2.6976 0.6180 0.0000 H 0 0 0
- 0.7012 0.5477 0.0000 H 0 0 0
- 5.0636 -2.1183 0.0000 H 0 0 0
- 3.2531 -3.2004 0.0000 H 0 0 0
- 0.2847 2.0115 0.0000 H 0 0 0
- 3.6832 0.7753 0.0000 H 0 0 0
- 4.3105 1.8602 0.0000 H 0 0 0
- 3.2256 2.4875 0.0000 H 0 0 0
- 5.1436 -3.7397 0.0000 H 0 0 0
- 2.0591 3.2534 0.0000 H 0 0 0
- 1.2247 4.1886 0.0000 H 0 0 0
- 0.2895 3.3542 0.0000 H 0 0 0
- 15.5341 2.0579 0.0000 H 0 0 0
- 19.1158 0.5695 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 13 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 14 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 17 22 1 0
- 19 23 1 0
- 21 24 1 0
- 25 26 1 0
- 25 27 1 0
- 25 28 2 0
- 25 29 2 0
- 8 11 1 0
- 20 23 2 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 5 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 10 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 12 44 1 0
- 14 45 1 0
- 15 46 1 0
- 16 47 1 0
- 17 48 1 0
- 18 49 1 0
- 19 50 1 0
- 20 51 1 0
- 21 52 1 0
- 22 53 1 0
- 22 54 1 0
- 22 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 24 59 1 0
- 26 60 1 0
- 27 61 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-06-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.2033 -0.7193 0.0174 C 0 0 0
- -2.4907 0.0186 0.0384 C 0 0 0
- -0.0001 -0.0211 -0.0010 C 0 0 0
- -1.1972 -2.1135 0.0221 C 0 0 0
- -3.5702 -0.4374 -0.7151 C 0 0 0
- -2.6261 1.1668 0.8163 C 0 0 0
- 1.2034 -0.7195 -0.0207 C 0 0 0
- -0.0001 -2.8013 0.0025 C 0 0 0
- -4.7655 0.2526 -0.6915 C 0 0 0
- -3.8256 1.8488 0.8324 C 0 0 0
- 2.4908 0.0184 -0.0400 C 0 0 0
- 1.1974 -2.1133 -0.0217 C 0 0 0
- -4.8927 1.3945 0.0782 C 0 0 0
- 3.5701 -0.4390 0.7129 C 0 0 0
- 2.6263 1.1681 -0.8157 C 0 0 0
- 4.7653 0.2513 0.6913 C 0 0 0
- 3.8258 1.8504 -0.8299 C 0 0 0
- 4.8925 1.3950 -0.0759 C 0 0 0
- -0.0001 1.0140 0.0000 H 0 0 0
- -2.0919 -2.6339 0.0000 H 0 0 0
- -3.6343 -1.4705 0.0000 H 0 0 0
- -1.7635 1.7389 0.0000 H 0 0 0
- -0.0001 -3.8364 0.0000 H 0 0 0
- -5.6318 -0.3139 0.0000 H 0 0 0
- -3.7664 2.8822 0.0000 H 0 0 0
- 2.0921 -2.6337 0.0000 H 0 0 0
- -5.7864 1.9166 0.0000 H 0 0 0
- 3.6337 -1.4721 0.0000 H 0 0 0
- 1.7636 1.7401 0.0000 H 0 0 0
- 5.6317 -0.3150 0.0000 H 0 0 0
- 3.7670 2.8838 0.0000 H 0 0 0
- 5.7865 1.9167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 2 0
- 9 13 2 0
- 11 14 2 0
- 11 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 12 1 0
- 10 13 1 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1918-00-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.5893 -0.2036 -0.0686 C 0 0 0
- -0.7977 -0.4034 -0.1204 C 0 0 0
- 1.0966 1.0956 0.0387 C 0 0 0
- 1.5064 -1.3554 -0.1208 C 0 0 0
- -1.6519 0.6883 -0.0648 C 0 0 0
- -1.3019 -1.6586 -0.2249 O 0 0 0
- 0.2316 2.1691 0.0927 C 0 0 0
- 2.8116 1.3567 0.1043 Cl 0 0 0
- 1.8440 -1.8946 -1.3087 O 0 0 0
- 1.9585 -1.8191 0.9075 O 0 0 0
- -1.1372 1.9666 0.0417 C 0 0 0
- -3.3701 0.4485 -0.1284 Cl 0 0 0
- -1.5200 -2.1283 1.1069 C 0 0 0
- 0.6096 3.1356 0.0000 H 0 0 0
- 2.3947 -2.7742 0.0000 H 0 0 0
- -1.7796 2.7817 0.0000 H 0 0 0
- -2.4613 -1.6912 0.0000 H 0 0 0
- -1.9571 -3.0696 0.0000 H 0 0 0
- -0.5787 -2.5654 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 11 2 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.6998 1.1652 -0.3838 C 0 0 0
- -0.5863 1.3048 0.4332 C 0 0 0
- 1.6575 2.3034 -0.0258 C 0 0 0
- 1.5507 -0.5598 0.0233 Br 0 0 0
- -1.8169 -0.1577 -0.0269 Br 0 0 0
- 0.2251 2.3481 0.0000 H 0 0 0
- -0.2033 2.5205 0.0000 H 0 0 0
- -1.7034 1.9185 0.0000 H 0 0 0
- 2.6328 1.4828 0.0000 H 0 0 0
- 2.4781 3.2787 0.0000 H 0 0 0
- 0.6822 3.1240 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-63-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.2888 -0.3797 -0.0013 C 0 0 0
- -0.8584 0.3282 -0.0003 O 0 0 0
- 1.5824 0.3175 -0.0004 C 0 0 0
- 0.2532 -1.5945 0.0021 O 0 0 0
- -2.1365 -0.3607 -0.0011 C 0 0 0
- 1.6265 1.8239 0.0016 C 0 0 0
- 2.7149 -0.3813 -0.0015 C 0 0 0
- -3.2699 0.6672 0.0003 C 0 0 0
- -2.9545 -1.0795 0.0000 H 0 0 0
- -1.5148 -1.2547 0.0000 H 0 0 0
- 2.7150 1.7920 0.0000 H 0 0 0
- 1.6584 2.9124 0.0000 H 0 0 0
- 0.5380 1.8558 0.0000 H 0 0 0
- 2.6830 -1.4698 0.0000 H 0 0 0
- 3.6735 0.1354 0.0000 H 0 0 0
- -2.5384 1.4738 0.0000 H 0 0 0
- -4.0765 1.3987 0.0000 H 0 0 0
- -4.0014 -0.1394 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-45-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2579 0.0112 0.3087 C 0 0 0
- -1.1941 0.0007 0.7120 C 0 0 0
- 1.0181 1.1061 0.1171 C 0 0 0
- 1.0211 -1.0685 0.0833 N 0 0 0
- -2.0716 0.0221 -0.5411 C 0 0 0
- 2.2650 0.6657 -0.2365 N 0 0 0
- 2.2241 -0.6841 -0.2454 C 0 0 0
- -3.4870 0.0119 -0.1480 N 0 0 0
- -1.7039 -0.8547 0.0000 H 0 0 0
- -0.6991 -0.8633 0.0000 H 0 0 0
- 0.7123 2.0537 0.0000 H 0 0 0
- -1.5618 0.8775 0.0000 H 0 0 0
- -2.5666 0.8861 0.0000 H 0 0 0
- 3.0865 1.2283 0.0000 H 0 0 0
- 3.0193 -1.2835 0.0000 H 0 0 0
- -3.9911 0.8706 0.0000 H 0 0 0
- -3.9786 -0.8540 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 7 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4196-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 58 1 V2000
- 0.0013 1.3621 -0.3746 C 0 0 0
- -1.2480 1.1857 -1.2400 C 0 0 0
- 0.0006 0.3154 0.7414 C 0 0 0
- 1.2504 1.1841 -1.2400 C 0 0 0
- 0.0022 2.7631 0.2402 C 0 0 0
- -2.4335 1.3546 -0.4188 O 0 0 0
- -0.0003 -1.0142 0.1579 O 0 0 0
- 2.4361 1.3515 -0.4186 O 0 0 0
- -3.6571 1.2423 -0.9710 C 0 0 0
- -0.0010 -2.0998 0.9556 C 0 0 0
- 3.6595 1.2376 -0.9708 C 0 0 0
- -3.7687 0.9997 -2.1560 O 0 0 0
- -4.8632 1.4142 -0.1354 C 0 0 0
- -0.0009 -1.9663 2.1629 O 0 0 0
- -0.0018 -3.4525 0.3620 C 0 0 0
- 3.7709 0.9949 -2.1558 O 0 0 0
- 4.8658 1.4080 -0.1352 C 0 0 0
- -6.1327 1.2985 -0.7045 C 0 0 0
- -4.7385 1.6874 1.2284 C 0 0 0
- -0.0026 -4.5797 1.1857 C 0 0 0
- -0.0077 -3.6095 -1.0256 C 0 0 0
- 6.1352 1.2906 -0.7042 C 0 0 0
- 4.7414 1.6928 1.2263 C 0 0 0
- -7.2549 1.4597 0.0817 C 0 0 0
- -5.8687 1.8463 2.0027 C 0 0 0
- -0.0038 -5.8401 0.6246 C 0 0 0
- -0.0090 -4.8754 -1.5732 C 0 0 0
- 7.2576 1.4514 0.0820 C 0 0 0
- 5.8717 1.8511 2.0005 C 0 0 0
- -7.1241 1.7355 1.4311 C 0 0 0
- -0.0044 -5.9885 -0.7508 C 0 0 0
- 7.1271 1.7282 1.4311 C 0 0 0
- -1.7222 0.4479 0.0000 H 0 0 0
- -0.7748 0.4473 0.0000 H 0 0 0
- 0.7598 -0.1236 0.0000 H 0 0 0
- 0.7604 0.7534 0.0000 H 0 0 0
- 0.7762 0.4463 0.0000 H 0 0 0
- 1.7236 0.4457 0.0000 H 0 0 0
- 0.8792 2.7625 0.0000 H 0 0 0
- 0.0028 3.6401 0.0000 H 0 0 0
- -0.8748 2.7637 0.0000 H 0 0 0
- -6.1554 0.4217 0.0000 H 0 0 0
- -3.9694 2.1090 0.0000 H 0 0 0
- 0.8744 -4.5804 0.0000 H 0 0 0
- -0.8846 -3.5926 0.0000 H 0 0 0
- 6.1572 0.4138 0.0000 H 0 0 0
- 3.9759 2.1209 0.0000 H 0 0 0
- -8.0277 1.0449 0.0000 H 0 0 0
- -5.8461 2.7231 0.0000 H 0 0 0
- 0.8732 -5.8423 0.0000 H 0 0 0
- -0.8860 -4.8768 0.0000 H 0 0 0
- 8.0298 1.0356 0.0000 H 0 0 0
- 5.8535 2.7280 0.0000 H 0 0 0
- -7.6251 2.4554 0.0000 H 0 0 0
- -0.0044 -6.8655 0.0000 H 0 0 0
- 7.6323 2.4451 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 1 0
- 11 8 1 0
- 12 9 2 0
- 13 9 1 0
- 14 10 2 0
- 15 10 1 0
- 16 11 2 0
- 17 11 1 0
- 18 13 2 0
- 19 13 1 0
- 20 15 2 0
- 21 15 1 0
- 22 17 2 0
- 23 17 1 0
- 24 18 1 0
- 25 19 2 0
- 26 20 1 0
- 27 21 2 0
- 28 22 1 0
- 29 23 2 0
- 30 24 2 0
- 31 26 2 0
- 32 28 2 0
- 25 30 1 0
- 27 31 1 0
- 29 32 1 0
- 2 33 1 0
- 2 34 1 0
- 3 35 1 0
- 3 36 1 0
- 4 37 1 0
- 4 38 1 0
- 5 39 1 0
- 5 40 1 0
- 5 41 1 0
- 18 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 23 47 1 0
- 24 48 1 0
- 25 49 1 0
- 26 50 1 0
- 27 51 1 0
- 28 52 1 0
- 29 53 1 0
- 30 54 1 0
- 31 55 1 0
- 32 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.3870 0.0229 -0.0008 C 0 0 0
- -2.8664 0.0229 -0.0009 C 0 0 0
- -0.6889 1.2320 0.0005 C 0 0 0
- -0.6892 -1.1859 0.0037 C 0 0 0
- -3.5399 -1.1435 -0.0022 O 0 0 0
- -3.4736 1.0746 0.0003 O 0 0 0
- 0.6889 1.2320 0.0005 C 0 0 0
- 0.6891 -1.1859 0.0037 C 0 0 0
- 1.3870 0.0229 -0.0008 C 0 0 0
- 2.8664 0.0229 -0.0009 C 0 0 0
- 3.5399 -1.1435 -0.0022 O 0 0 0
- 3.4736 1.0746 0.0003 O 0 0 0
- -1.2090 2.1329 0.0000 H 0 0 0
- -1.2094 -2.0868 0.0000 H 0 0 0
- -4.0601 -2.0444 0.0000 H 0 0 0
- 1.2090 2.1329 0.0000 H 0 0 0
- 1.2092 -2.0868 0.0000 H 0 0 0
- 4.0601 -2.0444 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 8 9 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-121-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.0286 -0.0179 -0.0109 C 0 0 0
- -0.2225 -0.6052 0.0251 C 0 0 0
- 1.1447 1.3581 -0.0697 C 0 0 0
- 2.2438 -0.8625 0.0196 N 0 3 0
- -1.3571 0.1837 0.0025 C 0 0 0
- 0.0097 2.1472 -0.0924 C 0 0 0
- 2.5084 1.9982 -0.1086 C 0 0 0
- 2.5068 -1.5855 -0.9247 O 0 0 0
- 2.9807 -0.8345 0.9889 O 0 5 0
- -1.2410 1.5601 -0.0563 C 0 0 0
- -2.6966 -0.4450 0.0416 N 0 3 0
- -3.6965 0.2502 0.0216 O 0 0 0
- -2.7989 -1.6576 0.0938 O 0 5 0
- -0.3098 -1.6377 0.0000 H 0 0 0
- 0.0970 3.1798 0.0000 H 0 0 0
- 2.9487 1.0602 0.0000 H 0 0 0
- 3.4464 2.4385 0.0000 H 0 0 0
- 2.0681 2.9362 0.0000 H 0 0 0
- -2.0915 2.1521 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-29743-15-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- -1.0061 0.8984 -0.1235 C 0 0 0
- -1.6397 -0.2401 -0.0813 N 0 0 0
- 0.4643 0.9232 -0.0951 C 0 0 0
- -3.0078 -0.2632 -0.1077 C 0 0 0
- 1.1466 2.1437 -0.1403 C 0 0 0
- 1.1853 -0.2736 -0.0169 C 0 0 0
- -3.6802 -1.3486 -0.6734 C 0 0 0
- -3.7381 0.7960 0.4362 C 0 0 0
- 2.5234 2.1616 -0.1129 C 0 0 0
- 2.5614 -0.2450 0.0099 C 0 0 0
- -5.0595 -1.3652 -0.6967 C 0 0 0
- -5.1166 0.7661 0.4061 C 0 0 0
- 3.2348 0.9701 -0.0406 C 0 0 0
- -5.7764 -0.3100 -0.1613 C 0 0 0
- 4.5920 0.9930 -0.0139 O 0 0 0
- -7.2829 -0.3354 -0.1904 C 0 0 0
- 5.0267 -0.3662 0.0609 C 0 0 0
- -7.8064 -1.0041 1.0822 C 0 0 0
- 6.5556 -0.4116 0.0944 C 0 0 0
- 7.0210 -1.8669 0.1745 C 0 0 0
- 8.5500 -1.9122 0.2080 C 0 0 0
- -1.5378 1.7856 0.0000 H 0 0 0
- 0.6175 3.0324 0.0000 H 0 0 0
- 0.6859 -1.1794 0.0000 H 0 0 0
- -3.1716 -2.2492 0.0000 H 0 0 0
- -3.2671 1.7169 0.0000 H 0 0 0
- 3.0281 3.0644 0.0000 H 0 0 0
- 3.0956 -1.1307 0.0000 H 0 0 0
- -5.5381 -2.2822 0.0000 H 0 0 0
- -5.6316 1.6631 0.0000 H 0 0 0
- -7.0671 0.6762 0.0000 H 0 0 0
- -8.2200 0.1025 0.0000 H 0 0 0
- 4.0123 -0.5681 0.0000 H 0 0 0
- 5.1129 -1.3969 0.0000 H 0 0 0
- -8.6208 -0.3665 0.0000 H 0 0 0
- -8.4440 -1.8185 0.0000 H 0 0 0
- -6.9920 -1.6417 0.0000 H 0 0 0
- 7.5700 -0.2097 0.0000 H 0 0 0
- 6.4695 0.6191 0.0000 H 0 0 0
- 6.0066 -2.0688 0.0000 H 0 0 0
- 7.1072 -2.8976 0.0000 H 0 0 0
- 8.5194 -2.9461 0.0000 H 0 0 0
- 9.5839 -1.9428 0.0000 H 0 0 0
- 8.5806 -0.8783 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 14 11 2 0
- 15 13 1 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 17 1 0
- 20 19 1 0
- 21 20 1 0
- 10 13 1 0
- 12 14 1 0
- 1 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4836-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7513 0.4676 0.0070 C 0 0 0
- -1.1489 -0.8555 -0.0340 C 0 0 0
- 0.5943 0.7846 0.0298 C 0 0 0
- -1.7658 1.5453 0.0204 N 0 3 0
- -0.2012 -1.8619 -0.0524 C 0 0 0
- -2.6156 -1.2010 -0.0583 C 0 0 0
- 1.5417 -0.2216 0.0114 C 0 0 0
- -1.8024 2.3586 -0.8855 O 0 0 0
- -2.5641 1.6187 0.9374 O 0 5 0
- 1.1439 -1.5450 -0.0301 C 0 0 0
- -2.7697 -2.6211 -0.0996 O 0 0 0
- 2.9822 0.1178 0.0363 N 0 3 0
- 3.8172 -0.7688 0.0202 O 0 0 0
- 3.3327 1.2837 0.0729 O 0 5 0
- 0.8927 1.7772 0.0000 H 0 0 0
- -0.4996 -2.8545 0.0000 H 0 0 0
- -2.7378 -0.1717 0.0000 H 0 0 0
- -3.6521 -1.2062 0.0000 H 0 0 0
- 1.8543 -2.2998 0.0000 H 0 0 0
- -2.8815 -3.6515 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111955-18-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.4686 -0.2066 -0.1695 C 0 0 0
- 0.4459 0.5786 0.5259 N 0 0 0
- 2.7238 0.6474 -0.3626 C 0 0 1
- 1.7856 -1.3638 0.6017 O 0 0 0
- -0.9071 0.3277 0.2900 C 0 0 0
- 0.7955 1.5018 1.3563 N 0 0 0
- 3.7730 -0.1716 -1.1229 C 0 0 2
- 2.3936 1.8157 -1.1164 O 0 0 0
- 2.6410 -2.1878 -0.1881 C 0 0 0
- -1.5755 1.0075 -0.7208 C 0 0 0
- -1.5873 -0.6067 1.0621 C 0 0 0
- -0.0513 2.0913 2.0036 O 0 0 0
- 3.9922 -1.4959 -0.3827 C 0 0 2
- 5.0019 0.5561 -1.1712 O 0 0 0
- -2.9139 0.7568 -0.9513 C 0 0 0
- -2.9252 -0.8522 0.8260 C 0 0 0
- 4.5826 -1.2367 0.8926 O 0 0 0
- -3.5888 -0.1694 -0.1775 C 0 0 0
- -5.0234 -0.4350 -0.4272 N 0 3 0
- -5.6193 -1.2505 0.2535 O 0 0 0
- -5.6080 0.1620 -1.3134 O 0 5 0
- 0.7173 -0.7115 0.0000 H 0 0 0
- 3.4751 1.1523 0.0000 H 0 0 0
- 2.9947 -0.6339 0.0000 H 0 0 0
- 2.1474 2.6868 0.0000 H 0 0 0
- 1.9451 -2.7667 0.0000 H 0 0 0
- 3.1397 -2.9432 0.0000 H 0 0 0
- -1.3042 1.8711 0.0000 H 0 0 0
- -1.1053 -1.3729 0.0000 H 0 0 0
- 4.3806 -2.3135 0.0000 H 0 0 0
- 5.7808 1.0173 0.0000 H 0 0 0
- -3.3971 1.5222 0.0000 H 0 0 0
- -3.2006 -1.7145 0.0000 H 0 0 0
- 5.4115 -0.8728 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 2 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 13 1 0
- 16 18 1 0
- 1 22 1 0
- 3 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-937-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7177 0.3748 0.4797 C 0 0 0
- -0.5832 0.9173 1.0130 C 0 0 0
- 1.7026 1.2425 0.0469 C 0 0 0
- 0.9283 -0.9907 0.4288 C 0 0 0
- -1.6825 0.4936 0.1422 N 0 0 0
- 2.8961 0.7449 -0.4424 C 0 0 0
- 2.1214 -1.4881 -0.0603 C 0 0 0
- -2.2116 -0.6732 0.2927 N 0 0 0
- -2.1808 1.3951 -0.8996 C 0 0 0
- 3.1043 -0.6203 -0.4987 C 0 0 0
- -3.1255 -1.0254 -0.4314 O 0 0 0
- 0.0147 1.6808 0.0000 H 0 0 0
- -1.1601 1.6968 0.0000 H 0 0 0
- 1.5446 2.1994 0.0000 H 0 0 0
- 0.1648 -1.5887 0.0000 H 0 0 0
- 3.6601 1.3422 0.0000 H 0 0 0
- 2.2799 -2.4449 0.0000 H 0 0 0
- -1.3320 1.8643 0.0000 H 0 0 0
- -2.6500 2.2439 0.0000 H 0 0 0
- -3.0296 0.9259 0.0000 H 0 0 0
- 4.0159 -0.9511 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 2 0
- 7 10 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36050-09-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.3210 0.1117 -0.0033 C 0 0 0
- 0.1219 -0.6880 -0.0027 C 0 0 0
- 1.1612 1.4819 -0.0015 C 0 0 0
- 2.6569 -0.5062 0.0001 C 0 0 0
- -1.0540 -0.0299 -0.0004 C 0 0 0
- -0.5589 1.6810 0.0010 S 0 0 0
- 3.7585 0.2702 -0.0006 N 0 0 0
- 2.7666 -1.7176 0.0036 O 0 0 0
- -2.4234 -0.5919 0.0001 N 0 3 0
- -3.3873 0.1527 0.0024 O 0 0 0
- -2.5863 -1.7990 -0.0018 O 0 5 0
- 0.1622 -1.7218 0.0000 H 0 0 0
- 1.8925 2.2138 0.0000 H 0 0 0
- 4.6975 -0.1642 0.0000 H 0 0 0
- 3.6652 1.3006 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 2 0
- 9 11 1 0
- 5 6 1 0
- 2 12 1 0
- 3 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.2783 0.0396 -0.0265 C 0 0 0
- -1.2761 -1.3678 -0.0258 C 0 0 0
- -0.0001 0.7804 -0.0015 C 0 0 0
- -2.4873 0.7272 -0.0449 C 0 0 0
- 0.0002 -2.1052 -0.0002 C 0 0 0
- -2.4904 -2.0603 -0.0490 C 0 0 0
- 1.2783 0.0399 0.0241 C 0 0 0
- -0.0002 1.9956 -0.0025 O 0 0 0
- -3.6832 0.0278 -0.0629 C 0 0 0
- -2.4963 2.2074 -0.0457 N 0 3 0
- 1.2764 -1.3675 0.0247 C 0 0 0
- 0.0004 -3.3213 0.0000 O 0 0 0
- -3.6885 -1.3521 -0.0725 C 0 0 0
- -2.5009 -3.4162 -0.0490 O 0 0 0
- 2.4871 0.7278 0.0472 C 0 0 0
- -3.1236 2.8131 0.8046 O 0 0 0
- -1.8763 2.8197 -0.8968 O 0 5 0
- 2.4908 -2.0598 0.0485 C 0 0 0
- 3.6831 0.0285 0.0708 C 0 0 0
- 2.4958 2.2079 0.0462 N 0 3 0
- 3.6887 -1.3513 0.0714 C 0 0 0
- 2.5016 -3.4156 0.0489 O 0 0 0
- 3.1254 2.8127 -0.8031 O 0 0 0
- 1.8733 2.8212 0.8947 O 0 5 0
- -4.5870 0.5486 0.0000 H 0 0 0
- -4.5955 -1.8673 0.0000 H 0 0 0
- -2.5090 -4.4593 0.0000 H 0 0 0
- 4.5869 0.5494 0.0000 H 0 0 0
- 4.5959 -1.8663 0.0000 H 0 0 0
- 2.5099 -4.4587 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 15 19 2 0
- 15 20 1 0
- 18 21 2 0
- 18 22 1 0
- 20 23 2 0
- 20 24 1 0
- 7 11 2 0
- 9 13 1 0
- 19 21 1 0
- 9 25 1 0
- 13 26 1 0
- 14 27 1 0
- 19 28 1 0
- 21 29 1 0
- 22 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-46-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.1328 0.7541 0.2378 C 0 0 0
- -1.2221 -0.5780 -0.1268 C 0 0 0
- 0.0000 1.3233 0.6848 O 0 0 0
- -2.2754 1.5521 0.1508 C 0 0 0
- -0.0003 -1.4599 -0.0725 C 0 0 0
- -2.4238 -1.1139 -0.5486 C 0 0 0
- 1.1334 0.7529 0.2409 C 0 0 0
- -3.4716 1.0171 -0.2762 C 0 0 0
- 1.2211 -0.5774 -0.1290 C 0 0 0
- 0.0010 -2.1972 1.1516 O 0 0 0
- -3.5519 -0.3185 -0.6240 C 0 0 0
- 2.2775 1.5500 0.1578 C 0 0 0
- 2.4219 -1.1123 -0.5556 C 0 0 0
- 3.4722 1.0161 -0.2730 C 0 0 0
- 3.5506 -0.3182 -0.6281 C 0 0 0
- -2.1809 2.5489 0.0000 H 0 0 0
- -0.8914 -1.9167 0.0000 H 0 0 0
- -2.5211 -2.1105 0.0000 H 0 0 0
- -4.2951 1.5867 0.0000 H 0 0 0
- 0.0028 -3.1985 0.0000 H 0 0 0
- -4.4543 -0.7525 0.0000 H 0 0 0
- 2.1834 2.5469 0.0000 H 0 0 0
- 2.5189 -2.1089 0.0000 H 0 0 0
- 4.2960 1.5853 0.0000 H 0 0 0
- 4.4525 -0.7533 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 2 0
- 8 11 2 0
- 14 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 2.2821 0.7178 0.1717 C 0 0 0
- 0.8147 0.7113 0.3216 C 0 0 0
- 2.9962 1.9186 0.2806 C 0 0 0
- 2.9685 -0.4742 -0.0739 C 0 0 0
- 0.0302 0.4340 -0.7386 N 0 0 0
- 0.3128 0.9561 1.4019 O 0 0 0
- 4.3759 1.9136 0.1384 C 0 0 0
- 2.3407 3.0814 0.5236 O 0 0 0
- 4.3403 -0.4612 -0.2126 C 0 0 0
- -1.3540 0.3157 -0.5727 C 0 0 0
- 5.0421 0.7300 -0.1093 C 0 0 0
- 5.1923 -1.9427 -0.5177 Cl 0 0 0
- -1.8878 -0.8083 0.0470 C 0 0 0
- -2.1971 1.3233 -1.0215 C 0 0 0
- -3.2554 -0.9212 0.2094 C 0 0 0
- -0.8380 -2.0685 0.6155 Cl 0 0 0
- -3.5634 1.2038 -0.8558 C 0 0 0
- -4.0921 0.0824 -0.2439 C 0 0 0
- -5.5567 -0.0419 -0.0687 N 0 3 0
- -6.2948 0.8411 -0.4674 O 0 0 0
- -6.0237 -1.0272 0.4740 O 0 5 0
- 2.4578 -1.3673 0.0000 H 0 0 0
- 0.2472 -0.5716 0.0000 H 0 0 0
- 4.8968 2.8008 0.0000 H 0 0 0
- 1.8355 3.9776 0.0000 H 0 0 0
- 6.0708 0.7198 0.0000 H 0 0 0
- -1.8027 2.2735 0.0000 H 0 0 0
- -3.6529 -1.8701 0.0000 H 0 0 0
- -4.1517 2.0478 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 9 11 1 0
- 17 18 2 0
- 4 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 11 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-33-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -2.4152 0.9505 -0.0005 Cl 0 0 0
- -1.1376 -0.2248 -0.0013 C 0 0 0
- 0.2059 0.1922 -0.0005 C 0 0 0
- -1.4318 -1.5549 0.0029 C 0 0 0
- 1.2307 -0.7863 -0.0012 C 0 0 0
- 0.5253 1.4902 0.0005 N 0 0 0
- -0.4219 -2.5141 0.0024 C 0 0 0
- 0.8898 -2.1482 -0.0031 C 0 0 0
- 2.5746 -0.3669 -0.0003 C 0 0 0
- 1.7755 1.8843 0.0009 C 0 0 0
- 2.8309 0.9746 0.0011 C 0 0 0
- -2.4310 -1.8604 0.0000 H 0 0 0
- -0.6741 -3.5280 0.0000 H 0 0 0
- 1.6384 -2.8770 0.0000 H 0 0 0
- 3.3542 -1.0625 0.0000 H 0 0 0
- 1.9862 2.9077 0.0000 H 0 0 0
- 3.8175 1.3184 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 9 2 0
- 7 8 1 0
- 10 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-521-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.9818 0.8290 0.1358 C 0 0 0
- -0.9254 -0.5796 0.1135 C 0 0 0
- 0.2673 1.6086 0.2798 C 0 0 0
- -2.2051 1.4726 0.0171 C 0 0 0
- 0.3758 -1.2603 0.2338 C 0 0 0
- -2.1045 -1.3189 -0.0236 C 0 0 0
- 1.5664 0.9274 0.0914 C 0 0 0
- 0.2264 2.7927 0.5497 O 0 0 0
- -3.3728 0.7251 -0.1239 C 0 0 0
- 1.6176 -0.4797 0.0690 C 0 0 0
- 0.4260 -2.4531 0.4668 O 0 0 0
- -3.3225 -0.6592 -0.1372 C 0 0 0
- -2.0597 -2.6739 -0.0460 O 0 0 0
- 2.7353 1.6634 -0.0641 C 0 0 0
- -4.5681 1.3573 -0.2399 O 0 0 0
- 2.8441 -1.1236 -0.1094 C 0 0 0
- 3.9454 1.0112 -0.2402 C 0 0 0
- -5.5630 0.3395 -0.3677 C 0 0 0
- 4.0029 -0.3673 -0.2635 C 0 0 0
- 2.9059 -2.4780 -0.1321 O 0 0 0
- 5.2093 1.8146 -0.4083 C 0 0 0
- -2.2493 2.5106 0.0000 H 0 0 0
- -4.2053 -1.2070 0.0000 H 0 0 0
- -2.0254 -3.7122 0.0000 H 0 0 0
- 2.7002 2.7017 0.0000 H 0 0 0
- -6.3059 1.0657 0.0000 H 0 0 0
- -6.2892 -0.4034 0.0000 H 0 0 0
- -4.8201 -0.3867 0.0000 H 0 0 0
- 4.9266 -0.8428 0.0000 H 0 0 0
- 2.9533 -3.5158 0.0000 H 0 0 0
- 5.7666 0.9378 0.0000 H 0 0 0
- 6.0861 2.3719 0.0000 H 0 0 0
- 4.6520 2.6914 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 17 21 1 0
- 7 10 2 0
- 9 12 2 0
- 17 19 1 0
- 4 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118174-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -3.4247 0.5480 -0.0156 C 0 0 0
- -3.3648 -0.8629 0.0060 C 0 0 0
- -2.2883 1.2630 -0.0151 N 0 3 0
- -4.6771 1.1839 -0.0315 C 0 0 0
- -2.1458 -1.4860 0.0268 N 0 3 0
- -4.5478 -1.6011 0.0064 C 0 0 0
- -1.1086 0.6441 0.0061 C 0 0 0
- -2.3360 2.4799 -0.0337 O 0 5 0
- -5.8149 0.4337 -0.0258 C 0 0 0
- -1.0328 -0.7484 0.0263 C 0 0 0
- -2.0662 -2.8996 0.0481 O 0 5 0
- -5.7511 -0.9560 -0.0141 C 0 0 0
- 0.1313 1.4406 0.0069 C 0 0 0
- 1.2847 0.8458 0.0275 N 0 0 0
- 2.4634 1.6030 0.0282 N 0 0 0
- 3.6612 0.9854 0.0496 C 0 0 0
- 3.7249 -0.3597 0.0702 O 0 0 0
- 4.6836 1.6422 0.0502 O 0 0 0
- 5.0096 -1.0274 -0.0392 C 0 0 0
- 5.8868 -0.6443 1.1543 C 0 0 0
- 4.7975 -2.5426 -0.0508 C 0 0 0
- 5.6982 -0.5989 -1.3366 C 0 0 0
- -4.7350 2.2062 0.0000 H 0 0 0
- -4.5141 -2.6245 0.0000 H 0 0 0
- -6.7274 0.8984 0.0000 H 0 0 0
- -0.1178 -1.2081 0.0000 H 0 0 0
- -6.6174 -1.5019 0.0000 H 0 0 0
- 0.0827 2.4634 0.0000 H 0 0 0
- 2.4148 2.6258 0.0000 H 0 0 0
- 6.2966 -1.5827 0.0000 H 0 0 0
- 6.8252 -0.2345 0.0000 H 0 0 0
- 5.4770 0.2941 0.0000 H 0 0 0
- 3.7834 -2.4006 0.0000 H 0 0 0
- 4.6555 -3.5567 0.0000 H 0 0 0
- 5.8116 -2.6846 0.0000 H 0 0 0
- 6.2392 -1.4683 0.0000 H 0 0 0
- 6.5676 -0.0579 0.0000 H 0 0 0
- 5.1572 0.2705 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 19 20 1 0
- 19 21 1 0
- 19 22 1 0
- 7 10 1 0
- 9 12 1 0
- 4 23 1 0
- 6 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 20 30 1 0
- 20 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2508-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -1.5289 0.5604 0.0172 C 0 0 0
- -1.8713 -0.8109 -0.0905 C 0 0 0
- -0.1822 0.9456 -0.0854 C 0 0 0
- -2.5436 1.5097 0.2308 C 0 0 0
- -0.8590 -1.7642 -0.2983 C 0 0 0
- -3.2196 -1.1935 0.0131 C 0 0 0
- 0.7841 -0.0140 -0.2890 C 0 0 0
- -3.8378 1.1011 0.3311 C 0 0 0
- 0.4370 -1.3663 -0.3943 C 0 0 0
- -4.1756 -0.2460 0.2148 C 0 0 0
- 2.1262 0.3661 -0.3922 N 0 0 0
- 3.0185 -0.0557 0.5255 C 0 0 0
- 2.5473 1.1942 -1.4609 O 0 0 0
- 3.0892 0.6166 1.8724 C 0 0 0
- 3.7647 -0.9764 0.2674 O 0 0 0
- 0.0747 1.9446 0.0000 H 0 0 0
- -2.3153 2.5156 0.0000 H 0 0 0
- -1.0929 -2.7688 0.0000 H 0 0 0
- -3.4770 -2.1924 0.0000 H 0 0 0
- -4.5888 1.8082 0.0000 H 0 0 0
- 1.1832 -2.0785 0.0000 H 0 0 0
- -5.1691 -0.5232 0.0000 H 0 0 0
- 3.0148 2.1136 0.0000 H 0 0 0
- 4.1150 0.5087 0.0000 H 0 0 0
- 3.1971 1.6424 0.0000 H 0 0 0
- 2.0634 0.7245 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 7 9 1 0
- 8 10 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24260-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -1.1345 0.4903 -0.3779 C 0 0 0
- -0.4583 -0.8336 -0.3990 C 0 0 0
- -0.4096 1.6160 -0.1878 C 0 0 0
- -2.5024 0.5709 -0.5580 N 0 0 0
- 0.9930 -0.9175 -0.2139 C 0 0 0
- -1.1087 -1.8455 -0.5701 O 0 0 0
- 1.0405 1.5303 -0.0030 C 0 0 0
- -3.3308 -0.1108 0.2577 C 0 0 0
- 1.7157 0.2069 -0.0243 C 0 0 0
- 1.6920 2.5419 0.1674 O 0 0 0
- -4.8130 -0.1250 -0.0146 C 0 0 0
- -2.8836 -0.7128 1.2106 O 0 0 0
- 3.0552 0.1286 0.1470 O 0 0 0
- 3.4002 -1.2564 0.0772 C 0 0 0
- 4.9104 -1.4157 0.2644 C 0 0 0
- -0.8749 2.5323 0.0000 H 0 0 0
- -2.8207 1.5481 0.0000 H 0 0 0
- 1.4593 -1.8334 0.0000 H 0 0 0
- -4.8228 0.9027 0.0000 H 0 0 0
- -5.8407 -0.1348 0.0000 H 0 0 0
- -4.8032 -1.1527 0.0000 H 0 0 0
- 2.3809 -1.3873 0.0000 H 0 0 0
- 3.4118 -2.2840 0.0000 H 0 0 0
- 4.8026 -2.4377 0.0000 H 0 0 0
- 5.9324 -1.5235 0.0000 H 0 0 0
- 5.0182 -0.3937 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 7 10 2 0
- 8 11 1 0
- 8 12 2 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 7 9 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1421-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 42 1 V2000
- 1.5851 2.2113 -0.2638 C 0 0 0
- 0.6781 1.0071 -0.1575 C 0 0 0
- 3.1023 1.9740 -0.2657 C 0 0 0
- 2.3790 2.3089 0.9204 O 0 0 0
- 1.2268 -0.2762 -0.0655 C 0 0 0
- -0.6735 1.1926 -0.1524 C 0 0 0
- 3.5982 0.5515 -0.1629 C 0 0 0
- 2.6940 -0.4999 -0.0685 C 0 0 0
- 0.3902 -1.3823 0.0324 C 0 0 0
- -1.5320 0.0962 -0.0547 C 0 0 0
- 4.9563 0.3025 -0.1627 C 0 0 0
- 3.1744 -1.8092 0.0260 C 0 0 0
- -0.9973 -1.2095 0.0387 C 0 0 0
- -2.9881 0.2622 -0.0460 C 0 0 0
- 5.4242 -0.9954 -0.0692 C 0 0 0
- 4.5320 -2.0485 0.0259 C 0 0 0
- -1.8675 -2.3213 0.1381 C 0 0 0
- -3.8026 -0.8882 0.0553 C 0 0 0
- -3.5800 1.5237 -0.1356 C 0 0 0
- -3.2065 -2.1676 0.1459 C 0 0 0
- -5.1967 -0.7397 0.0645 C 0 0 0
- -4.9411 1.6350 -0.1245 C 0 0 0
- -5.7456 0.5059 -0.0239 C 0 0 0
- 1.0626 3.1160 0.0000 H 0 0 0
- 3.8764 2.6756 0.0000 H 0 0 0
- -1.0659 2.1608 0.0000 H 0 0 0
- 0.7967 -2.3447 0.0000 H 0 0 0
- 5.6318 1.0995 0.0000 H 0 0 0
- 2.5039 -2.6104 0.0000 H 0 0 0
- 6.4524 -1.1808 0.0000 H 0 0 0
- 4.8870 -3.0311 0.0000 H 0 0 0
- -1.4643 -3.2851 0.0000 H 0 0 0
- -2.9842 2.3819 0.0000 H 0 0 0
- -3.8174 -3.0151 0.0000 H 0 0 0
- -5.8130 -1.5833 0.0000 H 0 0 0
- -5.3814 2.5824 0.0000 H 0 0 0
- -6.7849 0.6123 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 3 4 1 0
- 7 8 2 0
- 10 13 1 0
- 15 16 1 0
- 18 20 1 0
- 22 23 1 0
- 1 24 1 0
- 3 25 1 0
- 6 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110520-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2235 0.7165 -0.0036 C 0 0 0
- -0.2355 -0.6989 -0.0025 C 0 0 0
- 1.0637 1.4394 -0.0026 C 0 0 0
- -1.4078 1.4390 0.0000 C 0 0 0
- 1.0403 -1.4422 -0.0001 C 0 0 0
- -1.4318 -1.4007 -0.0030 C 0 0 0
- 2.2738 0.7259 -0.0007 C 0 0 0
- 1.0847 2.8351 -0.0029 C 0 0 0
- -2.6283 0.7629 0.0045 C 0 0 0
- 2.2618 -0.7480 0.0006 C 0 0 0
- 1.0400 -2.8380 0.0010 C 0 0 0
- -2.6425 -0.7038 -0.0051 C 0 0 0
- 3.4842 1.4212 0.0007 C 0 0 0
- 2.2895 3.5030 -0.0014 C 0 0 0
- -3.8686 1.4307 0.0079 C 0 0 0
- 3.4612 -1.4621 0.0024 C 0 0 0
- 2.2342 -3.5247 0.0028 C 0 0 0
- -3.8900 -1.3526 -0.0053 C 0 0 0
- 3.4844 2.7988 0.0004 C 0 0 0
- -5.0069 0.6847 0.0117 C 0 0 0
- 3.4400 -2.8394 0.0034 C 0 0 0
- -4.9917 -0.6403 -0.0068 N 0 0 0
- -1.3859 2.4856 0.0000 H 0 0 0
- -1.4275 -2.4476 0.0000 H 0 0 0
- 0.1867 3.3732 0.0000 H 0 0 0
- 0.1338 -3.3621 0.0000 H 0 0 0
- 4.3902 0.8967 0.0000 H 0 0 0
- 2.3033 4.5498 0.0000 H 0 0 0
- -3.9137 2.4766 0.0000 H 0 0 0
- 4.3753 -0.9518 0.0000 H 0 0 0
- 2.2316 -4.5716 0.0000 H 0 0 0
- -3.9394 -2.3983 0.0000 H 0 0 0
- 4.3934 3.3181 0.0000 H 0 0 0
- -5.9308 1.1770 0.0000 H 0 0 0
- 4.3408 -3.3729 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 2 0
- 18 22 2 0
- 7 10 1 0
- 9 12 1 0
- 14 19 1 0
- 17 21 1 0
- 20 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18458-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.0358 -0.2145 0.4475 C 0 0 0
- -1.4956 -0.3867 0.7797 C 0 0 0
- 0.5368 1.0435 0.4798 C 0 0 0
- 0.7320 -1.3149 0.1160 C 0 0 0
- -2.3282 -0.2552 -0.4972 C 0 0 0
- 1.8756 1.2015 0.1750 C 0 0 0
- 2.0712 -1.1569 -0.1888 C 0 0 0
- -3.8103 -0.4300 -0.1598 C 0 0 0
- -3.2203 0.8541 -0.3719 O 0 0 0
- 2.6423 0.1015 -0.1622 C 0 0 0
- 4.1021 0.2737 -0.4944 C 0 0 0
- -2.0713 -1.2486 0.0000 H 0 0 0
- -0.9541 -1.2706 0.0000 H 0 0 0
- -0.0743 1.8807 0.0000 H 0 0 0
- 0.3074 -2.2605 0.0000 H 0 0 0
- -2.3485 -1.2915 0.0000 H 0 0 0
- 2.3004 2.1470 0.0000 H 0 0 0
- 2.6828 -1.9938 0.0000 H 0 0 0
- -4.8151 -0.1756 0.0000 H 0 0 0
- -3.8779 -1.4643 0.0000 H 0 0 0
- 4.2235 -0.7557 0.0000 H 0 0 0
- 5.1315 0.3951 0.0000 H 0 0 0
- 3.9807 1.3031 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 10 11 1 0
- 7 10 2 0
- 8 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1204-60-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.0474 -0.3894 0.0730 C 0 0 0
- -1.4915 -0.0515 0.0175 C 0 0 0
- 0.9074 0.6022 -0.1225 C 0 0 0
- 0.3534 -1.7008 0.3271 C 0 0 0
- -2.3904 -0.9228 -0.5946 C 0 0 0
- -1.9540 1.1350 0.5821 C 0 0 0
- 2.2642 0.2765 -0.0682 C 0 0 0
- 1.6971 -2.0197 0.3802 C 0 0 0
- -3.7322 -0.6038 -0.6430 C 0 0 0
- -3.2983 1.4441 0.5280 C 0 0 0
- 2.6523 -1.0444 0.1823 C 0 0 0
- 3.2827 1.3189 -0.2744 C 0 0 0
- -4.1853 0.5783 -0.0853 C 0 0 0
- 4.4603 1.0339 -0.2268 O 0 0 0
- 0.6178 1.5932 0.0000 H 0 0 0
- -0.3531 -2.4537 0.0000 H 0 0 0
- -2.1168 -1.9183 0.0000 H 0 0 0
- -1.2790 1.9162 0.0000 H 0 0 0
- 1.9838 -3.0115 0.0000 H 0 0 0
- -4.4123 -1.3806 0.0000 H 0 0 0
- -3.5773 2.4381 0.0000 H 0 0 0
- 3.6540 -1.2944 0.0000 H 0 0 0
- 2.9976 2.3112 0.0000 H 0 0 0
- -5.1938 0.7993 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 8 11 2 0
- 10 13 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-124-09-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.6087 -0.4634 0.0000 C 0 0 0
- -0.6087 0.4634 0.0000 C 0 0 0
- 1.8882 0.3755 0.0000 C 0 0 0
- -1.8882 -0.3755 0.0000 C 0 0 0
- 3.1056 -0.5513 0.0000 C 0 0 0
- -3.1056 0.5513 0.0000 C 0 0 0
- 4.3341 0.2542 0.0000 N 0 0 0
- -4.3341 -0.2542 0.0000 N 0 0 0
- -0.1851 -1.2920 0.0000 H 0 0 0
- 1.3423 -1.3458 0.0000 H 0 0 0
- 0.1851 1.2920 0.0000 H 0 0 0
- -1.3423 1.3458 0.0000 H 0 0 0
- 2.6820 1.2041 0.0000 H 0 0 0
- 1.1546 1.2579 0.0000 H 0 0 0
- -2.6820 -1.2041 0.0000 H 0 0 0
- -1.1546 -1.2579 0.0000 H 0 0 0
- 2.3118 -1.3799 0.0000 H 0 0 0
- 3.8392 -1.4337 0.0000 H 0 0 0
- -2.3118 1.3799 0.0000 H 0 0 0
- -3.8392 1.4337 0.0000 H 0 0 0
- 5.3588 -0.2622 0.0000 H 0 0 0
- 4.2690 1.3998 0.0000 H 0 0 0
- -5.3588 0.2622 0.0000 H 0 0 0
- -4.2690 -1.3998 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3740-52-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.9743 0.4258 -0.0572 C 0 0 0
- 0.2770 -0.6706 -0.5285 C 0 0 0
- 2.2707 0.2764 0.3995 C 0 0 0
- 0.3353 1.7609 -0.0472 N 0 3 0
- 0.8759 -1.9166 -0.5433 C 0 0 0
- -1.1362 -0.5079 -1.0258 C 0 0 0
- 2.8694 -0.9692 0.3847 C 0 0 0
- -0.0298 2.2692 -1.0921 O 0 0 0
- 0.1745 2.3511 1.0061 O 0 5 0
- 2.1720 -2.0658 -0.0872 C 0 0 0
- -2.0971 -0.7051 0.1182 C 0 0 0
- -3.4193 -0.6061 -0.0911 O 0 0 0
- -1.6774 -0.9524 1.2239 O 0 0 0
- 2.8382 1.0735 0.0000 H 0 0 0
- 0.3084 -2.7137 0.0000 H 0 0 0
- -0.6394 0.3351 0.0000 H 0 0 0
- -1.7050 0.2883 0.0000 H 0 0 0
- 3.8462 -1.0271 0.0000 H 0 0 0
- 2.5931 -2.9491 0.0000 H 0 0 0
- -4.3951 -0.5330 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 11 12 1 0
- 11 13 2 0
- 7 10 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4316-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.4467 -0.6614 0.0000 C 0 0 0
- -0.9149 -0.0157 0.0000 C 0 0 0
- 1.4826 0.3802 0.0000 N 0 0 0
- -2.0194 -0.7785 0.0000 O 0 0 0
- -1.0125 1.1886 0.0000 O 0 0 0
- 2.7779 -0.3126 0.0000 C 0 0 0
- -0.1349 -1.5971 0.0000 H 0 0 0
- 1.3107 -1.3450 0.0000 H 0 0 0
- 1.3196 1.4698 0.0000 H 0 0 0
- -2.9259 -1.4046 0.0000 H 0 0 0
- 2.2583 -1.2841 0.0000 H 0 0 0
- 3.7494 -0.8322 0.0000 H 0 0 0
- 3.2975 0.6589 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5307-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7098 0.2699 0.0018 C 0 0 0
- -0.7152 -1.1233 0.0004 C 0 0 0
- 0.4927 0.9557 0.0017 C 0 0 0
- -1.8845 0.9554 -0.0024 O 0 0 0
- 0.4831 -1.8204 -0.0010 C 0 0 0
- -1.9327 -1.8204 0.0010 N 0 0 0
- 1.6912 0.2538 0.0003 C 0 0 0
- -1.5518 2.3451 0.0003 C 0 0 0
- 1.6833 -1.1342 -0.0011 C 0 0 0
- 2.9076 0.9465 -0.0003 N 0 0 0
- 0.4987 1.9970 0.0000 H 0 0 0
- 0.4792 -2.8617 0.0000 H 0 0 0
- -2.8327 -1.2965 0.0000 H 0 0 0
- -1.9364 -2.8617 0.0000 H 0 0 0
- -0.5391 2.1026 0.0000 H 0 0 0
- -1.3093 3.3578 0.0000 H 0 0 0
- -2.5645 2.5876 0.0000 H 0 0 0
- 2.5825 -1.6593 0.0000 H 0 0 0
- 3.8063 0.4205 0.0000 H 0 0 0
- 2.9138 1.9878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 9 2 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.6769 -1.2103 -0.0021 C 0 0 0
- -0.7096 -1.1915 -0.0013 C 0 0 0
- 1.3866 -0.0188 -0.0015 C 0 0 0
- 1.3403 -2.3964 0.0021 O 0 0 0
- -1.3866 0.0190 0.0001 C 0 0 0
- 0.7098 1.1914 -0.0001 C 0 0 0
- -0.6771 1.2102 0.0008 C 0 0 0
- -2.7454 0.0375 0.0004 O 0 0 0
- 1.4052 2.3589 0.0006 O 0 0 0
- -1.2418 -2.0850 0.0000 H 0 0 0
- 2.4264 -0.0330 0.0000 H 0 0 0
- 1.8479 -3.3040 0.0000 H 0 0 0
- -1.1848 2.1178 0.0000 H 0 0 0
- -3.7852 0.0517 0.0000 H 0 0 0
- 1.9374 3.2524 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-779-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.2063 0.9486 -0.0026 C 0 0 0
- -1.2103 -0.5168 -0.0018 C 0 0 0
- 0.0001 1.6482 -0.0024 C 0 0 0
- -2.4427 1.6296 0.0022 C 0 0 0
- 0.0001 -1.2241 -0.0003 C 0 0 0
- -2.4468 -1.1919 -0.0021 C 0 0 0
- 1.2062 0.9487 -0.0014 C 0 0 0
- -3.5993 0.9182 0.0075 C 0 0 0
- 1.2102 -0.5169 0.0005 C 0 0 0
- 0.0002 -2.6119 0.0000 N 0 0 0
- -3.6017 -0.4764 -0.0032 C 0 0 0
- 2.4427 1.6297 -0.0015 C 0 0 0
- 2.4468 -1.1920 0.0024 C 0 0 0
- 3.5992 0.9183 -0.0009 C 0 0 0
- 3.6016 -0.4764 0.0035 C 0 0 0
- 0.0001 2.6942 0.0000 H 0 0 0
- -2.4678 2.6753 0.0000 H 0 0 0
- -2.4755 -2.2375 0.0000 H 0 0 0
- -4.5119 1.4293 0.0000 H 0 0 0
- -0.9056 -3.1350 0.0000 H 0 0 0
- 0.9061 -3.1348 0.0000 H 0 0 0
- -4.5160 -0.9845 0.0000 H 0 0 0
- 2.4678 2.6754 0.0000 H 0 0 0
- 2.4756 -2.2376 0.0000 H 0 0 0
- 4.5118 1.4294 0.0000 H 0 0 0
- 4.5160 -0.9844 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 11 1 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77784-22-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 48 1 V2000
- -0.9388 0.4987 -0.0013 C 0 0 0
- -1.5016 -0.7925 -0.0617 C 0 0 0
- 0.5211 0.6279 0.0485 C 0 0 0
- -1.7794 1.6171 0.0153 C 0 0 0
- -0.6348 -1.9705 -0.0951 C 0 0 0
- -2.8954 -0.9386 -0.0904 C 0 0 0
- 1.3143 -0.5415 0.0329 C 0 0 0
- 1.1309 1.8831 0.1103 C 0 0 0
- -3.1546 1.4403 -0.0229 C 0 0 0
- -1.5094 2.9539 0.0656 O 0 0 0
- 0.7146 -1.8184 -0.0405 C 0 0 0
- -1.1834 -3.2466 -0.1975 N 0 0 0
- -3.7003 0.1571 -0.0808 C 0 0 0
- -3.4650 -2.3360 -0.1174 C 0 0 0
- 2.7148 -0.4173 0.0877 C 0 0 0
- 2.4918 1.9819 0.1592 C 0 0 0
- -3.7532 2.6680 -0.0002 O 0 0 0
- -2.7213 3.6063 -0.3570 C 0 0 0
- -2.4473 -3.2742 0.5414 C 0 0 0
- -0.2664 -4.1576 0.5005 C 0 0 0
- 3.2882 0.8392 0.1492 C 0 0 0
- 3.5002 -1.5275 0.0806 O 0 0 0
- 4.6421 0.9605 0.2004 O 0 0 0
- 3.9435 -1.7112 -1.2654 C 0 0 0
- 4.9295 2.3592 0.2566 C 0 0 0
- 0.5465 2.7455 0.0000 H 0 0 0
- 1.3216 -2.6651 0.0000 H 0 0 0
- -4.7351 0.0368 0.0000 H 0 0 0
- -4.3761 -1.8308 0.0000 H 0 0 0
- -4.0750 -3.1805 0.0000 H 0 0 0
- 2.9401 2.9223 0.0000 H 0 0 0
- -2.1272 4.4621 0.0000 H 0 0 0
- -3.5046 4.2931 0.0000 H 0 0 0
- -3.3311 -3.8258 0.0000 H 0 0 0
- -2.1495 -4.2725 0.0000 H 0 0 0
- -1.0006 -4.8967 0.0000 H 0 0 0
- 0.4727 -4.8918 0.0000 H 0 0 0
- 0.4678 -3.4185 0.0000 H 0 0 0
- 3.5447 -2.6736 0.0000 H 0 0 0
- 4.9059 -2.1100 0.0000 H 0 0 0
- 4.3423 -0.7488 0.0000 H 0 0 0
- 5.9500 2.1495 0.0000 H 0 0 0
- 5.1392 3.3797 0.0000 H 0 0 0
- 3.9090 2.5689 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 15 21 2 0
- 15 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 13 1 0
- 14 19 1 0
- 16 21 1 0
- 17 18 1 0
- 8 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 20 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72492-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -2.6536 0.1356 0.0003 C 0 0 0
- -1.6323 -0.9779 0.0000 C 0 0 0
- -1.9159 1.3541 0.0014 O 0 0 0
- -3.9664 -0.0033 -0.7662 C 0 0 0
- -3.9675 -0.0044 0.7645 C 0 0 0
- -0.3341 -0.2804 -0.0002 C 0 0 0
- -1.8349 -2.1737 0.0002 O 0 0 0
- -0.5861 1.1024 0.0006 C 0 0 0
- 0.9747 -0.7586 -0.0005 C 0 0 0
- 0.4914 1.9904 0.0000 C 0 0 0
- 2.0397 0.1430 -0.0003 C 0 0 0
- 1.7823 1.5223 -0.0012 C 0 0 0
- 3.4239 -0.3496 0.0002 C 0 0 0
- 4.5714 0.6273 0.0005 C 0 0 0
- 3.6431 -1.5425 0.0003 O 0 0 0
- -3.7672 1.0241 0.0000 H 0 0 0
- -4.8905 0.4878 0.0000 H 0 0 0
- -4.8918 0.4865 0.0000 H 0 0 0
- -4.1662 -1.0319 0.0000 H 0 0 0
- 1.1580 -1.7890 0.0000 H 0 0 0
- 0.3136 3.0217 0.0000 H 0 0 0
- 2.5802 2.1995 0.0000 H 0 0 0
- 5.2498 -0.1696 0.0000 H 0 0 0
- 5.3683 1.3057 0.0000 H 0 0 0
- 3.8930 1.4242 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 2 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 4 5 1 0
- 6 8 2 0
- 11 12 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1985-51-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- 0.0000 -0.1561 0.0000 C 0 0 0
- -1.2492 0.7272 0.0000 C 0 0 0
- 1.2492 0.7272 0.0000 C 0 0 0
- 0.0000 -1.0394 1.2493 C 0 0 0
- 0.0000 -1.0395 -1.2492 C 0 0 0
- -2.4348 -0.1111 0.0000 O 0 0 0
- 2.4348 -0.1111 0.0000 O 0 0 0
- -3.6591 0.4529 0.0000 C 0 0 0
- 3.6591 0.4529 0.0000 C 0 0 0
- -4.8589 -0.3955 0.0000 C 0 0 0
- -3.7706 1.6631 0.0000 O 0 0 0
- 4.8589 -0.3955 0.0000 C 0 0 0
- 3.7706 1.6631 0.0000 O 0 0 0
- -4.7206 -1.8962 0.0000 C 0 0 0
- -6.0677 0.1613 0.0000 C 0 0 0
- 4.7206 -1.8962 0.0000 C 0 0 0
- 6.0677 0.1613 0.0000 C 0 0 0
- -0.5500 1.5105 0.0000 H 0 0 0
- -1.9484 1.5105 0.0000 H 0 0 0
- 1.9484 1.5105 0.0000 H 0 0 0
- 0.5500 1.5105 0.0000 H 0 0 0
- -1.0500 -1.0394 0.0000 H 0 0 0
- 0.0000 -2.0894 0.0000 H 0 0 0
- 1.0500 -1.0394 0.0000 H 0 0 0
- -1.0500 -1.0395 0.0000 H 0 0 0
- 0.0000 -2.0895 0.0000 H 0 0 0
- 1.0500 -1.0395 0.0000 H 0 0 0
- -5.7662 -1.9926 0.0000 H 0 0 0
- -4.6242 -2.9418 0.0000 H 0 0 0
- -3.6750 -1.7998 0.0000 H 0 0 0
- -6.1641 1.2069 0.0000 H 0 0 0
- -6.9250 -0.4450 0.0000 H 0 0 0
- 3.6750 -1.7998 0.0000 H 0 0 0
- 4.6242 -2.9418 0.0000 H 0 0 0
- 5.7662 -1.9926 0.0000 H 0 0 0
- 6.9250 -0.4450 0.0000 H 0 0 0
- 6.1641 1.2069 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 9 13 2 0
- 10 14 1 0
- 10 15 2 0
- 12 16 1 0
- 12 17 2 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 5 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82-71-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.0064 2.6877 -0.0010 N 0 3 0
- -0.0253 3.2978 -1.0550 O 0 5 0
- 0.0042 3.2956 1.0544 O 0 0 0
- -0.0027 1.2075 -0.0026 C 0 0 0
- 1.1987 0.5163 -0.0230 C 0 0 0
- -1.2008 0.5100 0.0221 C 0 0 0
- 2.3747 1.1971 -0.0410 O 0 0 0
- 1.1996 -0.8716 -0.0245 C 0 0 0
- -2.3801 1.1847 0.0473 O 0 0 0
- -1.1946 -0.8775 0.0205 C 0 0 0
- 2.4821 -1.6103 -0.0462 N 0 3 0
- 0.0044 -1.5643 -0.0061 C 0 0 0
- -2.4733 -1.6228 0.0468 N 0 3 0
- 2.6121 -2.5839 -0.7665 O 0 0 0
- 3.4076 -1.2445 0.6561 O 0 5 0
- -2.5960 -2.5965 0.7681 O 0 0 0
- -3.4028 -1.2623 -0.6530 O 0 5 0
- 3.2714 1.7162 0.0000 H 0 0 0
- -3.2794 1.6992 0.0000 H 0 0 0
- 0.0070 -2.6004 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 1 0
- 10 6 2 0
- 11 8 1 0
- 12 8 2 0
- 13 10 1 0
- 14 11 2 0
- 15 11 1 0
- 16 13 2 0
- 17 13 1 0
- 10 12 1 0
- 7 18 1 0
- 9 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-62-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2135 0.6525 -0.0030 C 0 0 0
- -0.4701 -0.7412 -0.0009 C 0 0 0
- 1.1128 1.1140 -0.0024 C 0 0 0
- -1.3005 1.5464 0.0001 C 0 0 0
- 0.6147 -1.6358 0.0013 C 0 0 0
- -1.7306 -1.1854 -0.0006 N 0 0 0
- 2.1371 0.2172 0.0003 C 0 0 0
- -2.5633 1.0254 0.0051 C 0 0 0
- 1.8872 -1.1538 0.0014 C 0 0 0
- -2.7456 -0.3555 -0.0023 C 0 0 0
- 3.5600 0.7137 0.0010 C 0 0 0
- 1.3123 2.1397 0.0000 H 0 0 0
- -1.1459 2.5798 0.0000 H 0 0 0
- 0.4443 -2.6667 0.0000 H 0 0 0
- -3.3917 1.6622 0.0000 H 0 0 0
- 2.6901 -1.8226 0.0000 H 0 0 0
- -3.7171 -0.7402 0.0000 H 0 0 0
- 3.9043 -0.2729 0.0000 H 0 0 0
- 4.5466 1.0580 0.0000 H 0 0 0
- 3.2157 1.7003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132898-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.7191 -0.3073 -0.0020 C 0 0 0
- -0.7193 -0.5620 -0.0015 C 0 0 0
- 1.1726 1.0355 -0.0008 C 0 0 0
- 1.6022 -1.3046 0.0019 N 0 0 0
- -1.5943 0.5275 0.0002 C 0 0 0
- -1.4714 -1.6862 -0.0023 N 0 0 0
- 0.2356 2.0861 0.0004 C 0 0 0
- 2.4863 1.2842 -0.0012 N 0 0 0
- 2.8901 -1.0354 0.0018 C 0 0 0
- -2.8714 -0.0064 0.0003 N 0 0 0
- -1.0976 1.8333 0.0013 C 0 0 0
- -2.7427 -1.3639 -0.0012 C 0 0 0
- 3.3395 0.2841 -0.0028 C 0 0 0
- 3.8886 -2.1641 0.0067 C 0 0 0
- -4.1279 0.7470 0.0023 C 0 0 0
- -2.0654 2.9884 0.0026 C 0 0 0
- -3.7902 -2.2616 -0.0016 N 0 0 0
- 4.8197 0.5672 -0.0038 C 0 0 0
- 0.5708 3.0725 0.0000 H 0 0 0
- 3.1083 -2.8544 0.0000 H 0 0 0
- 4.5789 -2.9444 0.0000 H 0 0 0
- 4.6689 -1.4738 0.0000 H 0 0 0
- -3.5922 1.6405 0.0000 H 0 0 0
- -5.0214 1.2827 0.0000 H 0 0 0
- -4.6636 -0.1465 0.0000 H 0 0 0
- -1.2668 3.6575 0.0000 H 0 0 0
- -2.7345 3.7870 0.0000 H 0 0 0
- -2.8640 2.3193 0.0000 H 0 0 0
- -4.7728 -1.9155 0.0000 H 0 0 0
- -3.5986 -3.2856 0.0000 H 0 0 0
- 5.0154 -0.4561 0.0000 H 0 0 0
- 5.8430 0.7629 0.0000 H 0 0 0
- 4.6240 1.5905 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 1 0
- 7 11 2 0
- 9 13 1 0
- 10 12 1 0
- 7 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-504-88-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 1.9077 0.0114 0.0290 C 0 0 0
- 0.5049 0.5163 0.2482 C 0 0 0
- 2.9569 0.7640 0.3959 O 0 0 0
- 2.0881 -1.0729 -0.4726 O 0 0 0
- -0.4965 -0.5258 -0.2541 C 0 0 0
- -1.8603 -0.0350 -0.0410 N 0 3 0
- -2.2241 1.0009 -0.5683 O 0 0 0
- -2.6303 -0.6628 0.6636 O 0 5 0
- 0.9568 1.3728 0.0000 H 0 0 0
- -0.2802 1.0833 0.0000 H 0 0 0
- 3.7438 1.3284 0.0000 H 0 0 0
- -0.9484 -1.3823 0.0000 H 0 0 0
- 0.2886 -1.0928 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 2 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-533-73-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.6921 0.7519 0.0019 C 0 0 0
- -1.1027 -0.5775 0.0004 C 0 0 0
- 0.6591 1.0576 0.0018 C 0 0 0
- -1.6160 1.7498 -0.0023 O 0 0 0
- -0.1601 -1.5927 -0.0011 C 0 0 0
- -2.4293 -0.8803 0.0009 O 0 0 0
- 1.5994 0.0385 0.0003 C 0 0 0
- 1.1877 -1.2860 -0.0012 C 0 0 0
- 2.9259 0.3377 -0.0002 O 0 0 0
- 0.9677 2.0497 0.0000 H 0 0 0
- -2.3219 2.5122 0.0000 H 0 0 0
- -0.4665 -2.5855 0.0000 H 0 0 0
- -3.4422 -1.1115 0.0000 H 0 0 0
- 1.8933 -2.0486 0.0000 H 0 0 0
- 3.9394 0.5663 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113163-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.1709 -0.3574 0.2231 C 0 0 0
- -1.2399 -0.3380 0.1170 C 0 0 0
- 0.8899 0.8155 0.0485 C 0 0 0
- 0.8916 -1.6109 0.5113 C 0 0 0
- -1.8861 0.8892 -0.1705 C 0 0 0
- -1.9623 -1.4469 0.2827 N 0 0 0
- 0.2350 2.0086 -0.2334 C 0 0 0
- 2.3918 0.7830 0.1695 C 0 0 2
- 2.1877 -1.6987 0.2374 C 0 0 0
- -1.1224 2.0554 -0.3435 C 0 0 0
- -3.2897 0.9115 -0.2776 C 0 0 0
- -3.2703 -1.4311 0.1845 C 0 0 0
- 2.9269 -0.5420 -0.3698 C 0 0 1
- 2.7622 0.9228 1.5425 O 0 0 0
- -3.9690 -0.2597 -0.0968 C 0 0 0
- 2.7719 -0.5756 -1.7900 O 0 0 0
- 0.3479 -2.4813 0.0000 H 0 0 0
- 0.7728 2.8826 0.0000 H 0 0 0
- 2.2185 1.7945 0.0000 H 0 0 0
- 2.6500 -2.6149 0.0000 H 0 0 0
- -1.5947 2.9665 0.0000 H 0 0 0
- -3.7949 1.8048 0.0000 H 0 0 0
- -3.7825 -2.3204 0.0000 H 0 0 0
- 3.9488 -0.6367 0.0000 H 0 0 0
- 3.7223 1.2852 0.0000 H 0 0 0
- -4.9952 -0.2660 0.0000 H 0 0 0
- 1.7689 -0.7930 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 1 0
- 7 10 2 0
- 9 13 1 0
- 12 15 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.0816 -0.1965 -0.2191 C 0 0 0
- -1.1202 0.7567 0.3757 C 0 0 0
- 1.2595 0.0608 0.4183 C 0 0 0
- -0.5043 -1.6425 0.0483 C 0 0 0
- -2.4818 0.4955 -0.2714 C 0 0 0
- 2.1982 0.3949 -0.2640 O 0 0 0
- 0.2023 0.8038 0.0000 H 0 0 0
- -0.2711 1.3569 0.0000 H 0 0 0
- -1.5275 1.7134 0.0000 H 0 0 0
- 1.5326 -0.9425 0.0000 H 0 0 0
- -1.5024 -1.3507 0.0000 H 0 0 0
- -0.7961 -2.6406 0.0000 H 0 0 0
- 0.4938 -1.9343 0.0000 H 0 0 0
- -2.6777 1.5167 0.0000 H 0 0 0
- -3.5030 0.2996 0.0000 H 0 0 0
- -2.2859 -0.5257 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-121-50-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 2.3938 0.0172 -0.0006 C 0 0 0
- 0.8900 0.1151 -0.0008 C 0 0 0
- 2.9449 1.3030 -0.0022 F 0 0 0
- 2.8162 -0.6698 1.1426 F 0 0 0
- 2.8163 -0.6727 -1.1420 F 0 0 0
- 0.1240 -1.0342 0.0006 C 0 0 0
- 0.2789 1.3557 0.0032 C 0 0 0
- -1.2618 -0.9435 0.0004 C 0 0 0
- -1.1006 1.4506 0.0030 C 0 0 0
- -1.8733 0.3047 -0.0013 C 0 0 0
- -2.0397 -2.1045 0.0023 N 0 0 0
- -3.6052 0.4241 -0.0015 Cl 0 0 0
- 0.5843 -1.9661 0.0000 H 0 0 0
- 0.8579 2.2189 0.0000 H 0 0 0
- -1.5568 2.3845 0.0000 H 0 0 0
- -3.0768 -2.0352 0.0000 H 0 0 0
- -1.5812 -3.0373 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 9 10 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23214-92-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 72 1 V2000
- -0.0751 1.9940 0.6790 C 0 0 0
- -0.4882 0.8076 0.1281 C 0 0 0
- 1.2932 2.2665 0.8169 C 0 0 0
- -1.0418 3.0433 1.1650 C 0 0 0
- -1.9437 0.4625 -0.0562 C 0 0 2
- 0.4561 -0.1402 -0.2911 C 0 0 0
- 2.2431 1.3362 0.4042 C 0 0 0
- 1.6943 3.4443 1.3564 O 0 0 0
- -2.4304 2.8126 0.5732 C 0 0 2
- -2.8229 1.3512 0.8207 C 0 0 0
- -2.1523 -0.9053 0.3007 O 0 0 0
- 1.8178 0.1136 -0.1569 C 0 0 0
- 0.0397 -1.3127 -0.8307 O 0 0 0
- 3.6844 1.6119 0.5458 C 0 0 0
- -2.4032 3.0872 -0.9083 C 0 0 0
- -3.3738 3.6793 1.2064 O 0 0 0
- -3.0331 -1.4583 -0.6794 C 0 0 1
- 2.8192 -0.8777 -0.5930 C 0 0 0
- 4.6492 0.5011 0.3927 C 0 0 0
- 4.0752 2.7381 0.7850 O 0 0 0
- -3.6745 3.4521 -1.6305 C 0 0 0
- -1.3626 3.0149 -1.5168 O 0 0 0
- -2.7761 -2.9616 -0.8060 C 0 0 0
- -4.3851 -1.2307 -0.2860 O 0 0 0
- 4.2228 -0.7193 -0.1665 C 0 0 0
- 2.4916 -1.8148 -1.2956 O 0 0 0
- 5.9706 0.6514 0.7952 C 0 0 0
- -3.3920 3.6626 -3.0153 O 0 0 0
- -3.0041 -3.6238 0.5576 C 0 0 1
- -4.5342 -1.7159 1.0469 C 0 0 2
- 5.1331 -1.7688 -0.3108 C 0 0 0
- 6.8634 -0.3984 0.6460 C 0 0 0
- -4.4001 -3.2404 1.0616 C 0 0 1
- -2.9194 -5.0832 0.4135 N 0 0 0
- -5.9116 -1.3200 1.5826 C 0 0 0
- 6.4526 -1.5965 0.0988 C 0 0 0
- 4.7342 -2.9485 -0.8473 O 0 0 0
- -5.3899 -3.8139 0.2052 O 0 0 0
- 5.8783 -3.8046 -0.8594 C 0 0 0
- -0.1916 3.5660 0.0000 H 0 0 0
- -1.3914 3.9781 0.0000 H 0 0 0
- -2.8928 0.1539 0.0000 H 0 0 0
- 2.0160 4.3890 0.0000 H 0 0 0
- -3.7265 1.7750 0.0000 H 0 0 0
- -3.3984 0.5358 0.0000 H 0 0 0
- -0.2943 -2.2532 0.0000 H 0 0 0
- -4.1088 4.3545 0.0000 H 0 0 0
- -3.2284 -0.4796 0.0000 H 0 0 0
- -4.4291 4.1053 0.0000 H 0 0 0
- -4.1499 2.5746 0.0000 H 0 0 0
- -2.0052 -3.5955 0.0000 H 0 0 0
- -1.9130 -2.4606 0.0000 H 0 0 0
- 6.3374 1.5796 0.0000 H 0 0 0
- -2.5917 4.2589 0.0000 H 0 0 0
- -2.0154 -3.7599 0.0000 H 0 0 0
- -3.5417 -1.8207 0.0000 H 0 0 0
- 7.8440 -0.2126 0.0000 H 0 0 0
- -4.2722 -4.2302 0.0000 H 0 0 0
- -3.7534 -5.6315 0.0000 H 0 0 0
- -2.0276 -5.5313 0.0000 H 0 0 0
- -5.6359 -0.3608 0.0000 H 0 0 0
- -6.8708 -1.0443 0.0000 H 0 0 0
- -6.1873 -2.2792 0.0000 H 0 0 0
- 7.0842 -2.3693 0.0000 H 0 0 0
- -6.2534 -4.3142 0.0000 H 0 0 0
- 5.2804 -4.6037 0.0000 H 0 0 0
- 6.6774 -4.4025 0.0000 H 0 0 0
- 6.4762 -3.0055 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 17 11 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 2 0
- 21 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 2 0
- 27 32 1 0
- 29 33 1 0
- 29 34 1 0
- 30 35 1 0
- 31 36 1 0
- 31 37 1 0
- 33 38 1 0
- 37 39 1 0
- 7 12 1 0
- 9 10 1 0
- 19 25 1 0
- 30 33 1 0
- 32 36 2 0
- 4 40 1 0
- 4 41 1 0
- 5 42 1 0
- 8 43 1 0
- 10 44 1 0
- 10 45 1 0
- 13 46 1 0
- 16 47 1 0
- 17 48 1 0
- 21 49 1 0
- 21 50 1 0
- 23 51 1 0
- 23 52 1 0
- 27 53 1 0
- 28 54 1 0
- 29 55 1 0
- 30 56 1 0
- 32 57 1 0
- 33 58 1 0
- 34 59 1 0
- 34 60 1 0
- 35 61 1 0
- 35 62 1 0
- 35 63 1 0
- 36 64 1 0
- 38 65 1 0
- 39 66 1 0
- 39 67 1 0
- 39 68 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23740-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.6122 0.3857 0.0220 C 0 0 0
- -1.3801 -0.7955 0.0089 C 0 0 0
- 0.8593 0.3121 0.0164 C 0 0 0
- -1.2590 1.6201 0.0462 C 0 0 0
- -0.7764 -2.0700 -0.0120 C 0 0 0
- -2.7963 -0.7102 0.0174 C 0 0 0
- 1.5005 -0.9425 -0.0050 C 0 0 0
- 1.6260 1.4777 0.0315 C 0 0 0
- -2.6627 1.6870 0.0595 C 0 0 0
- -0.7660 2.8896 0.0604 O 0 0 0
- 0.6963 -2.1749 -0.0204 C 0 0 0
- -1.5308 -3.1587 -0.0235 N 0 0 0
- -3.4186 0.5495 0.0373 C 0 0 0
- -3.5304 -1.9058 0.0049 C 0 0 0
- 2.8959 -1.0075 -0.0114 C 0 0 0
- 3.0010 1.3972 0.0253 C 0 0 0
- -3.0300 3.0024 0.0825 O 0 0 0
- -1.8626 3.7347 -0.3331 C 0 0 0
- 1.2375 -3.2651 -0.0398 O 0 0 0
- -2.8478 -3.1064 -0.0157 C 0 0 0
- 3.6371 0.1593 0.0038 C 0 0 0
- 4.9949 0.0974 -0.0019 O 0 0 0
- 5.4699 1.4450 0.0169 C 0 0 0
- 1.1571 2.4118 0.0000 H 0 0 0
- -4.4617 0.6162 0.0000 H 0 0 0
- -4.5754 -1.8882 0.0000 H 0 0 0
- 3.3778 -1.9350 0.0000 H 0 0 0
- 3.5714 2.2730 0.0000 H 0 0 0
- -1.1316 4.4817 0.0000 H 0 0 0
- -2.5184 4.5486 0.0000 H 0 0 0
- -3.3912 -3.9992 0.0000 H 0 0 0
- 6.4556 1.0975 0.0000 H 0 0 0
- 5.8174 2.4307 0.0000 H 0 0 0
- 4.4842 1.7925 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 12 20 2 0
- 15 21 2 0
- 21 22 1 0
- 22 23 1 0
- 7 11 1 0
- 9 13 2 0
- 14 20 1 0
- 16 21 1 0
- 17 18 1 0
- 8 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 20 31 1 0
- 23 32 1 0
- 23 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97055-37-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.2682 0.1219 -0.0120 C 0 0 0
- -1.5815 0.3406 -0.0284 C 0 0 0
- 0.6859 1.2765 0.1545 C 0 0 0
- 0.2640 -1.2809 -0.1536 C 0 0 0
- -2.5158 -0.7949 -0.0441 C 0 0 0
- -2.1909 1.9661 -0.0312 Cl 0 0 0
- 1.6768 1.0279 1.6401 Cl 0 0 0
- 1.7707 1.3717 -1.2825 Cl 0 0 0
- 1.3167 -1.3797 -1.6140 Cl 0 0 0
- 1.2253 -1.7096 1.3103 Cl 0 0 0
- -3.0137 -1.2740 1.1132 O 0 0 0
- -2.8390 -1.3013 -1.1006 O 0 0 0
- 0.3060 1.9995 0.0000 H 0 0 0
- -0.3297 -1.8418 0.0000 H 0 0 0
- -3.6022 -1.8403 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 3 13 1 0
- 4 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95152-79-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.3979 0.4225 0.0520 C 0 0 0
- -1.2160 -0.6504 -0.0738 C 0 0 0
- 1.0853 0.3924 0.0475 C 0 0 0
- -1.1676 1.5236 0.1763 N 0 0 0
- -2.5263 -0.1891 -0.0186 N 0 0 0
- -0.7908 -2.0608 -0.2406 N 0 3 0
- 1.8030 1.3887 -0.6112 C 0 0 0
- 1.7662 -0.6295 0.7070 C 0 0 0
- -2.4186 1.1692 0.1318 C 0 0 0
- -3.8005 -0.7105 -0.0796 C 0 0 0
- -0.6171 -2.5166 -1.3567 O 0 0 0
- -0.6151 -2.7638 0.7384 O 0 5 0
- 3.1829 1.3559 -0.6117 C 0 0 0
- 3.1459 -0.6523 0.7000 C 0 0 0
- -4.1166 1.6931 0.1873 S 0 0 0
- -4.8673 0.0817 0.0141 C 0 0 0
- 3.8533 0.3366 0.0399 C 0 0 0
- -6.3284 -0.2849 -0.0286 C 0 0 0
- 5.3333 0.3068 0.0359 N 0 3 0
- 5.9260 -0.5897 0.6090 O 0 0 0
- 5.9584 1.1789 -0.5406 O 0 5 0
- 1.3525 2.2948 0.0000 H 0 0 0
- 1.2813 -1.5176 0.0000 H 0 0 0
- -3.9268 -1.7145 0.0000 H 0 0 0
- 3.6737 2.2408 0.0000 H 0 0 0
- 3.6012 -1.5560 0.0000 H 0 0 0
- -6.5747 0.6966 0.0000 H 0 0 0
- -7.3099 -0.5312 0.0000 H 0 0 0
- -6.0821 -1.2664 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 13 17 2 0
- 16 18 1 0
- 17 19 1 0
- 19 20 2 0
- 19 21 1 0
- 5 9 1 0
- 14 17 1 0
- 15 16 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3722-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- 0.9725 0.9303 -0.1715 C 0 0 0
- 0.9793 -0.4635 0.0003 C 0 0 0
- -0.1048 1.6224 -0.5555 O 0 0 0
- 2.1622 1.6234 0.0523 C 0 0 0
- 2.1565 -1.1496 0.3221 C 0 0 0
- -0.3003 -1.1851 -0.1429 C 0 0 0
- -1.2995 1.0693 -0.3181 C 0 0 0
- 3.3179 0.9463 0.3992 C 0 0 0
- 3.3248 -0.4384 0.5271 C 0 0 0
- 2.1512 -2.5018 0.4324 O 0 0 0
- -1.4923 -0.3043 -0.1201 C 0 0 0
- -0.3704 -2.3944 -0.2684 O 0 0 0
- -2.4209 1.9037 -0.2698 C 0 0 0
- 4.4615 1.6437 0.6174 O 0 0 0
- 2.3799 -3.0240 -0.8779 C 0 0 0
- -2.7625 -0.8321 0.0949 C 0 0 0
- -3.6738 1.3810 -0.0502 C 0 0 0
- 5.1376 1.7318 -0.6385 C 0 0 0
- -3.8563 0.0135 0.1289 C 0 0 0
- -5.1028 -0.4888 0.3356 O 0 0 0
- -6.0035 0.6204 0.3163 C 0 0 0
- 2.1635 2.6492 0.0000 H 0 0 0
- 4.2203 -0.9387 0.0000 H 0 0 0
- -2.2958 2.9219 0.0000 H 0 0 0
- 1.4403 -3.4355 0.0000 H 0 0 0
- 2.7914 -3.9636 0.0000 H 0 0 0
- 3.3195 -2.6125 0.0000 H 0 0 0
- -2.8977 -1.8490 0.0000 H 0 0 0
- -4.4879 2.0052 0.0000 H 0 0 0
- 5.2701 0.7146 0.0000 H 0 0 0
- 6.1548 1.8643 0.0000 H 0 0 0
- 5.0051 2.7490 0.0000 H 0 0 0
- -5.2072 1.2670 0.0000 H 0 0 0
- -6.6501 1.4167 0.0000 H 0 0 0
- -6.7998 -0.0262 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 1 0
- 13 17 2 0
- 14 18 1 0
- 16 19 2 0
- 19 20 1 0
- 20 21 1 0
- 7 11 2 0
- 8 9 1 0
- 17 19 1 0
- 4 22 1 0
- 9 23 1 0
- 13 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.0000 0.0000 0.3982 N 0 0 0
- -0.0480 -1.3601 -0.1549 C 0 0 0
- 1.2018 0.6385 -0.1548 C 0 0 0
- -1.1538 0.7216 -0.1548 C 0 0 0
- -1.0680 -1.3241 0.0000 H 0 0 0
- -0.0840 -2.3801 0.0000 H 0 0 0
- 0.9720 -1.3961 0.0000 H 0 0 0
- 1.6807 -0.2628 0.0000 H 0 0 0
- 2.1031 1.1174 0.0000 H 0 0 0
- 0.7229 1.5398 0.0000 H 0 0 0
- -0.6126 1.5870 0.0000 H 0 0 0
- -2.0192 1.2628 0.0000 H 0 0 0
- -1.6950 -0.1438 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1734-79-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.8537 -0.0090 0.0037 C 0 0 0
- -1.4158 -1.3224 0.0028 C 0 0 0
- -0.9420 1.0324 0.0032 C 0 0 0
- -3.3047 0.2831 -0.0010 N 0 3 0
- -0.0663 -1.6030 0.0014 C 0 0 0
- 0.4114 0.7688 0.0018 C 0 0 0
- -3.6936 1.4374 -0.0003 O 0 0 0
- -4.1099 -0.6307 -0.0057 O 0 5 0
- 0.8622 -0.5558 0.0009 C 0 0 0
- 2.3036 -0.8460 -0.0001 C 0 0 0
- 3.1984 0.1696 -0.0005 C 0 0 0
- 4.5809 -0.1087 -0.0015 C 0 0 0
- 5.3837 0.8025 -0.0019 O 0 0 0
- -2.1057 -2.0980 0.0000 H 0 0 0
- -1.2781 2.0146 0.0000 H 0 0 0
- 0.2604 -2.5883 0.0000 H 0 0 0
- 1.0940 1.5509 0.0000 H 0 0 0
- 2.6350 -1.8297 0.0000 H 0 0 0
- 2.8670 1.1533 0.0000 H 0 0 0
- 4.9123 -1.0924 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 6 9 2 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-768-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.2340 0.0550 -0.3375 C 0 0 0
- 0.7882 -1.1702 0.0101 C 0 0 0
- 1.0292 1.1941 -0.3536 C 0 0 0
- -1.1184 0.1406 -0.6759 N 0 0 0
- 2.1273 -1.2524 0.3386 C 0 0 0
- 2.3672 1.1049 -0.0241 C 0 0 0
- -2.1447 -0.1073 0.3398 C 0 0 0
- 2.9159 -0.1167 0.3217 C 0 0 0
- -2.8274 1.2116 0.7075 C 0 0 0
- -3.1850 -1.0830 -0.2141 C 0 0 0
- 0.2135 -2.0037 0.0000 H 0 0 0
- 0.5912 2.1069 0.0000 H 0 0 0
- -1.2063 1.1492 0.0000 H 0 0 0
- 2.5688 -2.1635 0.0000 H 0 0 0
- 2.9452 1.9361 0.0000 H 0 0 0
- -1.6636 -0.9981 0.0000 H 0 0 0
- 3.9240 -0.2101 0.0000 H 0 0 0
- -1.9283 1.6770 0.0000 H 0 0 0
- -3.2928 2.1107 0.0000 H 0 0 0
- -3.7265 0.7462 0.0000 H 0 0 0
- -3.8776 -0.3445 0.0000 H 0 0 0
- -3.9235 -1.7756 0.0000 H 0 0 0
- -2.4924 -1.8215 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64896-26-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.5797 -0.3422 0.0013 C 0 0 0
- -2.5548 0.6558 -0.0058 C 0 0 0
- -0.2579 -0.0048 -0.0013 N 0 0 0
- -1.9588 -1.6912 0.0170 C 0 0 0
- -3.9029 0.3045 -0.0026 C 0 0 0
- 0.6434 -0.9278 0.0053 N 0 0 0
- -3.2911 -2.0365 0.0255 C 0 0 0
- -4.2702 -1.0510 0.0078 C 0 0 0
- -4.9405 1.3521 -0.0096 C 0 0 0
- 1.9674 -0.5898 0.0026 C 0 0 0
- -5.5802 -1.3977 0.0114 O 0 0 0
- -4.5908 2.6475 0.1140 O 0 0 0
- -6.1108 1.0473 -0.1269 O 0 0 0
- 2.9447 -1.5903 0.0098 C 0 0 0
- 2.3457 0.7566 -0.0130 C 0 0 0
- 4.2775 -1.2465 0.0072 C 0 0 0
- 3.6684 1.0968 -0.0156 C 0 0 0
- 4.6492 0.1010 -0.0026 C 0 0 0
- 6.0781 0.4724 -0.0055 C 0 0 0
- 6.4366 1.7711 -0.0149 O 0 0 0
- 6.9307 -0.3930 0.0007 O 0 0 0
- -2.2771 1.6550 0.0000 H 0 0 0
- -1.2330 -2.4320 0.0000 H 0 0 0
- -3.5653 -3.0367 0.0000 H 0 0 0
- -6.5828 -1.6630 0.0000 H 0 0 0
- -4.3205 3.6488 0.0000 H 0 0 0
- 2.6657 -2.5892 0.0000 H 0 0 0
- 1.6205 1.4980 0.0000 H 0 0 0
- 5.0047 -1.9859 0.0000 H 0 0 0
- 3.9456 2.0962 0.0000 H 0 0 0
- 6.7126 2.7708 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 10 14 2 0
- 10 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 7 8 2 0
- 17 18 1 0
- 2 22 1 0
- 4 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.0000 -1.4931 0.0000 S 0 0 0
- -1.4200 -0.4500 -0.0002 C 0 0 0
- 1.4200 -0.4500 0.0002 C 0 0 0
- -0.0002 -2.1452 1.2626 O 0 0 0
- 0.0002 -2.1453 -1.2625 O 0 0 0
- -1.9759 -0.0414 -1.1982 C 0 0 0
- -1.9799 -0.0459 1.1980 C 0 0 0
- 1.9759 -0.0414 1.1982 C 0 0 0
- 1.9799 -0.0460 -1.1980 C 0 0 0
- -3.0897 0.7762 -1.2011 C 0 0 0
- -3.0933 0.7714 1.2005 C 0 0 0
- 3.0897 0.7762 1.2011 C 0 0 0
- 3.0933 0.7714 -1.2005 C 0 0 0
- -3.6500 1.1872 -0.0006 C 0 0 0
- 3.6500 1.1872 0.0006 C 0 0 0
- -4.7453 1.9917 -0.0008 O 0 0 0
- 4.7453 1.9917 0.0007 O 0 0 0
- -1.6674 0.3786 0.0000 H 0 0 0
- -2.2866 -0.4673 0.0000 H 0 0 0
- 1.6674 0.3786 0.0000 H 0 0 0
- 2.2866 -0.4674 0.0000 H 0 0 0
- -2.7814 1.1964 0.0000 H 0 0 0
- -3.4034 0.3526 0.0000 H 0 0 0
- 2.7814 1.1964 0.0000 H 0 0 0
- 3.4034 0.3526 0.0000 H 0 0 0
- -5.1653 2.3002 0.0000 H 0 0 0
- 5.1653 2.3002 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 11 14 1 0
- 13 15 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105708-80-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- -5.2722 -0.1148 -0.4826 C 0 0 0
- -6.1476 -0.9444 0.3473 C 0 0 0
- -4.0078 -0.6890 -0.9652 C 0 0 0
- -5.6347 1.1814 -0.8082 C 0 0 0
- -7.3508 -0.4334 0.8203 C 0 0 0
- -5.7406 -2.3112 0.6694 C 0 0 0
- -3.6756 -2.0150 -0.6173 C 0 0 0
- -3.1372 0.0585 -1.7599 C 0 0 0
- -6.8462 1.6990 -0.3397 C 0 0 0
- -7.7196 0.8753 0.4994 C 0 0 0
- -8.2528 -1.2869 1.6742 C 0 0 0
- -4.5762 -2.8091 0.2125 C 0 0 0
- -2.4694 -2.5609 -1.0785 C 0 0 0
- -1.9603 -0.5057 -2.1977 C 0 0 0
- -7.2471 3.0135 -0.6513 C 0 0 0
- -8.9320 1.4266 0.9618 C 0 0 0
- -7.9130 -1.1096 3.0509 O 0 0 0
- -1.6336 -1.8112 -1.8538 C 0 0 0
- -8.4314 3.4829 -0.1783 C 0 0 0
- -9.2574 2.7032 0.6300 C 0 0 0
- 10.0038 0.1746 -0.3008 S 0 0 0
- 9.0938 -0.6879 0.5620 O 0 0 0
- 11.1283 -0.6380 -0.6081 O 0 0 0
- 9.1546 0.7982 -1.2543 O 0 0 0
- 10.5336 1.2982 0.5785 O 0 0 0
- 20.3529 0.5364 1.4720 Na 0 3 0
- -4.8987 1.8267 0.0000 H 0 0 0
- -6.4713 -2.9626 0.0000 H 0 0 0
- -3.2653 1.0289 0.0000 H 0 0 0
- -9.1612 -0.9223 0.0000 H 0 0 0
- -8.2043 -2.2646 0.0000 H 0 0 0
- -4.4209 -3.7756 0.0000 H 0 0 0
- -2.3201 -3.5283 0.0000 H 0 0 0
- -1.2019 0.1132 0.0000 H 0 0 0
- -6.5274 3.6769 0.0000 H 0 0 0
- -9.6827 0.7984 0.0000 H 0 0 0
- -7.0452 -0.6568 0.0000 H 0 0 0
- -0.6977 -2.0979 0.0000 H 0 0 0
- -8.6159 4.4442 0.0000 H 0 0 0
- -10.1975 2.9759 0.0000 H 0 0 0
- 8.3833 -1.3613 0.0000 H 0 0 0
- 10.9511 2.1836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 21 22 1 0
- 21 23 2 0
- 21 24 2 0
- 21 25 1 0
- 7 12 1 0
- 9 10 2 0
- 14 18 1 0
- 19 20 1 0
- 4 27 1 0
- 6 28 1 0
- 8 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 22 41 1 0
- 25 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7570-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.5169 0.3049 -0.0015 C 0 0 0
- 1.0570 0.5020 -0.0015 C 0 0 0
- 3.3732 1.4099 -0.0014 C 0 0 0
- 3.0497 -0.9879 0.0044 C 0 0 0
- 0.2360 -0.5608 -0.0015 C 0 0 0
- 4.7379 1.2215 -0.0014 C 0 0 0
- 4.4150 -1.1681 0.0044 C 0 0 0
- -1.2245 -0.3636 -0.0016 C 0 0 0
- 5.2639 -0.0659 -0.0014 C 0 0 0
- -2.0818 -1.4675 -0.0016 C 0 0 0
- -1.7583 0.9277 0.0042 C 0 0 0
- 6.6463 -0.2526 -0.0014 N 0 0 0
- -3.4472 -1.2759 -0.0012 C 0 0 0
- -3.1260 1.1051 0.0046 C 0 0 0
- -3.9697 0.0070 -0.0007 C 0 0 0
- -5.6901 0.2393 -0.0007 Cl 0 0 0
- 0.6609 1.4673 0.0000 H 0 0 0
- 2.9792 2.3761 0.0000 H 0 0 0
- 2.4136 -1.8150 0.0000 H 0 0 0
- 0.6321 -1.5261 0.0000 H 0 0 0
- 5.3777 2.0458 0.0000 H 0 0 0
- 4.8133 -2.1325 0.0000 H 0 0 0
- -1.6894 -2.4343 0.0000 H 0 0 0
- -1.1236 1.7559 0.0000 H 0 0 0
- 7.0424 -1.2179 0.0000 H 0 0 0
- 7.2843 0.5731 0.0000 H 0 0 0
- -4.0884 -2.0991 0.0000 H 0 0 0
- -3.5259 2.0688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 7 9 1 0
- 14 15 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-69-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.2646 0.0001 0.0032 C 0 0 0
- 0.4316 -1.2022 0.0029 C 0 0 0
- 0.4313 1.2020 0.0008 C 0 0 0
- -1.6614 0.0000 0.0000 N 0 0 0
- 1.8125 -1.1985 0.0002 C 0 0 0
- 1.8126 1.1985 -0.0018 C 0 0 0
- -2.3939 1.2687 0.0003 C 0 0 0
- -2.3938 -1.2687 -0.0036 C 0 0 0
- 2.5024 0.0002 -0.0021 C 0 0 0
- -0.0874 -2.1053 0.0000 H 0 0 0
- -0.0878 2.1050 0.0000 H 0 0 0
- 2.3351 -2.0995 0.0000 H 0 0 0
- 2.3351 2.0996 0.0000 H 0 0 0
- -1.4918 1.7895 0.0000 H 0 0 0
- -2.9147 2.1708 0.0000 H 0 0 0
- -3.2960 0.7479 0.0000 H 0 0 0
- -3.2959 -0.7479 0.0000 H 0 0 0
- -2.9146 -2.1708 0.0000 H 0 0 0
- -1.4917 -1.7895 0.0000 H 0 0 0
- 3.5440 0.0002 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3366-65-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.3646 -0.3485 0.0011 C 0 0 0
- -1.1007 -0.3830 0.0007 C 0 0 0
- 1.0130 0.9077 0.0004 C 0 0 0
- 1.1209 -1.5228 -0.0036 C 0 0 0
- -1.8092 0.8399 -0.0004 C 0 0 0
- -1.8031 -1.5899 0.0018 C 0 0 0
- 2.4133 0.9556 0.0007 C 0 0 0
- 0.2465 2.0965 -0.0002 C 0 0 0
- 2.4831 -1.4557 -0.0035 C 0 0 0
- -1.1015 2.0641 -0.0015 C 0 0 0
- -3.2111 0.8176 -0.0008 C 0 0 0
- -3.1688 -1.5779 0.0019 C 0 0 0
- 3.1359 -0.2210 0.0018 C 0 0 0
- -3.8691 -0.3773 -0.0002 C 0 0 0
- 4.5315 -0.1760 0.0017 N 0 0 0
- 0.6421 -2.4545 0.0000 H 0 0 0
- -1.2849 -2.5002 0.0000 H 0 0 0
- 2.9090 1.8784 0.0000 H 0 0 0
- 0.7367 3.0222 0.0000 H 0 0 0
- 3.0456 -2.3394 0.0000 H 0 0 0
- -1.6359 2.9650 0.0000 H 0 0 0
- -3.7512 1.7151 0.0000 H 0 0 0
- -3.6945 -2.4839 0.0000 H 0 0 0
- -4.9165 -0.3902 0.0000 H 0 0 0
- 5.0842 -1.0658 0.0000 H 0 0 0
- 5.0257 0.7476 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 11 14 2 0
- 13 15 1 0
- 8 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7379-35-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.4024 -0.0001 0.0030 C 0 0 0
- 0.3082 -1.1921 0.0019 C 0 0 0
- 0.3085 1.1923 0.0016 C 0 0 0
- -2.1384 0.0000 -0.0011 Cl 0 0 0
- 1.6893 -1.1522 -0.0005 C 0 0 0
- 1.6892 1.1522 -0.0008 C 0 0 0
- 2.3311 -0.0001 -0.0017 N 0 0 0
- -0.1906 -2.1004 0.0000 H 0 0 0
- -0.1902 2.1007 0.0000 H 0 0 0
- 2.2271 -2.0379 0.0000 H 0 0 0
- 2.2271 2.0379 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 6 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- 0.0000 0.0000 -0.2718 C 0 0 0
- 0.0000 0.0000 -1.6708 F 0 0 0
- -0.0161 1.6998 0.3292 Cl 0 0 0
- -1.4640 -0.8639 0.3292 Cl 0 0 0
- 1.4801 -0.8360 0.3292 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98911-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.2345 1.4635 -0.0136 C 0 0 0
- 0.9098 2.1869 0.1113 O 0 0 0
- -0.7940 0.8527 1.0997 C 0 0 0
- -0.8455 1.3411 -1.2531 C 0 0 0
- 1.9393 1.3001 0.0899 C 0 0 0
- -1.9560 0.1181 0.9734 C 0 0 0
- -2.0079 0.6065 -1.3806 C 0 0 0
- 3.2482 1.7565 0.0236 C 0 0 0
- 1.6836 -0.0626 0.1398 C 0 0 0
- -2.5650 -0.0096 -0.2682 C 0 0 0
- 4.2931 0.8536 0.0018 C 0 0 0
- 2.7317 -0.9624 0.1178 C 0 0 0
- -3.7442 -0.7550 -0.3970 N 0 0 0
- 4.0356 -0.5055 0.0460 C 0 0 0
- -4.7663 -0.5524 0.4579 C 0 0 0
- -3.8623 -1.7212 -1.4253 O 0 0 0
- 5.3507 -1.6383 0.0185 Cl 0 0 0
- -5.9640 0.2523 0.0232 C 0 0 0
- -4.7220 -1.0177 1.5772 O 0 0 0
- -0.1325 0.0617 0.0000 H 0 0 0
- -1.2286 2.2985 0.0000 H 0 0 0
- -1.5685 -0.8375 0.0000 H 0 0 0
- -2.6719 1.3954 0.0000 H 0 0 0
- 3.4415 2.7694 0.0000 H 0 0 0
- 0.7108 -0.4045 0.0000 H 0 0 0
- 5.2668 1.1931 0.0000 H 0 0 0
- 2.5408 -1.9758 0.0000 H 0 0 0
- -3.9874 -2.7448 0.0000 H 0 0 0
- -5.3889 1.1082 0.0000 H 0 0 0
- -6.8199 0.8274 0.0000 H 0 0 0
- -6.5391 -0.6036 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 2 0
- 7 10 2 0
- 12 14 2 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2272-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 63 1 V2000
- -2.2494 -1.7007 -0.8504 C 0 0 0
- -3.5356 -1.0891 -0.2913 C 0 0 0
- -1.1189 -1.5283 0.1660 C 0 0 0
- -4.6491 -1.2590 -1.2925 C 0 0 0
- 0.1673 -2.1399 -0.3930 C 0 0 0
- -5.8729 -1.4785 -0.8801 C 0 0 0
- 1.2977 -1.9675 0.6234 C 0 0 0
- -6.5676 -0.4642 -0.0085 C 0 0 0
- 2.5839 -2.5791 0.0644 C 0 0 0
- -7.9446 -0.1459 -0.5946 C 0 0 0
- 3.7144 -2.4066 1.0808 C 0 0 0
- -8.6499 0.8838 0.2902 C 0 0 0
- 4.9812 -3.0090 0.5301 C 0 0 0
- -10.0269 1.2021 -0.2959 C 0 0 0
- 6.1110 -2.9741 1.2542 O 0 0 0
- 4.9800 -3.5235 -0.5631 O 0 0 0
- -10.7322 2.2318 0.5890 C 0 0 0
- -12.1092 2.5501 0.0028 C 0 0 0
- -12.8145 3.5798 0.8877 C 0 0 0
- -14.1915 3.8981 0.3016 C 0 0 0
- 16.5773 2.4036 0.4624 C 0 0 0
- 15.3164 2.7685 -0.3238 C 0 0 0
- 17.2807 3.6314 0.8570 N 0 0 0
- 15.6806 3.5055 -1.4927 O 0 0 0
- -2.9004 -2.3733 0.0000 H 0 0 0
- -1.8200 -2.5325 0.0000 H 0 0 0
- -2.8846 -0.4165 0.0000 H 0 0 0
- -3.9650 -0.2573 0.0000 H 0 0 0
- -0.4679 -0.8557 0.0000 H 0 0 0
- -1.5483 -0.6965 0.0000 H 0 0 0
- -4.8023 -0.3356 0.0000 H 0 0 0
- -0.4837 -2.8125 0.0000 H 0 0 0
- 0.5967 -2.9717 0.0000 H 0 0 0
- -6.2343 -2.3420 0.0000 H 0 0 0
- 1.9487 -1.2949 0.0000 H 0 0 0
- 0.8683 -1.1357 0.0000 H 0 0 0
- -5.6804 -0.1656 0.0000 H 0 0 0
- -6.6132 0.4708 0.0000 H 0 0 0
- 1.9329 -3.2517 0.0000 H 0 0 0
- 3.0133 -3.4109 0.0000 H 0 0 0
- -8.8318 -0.4445 0.0000 H 0 0 0
- -7.8990 -1.0809 0.0000 H 0 0 0
- 4.3654 -1.7340 0.0000 H 0 0 0
- 3.2850 -1.5748 0.0000 H 0 0 0
- -7.7627 1.1824 0.0000 H 0 0 0
- -8.6955 1.8188 0.0000 H 0 0 0
- -10.9141 0.9035 0.0000 H 0 0 0
- -9.9813 0.2671 0.0000 H 0 0 0
- 7.0466 -2.9452 0.0000 H 0 0 0
- -9.8450 2.5304 0.0000 H 0 0 0
- -10.7778 3.1668 0.0000 H 0 0 0
- -12.9964 2.2515 0.0000 H 0 0 0
- -12.0636 1.6151 0.0000 H 0 0 0
- -11.9273 3.8784 0.0000 H 0 0 0
- -12.8601 4.5148 0.0000 H 0 0 0
- -13.9807 4.8101 0.0000 H 0 0 0
- -15.1035 4.1089 0.0000 H 0 0 0
- -14.4023 2.9861 0.0000 H 0 0 0
- 16.2465 1.5279 0.0000 H 0 0 0
- 17.4239 2.0043 0.0000 H 0 0 0
- 14.4542 3.1329 0.0000 H 0 0 0
- 15.0035 1.8863 0.0000 H 0 0 0
- 18.2168 3.6345 0.0000 H 0 0 0
- 16.8100 4.4405 0.0000 H 0 0 0
- 16.0953 4.3447 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 1 25 1 0
- 1 26 1 0
- 2 27 1 0
- 2 28 1 0
- 3 29 1 0
- 3 30 1 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 11 43 1 0
- 11 44 1 0
- 12 45 1 0
- 12 46 1 0
- 14 47 1 0
- 14 48 1 0
- 15 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 19 54 1 0
- 19 55 1 0
- 20 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-816-57-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- -0.1286 -0.2815 -0.2546 N 0 0 0
- 1.2475 -0.1764 -0.7462 C 0 0 0
- -0.8531 0.8338 -0.0362 C 0 0 0
- -0.6486 -1.4415 -0.0358 N 0 0 0
- 2.2061 -0.0657 0.4411 C 0 0 0
- -1.8034 1.2034 -0.9176 N 0 0 0
- -0.6496 1.5060 0.9551 O 0 0 0
- -1.7774 -1.5280 0.4133 O 0 0 0
- 3.6432 0.0439 -0.0724 C 0 0 0
- 0.8681 -0.9939 0.0000 H 0 0 0
- 1.7753 -0.9069 0.0000 H 0 0 0
- 2.5855 0.7518 0.0000 H 0 0 0
- 1.6783 0.6649 0.0000 H 0 0 0
- -1.9405 2.0942 0.0000 H 0 0 0
- -2.5063 0.6393 0.0000 H 0 0 0
- 3.7117 -0.8547 0.0000 H 0 0 0
- 4.5418 0.1124 0.0000 H 0 0 0
- 3.5747 0.9425 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 2 10 1 0
- 2 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82017-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.1954 0.0218 0.0756 C 0 0 1
- -0.5387 -1.1267 -0.5688 N 0 0 0
- -0.9146 1.2842 -0.7298 C 0 0 0
- -2.6823 -0.2170 0.1332 C 0 0 0
- 0.6873 -1.5066 -0.2598 C 0 0 0
- 0.5490 2.1410 -0.1074 S 0 0 0
- -3.4891 0.7041 0.6830 O 0 0 0
- -3.1480 -1.2375 -0.3157 O 0 0 0
- 1.5667 -0.5860 0.5616 C 0 0 0
- 1.1061 -2.5828 -0.6306 O 0 0 0
- 2.0468 0.8151 -0.4800 S 0 0 0
- 0.7902 -0.0816 1.7797 C 0 0 0
- 2.8157 -1.3403 1.0219 C 0 0 0
- -0.2364 0.1670 0.0000 H 0 0 0
- -1.1455 -1.8834 0.0000 H 0 0 0
- -1.1828 2.2163 0.0000 H 0 0 0
- -1.8841 1.2545 0.0000 H 0 0 0
- -4.1282 1.4337 0.0000 H 0 0 0
- 1.3186 0.7318 0.0000 H 0 0 0
- -0.0232 0.4468 0.0000 H 0 0 0
- 0.2618 -0.8950 0.0000 H 0 0 0
- 2.3143 -2.1706 0.0000 H 0 0 0
- 3.6460 -1.8417 0.0000 H 0 0 0
- 3.3171 -0.5100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 1 0
- 9 13 1 0
- 9 11 1 0
- 1 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 7 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-214-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.6552 -0.4246 -0.0006 C 0 0 0
- -0.7761 -0.0962 -0.0004 C 0 0 0
- 1.5861 0.6293 -0.0003 C 0 0 0
- 1.0923 -1.7591 0.0048 C 0 0 0
- -1.1629 1.3171 0.0000 C 0 0 0
- -1.7414 -1.0904 -0.0012 C 0 0 0
- 3.0124 0.2971 -0.0005 C 0 0 0
- 1.1554 1.9693 0.0006 C 0 0 0
- 2.4095 -2.0721 0.0046 C 0 0 0
- -2.5089 1.6713 0.0006 C 0 0 0
- -0.1511 2.3077 0.0003 C 0 0 0
- -3.0936 -0.7387 -0.0015 C 0 0 0
- 3.3966 -1.0646 -0.0009 C 0 0 0
- 3.9931 1.2932 -0.0007 C 0 0 0
- -3.4849 0.6736 0.0007 C 0 0 0
- -4.1032 -1.7226 -0.0027 C 0 0 0
- 4.7620 -1.3898 -0.0011 C 0 0 0
- 5.3120 0.9426 -0.0014 C 0 0 0
- -4.8580 0.9965 0.0017 C 0 0 0
- -5.4079 -1.3441 -0.0034 C 0 0 0
- 5.6938 -0.3950 -0.0009 C 0 0 0
- -5.7805 -0.0005 0.0022 C 0 0 0
- 0.3810 -2.5322 0.0000 H 0 0 0
- -1.4583 -2.1021 0.0000 H 0 0 0
- 1.8766 2.7332 0.0000 H 0 0 0
- 2.7010 -3.0814 0.0000 H 0 0 0
- -2.7886 2.6839 0.0000 H 0 0 0
- -0.4219 3.3227 0.0000 H 0 0 0
- 3.7162 2.3066 0.0000 H 0 0 0
- -3.8483 -2.7418 0.0000 H 0 0 0
- 5.0646 -2.3958 0.0000 H 0 0 0
- 6.0480 1.6922 0.0000 H 0 0 0
- -5.1651 2.0012 0.0000 H 0 0 0
- -6.1551 -2.0825 0.0000 H 0 0 0
- 6.7149 -0.6420 0.0000 H 0 0 0
- -6.8014 0.2472 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 10 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 11 1 0
- 9 13 1 0
- 12 15 1 0
- 18 21 2 0
- 20 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3365-85-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -1.3861 0.0009 -0.0016 C 0 0 0
- -2.8687 0.0010 -0.0017 C 0 0 0
- -0.6887 1.2086 0.0006 C 0 0 0
- -0.6886 -1.2073 0.0020 C 0 0 0
- -3.5669 -0.9259 -0.7747 C 0 0 0
- -3.5671 0.9244 0.7759 C 0 0 0
- 0.6888 1.2085 0.0011 C 0 0 0
- 0.6885 -1.2073 0.0026 C 0 0 0
- -4.9456 -0.9242 -0.7728 C 0 0 0
- -4.9453 0.9223 0.7747 C 0 0 0
- 1.3861 0.0007 -0.0005 C 0 0 0
- -5.6395 0.0005 -0.0011 C 0 0 0
- 2.8687 0.0006 0.0000 C 0 0 0
- -7.0352 0.0003 -0.0008 N 0 0 0
- 3.5666 -0.9288 0.7702 C 0 0 0
- 3.5674 0.9266 -0.7742 C 0 0 0
- 4.9452 -0.9270 0.7692 C 0 0 0
- 4.9457 0.9247 -0.7721 C 0 0 0
- 5.6395 0.0005 0.0012 C 0 0 0
- 7.0352 0.0008 0.0021 N 0 0 0
- -1.2055 2.1038 0.0000 H 0 0 0
- -1.2055 -2.1025 0.0000 H 0 0 0
- -3.1062 -1.8512 0.0000 H 0 0 0
- -3.1074 1.8502 0.0000 H 0 0 0
- 1.2057 2.1037 0.0000 H 0 0 0
- 1.2053 -2.1025 0.0000 H 0 0 0
- -5.4083 -1.8485 0.0000 H 0 0 0
- -5.4074 1.8470 0.0000 H 0 0 0
- -7.5522 0.8954 0.0000 H 0 0 0
- -7.5519 -0.8950 0.0000 H 0 0 0
- 3.1052 -1.8538 0.0000 H 0 0 0
- 3.1071 1.8521 0.0000 H 0 0 0
- 5.4085 -1.8510 0.0000 H 0 0 0
- 5.4084 1.8490 0.0000 H 0 0 0
- 7.5522 -0.8943 0.0000 H 0 0 0
- 7.5519 0.8961 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 8 11 1 0
- 10 12 1 0
- 18 19 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-835-71-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.0900 0.0132 -0.0024 C 0 0 0
- -1.3883 0.0112 -0.0022 C 0 0 0
- 0.8388 1.0865 -0.0018 N 0 0 0
- 0.8633 -1.0890 0.0025 O 0 0 0
- -2.0874 -1.1966 -0.0030 C 0 0 0
- -2.0909 1.2174 0.0046 C 0 0 0
- 2.1429 0.7090 -0.0023 C 0 0 0
- 2.1563 -0.6953 0.0005 C 0 0 0
- -3.4672 -1.1914 -0.0023 C 0 0 0
- -3.4702 1.2085 0.0052 C 0 0 0
- 3.3507 1.4116 -0.0016 C 0 0 0
- 3.3657 -1.3730 0.0042 C 0 0 0
- -4.1575 0.0075 -0.0008 C 0 0 0
- 4.5418 0.7215 -0.0019 C 0 0 0
- 4.5501 -0.6658 0.0014 C 0 0 0
- -5.6645 0.0054 -0.0006 C 0 0 0
- -1.5707 -2.0965 0.0000 H 0 0 0
- -1.5767 2.1187 0.0000 H 0 0 0
- -3.9883 -2.0888 0.0000 H 0 0 0
- -3.9937 2.1045 0.0000 H 0 0 0
- 3.3498 2.4493 0.0000 H 0 0 0
- 3.3800 -2.4106 0.0000 H 0 0 0
- 5.4393 1.2424 0.0000 H 0 0 0
- 5.4541 -1.1753 0.0000 H 0 0 0
- -5.6659 1.0431 0.0000 H 0 0 0
- -6.7022 0.0040 0.0000 H 0 0 0
- -5.6631 -1.0323 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 11 14 2 0
- 12 15 2 0
- 13 16 1 0
- 7 8 2 0
- 10 13 1 0
- 14 15 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53-96-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.7153 -0.3586 -0.2163 C 0 0 0
- -2.1903 -0.4083 -0.0639 C 0 0 0
- -0.2819 0.9605 -0.1025 C 0 0 0
- 0.2194 -1.3730 -0.4348 C 0 0 0
- -2.6790 0.8784 0.1451 C 0 0 0
- -3.0819 -1.4825 -0.0991 C 0 0 0
- -1.4999 1.8201 0.1329 C 0 0 0
- 1.0570 1.2645 -0.2090 C 0 0 0
- 1.5585 -1.0660 -0.5421 C 0 0 0
- -4.0310 1.0890 0.3159 C 0 0 0
- -4.4325 -1.2622 0.0724 C 0 0 0
- 1.9839 0.2522 -0.4313 C 0 0 0
- -4.9086 0.0201 0.2803 C 0 0 0
- 3.3435 0.5600 -0.5396 N 0 0 0
- 4.2410 -0.0660 0.2472 C 0 0 0
- 5.7156 0.1658 0.0404 C 0 0 0
- 3.8618 -0.8161 1.1217 O 0 0 0
- -0.0868 -2.3612 0.0000 H 0 0 0
- -2.7192 -2.4514 0.0000 H 0 0 0
- -0.8266 2.6055 0.0000 H 0 0 0
- -2.2186 2.5642 0.0000 H 0 0 0
- 1.3658 2.2519 0.0000 H 0 0 0
- 2.2576 -1.8286 0.0000 H 0 0 0
- -4.3997 2.0556 0.0000 H 0 0 0
- -5.0898 -2.0611 0.0000 H 0 0 0
- -5.9289 0.1910 0.0000 H 0 0 0
- 3.5421 1.5753 0.0000 H 0 0 0
- 5.8763 -0.8562 0.0000 H 0 0 0
- 6.7376 0.3265 0.0000 H 0 0 0
- 5.5549 1.1878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 2 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105361-86-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.0693 -0.3841 0.0737 C 0 0 0
- -1.5157 -0.0560 0.0185 C 0 0 0
- 0.8757 0.6117 -0.1256 C 0 0 0
- 0.3401 -1.6946 0.3320 C 0 0 0
- -2.4093 -0.9351 -0.5900 C 0 0 0
- -1.9855 1.1292 0.5799 C 0 0 0
- 2.2454 0.2913 -0.0715 C 0 0 0
- 1.6870 -2.0110 0.3855 C 0 0 0
- -3.7533 -0.6253 -0.6381 C 0 0 0
- -3.3319 1.4291 0.5261 C 0 0 0
- 2.6396 -1.0383 0.1848 C 0 0 0
- 3.1670 1.2417 -0.2622 N 0 0 0
- -4.2137 0.5555 -0.0836 C 0 0 0
- 4.3511 0.9602 -0.2145 O 0 0 0
- 0.5804 1.5981 0.0000 H 0 0 0
- -0.3612 -2.4484 0.0000 H 0 0 0
- -2.1294 -1.9259 0.0000 H 0 0 0
- -1.3173 1.9125 0.0000 H 0 0 0
- 1.9741 -2.9998 0.0000 H 0 0 0
- -4.4266 -1.4042 0.0000 H 0 0 0
- -3.6172 2.4184 0.0000 H 0 0 0
- 3.6389 -1.2864 0.0000 H 0 0 0
- -5.2209 0.7693 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 8 11 2 0
- 10 13 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106589-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -1.1885 0.1813 -0.0149 C 0 0 0
- -2.4824 -0.5121 -0.0124 C 0 0 0
- -1.1578 1.5995 0.0400 C 0 0 0
- 0.0031 -0.5329 -0.0759 C 0 0 0
- -3.6706 0.2474 0.0423 C 0 0 0
- -2.5554 -1.9053 -0.0628 C 0 0 0
- -0.0007 2.2501 0.0419 N 0 0 0
- -2.4148 2.3442 0.0944 C 0 0 0
- 1.1999 0.1877 -0.0733 C 0 0 0
- -3.6006 1.7044 0.0954 C 0 0 0
- -4.9074 -0.4105 0.0453 C 0 0 0
- -3.7852 -2.5237 -0.0579 C 0 0 0
- 1.1641 1.6072 -0.0080 C 0 0 0
- 2.4941 -0.4816 -0.1368 C 0 0 0
- -4.9531 -1.7737 -0.0045 C 0 0 0
- 2.3797 2.3195 -0.0023 C 0 0 0
- 3.6508 0.2834 -0.1292 C 0 0 0
- 2.5958 -1.9489 -0.2075 C 0 0 0
- 3.5722 1.6697 -0.0571 C 0 0 0
- 4.9885 -0.4063 -0.1966 C 0 0 0
- 3.7404 -2.5415 0.1145 C 0 0 0
- 4.9278 -1.7326 0.5583 C 0 0 0
- 0.0042 -1.5799 0.0000 H 0 0 0
- -1.6788 -2.4779 0.0000 H 0 0 0
- -2.3938 3.3910 0.0000 H 0 0 0
- -4.4866 2.2624 0.0000 H 0 0 0
- -5.7958 0.1436 0.0000 H 0 0 0
- -3.8401 -3.5693 0.0000 H 0 0 0
- -5.8803 -2.2602 0.0000 H 0 0 0
- 2.3634 3.3664 0.0000 H 0 0 0
- 1.7206 -2.5237 0.0000 H 0 0 0
- 4.4569 2.2296 0.0000 H 0 0 0
- 6.0169 -0.6032 0.0000 H 0 0 0
- 5.3304 0.5834 0.0000 H 0 0 0
- 3.8033 -3.5866 0.0000 H 0 0 0
- 5.3195 -2.7036 0.0000 H 0 0 0
- 5.9599 -1.5566 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 2 0
- 20 22 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -1.1029 -0.1388 0.0024 C 0 0 0
- -0.0934 -1.1228 0.0023 C 0 0 0
- -0.7832 1.2379 0.0016 C 0 0 0
- -2.4617 -0.5343 -0.0026 C 0 0 0
- 1.3276 -0.7294 0.0013 C 0 0 0
- -0.4515 -2.4656 0.0026 C 0 0 0
- 0.6262 1.6616 0.0001 C 0 0 0
- -1.8070 2.1789 0.0013 C 0 0 0
- -2.7817 -1.9027 -0.0071 C 0 0 0
- -3.4668 0.4490 -0.0025 C 0 0 0
- 1.6813 0.6338 0.0005 C 0 0 0
- 2.3296 -1.6987 0.0006 C 0 0 0
- -1.7883 -2.8380 0.0031 C 0 0 0
- 0.9157 2.8442 -0.0004 O 0 0 0
- -3.1339 1.7724 0.0018 C 0 0 0
- 3.0284 0.9998 -0.0015 C 0 0 0
- 3.6549 -1.3173 -0.0008 C 0 0 0
- 4.0028 0.0250 -0.0026 C 0 0 0
- 0.2919 -3.2008 0.0000 H 0 0 0
- -1.5758 3.1986 0.0000 H 0 0 0
- -3.7828 -2.2046 0.0000 H 0 0 0
- -4.4731 0.1651 0.0000 H 0 0 0
- 2.0767 -2.7132 0.0000 H 0 0 0
- -2.0387 -3.8532 0.0000 H 0 0 0
- -3.8918 2.4927 0.0000 H 0 0 0
- 3.2974 2.0102 0.0000 H 0 0 0
- 4.4040 -2.0467 0.0000 H 0 0 0
- 5.0117 0.2997 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 11 16 2 0
- 12 17 1 0
- 16 18 1 0
- 7 11 1 0
- 9 13 1 0
- 10 15 2 0
- 17 18 2 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68931-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 63 1 V2000
- -0.2346 1.3546 0.8471 C 0 0 0
- -1.4394 2.0467 0.9498 C 0 0 0
- 0.9529 2.0544 0.7115 C 0 0 0
- -0.2241 -0.0047 0.8855 O 0 0 0
- -2.6442 1.3437 1.0876 N 0 0 0
- -1.4434 3.4330 0.9157 C 0 0 0
- 0.9411 3.4369 0.6783 C 0 0 0
- 1.1401 -0.4109 0.7583 C 0 0 0
- -3.6675 1.5887 0.2455 C 0 0 0
- -0.2539 4.1242 0.7801 C 0 0 0
- 1.2228 -1.9382 0.7943 C 0 0 0
- -4.8612 0.9990 0.4469 O 0 0 0
- -3.5130 2.3418 -0.6956 O 0 0 0
- 2.6834 -2.3731 0.6580 C 0 0 0
- -5.9637 1.2629 -0.4603 C 0 0 0
- 2.7661 -3.9005 0.6940 C 0 0 0
- -6.8768 0.0369 -0.5237 C 0 0 0
- -6.7615 2.4674 0.0433 C 0 0 0
- 4.2267 -4.3354 0.5578 C 0 0 0
- -6.1459 -1.0875 -1.1233 N 0 0 0
- 4.3095 -5.8627 0.5937 C 0 0 0
- -6.3900 -2.2550 -0.2659 C 0 0 0
- -6.7894 -1.3692 -2.4135 C 0 0 0
- 5.7700 -6.2976 0.4575 C 0 0 0
- -5.0567 -2.7865 0.2637 C 0 0 0
- -5.7447 -1.3045 -3.5294 C 0 0 0
- 16.3694 2.1291 -1.2070 Cl 0 0 0
- 1.8566 1.5431 0.0000 H 0 0 0
- -2.4925 0.3165 0.0000 H 0 0 0
- -2.3441 3.9496 0.0000 H 0 0 0
- 1.8377 3.9606 0.0000 H 0 0 0
- 2.1765 -0.4736 0.0000 H 0 0 0
- 1.3208 0.6116 0.0000 H 0 0 0
- -0.2562 5.1625 0.0000 H 0 0 0
- 0.1864 -1.8755 0.0000 H 0 0 0
- 1.0421 -2.9607 0.0000 H 0 0 0
- 3.7198 -2.4358 0.0000 H 0 0 0
- 2.8641 -1.3506 0.0000 H 0 0 0
- -5.3686 2.1137 0.0000 H 0 0 0
- 1.7297 -3.8378 0.0000 H 0 0 0
- 2.5854 -4.9230 0.0000 H 0 0 0
- -7.6307 0.7509 0.0000 H 0 0 0
- -7.6746 -0.6276 0.0000 H 0 0 0
- -5.8958 3.0408 0.0000 H 0 0 0
- -7.3349 3.3331 0.0000 H 0 0 0
- -7.6272 1.8940 0.0000 H 0 0 0
- 5.2631 -4.3980 0.0000 H 0 0 0
- 4.4074 -3.3129 0.0000 H 0 0 0
- 3.2731 -5.8001 0.0000 H 0 0 0
- 4.1288 -6.8852 0.0000 H 0 0 0
- -7.3924 -1.9842 0.0000 H 0 0 0
- -6.7182 -3.2401 0.0000 H 0 0 0
- -7.5481 -0.6603 0.0000 H 0 0 0
- -7.1404 -2.3464 0.0000 H 0 0 0
- 5.4737 -7.2927 0.0000 H 0 0 0
- 6.7651 -6.5939 0.0000 H 0 0 0
- 6.0663 -5.3025 0.0000 H 0 0 0
- -5.4412 -3.7510 0.0000 H 0 0 0
- -4.0922 -3.1710 0.0000 H 0 0 0
- -4.6722 -1.8220 0.0000 H 0 0 0
- -5.6805 -2.3408 0.0000 H 0 0 0
- -4.7084 -1.2403 0.0000 H 0 0 0
- -5.8089 -0.2682 0.0000 H 0 0 0
- 17.4077 2.1291 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 7 10 2 0
- 3 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 17 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 24 56 1 0
- 24 57 1 0
- 25 58 1 0
- 25 59 1 0
- 25 60 1 0
- 26 61 1 0
- 26 62 1 0
- 26 63 1 0
- 27 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20265-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -3.1962 0.8934 0.1095 C 0 0 0
- -4.0502 -0.1016 0.5611 C 0 0 0
- -1.9682 0.5573 -0.4412 C 0 0 0
- -3.5653 2.1991 0.2015 O 0 0 0
- -3.6785 -1.4284 0.4629 C 0 0 0
- -1.5950 -0.7685 -0.5402 C 0 0 0
- -2.4907 2.9711 -0.3383 C 0 0 0
- -2.4496 -1.7656 -0.0882 C 0 0 0
- -2.0725 -3.1095 -0.1886 N 0 0 0
- 9.0103 0.1152 0.0766 Cl 0 0 0
- -5.0191 0.1131 0.0000 H 0 0 0
- -1.2690 1.2615 0.0000 H 0 0 0
- -4.3783 -2.1320 0.0000 H 0 0 0
- -0.6259 -0.9823 0.0000 H 0 0 0
- -1.9117 2.1652 0.0000 H 0 0 0
- -1.6848 3.5501 0.0000 H 0 0 0
- -3.0697 3.7771 0.0000 H 0 0 0
- -2.7659 -3.8194 0.0000 H 0 0 0
- -1.1110 -3.3550 0.0000 H 0 0 0
- 10.0027 0.1152 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2757-90-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -2.5677 -1.0003 0.0807 C 0 0 0
- -3.6583 -1.4174 0.8327 C 0 0 0
- -2.6924 0.0881 -0.7737 C 0 0 0
- -1.3466 -1.6701 0.1874 N 0 0 0
- -4.8628 -0.7493 0.7290 C 0 0 0
- -3.8994 0.7514 -0.8726 C 0 0 0
- -0.2475 -1.2480 -0.5719 N 0 0 0
- -4.9835 0.3335 -0.1223 C 0 0 0
- 0.8824 -0.8466 0.0434 C 0 0 0
- -6.2992 1.0599 -0.2329 C 0 0 0
- 2.0647 -0.3927 -0.7733 C 0 0 0
- 0.9477 -0.8507 1.2545 O 0 0 0
- -6.1221 2.4263 0.1459 O 0 0 0
- 3.2079 0.0061 0.1621 C 0 0 0
- 4.4082 0.4670 -0.6671 C 0 0 1
- 5.5342 0.8599 0.2542 C 0 0 0
- 4.8497 -0.6287 -1.5404 N 0 0 0
- 5.6343 2.1255 0.6899 O 0 0 0
- 6.3468 0.0355 0.6008 O 0 0 0
- -3.7217 -2.3145 0.0000 H 0 0 0
- -1.9457 0.5893 0.0000 H 0 0 0
- -1.4073 -2.5674 0.0000 H 0 0 0
- -5.6112 -1.2479 0.0000 H 0 0 0
- -3.8389 1.6487 0.0000 H 0 0 0
- -0.5593 -0.4045 0.0000 H 0 0 0
- -7.1696 1.2859 0.0000 H 0 0 0
- -6.6322 0.2245 0.0000 H 0 0 0
- 2.2236 0.4925 0.0000 H 0 0 0
- 1.3716 0.1804 0.0000 H 0 0 0
- -6.0065 3.3182 0.0000 H 0 0 0
- 3.0490 -0.8791 0.0000 H 0 0 0
- 3.9010 -0.5670 0.0000 H 0 0 0
- 4.0988 1.3114 0.0000 H 0 0 0
- 4.2954 -1.3368 0.0000 H 0 0 0
- 5.7401 -0.7547 0.0000 H 0 0 0
- 5.7052 3.0220 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 6 8 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13014-18-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.5397 0.3994 -0.0005 C 0 0 0
- 0.0331 0.3671 -0.0011 C 0 0 0
- 2.1041 2.1118 -0.0023 Cl 0 0 0
- 2.1582 -0.4358 1.4728 Cl 0 0 0
- 2.1594 -0.4391 -1.4715 Cl 0 0 0
- -0.6326 -0.8456 0.0001 C 0 0 0
- -0.6835 1.5493 0.0031 C 0 0 0
- -2.0158 -0.8751 0.0000 C 0 0 0
- 0.2674 -2.3300 0.0009 Cl 0 0 0
- -2.0652 1.5205 0.0031 C 0 0 0
- -2.7322 0.3080 -0.0011 C 0 0 0
- -4.4679 0.2720 -0.0012 Cl 0 0 0
- -0.1838 2.4586 0.0000 H 0 0 0
- -2.5155 -1.7844 0.0000 H 0 0 0
- -2.6025 2.4081 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 2 0
- 11 12 1 0
- 10 11 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-128-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 71 1 V2000
- 0.1408 -0.7568 0.5256 C 0 0 1
- 1.3489 -0.7946 -0.3909 C 0 0 1
- -0.7469 0.4252 0.0501 C 0 0 1
- -0.8263 -1.9391 0.4001 C 0 0 0
- 2.1371 0.5042 -0.1602 C 0 0 1
- 2.2404 -1.9892 -0.0484 C 0 0 2
- -2.0704 0.1793 0.7668 C 0 0 2
- -0.0167 1.7059 0.4028 C 0 0 0
- -0.9528 0.3444 -1.4638 C 0 0 0
- -2.1588 -1.3570 0.9464 C 0 0 0
- 3.3648 0.5150 -1.0719 C 0 0 2
- 1.2789 1.7362 -0.4256 C 0 0 0
- 3.4752 -1.9788 -0.9520 C 0 0 0
- 1.5114 -3.2013 -0.2519 O 0 0 0
- -3.2249 0.6567 -0.1163 C 0 0 1
- 4.2573 -0.6819 -0.7352 C 0 0 2
- 4.1489 1.8112 -0.8562 C 0 0 0
- 2.9173 0.4235 -2.5321 C 0 0 0
- -4.5451 0.1101 0.4306 C 0 0 0
- -3.2675 2.1862 -0.1172 C 0 0 0
- 4.6984 -0.5914 0.7272 C 0 0 0
- 4.5900 1.9017 0.6061 C 0 0 0
- -5.6997 0.5876 -0.4525 C 0 0 0
- 5.4808 0.7050 0.9453 C 0 0 1
- -7.0001 0.0492 0.0863 C 0 0 0
- 5.8918 0.7893 2.3113 O 0 0 0
- -8.1550 0.3410 -0.5324 O 0 0 0
- -7.0031 -0.6452 1.0751 O 0 0 0
- 0.6297 0.1847 0.0000 H 0 0 0
- 0.8586 -1.7353 0.0000 H 0 0 0
- -1.3378 -2.8685 0.0000 H 0 0 0
- 0.0526 -2.5331 0.0000 H 0 0 0
- 2.6239 1.4467 0.0000 H 0 0 0
- 2.7120 -1.0389 0.0000 H 0 0 0
- -1.9601 1.2344 0.0000 H 0 0 0
- 0.1493 2.7537 0.0000 H 0 0 0
- -1.0176 2.0573 0.0000 H 0 0 0
- -1.3403 1.3319 0.0000 H 0 0 0
- -1.9403 -0.0431 0.0000 H 0 0 0
- -0.5653 -0.6431 0.0000 H 0 0 0
- -3.2033 -1.1717 0.0000 H 0 0 0
- -2.4659 -2.3724 0.0000 H 0 0 0
- 2.2504 2.1624 0.0000 H 0 0 0
- 1.0491 2.7718 0.0000 H 0 0 0
- 3.2902 -3.0234 0.0000 H 0 0 0
- 4.4684 -2.3515 0.0000 H 0 0 0
- 0.9646 -4.1104 0.0000 H 0 0 0
- -3.2247 -0.4041 0.0000 H 0 0 0
- 4.8696 -1.5482 0.0000 H 0 0 0
- 4.1981 2.8709 0.0000 H 0 0 0
- 3.1340 2.1199 0.0000 H 0 0 0
- 2.7048 1.4628 0.0000 H 0 0 0
- 1.8780 0.2110 0.0000 H 0 0 0
- 3.1298 -0.6158 0.0000 H 0 0 0
- -5.1906 -0.7317 0.0000 H 0 0 0
- -3.8992 -0.7315 0.0000 H 0 0 0
- -2.2071 2.2157 0.0000 H 0 0 0
- -3.2970 3.2466 0.0000 H 0 0 0
- -4.3279 2.1567 0.0000 H 0 0 0
- 4.6495 -1.6511 0.0000 H 0 0 0
- 5.7135 -0.8994 0.0000 H 0 0 0
- 5.5240 2.4047 0.0000 H 0 0 0
- 4.2280 2.8989 0.0000 H 0 0 0
- -5.0542 1.4294 0.0000 H 0 0 0
- -6.3456 1.4292 0.0000 H 0 0 0
- 6.0929 -0.1614 0.0000 H 0 0 0
- 6.9310 1.0024 0.0000 H 0 0 0
- -9.1835 0.6009 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 15 20 1 0
- 16 21 1 0
- 17 22 1 0
- 19 23 1 0
- 21 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 25 28 2 0
- 7 10 1 0
- 8 12 1 0
- 13 16 1 0
- 22 24 1 0
- 1 29 1 0
- 2 30 1 0
- 4 31 1 0
- 4 32 1 0
- 5 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 20 59 1 0
- 21 60 1 0
- 21 61 1 0
- 22 62 1 0
- 22 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 26 67 1 0
- 27 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-72-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -1.3916 0.1864 -0.7434 C 0 0 0
- -1.8336 -0.9633 -0.0630 C 0 0 0
- -0.0612 0.2838 -1.1229 C 0 0 0
- -2.2637 1.1782 -1.0248 O 0 0 0
- -3.2403 -1.0566 0.3335 C 0 0 0
- -0.9340 -1.9961 0.2250 C 0 0 0
- 0.8154 -0.7476 -0.8294 C 0 0 0
- -3.5554 1.0974 -0.6696 C 0 0 0
- -4.0644 -0.0211 0.0248 C 0 0 0
- -3.7600 -2.2683 1.0634 C 0 0 0
- 0.3717 -1.8842 -0.1560 C 0 0 0
- 2.1173 -0.6511 -1.2018 O 0 0 0
- -4.3052 2.0170 -0.9444 O 0 0 0
- -5.7410 -0.0797 0.4712 Cl 0 0 0
- 2.8903 0.0952 -0.0028 P 0 0 0
- 4.4106 0.3878 -0.4444 O 0 0 0
- 2.1506 1.4862 0.3288 O 0 0 0
- 2.8813 -0.9897 1.5123 S 0 0 0
- 4.9772 -0.8661 -0.8304 C 0 0 0
- 2.9440 2.1513 1.3138 C 0 0 0
- 6.4296 -0.6576 -1.2638 C 0 0 0
- 2.2931 3.4879 1.6755 C 0 0 0
- 0.3215 1.1974 0.0000 H 0 0 0
- -1.3054 -2.9143 0.0000 H 0 0 0
- -4.6703 -1.8779 0.0000 H 0 0 0
- -4.1504 -3.1786 0.0000 H 0 0 0
- -2.8497 -2.6587 0.0000 H 0 0 0
- 0.9649 -2.6775 0.0000 H 0 0 0
- 4.0403 -1.1875 0.0000 H 0 0 0
- 5.2093 -1.8290 0.0000 H 0 0 0
- 3.5164 1.3429 0.0000 H 0 0 0
- 3.7963 2.6560 0.0000 H 0 0 0
- 6.5704 -1.6381 0.0000 H 0 0 0
- 7.4101 -0.5168 0.0000 H 0 0 0
- 6.2888 0.3229 0.0000 H 0 0 0
- 3.1836 3.9216 0.0000 H 0 0 0
- 1.8594 4.3784 0.0000 H 0 0 0
- 1.4026 3.0542 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 12 15 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 7 11 1 0
- 8 9 1 0
- 3 23 1 0
- 6 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 19 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1198-61-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.0001 -1.6535 -0.0014 C 0 0 0
- -1.2001 -0.9603 -0.0009 C 0 0 0
- 1.2000 -0.9606 -0.0012 C 0 0 0
- 0.0000 -3.0045 0.0037 F 0 0 0
- -1.1997 0.4245 -0.0003 C 0 0 0
- -2.3703 -1.6355 -0.0015 F 0 0 0
- 1.1996 0.4246 -0.0006 C 0 0 0
- 2.3701 -1.6359 -0.0012 F 0 0 0
- 0.0002 1.1169 0.0003 C 0 0 0
- -2.7028 1.2929 0.0003 Cl 0 0 0
- 2.7028 1.2929 0.0002 Cl 0 0 0
- 0.0002 2.4679 0.0009 F 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 2 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-824-94-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -2.2167 -0.0667 -0.9352 C 0 0 0
- -3.1854 0.2221 0.5579 Cl 0 0 0
- -0.7538 -0.1341 -0.5796 C 0 0 0
- -0.1791 -1.3474 -0.2498 C 0 0 0
- 0.0127 1.0169 -0.5893 C 0 0 0
- 1.1620 -1.4119 0.0762 C 0 0 0
- 1.3538 0.9577 -0.2642 C 0 0 0
- 1.9318 -0.2580 0.0723 C 0 0 0
- 3.2511 -0.3189 0.3930 O 0 0 0
- 3.7607 1.0129 0.2992 C 0 0 0
- -2.8907 -0.8166 0.0000 H 0 0 0
- -1.8275 -0.9968 0.0000 H 0 0 0
- -0.7386 -2.1862 0.0000 H 0 0 0
- -0.4436 1.9160 0.0000 H 0 0 0
- 1.6161 -2.3121 0.0000 H 0 0 0
- 1.9110 1.7980 0.0000 H 0 0 0
- 4.7024 0.6526 0.0000 H 0 0 0
- 4.1210 1.9546 0.0000 H 0 0 0
- 2.8190 1.3732 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 10 9 1 0
- 7 8 1 0
- 1 11 1 0
- 1 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-603-87-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.8913 0.0013 0.0198 N 0 3 0
- 2.6833 -0.6483 -0.6392 O 0 5 0
- 2.2760 0.9647 0.6581 O 0 0 0
- 0.4603 -0.3765 0.0401 C 0 0 0
- -0.5151 0.6013 -0.0582 C 0 0 0
- 0.0978 -1.7068 0.1516 C 0 0 0
- -0.1601 1.9092 -0.1740 O 0 0 0
- -1.8615 0.2421 -0.0388 C 0 0 0
- -1.2372 -2.0639 0.1710 C 0 0 0
- -2.8518 1.2262 -0.1383 N 0 0 0
- -2.2174 -1.0931 0.0790 C 0 0 0
- 0.8285 -2.4410 0.0000 H 0 0 0
- 0.1112 2.9089 0.0000 H 0 0 0
- -1.5031 -3.0650 0.0000 H 0 0 0
- -2.5868 2.2276 0.0000 H 0 0 0
- -3.8515 0.9550 0.0000 H 0 0 0
- -3.2171 -1.3643 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 1 0
- 11 8 2 0
- 9 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-35-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.0394 -0.6459 0.3827 N 0 0 0
- -1.3106 -1.1553 0.6362 C 0 0 0
- 0.3830 0.6540 0.4260 C 0 0 0
- 1.0998 -1.4169 0.0815 C 0 0 0
- -2.1884 -0.0316 1.1204 C 0 0 0
- -1.8934 -1.7256 -0.6612 C 0 0 0
- 1.8238 0.7708 0.1169 C 0 0 0
- -0.3653 1.5771 0.6766 O 0 0 0
- 2.2792 -0.5449 -0.1020 C 0 0 0
- 1.0899 -2.6269 -0.0219 O 0 0 0
- -2.8984 0.7167 0.2628 N 0 0 0
- -2.2550 0.2011 2.3083 O 0 0 0
- -2.0436 -0.5836 -1.6720 C 0 0 0
- 2.7094 1.8319 0.0179 C 0 0 0
- 3.6102 -0.7705 -0.4145 C 0 0 0
- -2.8816 0.5091 -1.0623 C 0 0 0
- 4.0372 1.5915 -0.2989 C 0 0 0
- 4.4840 0.3010 -0.5128 C 0 0 0
- -3.5543 1.2144 -1.7830 O 0 0 0
- -0.7664 -2.0086 0.0000 H 0 0 0
- -2.8457 -2.0682 0.0000 H 0 0 0
- -1.3558 -2.5831 0.0000 H 0 0 0
- -3.3110 1.6408 0.0000 H 0 0 0
- -1.0556 -0.8028 0.0000 H 0 0 0
- -1.4996 0.2698 0.0000 H 0 0 0
- 2.3642 2.7832 0.0000 H 0 0 0
- 3.9661 -1.7179 0.0000 H 0 0 0
- 4.6956 2.3601 0.0000 H 0 0 0
- 5.4805 0.1244 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 2 0
- 7 9 2 0
- 13 16 1 0
- 17 18 1 0
- 2 20 1 0
- 6 21 1 0
- 6 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-618-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.6767 -0.0265 0.0021 C 0 0 0
- 2.3155 -1.1615 0.0028 N 0 0 0
- 2.3787 1.1591 -0.0045 N 0 0 0
- 0.1960 -0.0102 0.0022 C 0 0 0
- -0.4907 1.2033 0.0014 C 0 0 0
- -0.5174 -1.2088 -0.0028 C 0 0 0
- -1.8708 1.2120 0.0010 C 0 0 0
- -1.8969 -1.1872 -0.0032 C 0 0 0
- -2.5727 0.0202 0.0014 C 0 0 0
- 2.8243 -2.0655 0.0000 H 0 0 0
- 3.4160 1.1477 0.0000 H 0 0 0
- 1.8699 2.0631 0.0000 H 0 0 0
- 0.0347 2.0978 0.0000 H 0 0 0
- -0.0118 -2.1146 0.0000 H 0 0 0
- -2.3827 2.1142 0.0000 H 0 0 0
- -2.4285 -2.0780 0.0000 H 0 0 0
- -3.6100 0.0316 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 8 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2244-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.9358 0.0644 0.3862 C 0 0 1
- -0.1577 -0.9691 -0.4406 C 0 0 0
- -0.4879 1.4673 -0.0210 C 0 0 0
- -2.4115 -0.0884 0.1212 C 0 0 0
- 1.3101 -0.8005 -0.1061 C 0 0 0
- 1.0039 1.6028 0.0551 C 0 0 0
- -2.9480 0.0849 -1.2763 C 0 0 0
- -3.2278 -0.3718 1.1058 C 0 0 0
- 1.8310 0.5655 0.0120 C 0 0 0
- 2.0304 -1.7629 0.0590 O 0 0 0
- 3.3188 0.7934 0.0852 C 0 0 0
- 0.1452 0.2479 0.0000 H 0 0 0
- -1.1361 -1.4641 0.0000 H 0 0 0
- 0.1573 -2.0194 0.0000 H 0 0 0
- -0.4412 2.5628 0.0000 H 0 0 0
- -1.5675 1.6591 0.0000 H 0 0 0
- 1.4345 2.6112 0.0000 H 0 0 0
- -2.6110 1.1283 0.0000 H 0 0 0
- -3.9914 0.4219 0.0000 H 0 0 0
- -3.2850 -0.9585 0.0000 H 0 0 0
- -4.0571 0.3454 0.0000 H 0 0 0
- -3.4343 -1.4486 0.0000 H 0 0 0
- 3.4848 -0.2904 0.0000 H 0 0 0
- 4.4026 0.9594 0.0000 H 0 0 0
- 3.1528 1.8772 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 9 11 1 0
- 6 9 2 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70021-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.5536 0.0020 -0.0077 C 0 0 0
- -0.7473 0.5368 0.0113 C 0 0 0
- 1.6686 0.8742 0.0202 C 0 0 0
- 0.7340 -1.3999 -0.0485 C 0 0 0
- -1.8660 -0.3295 -0.0164 C 0 0 0
- -0.9356 1.9359 0.0575 C 0 0 0
- 3.0292 0.3026 -0.0001 C 0 0 0
- 1.4680 2.2498 0.0665 C 0 0 0
- 2.0865 -1.9559 -0.0687 C 0 0 0
- -0.3842 -2.2411 -0.0697 C 0 0 0
- -3.2074 0.2541 0.0042 C 0 0 0
- -1.6705 -1.7117 -0.0620 C 0 0 0
- 0.1867 2.7807 0.0840 C 0 0 0
- -2.2441 2.4607 0.0757 C 0 0 0
- 3.2004 -1.1038 -0.0469 C 0 0 0
- 4.1430 1.1297 0.0267 C 0 0 0
- -3.3482 1.6236 0.0499 C 0 0 0
- -4.4031 -0.6195 -0.0241 N 0 3 0
- 4.5039 -1.6405 -0.0655 C 0 0 0
- 5.4190 0.5783 0.0076 C 0 0 0
- -5.3628 -0.3164 -0.7103 O 0 0 0
- -4.4306 -1.8072 0.7464 O 0 5 0
- 5.5941 -0.7942 -0.0380 C 0 0 0
- 2.2980 2.8959 0.0000 H 0 0 0
- 2.2244 -2.9987 0.0000 H 0 0 0
- -0.2507 -3.2844 0.0000 H 0 0 0
- -2.5012 -2.3570 0.0000 H 0 0 0
- 0.0543 3.8242 0.0000 H 0 0 0
- -2.3843 3.5032 0.0000 H 0 0 0
- 4.0219 2.1745 0.0000 H 0 0 0
- -4.3129 2.0427 0.0000 H 0 0 0
- 4.6452 -2.6828 0.0000 H 0 0 0
- 6.2596 1.2106 0.0000 H 0 0 0
- 6.5662 -1.1959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 1 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97851-14-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.3994 -0.1654 0.3535 C 0 0 0
- -0.9615 0.4255 0.3466 C 0 0 0
- 1.4897 0.5871 -0.0801 C 0 0 0
- 0.5909 -1.4720 0.7988 C 0 0 0
- -2.0564 -0.3451 -0.0390 C 0 0 0
- -1.1501 1.7517 0.7314 C 0 0 0
- 2.7534 0.0354 -0.0721 C 0 0 0
- 1.8573 -2.0185 0.8045 C 0 0 0
- -3.3204 0.2097 -0.0430 C 0 0 0
- -2.4181 2.2960 0.7235 C 0 0 0
- 2.9404 -1.2683 0.3676 C 0 0 0
- 3.9117 0.8339 -0.5323 N 0 3 0
- -3.5011 1.5277 0.3351 C 0 0 0
- -4.4846 -0.6076 -0.4524 N 0 3 0
- 4.1868 -1.8093 0.3743 O 0 0 0
- 4.0227 1.9981 -0.1918 O 0 0 0
- 4.7538 0.3268 -1.2515 O 0 5 0
- -5.6004 -0.1192 -0.4564 O 0 0 0
- -4.3268 -1.7685 -0.7853 O 0 5 0
- 1.3935 1.5834 0.0000 H 0 0 0
- -0.2032 -2.0813 0.0000 H 0 0 0
- -1.9566 -1.3411 0.0000 H 0 0 0
- -0.3553 2.3601 0.0000 H 0 0 0
- 1.9564 -3.0145 0.0000 H 0 0 0
- -2.5238 3.2914 0.0000 H 0 0 0
- -4.4196 1.9256 0.0000 H 0 0 0
- 5.1050 -2.2078 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 14 18 2 0
- 14 19 1 0
- 8 11 2 0
- 10 13 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 13 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89811-25-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -1.3795 -0.0410 -0.0342 C 0 0 0
- -2.5772 -0.6532 0.0741 O 0 0 0
- -1.6098 1.3085 -0.2035 C 0 0 0
- -0.1124 -0.6708 0.0219 C 0 0 0
- -3.5545 0.2589 -0.0203 C 0 0 0
- -3.0023 1.4805 -0.1920 C 0 0 0
- 1.0181 0.0681 -0.1019 C 0 0 0
- -5.0055 -0.0258 0.0510 N 0 3 0
- 2.2847 -0.5613 -0.0457 C 0 0 0
- -5.8101 0.8833 -0.0471 O 0 0 0
- -5.3948 -1.1693 0.2079 O 0 5 0
- 3.4082 0.1729 -0.1688 N 0 0 0
- 2.3593 -1.7663 0.1137 O 0 0 0
- 4.7191 -0.4785 -0.1107 C 0 0 0
- 5.8186 0.5725 -0.2755 C 0 0 0
- 5.7113 1.6037 0.8497 C 0 0 0
- 7.1877 -0.1079 -0.2149 C 0 0 0
- -0.9103 2.0411 0.0000 H 0 0 0
- -0.0529 -1.6820 0.0000 H 0 0 0
- -3.4983 2.3637 0.0000 H 0 0 0
- 0.9585 1.0793 0.0000 H 0 0 0
- 3.3486 1.1841 0.0000 H 0 0 0
- 4.1667 -1.3276 0.0000 H 0 0 0
- 5.4988 -1.1251 0.0000 H 0 0 0
- 4.8678 0.9219 0.0000 H 0 0 0
- 6.7188 1.7085 0.0000 H 0 0 0
- 5.6065 2.6112 0.0000 H 0 0 0
- 4.7038 1.4989 0.0000 H 0 0 0
- 6.7369 -1.0150 0.0000 H 0 0 0
- 8.0948 -0.5587 0.0000 H 0 0 0
- 7.6385 0.7992 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-156-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.6419 0.3626 -0.0017 C 0 0 0
- -0.7103 0.5446 -0.0018 N 0 0 0
- 1.4986 1.4691 -0.0017 C 0 0 0
- 1.1755 -0.9306 0.0042 C 0 0 0
- -1.4986 -0.4765 -0.0019 N 0 0 0
- 2.8619 1.2815 -0.0011 C 0 0 0
- 2.5403 -1.1100 0.0047 C 0 0 0
- -2.8536 -0.2942 -0.0020 C 0 0 0
- 3.3890 -0.0070 -0.0006 C 0 0 0
- -3.7209 -1.3948 -0.0020 C 0 0 0
- -3.3977 0.9931 0.0038 C 0 0 0
- 4.7690 -0.1927 -0.0004 N 0 0 0
- -5.0836 -1.1553 -0.0017 C 0 0 0
- -4.7026 1.1677 0.0042 N 0 0 0
- 5.3258 -1.5478 0.0001 C 0 0 0
- 5.6642 0.9670 -0.0009 C 0 0 0
- -5.5422 0.1498 -0.0012 C 0 0 0
- 1.1052 2.4326 0.0000 H 0 0 0
- 0.5415 -1.7559 0.0000 H 0 0 0
- 3.4997 2.1039 0.0000 H 0 0 0
- 2.9380 -2.0717 0.0000 H 0 0 0
- -3.3497 -2.3671 0.0000 H 0 0 0
- -2.7662 1.8204 0.0000 H 0 0 0
- -5.7568 -1.9490 0.0000 H 0 0 0
- 4.3632 -1.9433 0.0000 H 0 0 0
- 5.7213 -2.5104 0.0000 H 0 0 0
- 6.2884 -1.1523 0.0000 H 0 0 0
- 6.4880 0.3311 0.0000 H 0 0 0
- 6.3001 1.7908 0.0000 H 0 0 0
- 4.8404 1.6029 0.0000 H 0 0 0
- -6.5669 0.3319 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 12 16 1 0
- 13 17 2 0
- 7 9 2 0
- 14 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.9742 0.0001 0.0018 C 0 0 0
- -1.2783 -1.2022 0.0013 C 0 0 0
- -1.2785 1.2020 0.0014 C 0 0 0
- -3.3716 0.0001 -0.0031 N 0 0 0
- 0.1025 -1.1993 0.0004 C 0 0 0
- 0.1028 1.1990 0.0005 C 0 0 0
- 0.7933 0.0001 0.0000 C 0 0 0
- 2.5293 0.0000 -0.0006 Cl 0 0 0
- -1.7968 -2.1035 0.0000 H 0 0 0
- -1.7969 2.1034 0.0000 H 0 0 0
- -3.8915 0.9006 0.0000 H 0 0 0
- -3.8915 -0.9004 0.0000 H 0 0 0
- 0.6238 -2.0990 0.0000 H 0 0 0
- 0.6242 2.0987 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-532-27-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.8333 0.1001 -0.0010 C 0 0 0
- -0.6210 0.3259 -0.0002 C 0 0 0
- 1.7135 1.1871 0.0003 C 0 0 0
- 1.3422 -1.2024 0.0026 C 0 0 0
- -1.5658 -0.8482 -0.0017 C 0 0 0
- -1.0589 1.4566 0.0017 O 0 0 0
- 3.0745 0.9673 -0.0005 C 0 0 0
- 2.7062 -1.4057 0.0018 C 0 0 0
- -3.2669 -0.2506 -0.0003 Cl 0 0 0
- 3.5706 -0.3250 -0.0027 C 0 0 0
- 1.3410 2.1618 0.0000 H 0 0 0
- 0.6916 -2.0183 0.0000 H 0 0 0
- -2.0207 -1.7873 0.0000 H 0 0 0
- -0.6841 -1.4063 0.0000 H 0 0 0
- 3.7324 1.7773 0.0000 H 0 0 0
- 3.0875 -2.3770 0.0000 H 0 0 0
- 4.6017 -0.4851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18810-04-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- -3.1110 0.1428 -0.3170 C 0 0 0
- -4.3071 0.1323 0.6370 C 0 0 1
- -1.8128 0.1341 0.4928 C 0 0 0
- -5.5858 0.1409 -0.1606 C 0 0 0
- -4.2581 -1.0762 1.4706 N 0 0 0
- -0.6167 0.1446 -0.4612 C 0 0 0
- -6.1553 1.3070 -0.5032 O 0 0 0
- -6.0982 -0.9021 -0.4917 O 0 0 0
- 0.6815 0.1359 0.3486 C 0 0 0
- 1.8299 0.1459 -0.5674 N 0 0 0
- 3.0373 0.1370 0.2694 C 0 0 0
- 4.2781 0.1468 -0.6256 C 0 0 0
- 5.5167 0.1376 0.2328 C 0 0 0
- 4.2703 -1.0434 -1.4866 N 0 0 0
- 6.0682 1.2959 0.6277 O 0 0 0
- 6.0133 -0.9124 0.5656 O 0 0 0
- -2.6562 0.9277 0.0000 H 0 0 0
- -3.5674 0.9267 0.0000 H 0 0 0
- -4.3080 1.0394 0.0000 H 0 0 0
- -2.2676 -0.6508 0.0000 H 0 0 0
- -1.3564 -0.6498 0.0000 H 0 0 0
- -5.0247 -1.5612 0.0000 H 0 0 0
- -3.4548 -1.4976 0.0000 H 0 0 0
- -0.1619 0.9295 0.0000 H 0 0 0
- -1.0731 0.9285 0.0000 H 0 0 0
- -6.5534 2.1221 0.0000 H 0 0 0
- 0.2267 -0.6490 0.0000 H 0 0 0
- 1.1379 -0.6481 0.0000 H 0 0 0
- 1.8293 1.0530 0.0000 H 0 0 0
- 2.5819 -0.6476 0.0000 H 0 0 0
- 3.4931 -0.6473 0.0000 H 0 0 0
- 4.2779 1.0539 0.0000 H 0 0 0
- 3.4818 -1.4918 0.0000 H 0 0 0
- 5.0529 -1.5021 0.0000 H 0 0 0
- 6.4582 2.1149 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 1 17 1 0
- 1 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-394-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.5812 0.8967 -0.0026 C 0 0 0
- -0.0023 -0.3968 -0.0016 C 0 0 0
- 0.2607 2.0224 -0.0019 C 0 0 0
- -1.9112 1.0299 0.0014 N 0 0 0
- 1.3978 -0.5311 0.0004 C 0 0 0
- -0.8462 -1.5220 -0.0023 C 0 0 0
- 1.6117 1.8569 -0.0003 C 0 0 0
- -2.7010 -0.0169 0.0062 C 0 0 0
- 2.1808 0.5857 0.0015 C 0 0 0
- 1.9633 -1.7581 0.0018 F 0 0 0
- -2.1969 -1.3150 -0.0039 C 0 0 0
- -0.1454 2.9740 0.0000 H 0 0 0
- -0.4551 -2.4799 0.0000 H 0 0 0
- 2.2262 2.6893 0.0000 H 0 0 0
- -3.7258 0.1254 0.0000 H 0 0 0
- 3.2107 0.4873 0.0000 H 0 0 0
- -2.8444 -2.1219 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18296-44-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 62 1 V2000
- 0.6412 1.1630 -0.5365 C 0 0 2
- -0.2043 0.2162 0.3089 C 0 0 2
- 1.8719 0.3059 -0.8781 C 0 0 2
- 0.7389 2.6533 -0.2712 C 0 0 0
- 0.0985 2.1123 -1.4325 O 0 0 0
- 0.2170 -1.1705 -0.1636 C 0 0 0
- -1.6926 0.3300 0.0175 C 0 0 1
- 1.3686 -1.1241 -0.7959 C 0 0 0
- 2.9009 0.5152 0.1248 O 0 0 0
- -0.7065 -2.3056 0.0413 C 0 0 0
- -2.4380 -0.7413 0.5437 O 0 0 0
- -2.1968 1.5808 0.5554 O 0 0 0
- 4.1962 0.4034 -0.2092 C 0 0 0
- -1.9605 -1.9648 0.3652 C 0 0 0
- -0.2697 -3.7406 -0.1039 C 0 0 0
- -3.4938 1.8972 0.4156 C 0 0 0
- 5.2641 0.6207 0.8317 C 0 0 0
- 4.5059 0.1286 -1.3443 O 0 0 0
- -1.3962 -4.6183 0.1585 O 0 0 0
- -4.0171 3.1955 0.9739 C 0 0 0
- -4.2416 1.1412 -0.1580 O 0 0 0
- 6.1190 1.8279 0.4409 C 0 0 0
- -1.2407 -5.9496 0.0867 C 0 0 0
- -4.5301 4.0726 -0.1699 C 0 0 0
- 5.3656 3.1164 0.7768 C 0 0 0
- 7.4376 1.7913 1.2160 C 0 0 0
- -2.4099 -6.8606 0.3591 C 0 0 0
- -0.1633 -6.4176 -0.1962 O 0 0 0
- -5.4469 5.1604 0.3932 C 0 0 0
- -3.3443 4.7244 -0.8840 C 0 0 0
- -0.5790 1.1469 0.0000 H 0 0 0
- 2.0750 1.2884 0.0000 H 0 0 0
- 1.7241 2.8430 0.0000 H 0 0 0
- 0.3063 3.5585 0.0000 H 0 0 0
- -2.6895 0.4425 0.0000 H 0 0 0
- 1.9648 -1.9310 0.0000 H 0 0 0
- -2.6311 -2.7110 0.0000 H 0 0 0
- 0.2459 -4.6012 0.0000 H 0 0 0
- 0.6473 -3.3337 0.0000 H 0 0 0
- 5.1924 -0.3800 0.0000 H 0 0 0
- 6.2086 0.2825 0.0000 H 0 0 0
- -3.0181 3.1036 0.0000 H 0 0 0
- -3.4785 4.0420 0.0000 H 0 0 0
- 6.5675 0.9305 0.0000 H 0 0 0
- -5.3497 3.4939 0.0000 H 0 0 0
- 6.2317 3.6228 0.0000 H 0 0 0
- 4.8592 3.9825 0.0000 H 0 0 0
- 4.4995 2.6100 0.0000 H 0 0 0
- 7.4098 0.7884 0.0000 H 0 0 0
- 8.4405 1.7635 0.0000 H 0 0 0
- 7.4654 2.7942 0.0000 H 0 0 0
- -3.0265 -6.0692 0.0000 H 0 0 0
- -3.2013 -7.4772 0.0000 H 0 0 0
- -1.7933 -7.6520 0.0000 H 0 0 0
- -4.6798 5.8070 0.0000 H 0 0 0
- -6.0935 5.9275 0.0000 H 0 0 0
- -6.2140 4.5138 0.0000 H 0 0 0
- -2.8610 3.8452 0.0000 H 0 0 0
- -2.4651 5.2077 0.0000 H 0 0 0
- -3.8276 5.6036 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 2 0
- 15 19 1 0
- 16 20 1 0
- 16 21 2 0
- 17 22 1 0
- 19 23 1 0
- 20 24 1 0
- 22 25 1 0
- 22 26 1 0
- 23 27 1 0
- 23 28 2 0
- 24 29 1 0
- 24 30 1 0
- 4 5 1 0
- 6 8 2 0
- 11 14 1 0
- 2 31 1 0
- 3 32 1 0
- 4 33 1 0
- 4 34 1 0
- 7 35 1 0
- 8 36 1 0
- 14 37 1 0
- 15 38 1 0
- 15 39 1 0
- 17 40 1 0
- 17 41 1 0
- 20 42 1 0
- 20 43 1 0
- 22 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
- 26 51 1 0
- 27 52 1 0
- 27 53 1 0
- 27 54 1 0
- 29 55 1 0
- 29 56 1 0
- 29 57 1 0
- 30 58 1 0
- 30 59 1 0
- 30 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1694-20-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.4754 0.3950 -0.0011 C 0 0 0
- -0.9846 0.5973 -0.0014 C 0 0 0
- 1.3365 1.4952 -0.0011 C 0 0 0
- 1.0050 -0.8983 0.0050 C 0 0 0
- -1.8091 -0.4621 -0.0014 C 0 0 0
- 2.7017 1.2981 -0.0008 C 0 0 0
- 2.3719 -1.0799 0.0052 C 0 0 0
- -3.2690 -0.2598 -0.0016 C 0 0 0
- 3.2188 0.0147 -0.0006 C 0 0 0
- -4.1304 -1.3603 -0.0017 C 0 0 0
- -3.7985 1.0331 0.0039 C 0 0 0
- 4.6851 -0.1885 -0.0009 N 0 3 0
- -5.4952 -1.1633 -0.0020 C 0 0 0
- -5.1659 1.2148 0.0035 C 0 0 0
- 5.1436 -1.3169 -0.0007 O 0 0 0
- 5.4332 0.7728 -0.0013 O 0 5 0
- -6.0125 0.1204 -0.0023 C 0 0 0
- -1.3752 1.5588 0.0000 H 0 0 0
- 0.9499 2.4584 0.0000 H 0 0 0
- 0.3710 -1.7200 0.0000 H 0 0 0
- -1.4185 -1.4236 0.0000 H 0 0 0
- 3.3426 2.1144 0.0000 H 0 0 0
- 2.7666 -2.0398 0.0000 H 0 0 0
- -3.7438 -2.3235 0.0000 H 0 0 0
- -3.1646 1.8548 0.0000 H 0 0 0
- -6.1361 -1.9797 0.0000 H 0 0 0
- -5.5606 2.1747 0.0000 H 0 0 0
- -7.0405 0.2628 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 7 9 1 0
- 14 17 2 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20702-77-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 82 1 V2000
- -2.9463 -1.1472 -0.1473 C 0 0 2
- -4.3787 -0.6188 -0.2522 C 0 0 2
- -2.0623 -0.2696 -0.8477 O 0 0 0
- -2.8699 -2.4527 -0.7167 O 0 0 0
- -4.4423 0.6979 0.2996 O 0 0 0
- -5.3122 -1.5473 0.5327 C 0 0 2
- -0.8051 -0.5667 -0.4333 C 0 0 0
- -3.6204 -3.3323 0.1184 C 0 0 1
- -5.1822 1.4978 -0.6249 C 0 0 1
- -5.1080 -2.9828 0.0352 C 0 0 1
- -6.6688 -1.1556 0.3129 O 0 0 0
- -0.3027 0.0192 0.7218 C 0 0 0
- -0.0304 -1.4594 -1.1640 C 0 0 0
- -3.4093 -4.7761 -0.3418 C 0 0 0
- -5.8881 2.6272 0.1289 C 0 0 1
- -4.2934 2.0468 -1.5960 O 0 0 0
- -5.8553 -3.8824 0.8564 O 0 0 0
- 0.9769 -0.2771 1.1521 C 0 0 0
- 1.2512 -1.7685 -0.7502 C 0 0 0
- -2.0214 -5.1055 -0.2552 O 0 0 0
- -4.8380 3.4757 0.8549 C 0 0 1
- -6.6027 3.4455 -0.7994 O 0 0 0
- -3.2379 2.7007 -0.8942 C 0 0 2
- 1.7715 -1.1756 0.4158 C 0 0 0
- 1.4654 0.2965 2.2797 O 0 0 0
- 2.0055 -2.6397 -1.4653 O 0 0 0
- -3.7846 3.9286 -0.1624 C 0 0 2
- -5.4673 4.6219 1.4313 O 0 0 0
- -2.1590 3.1374 -1.8872 C 0 0 0
- 3.1259 -1.4952 0.8618 C 0 0 0
- -2.7177 4.5910 0.5194 O 0 0 0
- 4.2962 -0.6953 0.3502 C 0 0 0
- 3.3084 -2.4050 1.6443 O 0 0 0
- 5.5892 -1.2310 0.9682 C 0 0 0
- 6.7595 -0.4310 0.4566 C 0 0 0
- 7.1736 0.6982 1.1381 C 0 0 0
- 7.4201 -0.8313 -0.6900 C 0 0 0
- 8.2497 1.4346 0.6693 C 0 0 0
- 8.4944 -0.1012 -1.1631 C 0 0 0
- 8.9113 1.0347 -0.4877 C 0 0 0
- 8.6581 2.5459 1.3383 O 0 0 0
- 9.9679 1.7541 -0.9518 O 0 0 0
- 10.4249 1.0992 -2.1368 C 0 0 0
- -2.0587 -1.4867 0.0000 H 0 0 0
- -5.2647 -0.2752 0.0000 H 0 0 0
- -4.4112 -1.8493 0.0000 H 0 0 0
- -2.7073 -3.5955 0.0000 H 0 0 0
- -5.9372 0.9208 0.0000 H 0 0 0
- -6.0223 -2.7239 0.0000 H 0 0 0
- -7.5818 -0.8920 0.0000 H 0 0 0
- -0.5991 0.9221 0.0000 H 0 0 0
- -0.5241 -2.2713 0.0000 H 0 0 0
- -4.3594 -4.7943 0.0000 H 0 0 0
- -3.5107 -5.7209 0.0000 H 0 0 0
- -6.6513 2.0610 0.0000 H 0 0 0
- -6.4625 -4.6134 0.0000 H 0 0 0
- -1.0968 -5.3249 0.0000 H 0 0 0
- -4.3471 2.6620 0.0000 H 0 0 0
- -7.2278 4.1613 0.0000 H 0 0 0
- -2.8079 1.8533 0.0000 H 0 0 0
- 2.0815 1.0200 0.0000 H 0 0 0
- 2.6275 -3.3581 0.0000 H 0 0 0
- -4.2241 4.7711 0.0000 H 0 0 0
- -5.9246 5.4549 0.0000 H 0 0 0
- -1.8025 2.2565 0.0000 H 0 0 0
- -1.2781 3.4939 0.0000 H 0 0 0
- -2.5155 4.0183 0.0000 H 0 0 0
- -1.9104 5.0922 0.0000 H 0 0 0
- 4.8214 0.0966 0.0000 H 0 0 0
- 3.6196 -0.0281 0.0000 H 0 0 0
- 5.0640 -2.0230 0.0000 H 0 0 0
- 6.2658 -1.8982 0.0000 H 0 0 0
- 6.4235 1.2816 0.0000 H 0 0 0
- 7.4449 -1.7813 0.0000 H 0 0 0
- 9.2435 -0.6859 0.0000 H 0 0 0
- 8.9859 3.4378 0.0000 H 0 0 0
- 9.6456 0.5554 0.0000 H 0 0 0
- 10.9687 0.3199 0.0000 H 0 0 0
- 11.2042 1.6430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 15 22 1 0
- 16 23 1 0
- 18 24 2 0
- 18 25 1 0
- 19 26 1 0
- 21 27 1 0
- 21 28 1 0
- 23 29 1 0
- 24 30 1 0
- 27 31 1 0
- 30 32 1 0
- 30 33 2 0
- 32 34 1 0
- 34 35 1 0
- 35 36 2 0
- 35 37 1 0
- 36 38 1 0
- 37 39 2 0
- 38 40 2 0
- 38 41 1 0
- 40 42 1 0
- 42 43 1 0
- 8 10 1 0
- 19 24 1 0
- 23 27 1 0
- 39 40 1 0
- 1 44 1 0
- 2 45 1 0
- 6 46 1 0
- 8 47 1 0
- 9 48 1 0
- 10 49 1 0
- 11 50 1 0
- 12 51 1 0
- 13 52 1 0
- 14 53 1 0
- 14 54 1 0
- 15 55 1 0
- 17 56 1 0
- 20 57 1 0
- 21 58 1 0
- 22 59 1 0
- 23 60 1 0
- 25 61 1 0
- 26 62 1 0
- 27 63 1 0
- 28 64 1 0
- 29 65 1 0
- 29 66 1 0
- 29 67 1 0
- 31 68 1 0
- 32 69 1 0
- 32 70 1 0
- 34 71 1 0
- 34 72 1 0
- 36 73 1 0
- 37 74 1 0
- 39 75 1 0
- 41 76 1 0
- 43 77 1 0
- 43 78 1 0
- 43 79 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-69866-21-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 85 94 1 V2000
- -7.0915 -1.5450 -0.0931 C 0 0 0
- -6.7250 -2.5707 -1.1572 C 0 0 0
- -6.5494 -0.2155 -0.5839 C 0 0 0
- -8.4084 -1.4416 0.6073 C 0 0 0
- -6.1234 -2.6720 0.2485 C 0 0 0
- -5.7203 -1.8269 -2.0604 C 0 0 0
- -5.6551 -0.4421 -1.5872 N 0 0 0
- -6.9876 0.9786 -0.1225 C 0 0 0
- -8.8695 -0.1897 1.0224 C 0 0 0
- -9.3589 -2.3732 0.9723 C 0 0 0
- -4.8164 0.4900 -2.0813 C 0 0 0
- -8.0966 1.0353 0.7731 C 0 0 0
- -10.0720 -0.3821 1.6305 N 0 0 0
- -10.3690 -1.7101 1.5964 C 0 0 0
- -9.2902 -3.8579 0.7235 C 0 0 0
- -3.5243 0.7347 -1.4286 C 0 0 0
- -5.1301 1.1288 -3.0680 O 0 0 0
- -8.3975 2.0813 1.3224 O 0 0 0
- -2.5832 1.6223 -1.8495 C 0 0 0
- -3.0716 0.1042 -0.2845 N 0 0 0
- -1.4923 1.5540 -0.9513 C 0 0 0
- -1.8210 0.5940 0.0237 C 0 0 0
- -0.2616 2.2270 -0.8848 C 0 0 0
- -0.9152 0.3219 1.0483 C 0 0 0
- 0.6283 1.9506 0.1273 C 0 0 0
- 0.3362 3.2883 -1.7814 C 0 0 0
- 0.2930 0.9886 1.0988 C 0 0 0
- -1.2224 -0.6014 1.9997 O 0 0 0
- 1.7930 2.7233 0.0179 N 0 0 0
- 1.7050 3.5985 -1.1541 C 0 0 0
- 1.1689 0.7152 2.1027 O 0 0 0
- -0.8189 -1.8728 1.4870 C 0 0 0
- 2.8391 2.6696 0.8660 C 0 0 0
- 3.9561 1.7544 0.5974 C 0 0 0
- 2.8581 3.3793 1.8543 O 0 0 0
- 5.0623 1.6105 1.3750 C 0 0 0
- 4.0483 0.8972 -0.4832 N 0 0 0
- 5.8913 0.6354 0.7715 C 0 0 0
- 5.2343 0.2010 -0.3944 C 0 0 0
- 7.1367 0.0875 1.1192 C 0 0 0
- 5.8318 -0.7729 -1.1936 C 0 0 0
- 7.7212 -0.8704 0.3239 C 0 0 0
- 8.0456 0.3634 2.2961 C 0 0 0
- 7.0584 -1.3002 -0.8407 C 0 0 0
- 5.2054 -1.2045 -2.3220 O 0 0 0
- 8.9574 -1.2883 0.8403 N 0 0 0
- 9.2498 -0.5680 2.0824 C 0 0 0
- 7.6319 -2.2501 -1.6274 O 0 0 0
- 5.5781 -0.3074 -3.3701 C 0 0 0
- 9.7572 -2.2155 0.2772 C 0 0 0
- 9.6041 -3.5174 0.5905 N 0 0 0
- 10.6170 -1.8775 -0.5134 O 0 0 0
- -7.3114 -3.2709 0.0000 H 0 0 0
- -6.0092 -3.5782 0.0000 H 0 0 0
- -5.2885 -2.3016 0.0000 H 0 0 0
- -5.3569 -2.6649 0.0000 H 0 0 0
- -4.8219 -1.6624 0.0000 H 0 0 0
- -6.4458 1.7139 0.0000 H 0 0 0
- -10.6977 0.2832 0.0000 H 0 0 0
- -11.2155 -2.0531 0.0000 H 0 0 0
- -10.2026 -3.9001 0.0000 H 0 0 0
- -9.2480 -4.7703 0.0000 H 0 0 0
- -8.3778 -3.8157 0.0000 H 0 0 0
- -2.8936 2.4813 0.0000 H 0 0 0
- -3.3305 -0.7717 0.0000 H 0 0 0
- 0.3567 4.2014 0.0000 H 0 0 0
- -0.5446 3.5299 0.0000 H 0 0 0
- 2.6093 3.7269 0.0000 H 0 0 0
- 1.5397 4.4968 0.0000 H 0 0 0
- 2.0408 0.4431 0.0000 H 0 0 0
- -1.6895 -2.1491 0.0000 H 0 0 0
- -0.5426 -2.7434 0.0000 H 0 0 0
- 0.0517 -1.5965 0.0000 H 0 0 0
- 5.4984 2.4130 0.0000 H 0 0 0
- 3.2811 0.4016 0.0000 H 0 0 0
- 8.7403 0.9563 0.0000 H 0 0 0
- 7.6072 1.1647 0.0000 H 0 0 0
- 10.0614 -0.9869 0.0000 H 0 0 0
- 9.7407 0.2022 0.0000 H 0 0 0
- 8.1040 -3.0320 0.0000 H 0 0 0
- 6.4216 -0.6578 0.0000 H 0 0 0
- 5.9285 0.5361 0.0000 H 0 0 0
- 4.7346 0.0430 0.0000 H 0 0 0
- 8.7652 -3.8786 0.0000 H 0 0 0
- 10.3363 -4.0633 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 11 16 1 0
- 11 17 2 0
- 12 18 2 0
- 16 19 2 0
- 16 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 2 0
- 23 26 1 0
- 24 27 2 0
- 24 28 1 0
- 25 29 1 0
- 26 30 1 0
- 27 31 1 0
- 28 32 1 0
- 29 33 1 0
- 33 34 1 0
- 33 35 2 0
- 34 36 2 0
- 34 37 1 0
- 36 38 1 0
- 37 39 1 0
- 38 40 1 0
- 39 41 1 0
- 40 42 2 0
- 40 43 1 0
- 41 44 2 0
- 41 45 1 0
- 42 46 1 0
- 43 47 1 0
- 44 48 1 0
- 45 49 1 0
- 46 50 1 0
- 50 51 1 0
- 50 52 2 0
- 2 5 1 0
- 6 7 1 0
- 9 12 1 0
- 13 14 1 0
- 21 22 2 0
- 25 27 1 0
- 29 30 1 0
- 38 39 2 0
- 42 44 1 0
- 46 47 1 0
- 2 53 1 0
- 5 54 1 0
- 5 55 1 0
- 6 56 1 0
- 6 57 1 0
- 8 58 1 0
- 13 59 1 0
- 14 60 1 0
- 15 61 1 0
- 15 62 1 0
- 15 63 1 0
- 19 64 1 0
- 20 65 1 0
- 26 66 1 0
- 26 67 1 0
- 30 68 1 0
- 30 69 1 0
- 31 70 1 0
- 32 71 1 0
- 32 72 1 0
- 32 73 1 0
- 36 74 1 0
- 37 75 1 0
- 43 76 1 0
- 43 77 1 0
- 47 78 1 0
- 47 79 1 0
- 48 80 1 0
- 49 81 1 0
- 49 82 1 0
- 49 83 1 0
- 51 84 1 0
- 51 85 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-150-90-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 13 1 V2000
- -2.9394 -1.1354 0.1902 C 0 0 0
- -3.9118 -0.0208 0.4783 C 0 0 0
- -1.9133 -1.2375 0.8486 O 0 0 0
- -3.1785 -1.9412 -0.6989 O 0 0 0
- -5.1005 -0.1205 -0.4798 C 0 0 0
- -6.0729 0.9941 -0.1916 C 0 0 0
- -5.8362 1.7969 0.7007 O 0 0 0
- -7.0990 1.0962 -0.8501 O 0 0 0
- 6.6853 -0.2941 0.2800 Na 0 3 0
- 15.2768 0.6406 -0.2787 Na 0 3 0
- -3.2354 0.3541 0.0000 H 0 0 0
- -4.1366 0.7192 0.0000 H 0 0 0
- -5.7769 -0.4954 0.0000 H 0 0 0
- -4.8757 -0.8605 0.0000 H 0 0 0
- -3.3985 -2.6826 0.0000 H 0 0 0
- -7.8686 1.1728 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 2 0
- 6 8 1 0
- 2 11 1 0
- 2 12 1 0
- 5 13 1 0
- 5 14 1 0
- 4 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89641-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.3177 0.0301 -0.0024 C 0 0 0
- -1.3769 0.9680 -0.0019 C 0 0 0
- 1.0036 0.4225 -0.0004 C 0 0 0
- -1.1704 -1.5234 0.0014 S 0 0 0
- -2.6840 0.3395 -0.0042 C 0 0 0
- -1.0185 2.3350 0.0000 C 0 0 0
- 1.3107 1.7578 0.0021 C 0 0 0
- 2.0824 -0.5908 -0.0005 N 0 3 0
- -2.7813 -0.9546 0.0034 N 0 0 0
- 0.2912 2.7017 0.0012 C 0 0 0
- 3.2485 -0.2389 0.0012 O 0 0 0
- 1.8041 -1.7766 -0.0023 O 0 5 0
- -3.5447 0.9269 0.0000 H 0 0 0
- -1.7614 3.0657 0.0000 H 0 0 0
- 2.3065 2.0647 0.0000 H 0 0 0
- 0.5358 3.7146 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 5 9 2 0
- 7 10 2 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-456-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.9716 0.0001 0.0038 C 0 0 0
- -0.2828 -1.2002 0.0040 C 0 0 0
- -0.2830 1.2000 0.0020 C 0 0 0
- -2.4516 0.0000 -0.0007 N 0 3 0
- 1.0964 -1.2075 0.0023 C 0 0 0
- 1.0966 1.2073 0.0004 C 0 0 0
- -3.0606 1.0549 -0.0009 O 0 0 0
- -3.0606 -1.0548 -0.0042 O 0 5 0
- 1.7978 0.0001 0.0005 C 0 0 0
- 3.1528 0.0001 -0.0015 N 0 3 0
- 4.1863 0.0001 -0.0031 N 0 0 0
- -0.8037 -2.0942 0.0000 H 0 0 0
- -0.8039 2.0940 0.0000 H 0 0 0
- 1.6102 -2.1056 0.0000 H 0 0 0
- 1.6104 2.1054 0.0000 H 0 0 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 3 0
- 6 9 2 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80657-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 1.8579 -0.6860 -0.5521 C 0 0 1
- 0.5678 -0.8820 0.2203 C 0 0 1
- 2.5447 0.5611 0.0744 C 0 0 2
- 2.9325 -1.7586 -0.3462 C 0 0 0
- -0.2513 0.3770 0.0266 C 0 0 0
- -0.2134 -2.0854 -0.3010 C 0 0 0
- 1.7198 1.7499 -0.2819 C 0 0 0
- 3.9592 0.4989 -0.4872 C 0 0 2
- 2.5999 0.4089 1.5958 C 0 0 0
- 4.2445 -1.0086 -0.7065 C 0 0 0
- -1.6087 0.3348 0.1073 C 0 0 0
- 0.3825 1.6109 -0.2774 C 0 0 0
- -1.5386 -2.1686 0.4657 C 0 0 0
- 4.8771 1.0223 0.4749 O 0 0 0
- -2.2955 -0.8768 0.2699 C 0 0 0
- -2.3691 1.6388 0.0618 C 0 0 0
- -3.6584 -0.9147 0.2276 C 0 0 0
- -3.7076 1.4470 -0.6458 C 0 0 0
- -4.3998 0.2230 -0.1067 C 0 0 0
- -5.6065 0.2237 0.0380 O 0 0 0
- 1.2603 0.1707 0.0000 H 0 0 0
- 1.1340 -1.7598 0.0000 H 0 0 0
- 2.1318 -2.4294 0.0000 H 0 0 0
- 3.5294 -2.6158 0.0000 H 0 0 0
- -0.3696 -3.1182 0.0000 H 0 0 0
- 0.7631 -2.4563 0.0000 H 0 0 0
- 2.1555 2.6992 0.0000 H 0 0 0
- 3.7138 1.5142 0.0000 H 0 0 0
- 1.6179 0.0528 0.0000 H 0 0 0
- 2.9560 -0.5731 0.0000 H 0 0 0
- 3.5819 0.7650 0.0000 H 0 0 0
- 4.6595 -1.9672 0.0000 H 0 0 0
- 5.2431 -0.7021 0.0000 H 0 0 0
- -0.2072 2.4730 0.0000 H 0 0 0
- -2.5108 -2.5504 0.0000 H 0 0 0
- -1.3122 -3.1883 0.0000 H 0 0 0
- 5.7845 1.5397 0.0000 H 0 0 0
- -1.4068 2.0450 0.0000 H 0 0 0
- -2.6486 2.6453 0.0000 H 0 0 0
- -4.1433 -1.8399 0.0000 H 0 0 0
- -3.6276 2.4885 0.0000 H 0 0 0
- -4.7068 1.7514 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 11 15 1 0
- 11 16 1 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 19 20 2 0
- 7 12 2 0
- 8 10 1 0
- 13 15 1 0
- 18 19 1 0
- 1 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 14 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.1514 -0.0480 0.0033 C 0 0 0
- 0.5525 -1.2586 0.0029 C 0 0 0
- 0.5668 1.1493 0.0009 C 0 0 0
- -1.6285 -0.0378 0.0001 C 0 0 0
- 1.9356 -1.2130 0.0001 C 0 0 0
- 1.8834 1.1401 -0.0016 N 0 0 0
- -2.2941 1.1334 0.0005 O 0 0 0
- -2.2431 -1.0856 -0.0030 O 0 0 0
- 2.5726 0.0147 -0.0021 C 0 0 0
- 0.0501 -2.1662 0.0000 H 0 0 0
- 0.0588 2.0537 0.0000 H 0 0 0
- 2.4889 -2.0905 0.0000 H 0 0 0
- -2.8066 2.0353 0.0000 H 0 0 0
- 3.6093 0.0515 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1155-38-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.8726 2.1547 -0.2534 C 0 0 0
- -0.1366 1.0337 -0.1533 C 0 0 0
- 2.3631 1.7861 -0.2509 C 0 0 0
- 1.6674 2.1791 0.9339 O 0 0 0
- 0.3005 -0.2966 -0.0627 C 0 0 0
- -1.4614 1.3384 -0.1524 C 0 0 0
- 2.7344 0.3261 -0.1506 C 0 0 0
- 1.7434 -0.6444 -0.0614 C 0 0 0
- -0.6246 -1.3255 0.0292 C 0 0 0
- -2.4213 0.3160 -0.0601 C 0 0 0
- -1.9018 2.7763 -0.2501 C 0 0 0
- 4.0664 -0.0378 -0.1469 C 0 0 0
- 2.1104 -1.9902 0.0313 C 0 0 0
- -1.9957 -1.0333 0.0312 C 0 0 0
- -3.7959 0.6062 -0.0561 C 0 0 0
- 4.4218 -1.3711 -0.0556 C 0 0 0
- 3.4426 -2.3443 0.0350 C 0 0 0
- -2.9586 -2.0543 0.1238 C 0 0 0
- -4.6991 -0.4082 0.0353 C 0 0 0
- -4.2814 -1.7349 0.1235 C 0 0 0
- 0.4331 3.1024 0.0000 H 0 0 0
- 3.1930 2.4207 0.0000 H 0 0 0
- -0.3017 -2.3190 0.0000 H 0 0 0
- -0.9029 3.0822 0.0000 H 0 0 0
- -2.2077 3.7752 0.0000 H 0 0 0
- -2.9007 2.4704 0.0000 H 0 0 0
- 4.8074 0.6986 0.0000 H 0 0 0
- 1.3741 -2.7313 0.0000 H 0 0 0
- -4.1222 1.5986 0.0000 H 0 0 0
- 5.4303 -1.6437 0.0000 H 0 0 0
- 3.7124 -3.3535 0.0000 H 0 0 0
- -2.6610 -3.0557 0.0000 H 0 0 0
- -5.7206 -0.1892 0.0000 H 0 0 0
- -4.9945 -2.4983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 18 20 2 0
- 3 4 1 0
- 7 8 2 0
- 10 14 2 0
- 16 17 1 0
- 19 20 1 0
- 1 21 1 0
- 3 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-603-02-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.0537 0.0874 -0.0048 C 0 0 0
- -0.2132 -0.4647 -0.0244 C 0 0 0
- 1.2089 1.4594 0.0658 C 0 0 0
- 2.2444 -0.7906 -0.0533 N 0 3 0
- -1.3253 0.3551 0.0266 C 0 0 0
- -0.3824 -1.9602 -0.1020 C 0 0 0
- 0.0972 2.2789 0.1169 C 0 0 0
- 2.5903 2.0613 0.0876 C 0 0 0
- 2.7286 -1.1014 -1.1268 O 0 0 0
- 2.7400 -1.2023 0.9803 O 0 5 0
- -1.1702 1.7266 0.0978 C 0 0 0
- -2.6822 -0.2361 0.0047 N 0 3 0
- -3.4086 -0.0578 -0.9565 O 0 0 0
- -3.0722 -0.9008 0.9478 O 0 5 0
- -1.4119 -1.8437 0.0000 H 0 0 0
- -0.4989 -2.9897 0.0000 H 0 0 0
- 0.6471 -2.0767 0.0000 H 0 0 0
- 0.2131 3.3084 0.0000 H 0 0 0
- 3.0041 1.1115 0.0000 H 0 0 0
- 3.5401 2.4751 0.0000 H 0 0 0
- 2.1765 3.0111 0.0000 H 0 0 0
- -2.0035 2.3422 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 11 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-87-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.8679 -0.2736 0.0024 C 0 0 0
- -0.0031 -1.3729 0.0013 C 0 0 0
- -0.3407 1.0215 0.0020 C 0 0 0
- -2.3252 -0.4790 -0.0021 C 0 0 0
- 1.3609 -1.1723 -0.0002 C 0 0 0
- 1.0261 1.2057 0.0005 C 0 0 0
- -3.0720 0.4763 -0.0012 O 0 0 0
- 1.8751 0.1129 -0.0006 C 0 0 0
- 3.3674 0.3232 -0.0017 C 0 0 0
- -0.3873 -2.3374 0.0000 H 0 0 0
- -0.9765 1.8422 0.0000 H 0 0 0
- -2.7138 -1.4417 0.0000 H 0 0 0
- 2.0041 -1.9873 0.0000 H 0 0 0
- 1.4190 2.1666 0.0000 H 0 0 0
- 3.5123 -0.7048 0.0000 H 0 0 0
- 4.3954 0.4681 0.0000 H 0 0 0
- 3.2225 1.3512 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.2089 0.5153 -0.0020 C 0 0 0
- -0.6885 -0.8052 -0.0012 C 0 0 0
- 1.1822 0.7158 -0.0002 C 0 0 0
- -1.2893 1.3325 0.0010 N 0 0 0
- 0.1828 -1.8091 0.0001 N 0 0 0
- -2.0572 -0.7105 -0.0024 N 0 0 0
- 1.9756 -0.3501 0.0021 N 0 0 0
- 1.7133 1.9938 -0.0013 N 0 0 0
- -2.3751 0.6150 0.0034 C 0 0 0
- 1.4777 -1.5734 0.0006 C 0 0 0
- -2.7135 -1.4861 0.0000 H 0 0 0
- 2.7207 2.1252 0.0000 H 0 0 0
- 1.0957 2.8006 0.0000 H 0 0 0
- -3.3202 0.9878 0.0000 H 0 0 0
- 2.1182 -2.3620 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 9 1 0
- 7 10 1 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -0.8496 -0.0479 0.3075 C 0 0 0
- -0.1502 -0.6565 -0.9146 C 0 0 0
- -0.3633 1.3932 0.4756 C 0 0 0
- -2.3403 -0.0526 0.0872 C 0 0 0
- 1.3404 -0.7978 -0.5987 C 0 0 0
- 1.1357 1.4423 0.4233 C 0 0 0
- -2.9318 0.6946 -1.0803 C 0 0 0
- -3.1221 -0.7061 0.9105 C 0 0 0
- 1.8765 0.4912 -0.0480 C 0 0 0
- 1.5272 -1.8399 0.3610 O 0 0 0
- 3.3702 0.6907 -0.0435 C 0 0 0
- -1.2150 -1.0291 0.0000 H 0 0 0
- -1.0492 -1.1933 0.0000 H 0 0 0
- 0.0802 -1.6779 0.0000 H 0 0 0
- -0.2727 2.4363 0.0000 H 0 0 0
- -1.3882 1.6074 0.0000 H 0 0 0
- 2.3813 -0.9111 0.0000 H 0 0 0
- 1.5799 2.3904 0.0000 H 0 0 0
- -2.1109 1.3445 0.0000 H 0 0 0
- -3.5817 1.5155 0.0000 H 0 0 0
- -3.7527 0.0447 0.0000 H 0 0 0
- -4.1053 -0.3461 0.0000 H 0 0 0
- -2.9422 -1.7376 0.0000 H 0 0 0
- 1.7119 -2.8705 0.0000 H 0 0 0
- 3.5088 -0.3471 0.0000 H 0 0 0
- 4.4080 0.8293 0.0000 H 0 0 0
- 3.2316 1.7285 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 9 11 1 0
- 6 9 2 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148-24-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4499 0.9601 -0.0026 C 0 0 0
- -0.0289 -0.3924 -0.0015 C 0 0 0
- 0.5093 1.9862 -0.0015 C 0 0 0
- -1.8280 1.2456 0.0010 C 0 0 0
- 1.3524 -0.6798 0.0003 C 0 0 0
- -0.9371 -1.3718 -0.0017 N 0 0 0
- 1.8342 1.6720 0.0007 C 0 0 0
- -2.7033 0.1968 0.0054 C 0 0 0
- 2.2553 0.3447 0.0009 C 0 0 0
- 1.7818 -1.9686 0.0018 O 0 0 0
- -2.2218 -1.1102 -0.0030 C 0 0 0
- 0.2104 2.9765 0.0000 H 0 0 0
- -2.1686 2.2224 0.0000 H 0 0 0
- 2.5380 2.4302 0.0000 H 0 0 0
- -3.7226 0.3731 0.0000 H 0 0 0
- 3.2676 0.1315 0.0000 H 0 0 0
- 2.1088 -2.9500 0.0000 H 0 0 0
- -2.8956 -1.8951 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-286-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 2.0076 0.6304 0.6828 C 0 0 0
- 1.9388 -0.4632 -0.3642 C 0 0 0
- 3.1502 0.2045 -0.0575 O 0 0 0
- 1.4787 1.9563 0.2012 C 0 0 0
- 1.7677 -1.8400 0.1449 C 0 0 0
- 0.2040 1.7651 -0.6227 C 0 0 0
- 0.3938 -2.4200 -0.1964 C 0 0 0
- -1.0180 1.9221 0.2845 C 0 0 0
- -0.6234 -1.2836 -0.3180 C 0 0 0
- -2.2708 1.4621 -0.4641 C 0 0 0
- -1.9007 -1.6595 0.4358 C 0 0 0
- -3.0919 0.5369 0.4363 C 0 0 0
- -3.0826 -0.8790 -0.1434 C 0 0 0
- 1.0012 0.4697 0.0000 H 0 0 0
- 0.9240 -0.3683 0.0000 H 0 0 0
- 2.4516 2.2601 0.0000 H 0 0 0
- 1.2505 2.9496 0.0000 H 0 0 0
- 1.9952 -2.8335 0.0000 H 0 0 0
- 2.7856 -1.7883 0.0000 H 0 0 0
- -0.3366 0.9011 0.0000 H 0 0 0
- 0.7628 0.9127 0.0000 H 0 0 0
- -0.4358 -3.0121 0.0000 H 0 0 0
- 0.8910 -3.3096 0.0000 H 0 0 0
- -0.5370 2.8206 0.0000 H 0 0 0
- -1.6867 2.6913 0.0000 H 0 0 0
- 0.2279 -0.7232 0.0000 H 0 0 0
- -1.0521 -0.3590 0.0000 H 0 0 0
- -2.2633 2.4813 0.0000 H 0 0 0
- -3.2223 1.8274 0.0000 H 0 0 0
- -2.6440 -2.3568 0.0000 H 0 0 0
- -1.3944 -2.5440 0.0000 H 0 0 0
- -3.6380 1.3974 0.0000 H 0 0 0
- -4.0697 0.2493 0.0000 H 0 0 0
- -4.0834 -0.6864 0.0000 H 0 0 0
- -3.4672 -1.8228 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 13 11 1 0
- 2 3 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-555-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.9675 -0.0275 0.0038 C 0 0 0
- -0.3905 -1.2858 0.0034 C 0 0 0
- -0.1734 1.1058 0.0025 C 0 0 0
- -2.4415 0.1064 -0.0007 N 0 3 0
- 0.9818 -1.4188 0.0018 C 0 0 0
- 1.2007 0.9894 0.0009 C 0 0 0
- -2.9525 1.2120 -0.0003 O 0 0 0
- -3.1434 -0.8890 -0.0047 O 0 5 0
- 1.7913 -0.2782 0.0005 C 0 0 0
- 3.2569 -0.4113 -0.0017 C 0 0 0
- 3.9557 0.5796 -0.0028 O 0 0 0
- -0.9925 -2.1313 0.0000 H 0 0 0
- -0.6132 2.0459 0.0000 H 0 0 0
- 1.4130 -2.3628 0.0000 H 0 0 0
- 1.7950 1.8403 0.0000 H 0 0 0
- 3.6924 -1.3534 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 2.0099 0.0147 -0.3849 C 0 0 0
- 0.6679 -0.3524 -0.5290 N 0 0 0
- 3.0163 -0.8665 -0.7575 C 0 0 0
- 2.3387 1.2639 0.1261 C 0 0 0
- 0.0142 -0.9900 0.5013 C 0 0 0
- 4.3406 -0.5008 -0.6138 C 0 0 0
- 3.6644 1.6233 0.2672 C 0 0 0
- -1.2722 -1.4464 0.3224 N 0 0 0
- 0.6132 -1.1614 1.6460 N 0 0 0
- 4.6645 0.7411 -0.0996 C 0 0 0
- -2.3120 -0.5378 0.0995 C 0 0 0
- -3.3003 -0.8262 -0.8324 C 0 0 0
- -2.3615 0.6524 0.8140 C 0 0 0
- -4.3261 0.0730 -1.0498 C 0 0 0
- -3.3896 1.5470 0.5919 C 0 0 0
- -4.3695 1.2591 -0.3407 C 0 0 0
- 0.1709 0.5156 0.0000 H 0 0 0
- 2.7933 -1.8415 0.0000 H 0 0 0
- 1.6289 1.9685 0.0000 H 0 0 0
- 5.0529 -1.2030 0.0000 H 0 0 0
- 3.8915 2.5974 0.0000 H 0 0 0
- -1.4597 -2.4289 0.0000 H 0 0 0
- 1.5748 -1.4366 0.0000 H 0 0 0
- 5.6211 1.0332 0.0000 H 0 0 0
- -3.5165 -1.8027 0.0000 H 0 0 0
- -1.4601 1.0858 0.0000 H 0 0 0
- -5.2294 -0.3565 0.0000 H 0 0 0
- -3.1761 2.5241 0.0000 H 0 0 0
- -5.1811 1.8437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 15 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-81-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.5215 0.0000 -0.3525 C 0 0 0
- -0.6813 -0.7065 0.2760 C 0 0 0
- 0.5873 1.4424 0.1536 C 0 0 0
- 1.8054 -0.7359 0.0360 C 0 0 0
- -1.9141 0.0000 -0.0970 N 0 0 0
- -0.3985 0.5548 0.0000 H 0 0 0
- -1.3680 -1.5326 0.0000 H 0 0 0
- 0.0142 -1.5253 0.0000 H 0 0 0
- 1.6605 1.3934 0.0000 H 0 0 0
- 0.6363 2.5156 0.0000 H 0 0 0
- -0.4859 1.4914 0.0000 H 0 0 0
- 1.2712 -1.6679 0.0000 H 0 0 0
- 2.7374 -1.2701 0.0000 H 0 0 0
- 2.3396 0.1961 0.0000 H 0 0 0
- -1.9175 1.0743 0.0000 H 0 0 0
- -2.8427 -0.5401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101901-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- 2.3038 0.3162 -0.3367 C 0 0 0
- 0.8058 0.4474 -0.2066 C 0 0 0
- 2.8856 1.6219 -0.3048 O 0 0 0
- 2.8485 -0.5163 0.8257 C 0 0 0
- 2.6456 -0.3652 -1.6633 C 0 0 0
- 0.2206 1.5597 0.2991 C 0 0 0
- -0.1560 -0.4619 -0.5498 N 0 0 0
- 2.4853 2.2673 0.9033 C 0 0 0
- 2.1745 -1.8641 0.8374 C 0 0 0
- 3.9203 0.2534 -2.2407 C 0 0 0
- -1.2061 1.3468 0.2712 C 0 0 0
- 1.0279 2.7401 0.7798 C 0 0 0
- -1.3936 0.0492 -0.2751 C 0 0 0
- 2.3837 -2.7103 1.8581 O 0 0 0
- 1.4457 -2.1831 -0.0721 O 0 0 0
- -2.2953 2.1358 0.6561 C 0 0 0
- -2.6739 -0.4737 -0.4398 C 0 0 0
- -3.5461 1.5995 0.4824 C 0 0 0
- -3.7369 0.3293 -0.0483 C 0 0 0
- -2.8955 -1.8480 -1.0170 C 0 0 0
- -5.0044 -0.1409 -0.1911 O 0 0 0
- -2.7816 -2.8926 0.0950 C 0 0 0
- 3.6560 -1.1170 0.0000 H 0 0 0
- 3.5813 0.1736 0.0000 H 0 0 0
- 1.7440 -0.8125 0.0000 H 0 0 0
- 3.0890 -1.2688 0.0000 H 0 0 0
- 0.0270 -1.4516 0.0000 H 0 0 0
- 3.4565 2.5314 0.0000 H 0 0 0
- 2.5095 3.2735 0.0000 H 0 0 0
- 4.3597 -0.6521 0.0000 H 0 0 0
- 4.8258 0.6928 0.0000 H 0 0 0
- 3.4809 1.1589 0.0000 H 0 0 0
- 1.4282 3.6635 0.0000 H 0 0 0
- 0.1468 3.2266 0.0000 H 0 0 0
- 2.6253 -3.6874 0.0000 H 0 0 0
- -2.1839 3.1361 0.0000 H 0 0 0
- -4.3428 2.2145 0.0000 H 0 0 0
- -3.7296 -1.2847 0.0000 H 0 0 0
- -3.7574 -2.3678 0.0000 H 0 0 0
- -5.9480 -0.4910 0.0000 H 0 0 0
- -3.7821 -3.0017 0.0000 H 0 0 0
- -2.6725 -3.8931 0.0000 H 0 0 0
- -1.7811 -2.7835 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 2 0
- 11 16 1 0
- 13 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 8 12 1 0
- 11 13 2 0
- 18 19 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 12 33 1 0
- 12 34 1 0
- 14 35 1 0
- 16 36 1 0
- 18 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-623-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.0861 0.2666 -0.0013 C 0 0 0
- -0.2889 0.5888 -0.0002 C 0 0 0
- 2.1341 1.1676 -0.0004 C 0 0 0
- 1.6121 -0.9766 0.0023 O 0 0 0
- -1.2215 -0.4047 -0.0013 C 0 0 0
- 3.3123 0.4084 -0.0013 C 0 0 0
- 2.9493 -0.8947 0.0005 C 0 0 0
- -2.5867 -0.0847 -0.0002 C 0 0 0
- -3.6181 -1.1835 -0.0014 C 0 0 0
- -2.9383 1.0788 0.0019 O 0 0 0
- -0.5866 1.5741 0.0000 H 0 0 0
- 2.0633 2.1944 0.0000 H 0 0 0
- -0.9238 -1.3900 0.0000 H 0 0 0
- 4.2744 0.7742 0.0000 H 0 0 0
- 3.5966 -1.6949 0.0000 H 0 0 0
- -4.3686 -0.4791 0.0000 H 0 0 0
- -4.3225 -1.9340 0.0000 H 0 0 0
- -2.8676 -1.8879 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 6 7 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-303-45-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 71 1 V2000
- 3.4798 0.5659 -0.6450 C 0 0 0
- 2.9342 -0.4351 0.1934 C 0 0 0
- 4.8691 0.7860 -0.6493 C 0 0 0
- 2.6244 1.3312 -1.4587 C 0 0 0
- 3.8349 -1.2214 1.0408 C 0 0 0
- 1.5514 -0.6575 0.2012 C 0 0 0
- 5.6969 0.0489 0.1426 C 0 0 0
- 5.4499 1.8517 -1.5426 C 0 0 0
- 1.2839 1.1087 -1.4378 C 0 0 0
- 5.2061 -0.9523 0.9892 C 0 0 0
- 3.3114 -2.2639 1.9209 C 0 0 0
- 0.7319 0.1123 -0.6189 C 0 0 0
- 1.0153 -1.6149 1.0018 O 0 0 0
- 7.0342 0.2919 0.1101 O 0 0 0
- 6.1778 2.8918 -0.6888 C 0 0 0
- 6.4376 1.2138 -2.5216 C 0 0 0
- 0.3793 1.9363 -2.3142 C 0 0 0
- 6.0632 -1.6635 1.7616 O 0 0 0
- 4.0551 -2.8415 2.6870 O 0 0 0
- -0.7316 -0.1140 -0.6189 C 0 0 0
- -1.5492 0.6436 0.2144 C 0 0 0
- -1.2872 -1.0869 -1.4632 C 0 0 0
- -2.9321 0.4216 0.2061 C 0 0 0
- -1.0113 1.5887 1.0282 O 0 0 0
- -2.6273 -1.3121 -1.4810 C 0 0 0
- -0.3859 -1.8927 -2.3629 C 0 0 0
- -3.4797 -0.5664 -0.6462 C 0 0 0
- -3.8309 1.1953 1.0671 C 0 0 0
- -4.8690 -0.7865 -0.6506 C 0 0 0
- -5.2023 0.9273 1.0143 C 0 0 0
- -3.3053 2.2242 1.9619 C 0 0 0
- -5.6950 -0.0617 0.1544 C 0 0 0
- -5.4518 -1.8385 -1.5587 C 0 0 0
- -6.0576 1.6265 1.7994 O 0 0 0
- -4.0678 2.9225 2.5980 O 0 0 0
- -7.0324 -0.3039 0.1210 O 0 0 0
- -6.1779 -2.8915 -0.7192 C 0 0 0
- -6.4418 -1.1858 -2.5256 C 0 0 0
- 2.8704 2.1780 0.0000 H 0 0 0
- 4.7003 2.3162 0.0000 H 0 0 0
- 2.4513 -2.4585 0.0000 H 0 0 0
- 0.5845 -2.3843 0.0000 H 0 0 0
- 7.9018 0.4496 0.0000 H 0 0 0
- 6.9003 2.3862 0.0000 H 0 0 0
- 6.6834 3.6143 0.0000 H 0 0 0
- 5.4553 3.3974 0.0000 H 0 0 0
- 5.9592 0.4730 0.0000 H 0 0 0
- 7.1784 0.7354 0.0000 H 0 0 0
- 6.9160 1.9546 0.0000 H 0 0 0
- 0.9745 2.5869 0.0000 H 0 0 0
- -0.2713 2.5315 0.0000 H 0 0 0
- -0.2159 1.2857 0.0000 H 0 0 0
- 6.7418 -2.2266 0.0000 H 0 0 0
- -0.5751 2.3551 0.0000 H 0 0 0
- -2.8677 -2.1605 0.0000 H 0 0 0
- -0.9737 -2.5501 0.0000 H 0 0 0
- 0.2715 -2.4805 0.0000 H 0 0 0
- 0.2019 -1.2353 0.0000 H 0 0 0
- -2.4375 2.3808 0.0000 H 0 0 0
- -4.7022 -2.3030 0.0000 H 0 0 0
- -6.7403 2.1846 0.0000 H 0 0 0
- -7.9001 -0.4610 0.0000 H 0 0 0
- -6.9039 -2.3909 0.0000 H 0 0 0
- -6.6785 -3.6175 0.0000 H 0 0 0
- -5.4519 -3.3921 0.0000 H 0 0 0
- -5.9564 -0.4496 0.0000 H 0 0 0
- -7.1780 -0.7004 0.0000 H 0 0 0
- -6.9272 -1.9220 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 12 20 1 0
- 20 21 2 0
- 20 22 1 0
- 21 23 1 0
- 21 24 1 0
- 22 25 2 0
- 22 26 1 0
- 23 27 2 0
- 23 28 1 0
- 27 29 1 0
- 28 30 2 0
- 28 31 1 0
- 29 32 2 0
- 29 33 1 0
- 30 34 1 0
- 31 35 2 0
- 32 36 1 0
- 33 37 1 0
- 33 38 1 0
- 7 10 1 0
- 9 12 1 0
- 25 27 1 0
- 30 32 1 0
- 4 39 1 0
- 8 40 1 0
- 11 41 1 0
- 13 42 1 0
- 14 43 1 0
- 15 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 24 54 1 0
- 25 55 1 0
- 26 56 1 0
- 26 57 1 0
- 26 58 1 0
- 31 59 1 0
- 33 60 1 0
- 34 61 1 0
- 36 62 1 0
- 37 63 1 0
- 37 64 1 0
- 37 65 1 0
- 38 66 1 0
- 38 67 1 0
- 38 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-41340-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.1554 -0.3949 -0.3284 C 0 0 0
- -0.9939 0.4136 -0.2631 C 0 0 0
- 1.2870 0.5221 -0.4845 C 0 0 0
- 0.0366 -1.7832 -0.2377 C 0 0 0
- -2.2407 -0.1852 -0.1128 C 0 0 0
- -0.5774 1.7213 -0.3726 N 0 0 0
- 0.7839 1.7665 -0.5037 C 0 0 0
- 2.7403 0.1409 -0.6011 C 0 0 0
- -1.1972 -2.3499 -0.0857 C 0 0 0
- -2.3354 -1.5569 -0.0299 C 0 0 0
- -3.4835 0.6642 -0.0403 C 0 0 0
- 3.3673 0.0892 0.7936 C 0 0 0
- -3.7679 1.0284 1.4182 C 0 0 0
- 4.7454 -0.2723 0.6831 O 0 0 0
- 0.8852 -2.3798 0.0000 H 0 0 0
- -1.2034 2.5485 0.0000 H 0 0 0
- 1.3495 2.6361 0.0000 H 0 0 0
- 2.0547 -0.6376 0.0000 H 0 0 0
- 3.1282 -0.8212 0.0000 H 0 0 0
- -1.2894 -3.3832 0.0000 H 0 0 0
- -3.2710 -2.0050 0.0000 H 0 0 0
- -4.4906 0.4155 0.0000 H 0 0 0
- -3.6679 -0.3566 0.0000 H 0 0 0
- 4.0529 0.8677 0.0000 H 0 0 0
- 2.9794 1.0513 0.0000 H 0 0 0
- -2.9503 1.6669 0.0000 H 0 0 0
- -4.4064 1.8460 0.0000 H 0 0 0
- -4.5855 0.3899 0.0000 H 0 0 0
- 5.7488 -0.5355 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 6 7 1 0
- 9 10 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1506-02-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 2.2471 -2.2732 0.9834 C 0 0 0
- 2.0641 -1.1221 -0.0077 C 0 0 0
- 2.4341 -1.6027 -1.4124 C 0 0 0
- 0.6229 -0.6819 0.0030 C 0 0 0
- 2.9818 0.0328 0.3871 C 0 0 0
- 0.2543 0.6465 -0.0242 C 0 0 0
- -0.3530 -1.6728 0.0409 C 0 0 0
- 4.4383 -0.3663 0.1417 C 0 0 0
- 2.6316 1.2474 -0.4805 C 0 0 0
- -1.0882 0.9900 -0.0207 C 0 0 0
- 1.2614 1.7668 -0.0505 C 0 0 0
- -1.6890 -1.3455 0.0475 C 0 0 0
- -2.0708 -0.0001 0.0155 C 0 0 0
- 0.7964 2.8399 -1.0370 C 0 0 0
- 1.3705 2.3798 1.3471 C 0 0 0
- -2.7350 -2.4296 0.0886 C 0 0 0
- -3.4957 0.3676 0.0194 C 0 0 0
- -4.1356 0.8903 1.2798 C 0 0 0
- -4.1550 0.2501 -0.9915 O 0 0 0
- 1.2188 -2.4367 0.0000 H 0 0 0
- 2.4106 -3.3015 0.0000 H 0 0 0
- 3.2754 -2.1097 0.0000 H 0 0 0
- 1.6091 -2.2379 0.0000 H 0 0 0
- 3.0693 -2.4277 0.0000 H 0 0 0
- 3.2591 -0.9675 0.0000 H 0 0 0
- 1.9604 0.2349 0.0000 H 0 0 0
- -0.0689 -2.6745 0.0000 H 0 0 0
- 4.1631 -1.3705 0.0000 H 0 0 0
- 5.4425 -0.6415 0.0000 H 0 0 0
- 4.7135 0.6379 0.0000 H 0 0 0
- 3.6705 1.3164 0.0000 H 0 0 0
- 2.7851 2.2772 0.0000 H 0 0 0
- -1.3653 1.9937 0.0000 H 0 0 0
- 1.7518 3.2539 0.0000 H 0 0 0
- 0.3824 3.7953 0.0000 H 0 0 0
- -0.1590 2.4259 0.0000 H 0 0 0
- 2.3956 2.1974 0.0000 H 0 0 0
- 1.5529 3.4049 0.0000 H 0 0 0
- 0.3454 2.5622 0.0000 H 0 0 0
- -3.4843 -1.7066 0.0000 H 0 0 0
- -3.4580 -3.1789 0.0000 H 0 0 0
- -1.9857 -3.1526 0.0000 H 0 0 0
- -3.4769 1.6967 0.0000 H 0 0 0
- -4.9420 1.5490 0.0000 H 0 0 0
- -4.7943 0.0839 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 6 1 0
- 12 7 2 0
- 13 10 2 0
- 14 11 1 0
- 15 11 1 0
- 16 12 1 0
- 17 13 1 0
- 18 17 1 0
- 19 17 2 0
- 9 11 1 0
- 12 13 1 0
- 1 20 1 0
- 1 21 1 0
- 1 22 1 0
- 3 23 1 0
- 3 24 1 0
- 3 25 1 0
- 5 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 16 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-61-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -1.2862 0.7466 0.0575 C 0 0 0
- -1.5853 -0.6314 0.0409 C 0 0 0
- 0.1094 1.1891 0.2367 C 0 0 0
- -2.3126 1.6788 -0.1014 C 0 0 0
- -0.5000 -1.6167 0.2030 C 0 0 0
- -2.9058 -1.0500 -0.1293 C 0 0 0
- 1.2006 0.2065 0.0908 C 0 0 0
- 0.3578 2.3500 0.5012 O 0 0 0
- -3.6246 1.2414 -0.2755 C 0 0 0
- -2.0342 3.0061 -0.0871 O 0 0 0
- 0.9020 -1.1721 0.0748 C 0 0 0
- -0.7569 -2.7817 0.4399 O 0 0 0
- -3.9181 -0.1040 -0.2819 C 0 0 0
- -3.2030 -2.3732 -0.1466 O 0 0 0
- 2.5235 0.6284 -0.0318 C 0 0 0
- 1.9284 -2.1009 -0.0627 C 0 0 0
- 3.5418 -0.3216 -0.1700 C 0 0 0
- 2.8219 1.9516 -0.0176 O 0 0 0
- 3.2388 -1.6729 -0.1831 C 0 0 0
- 4.8322 0.0831 -0.2904 O 0 0 0
- -4.3974 1.9356 0.0000 H 0 0 0
- -1.8210 4.0228 0.0000 H 0 0 0
- -4.9098 -0.4132 0.0000 H 0 0 0
- -3.4306 -3.3867 0.0000 H 0 0 0
- 1.7119 -3.1169 0.0000 H 0 0 0
- 3.0504 2.9649 0.0000 H 0 0 0
- 4.0074 -2.3717 0.0000 H 0 0 0
- 5.8234 0.3940 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 11 16 2 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 7 11 1 0
- 9 13 1 0
- 17 19 2 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 18 26 1 0
- 19 27 1 0
- 20 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42978-43-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- -1.2028 0.1277 0.0965 C 0 0 0
- -2.4402 -0.5343 0.0079 C 0 0 0
- -1.1405 1.5206 -0.0864 C 0 0 0
- 0.0111 -0.6377 0.3847 C 0 0 0
- -3.6095 0.2120 -0.2648 C 0 0 0
- -2.5107 -1.9336 0.1909 C 0 0 0
- 0.1615 2.1774 0.0124 C 0 0 0
- -2.3183 2.2422 -0.3566 C 0 0 0
- 1.2297 0.0144 0.4715 C 0 0 0
- -0.0967 -2.0847 0.5745 C 0 0 0
- -3.5157 1.6103 -0.4434 C 0 0 0
- -4.8362 -0.4579 -0.3508 C 0 0 0
- -1.2970 -2.6958 0.4733 C 0 0 0
- -3.7531 -2.5635 0.0972 C 0 0 0
- 1.3173 1.4039 0.2870 C 0 0 0
- 0.2816 3.5616 -0.1620 C 0 0 0
- 2.4774 -0.7768 0.7688 C 0 0 0
- -4.8912 -1.8239 -0.1706 C 0 0 0
- 2.5654 2.0518 0.3781 C 0 0 0
- 1.5056 4.1538 -0.0667 C 0 0 0
- 3.0762 -1.2225 -0.4767 O 0 0 0
- 2.6442 3.3986 0.2030 C 0 0 0
- 4.2042 -1.9497 -0.4566 C 0 0 0
- 4.8257 -2.4122 -1.7492 C 0 0 0
- 4.7214 -2.2334 0.5979 O 0 0 0
- -2.2849 3.2837 0.0000 H 0 0 0
- 0.7708 -2.6620 0.0000 H 0 0 0
- -4.3896 2.1780 0.0000 H 0 0 0
- -5.7215 0.0917 0.0000 H 0 0 0
- -1.3438 -3.7368 0.0000 H 0 0 0
- -3.8088 -3.6041 0.0000 H 0 0 0
- -0.5765 4.1529 0.0000 H 0 0 0
- 3.4236 -0.3403 0.0000 H 0 0 0
- 2.5466 0.2630 0.0000 H 0 0 0
- -5.8169 -2.3025 0.0000 H 0 0 0
- 3.4398 1.4849 0.0000 H 0 0 0
- 1.5759 5.1935 0.0000 H 0 0 0
- 3.5764 3.8643 0.0000 H 0 0 0
- 4.2036 -3.2482 0.0000 H 0 0 0
- 5.6617 -3.0343 0.0000 H 0 0 0
- 5.4478 -1.5762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 21 23 1 0
- 23 24 1 0
- 23 25 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 20 22 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 22 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-79-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.0110 0.5200 0.0789 C 0 0 0
- -0.8753 -0.8828 0.0586 C 0 0 0
- 0.1925 1.3702 0.2182 C 0 0 0
- -2.2690 1.0931 -0.0373 C 0 0 0
- 0.4654 -1.4886 0.1763 C 0 0 0
- -2.0056 -1.6868 -0.0732 C 0 0 0
- 1.5288 0.7651 0.0266 C 0 0 0
- 0.0844 2.5503 0.4862 O 0 0 0
- -3.3912 0.2762 -0.1737 C 0 0 0
- 1.6624 -0.6355 0.0061 C 0 0 0
- 0.5849 -2.6753 0.4109 O 0 0 0
- -3.2540 -1.1076 -0.1840 C 0 0 0
- 2.6531 1.5680 -0.1344 C 0 0 0
- -4.6530 0.8475 -0.2908 N 0 0 0
- 2.9179 -1.2056 -0.1735 C 0 0 0
- 3.8954 0.9843 -0.3134 C 0 0 0
- 4.0271 -0.3922 -0.3310 C 0 0 0
- -2.3736 2.1266 0.0000 H 0 0 0
- -1.9102 -2.7212 0.0000 H 0 0 0
- -4.1009 -1.7092 0.0000 H 0 0 0
- 2.5593 2.6026 0.0000 H 0 0 0
- -4.7551 1.8813 0.0000 H 0 0 0
- -5.4972 0.2422 0.0000 H 0 0 0
- 3.0250 -2.2389 0.0000 H 0 0 0
- 4.7448 1.5824 0.0000 H 0 0 0
- 4.9751 -0.8171 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 13 16 2 0
- 15 17 2 0
- 7 10 2 0
- 9 12 2 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68603-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 52 1 V2000
- 4.5489 0.0903 -0.1013 N 0 0 0
- 3.3253 -0.1622 0.4042 C 0 0 0
- 5.1240 -0.8041 -1.1090 C 0 0 0
- 5.3014 1.2625 0.3526 C 0 0 0
- 2.0942 0.2023 -0.3848 C 0 0 0
- 3.2150 -0.6827 1.4941 O 0 0 0
- 5.7739 -2.0030 -0.4154 C 0 0 0
- 4.9457 2.4667 -0.5216 C 0 0 0
- 0.8457 -0.1878 0.4089 C 0 0 0
- 4.7954 -3.0248 -0.2140 O 0 0 0
- 3.9159 3.2280 0.1125 O 0 0 0
- -0.4042 0.1823 -0.3922 C 0 0 0
- -1.6526 -0.2078 0.4016 C 0 0 0
- -2.9025 0.1622 -0.3995 C 0 0 0
- -4.1510 -0.2279 0.3942 C 0 0 0
- -5.4009 0.1421 -0.4069 C 0 0 0
- -6.6494 -0.2480 0.3869 C 0 0 0
- -7.8993 0.1221 -0.4142 C 0 0 0
- -9.1477 -0.2680 0.3796 C 0 0 0
- -10.3976 0.1020 -0.4215 C 0 0 0
- 6.1017 -0.8060 0.0000 H 0 0 0
- 5.5933 0.0536 0.0000 H 0 0 0
- 5.9767 0.5555 0.0000 H 0 0 0
- 6.1475 1.7524 0.0000 H 0 0 0
- 2.6579 1.0011 0.0000 H 0 0 0
- 1.5186 0.9925 0.0000 H 0 0 0
- 6.4064 -2.7485 0.0000 H 0 0 0
- 6.5807 -1.4508 0.0000 H 0 0 0
- 5.9231 2.4464 0.0000 H 0 0 0
- 5.2613 3.3920 0.0000 H 0 0 0
- 0.2820 -0.9866 0.0000 H 0 0 0
- 1.4213 -0.9780 0.0000 H 0 0 0
- 4.1192 -3.7309 0.0000 H 0 0 0
- 3.1297 3.8092 0.0000 H 0 0 0
- 0.1595 0.9811 0.0000 H 0 0 0
- -0.9798 0.9725 0.0000 H 0 0 0
- -2.2163 -1.0066 0.0000 H 0 0 0
- -1.0770 -0.9980 0.0000 H 0 0 0
- -2.3388 0.9610 0.0000 H 0 0 0
- -3.4781 0.9524 0.0000 H 0 0 0
- -4.7147 -1.0267 0.0000 H 0 0 0
- -3.5754 -1.0181 0.0000 H 0 0 0
- -4.8372 0.9409 0.0000 H 0 0 0
- -5.9765 0.9323 0.0000 H 0 0 0
- -7.2131 -1.0468 0.0000 H 0 0 0
- -6.0738 -1.0382 0.0000 H 0 0 0
- -7.3356 0.9209 0.0000 H 0 0 0
- -8.4749 0.9123 0.0000 H 0 0 0
- -9.7114 -1.0668 0.0000 H 0 0 0
- -8.5721 -1.0582 0.0000 H 0 0 0
- -10.1201 1.0394 0.0000 H 0 0 0
- -11.3350 0.3795 0.0000 H 0 0 0
- -10.6751 -0.8354 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 20 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61499-28-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 0.0716 -0.6474 -0.6809 N 0 0 0
- -1.1769 -0.0191 -1.1201 C 0 0 0
- 1.3583 -0.0308 -1.0131 C 0 0 0
- 0.0377 -1.7407 0.0029 N 0 0 0
- -1.8396 0.6829 0.0669 C 0 0 0
- 1.7520 0.9297 0.0794 C 0 0 0
- 1.0756 -2.2630 0.3680 O 0 0 0
- -3.0450 1.4871 -0.4244 C 0 0 0
- -2.2732 -0.2933 1.0161 O 0 0 0
- 3.0441 1.6985 -0.0228 C 0 0 0
- 1.0321 1.0833 1.0367 O 0 0 0
- -1.9718 -0.3084 0.0000 H 0 0 0
- -1.2265 -0.8635 0.0000 H 0 0 0
- 1.5000 -0.8648 0.0000 H 0 0 0
- 2.1991 -0.1240 0.0000 H 0 0 0
- -1.2938 1.3292 0.0000 H 0 0 0
- -2.5755 2.1908 0.0000 H 0 0 0
- -3.7487 1.9566 0.0000 H 0 0 0
- -3.5145 0.7834 0.0000 H 0 0 0
- -2.6166 -1.0664 0.0000 H 0 0 0
- 3.4766 0.9715 0.0000 H 0 0 0
- 3.7711 2.1310 0.0000 H 0 0 0
- 2.6116 2.4255 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130933-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 42 1 V2000
- -1.3908 -0.1370 -0.2960 C 0 0 0
- -2.0708 -1.4549 -0.5275 C 0 0 2
- 0.0213 -0.0994 -0.1986 C 0 0 0
- -2.1010 1.0144 -0.1844 C 0 0 0
- -3.5281 -1.5336 -0.1153 C 0 0 1
- -2.4827 -2.0907 0.6841 O 0 0 0
- 0.6743 1.1957 0.0176 C 0 0 0
- 0.7530 -1.2955 -0.3114 C 0 0 0
- -3.6064 0.9700 -0.2754 C 0 0 2
- -1.4705 2.2435 0.0169 C 0 0 0
- -4.1197 -0.2633 0.4726 C 0 0 2
- 2.0827 1.2632 0.1202 C 0 0 0
- -0.1189 2.3473 0.1191 C 0 0 0
- 2.1338 -1.2462 -0.2143 C 0 0 0
- -3.9987 0.9010 -1.6478 O 0 0 0
- -3.7698 -0.1704 1.8550 O 0 0 0
- 2.7579 0.0576 0.0030 C 0 0 0
- 3.1008 2.2876 0.3258 C 0 0 0
- 3.0646 -2.3022 -0.2948 C 0 0 0
- 4.2055 0.2952 0.1311 C 0 0 0
- 4.3423 1.7178 0.3316 C 0 0 0
- 4.4030 -2.0638 -0.1743 C 0 0 0
- 5.0200 -0.8260 0.0338 C 0 0 0
- -1.1677 -1.9787 0.0000 H 0 0 0
- -4.2859 -2.2517 0.0000 H 0 0 0
- 0.2588 -2.2152 0.0000 H 0 0 0
- -3.7125 2.0087 0.0000 H 0 0 0
- -2.0485 3.1129 0.0000 H 0 0 0
- -5.1635 -0.2849 0.0000 H 0 0 0
- 0.3310 3.2895 0.0000 H 0 0 0
- -5.0270 0.7201 0.0000 H 0 0 0
- -2.7607 0.0975 0.0000 H 0 0 0
- 2.9148 3.3150 0.0000 H 0 0 0
- 2.7203 -3.2879 0.0000 H 0 0 0
- 5.2471 2.2387 0.0000 H 0 0 0
- 5.0285 -2.8998 0.0000 H 0 0 0
- 6.0605 -0.7395 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 1 0
- 17 20 1 0
- 18 21 2 0
- 19 22 2 0
- 20 23 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 20 21 1 0
- 22 23 1 0
- 2 24 1 0
- 5 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63358-49-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 62 1 V2000
- -0.2859 -1.4758 -0.4595 C 0 0 2
- -1.5369 -1.8786 0.3252 C 0 0 2
- 0.3804 -0.2810 0.0649 N 0 0 0
- -1.2234 -1.1937 -1.6150 C 0 0 0
- -2.3259 -1.3949 -0.8284 N 0 0 0
- -1.8977 -0.6526 1.6407 S 0 0 0
- 1.4773 -0.4166 1.0264 C 0 0 2
- -0.0159 0.9428 -0.3372 C 0 0 0
- -1.0611 -0.9029 -2.7812 O 0 0 0
- -3.1808 -0.2392 -0.5956 C 0 0 2
- -3.4046 0.0980 0.8925 C 0 0 0
- 2.6652 -1.0483 0.3474 C 0 0 0
- 1.0342 -1.2860 2.1748 C 0 0 0
- 0.7322 2.1667 0.1248 C 0 0 1
- -0.9746 1.0591 -1.0710 O 0 0 0
- -4.5123 -0.4558 -1.2673 C 0 0 0
- -4.6759 -0.5663 1.4249 C 0 0 0
- -3.4394 1.6108 1.1186 C 0 0 0
- 3.8949 -0.4175 0.3804 C 0 0 0
- 2.5246 -2.2607 -0.3027 C 0 0 0
- 1.7430 -1.3015 3.3209 N 0 0 0
- 0.0396 -1.9718 2.0675 O 0 0 0
- 1.5016 2.7689 -1.0526 C 0 0 0
- -0.2212 3.1562 0.6443 N 0 0 0
- -5.1716 0.5843 -1.8014 O 0 0 0
- -4.9864 -1.5657 -1.3250 O 0 0 0
- 4.9856 -0.9948 -0.2409 C 0 0 0
- 3.6119 -2.8419 -0.9254 C 0 0 0
- 2.2496 3.9928 -0.5905 C 0 0 0
- -0.1685 3.0646 2.1095 C 0 0 0
- 4.8460 -2.2082 -0.8982 C 0 0 0
- 2.9987 4.6894 -1.4596 O 0 0 0
- 2.1750 4.3470 0.5622 O 0 0 0
- 5.9173 -2.7779 -1.5104 O 0 0 0
- 0.2973 -2.1871 0.0000 H 0 0 0
- -1.6463 -2.7919 0.0000 H 0 0 0
- 1.7543 0.4605 0.0000 H 0 0 0
- -2.4276 0.2888 0.0000 H 0 0 0
- 1.4191 1.5549 0.0000 H 0 0 0
- -5.1019 0.2489 0.0000 H 0 0 0
- -5.4911 -0.9923 0.0000 H 0 0 0
- -4.2499 -1.3815 0.0000 H 0 0 0
- -2.5198 1.6320 0.0000 H 0 0 0
- -3.4606 2.5304 0.0000 H 0 0 0
- -4.3590 1.5896 0.0000 H 0 0 0
- 3.9008 0.5023 0.0000 H 0 0 0
- 1.7097 -2.6873 0.0000 H 0 0 0
- 2.1854 -2.1080 0.0000 H 0 0 0
- 2.2202 -0.5152 0.0000 H 0 0 0
- 1.7380 1.8800 0.0000 H 0 0 0
- 2.4119 2.6366 0.0000 H 0 0 0
- -0.7738 3.8915 0.0000 H 0 0 0
- -5.6641 1.3612 0.0000 H 0 0 0
- 5.7995 -0.5662 0.0000 H 0 0 0
- 3.6043 -3.7617 0.0000 H 0 0 0
- -0.9658 2.6059 0.0000 H 0 0 0
- 0.2902 2.2673 0.0000 H 0 0 0
- 0.6288 3.5233 0.0000 H 0 0 0
- 3.6723 5.3158 0.0000 H 0 0 0
- 6.7294 -3.2098 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 12 20 1 0
- 13 21 1 0
- 13 22 2 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 2 0
- 19 27 1 0
- 20 28 2 0
- 23 29 1 0
- 24 30 1 0
- 27 31 2 0
- 29 32 1 0
- 29 33 2 0
- 31 34 1 0
- 4 5 1 0
- 10 11 1 0
- 28 31 1 0
- 1 35 1 0
- 2 36 1 0
- 7 37 1 0
- 10 38 1 0
- 14 39 1 0
- 17 40 1 0
- 17 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 20 47 1 0
- 21 48 1 0
- 21 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 25 53 1 0
- 27 54 1 0
- 28 55 1 0
- 30 56 1 0
- 30 57 1 0
- 30 58 1 0
- 32 59 1 0
- 34 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52315-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- -2.4842 -0.9965 0.4934 C 0 0 2
- -3.4000 0.0703 -0.1099 C 0 0 2
- -2.4961 0.4189 1.0743 C 0 0 0
- -1.2701 -1.1698 -0.3823 C 0 0 0
- -4.8094 -0.1424 0.3796 C 0 0 0
- -3.1624 0.6176 2.4372 C 0 0 0
- -1.2804 1.3059 0.7985 C 0 0 0
- -0.1178 -1.6099 0.1472 O 0 0 0
- -1.3338 -0.9127 -1.5612 O 0 0 0
- -5.7833 0.6125 -0.0747 C 0 0 0
- 1.0520 -1.7769 -0.6966 C 0 0 1
- -7.4068 0.3675 0.4891 Cl 0 0 0
- -5.4471 1.8555 -1.2391 Cl 0 0 0
- 2.2975 -1.5487 0.1206 C 0 0 0
- 1.0693 -3.1421 -1.2466 C 0 0 0
- 3.4341 -1.0442 -0.4803 C 0 0 0
- 2.2996 -1.8394 1.4726 C 0 0 0
- 1.0826 -4.1957 -1.6711 N 0 0 0
- 4.5807 -0.8344 0.2728 C 0 0 0
- 3.4405 -1.6313 2.2251 C 0 0 0
- 5.7005 -0.3385 -0.3160 O 0 0 0
- 4.5819 -1.1322 1.6278 C 0 0 0
- 5.5975 1.0159 -0.2777 C 0 0 0
- 6.5300 1.8029 -0.9387 C 0 0 0
- 4.5565 1.6142 0.4174 C 0 0 0
- 6.4228 3.1793 -0.8986 C 0 0 0
- 4.4538 2.9915 0.4544 C 0 0 0
- 5.3872 3.7733 -0.2006 C 0 0 0
- -2.9275 -1.8049 0.0000 H 0 0 0
- -3.6361 0.9615 0.0000 H 0 0 0
- -5.0418 -1.0346 0.0000 H 0 0 0
- -2.8989 1.5011 0.0000 H 0 0 0
- -4.0459 0.8811 0.0000 H 0 0 0
- -3.4259 -0.2659 0.0000 H 0 0 0
- -0.7370 0.5611 0.0000 H 0 0 0
- -0.5356 1.8493 0.0000 H 0 0 0
- -1.8238 2.0507 0.0000 H 0 0 0
- 1.0338 -0.8551 0.0000 H 0 0 0
- 3.1622 -0.1632 0.0000 H 0 0 0
- 1.7116 -2.5495 0.0000 H 0 0 0
- 3.7097 -2.5131 0.0000 H 0 0 0
- 5.3545 -1.6354 0.0000 H 0 0 0
- 7.3806 1.4472 0.0000 H 0 0 0
- 3.7762 1.1231 0.0000 H 0 0 0
- 7.2020 3.6721 0.0000 H 0 0 0
- 3.6044 3.3502 0.0000 H 0 0 0
- 5.3060 4.6917 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 3 0
- 16 19 1 0
- 17 20 2 0
- 19 21 1 0
- 19 22 2 0
- 21 23 1 0
- 23 24 1 0
- 23 25 2 0
- 24 26 2 0
- 25 27 1 0
- 26 28 1 0
- 2 3 1 0
- 20 22 1 0
- 27 28 2 0
- 1 29 1 0
- 2 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 7 37 1 0
- 11 38 1 0
- 16 39 1 0
- 17 40 1 0
- 20 41 1 0
- 22 42 1 0
- 24 43 1 0
- 25 44 1 0
- 26 45 1 0
- 27 46 1 0
- 28 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1904-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.5192 0.9350 -0.0024 C 0 0 0
- -0.7657 -0.4479 -0.0017 C 0 0 0
- 0.7372 1.3690 -0.0014 N 0 0 0
- -1.7509 1.5392 0.0014 N 0 0 0
- 0.3358 -1.3210 0.0000 C 0 0 0
- -2.1113 -0.6139 -0.0030 N 0 0 0
- 1.7454 0.5121 0.0002 C 0 0 0
- -2.6913 0.5505 0.0041 C 0 0 0
- 1.5583 -0.8015 0.0009 N 0 0 0
- 0.1506 -2.6922 0.0011 N 0 0 0
- 3.0406 1.0032 0.0008 N 0 0 0
- -1.9307 2.5433 0.0000 H 0 0 0
- -3.7001 0.7021 0.0000 H 0 0 0
- -0.7932 -3.0794 0.0000 H 0 0 0
- 0.9578 -3.3159 0.0000 H 0 0 0
- 3.8307 0.3580 0.0000 H 0 0 0
- 3.2043 2.0101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 6 8 2 0
- 7 9 2 0
- 4 12 1 0
- 8 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16051-77-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.4397 -0.3650 -0.8556 C 0 0 0
- -1.6816 0.5686 -0.8892 C 0 0 0
- 0.6242 0.5260 -0.1619 C 0 0 0
- -0.7938 -1.4160 0.0670 O 0 0 0
- -2.8426 -0.3356 -0.4243 C 0 0 0
- -1.4771 1.5934 0.0869 O 0 0 0
- -0.2578 1.3526 0.8062 C 0 0 0
- 1.5165 -0.2971 0.5920 O 0 0 0
- -2.1817 -1.7124 -0.1949 C 0 0 0
- -3.3626 0.1552 0.8130 O 0 0 0
- 2.8134 -0.0848 0.0646 N 0 3 0
- 2.9748 0.6890 -0.8621 O 0 0 0
- 3.7675 -0.6759 0.5376 O 0 5 0
- 0.3211 -0.8847 0.0000 H 0 0 0
- -2.4656 1.0525 0.0000 H 0 0 0
- 1.2515 1.2007 0.0000 H 0 0 0
- -3.5865 -0.8791 0.0000 H 0 0 0
- 0.5593 1.7782 0.0000 H 0 0 0
- -0.3887 2.2645 0.0000 H 0 0 0
- -3.0412 -2.0443 0.0000 H 0 0 0
- -1.9187 -2.5954 0.0000 H 0 0 0
- -4.0326 0.7876 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 5 9 1 0
- 6 7 1 0
- 1 14 1 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2835-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.3742 0.0685 -0.8489 C 0 0 0
- 0.1560 0.6846 -0.2106 C 0 0 0
- 2.4331 -0.1962 0.2233 C 0 0 0
- -1.0180 0.0344 -0.2391 O 0 0 0
- 0.2360 1.7637 0.3269 O 0 0 0
- 2.0649 -1.4604 1.0025 C 0 0 0
- 3.7971 -0.3869 -0.4431 C 0 0 0
- -2.1917 0.6280 0.3759 C 0 0 0
- -3.3696 -0.2967 0.2063 C 0 0 0
- -3.2223 -1.4366 -0.4223 C 0 0 0
- 0.5901 -0.5318 0.0000 H 0 0 0
- 1.5745 -0.8985 0.0000 H 0 0 0
- 2.6215 0.7732 0.0000 H 0 0 0
- 1.1168 -1.1842 0.0000 H 0 0 0
- 1.7887 -2.4086 0.0000 H 0 0 0
- 3.0130 -1.7365 0.0000 H 0 0 0
- 3.6604 -1.3649 0.0000 H 0 0 0
- 4.7751 -0.5236 0.0000 H 0 0 0
- 3.9338 0.5911 0.0000 H 0 0 0
- -1.6228 1.4352 0.0000 H 0 0 0
- -2.9078 1.3080 0.0000 H 0 0 0
- -4.2836 0.0773 0.0000 H 0 0 0
- -4.0072 -2.0359 0.0000 H 0 0 0
- -2.3108 -1.8167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 8 9 1 0
- 9 10 2 0
- 1 11 1 0
- 1 12 1 0
- 3 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1551-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 1.0649 0.1977 -0.1307 C 0 0 0
- -0.2269 0.6133 0.3857 O 0 0 0
- 2.0433 1.3721 -0.0621 C 0 0 0
- 1.6011 -0.9625 0.7103 C 0 0 0
- -1.3506 0.0487 -0.0839 C 0 0 0
- 3.4045 0.9342 -0.6063 C 0 0 0
- 2.9624 -1.4004 0.1661 C 0 0 0
- -2.6914 0.4800 0.4521 C 0 0 0
- -1.2870 -0.8053 -0.9363 O 0 0 0
- 3.9407 -0.2260 0.2347 C 0 0 0
- -3.7984 -0.3130 -0.2454 C 0 0 0
- -5.1597 0.1249 0.2987 C 0 0 0
- 0.3764 -0.5802 0.0000 H 0 0 0
- 2.4849 2.3124 0.0000 H 0 0 0
- 1.1669 1.9299 0.0000 H 0 0 0
- 0.5800 -1.1535 0.0000 H 0 0 0
- 1.5355 -1.9992 0.0000 H 0 0 0
- 4.4256 1.1252 0.0000 H 0 0 0
- 3.4701 1.9709 0.0000 H 0 0 0
- 2.5209 -2.3407 0.0000 H 0 0 0
- 3.8388 -1.9582 0.0000 H 0 0 0
- -2.1717 1.3795 0.0000 H 0 0 0
- -3.4610 1.1778 0.0000 H 0 0 0
- 4.6323 -1.0012 0.0000 H 0 0 0
- 4.8092 0.3439 0.0000 H 0 0 0
- -4.3181 -1.2125 0.0000 H 0 0 0
- -3.0288 -1.0108 0.0000 H 0 0 0
- -4.8416 1.1138 0.0000 H 0 0 0
- -6.1486 0.4430 0.0000 H 0 0 0
- -5.4778 -0.8640 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 11 12 1 0
- 7 10 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95741-57-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.7695 0.3551 -0.0015 C 0 0 0
- -1.1077 -0.8773 -0.0007 C 0 0 0
- -0.8763 1.4317 -0.0012 C 0 0 0
- -3.1603 0.4946 0.0030 C 0 0 0
- 0.3380 -0.5731 0.0000 C 0 0 0
- -1.8988 -2.0131 -0.0012 C 0 0 0
- 0.4802 0.8466 0.0001 C 0 0 0
- -1.4262 2.7020 -0.0022 C 0 0 0
- -3.9283 -0.6824 0.0087 C 0 0 0
- -3.6793 1.8006 0.0009 C 0 0 0
- 1.4566 -1.3809 0.0010 C 0 0 0
- -3.2878 -1.8909 -0.0026 C 0 0 0
- 1.7367 1.4168 0.0005 C 0 0 0
- -2.8118 2.8580 -0.0030 C 0 0 0
- 2.7378 -0.8094 0.0006 C 0 0 0
- -4.1207 -3.1468 -0.0036 C 0 0 0
- 2.8792 0.6026 0.0008 C 0 0 0
- 3.8899 -1.6161 0.0002 C 0 0 0
- 4.1682 1.1652 0.0002 C 0 0 0
- 5.1206 -1.0350 -0.0009 C 0 0 0
- 5.2594 0.3518 0.0008 C 0 0 0
- -1.4545 -2.9635 0.0000 H 0 0 0
- -0.8020 3.5453 0.0000 H 0 0 0
- -4.9764 -0.6348 0.0000 H 0 0 0
- -4.7160 1.9619 0.0000 H 0 0 0
- 1.3488 -2.4245 0.0000 H 0 0 0
- 1.8379 2.4611 0.0000 H 0 0 0
- -3.2066 3.8300 0.0000 H 0 0 0
- -4.9950 -2.5669 0.0000 H 0 0 0
- -4.7006 -4.0211 0.0000 H 0 0 0
- -3.2464 -3.7267 0.0000 H 0 0 0
- 3.8010 -2.6615 0.0000 H 0 0 0
- 4.2881 2.2075 0.0000 H 0 0 0
- 5.9777 -1.6401 0.0000 H 0 0 0
- 6.2194 0.7750 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 15 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 15 17 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23452-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 1.0877 -0.3951 0.0279 C 0 0 0
- -0.3854 -0.3043 0.0313 C 0 0 0
- 1.8353 0.7757 0.2376 C 0 0 0
- 1.7363 -1.6090 -0.1833 C 0 0 0
- -0.9616 0.9884 -0.0105 C 0 0 0
- -1.2016 -1.4217 0.0736 C 0 0 0
- 1.2009 1.9579 0.4475 O 0 0 0
- 3.2186 0.7127 0.2317 C 0 0 0
- 3.1136 -1.6584 -0.1846 C 0 0 0
- 0.9347 -2.8647 -0.4103 C 0 0 0
- -0.0483 2.1385 -0.0508 C 0 0 0
- -2.3512 1.1332 -0.0117 C 0 0 0
- -2.5815 -1.2639 0.0733 C 0 0 0
- 3.8554 -0.5007 0.0235 C 0 0 0
- -0.3974 3.2086 -0.5124 O 0 0 0
- -3.1513 0.0035 0.0306 C 0 0 0
- -2.9113 2.3681 -0.0545 O 0 0 0
- -3.3825 -2.3590 0.1149 O 0 0 0
- 5.2125 -0.5586 0.0184 O 0 0 0
- -4.7306 -1.8853 0.1033 C 0 0 0
- -0.7849 -2.3724 0.0000 H 0 0 0
- 3.7757 1.5886 0.0000 H 0 0 0
- 3.5953 -2.5779 0.0000 H 0 0 0
- 0.0597 -2.3062 0.0000 H 0 0 0
- 0.3762 -3.7397 0.0000 H 0 0 0
- 1.8097 -3.4232 0.0000 H 0 0 0
- -4.1845 0.1039 0.0000 H 0 0 0
- -3.3401 3.3134 0.0000 H 0 0 0
- 6.2496 -0.6028 0.0000 H 0 0 0
- -4.3865 -0.9060 0.0000 H 0 0 0
- -5.7099 -1.5412 0.0000 H 0 0 0
- -5.0747 -2.8646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 1 0
- 11 15 2 0
- 12 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 1 0
- 18 20 1 0
- 7 11 1 0
- 9 14 2 0
- 13 16 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
- 20 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-29852-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.1962 0.5939 -0.1121 C 0 0 0
- -1.5315 1.0319 -0.0630 C 0 0 0
- 0.8493 1.5140 0.0833 C 0 0 0
- 0.0956 -0.8187 -0.3605 C 0 0 0
- -2.5871 0.1131 -0.2580 C 0 0 0
- -1.8067 2.3965 0.1832 C 0 0 0
- 2.2256 1.0252 0.0258 C 0 0 0
- 0.5504 2.8675 0.3273 C 0 0 0
- -1.0202 -1.7457 -0.5529 C 0 0 0
- 1.4106 -1.2501 -0.4093 C 0 0 0
- -2.2929 -1.2952 -0.5109 C 0 0 0
- -3.9028 0.5767 -0.2037 C 0 0 0
- -0.7355 3.2976 0.3748 C 0 0 0
- -3.1403 2.8212 0.2299 C 0 0 0
- 2.4713 -0.3487 -0.2226 C 0 0 0
- 3.3053 1.8971 0.2126 C 0 0 0
- -0.7482 -3.2054 -0.8108 C 0 0 0
- -4.1610 1.9144 0.0375 C 0 0 0
- 3.8036 -0.8048 -0.2756 C 0 0 0
- 4.5808 1.4201 0.1544 C 0 0 0
- -0.6768 -4.0898 0.7588 Cl 0 0 0
- 4.8276 0.0712 -0.0893 C 0 0 0
- 1.3267 3.5660 0.0000 H 0 0 0
- 1.6116 -2.2749 0.0000 H 0 0 0
- -3.0792 -1.9824 0.0000 H 0 0 0
- -4.6938 -0.1051 0.0000 H 0 0 0
- -0.9310 4.3234 0.0000 H 0 0 0
- -3.3570 3.8428 0.0000 H 0 0 0
- 3.1382 2.9279 0.0000 H 0 0 0
- 0.2102 -3.6202 0.0000 H 0 0 0
- 0.0682 -2.5542 0.0000 H 0 0 0
- -5.1500 2.2497 0.0000 H 0 0 0
- 3.9997 -1.8305 0.0000 H 0 0 0
- 5.3816 2.0904 0.0000 H 0 0 0
- 5.8117 -0.2781 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 13 2 0
- 9 11 2 0
- 10 15 1 0
- 14 18 2 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20927-95-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.2412 -0.0266 -0.0027 C 0 0 0
- -1.6426 -0.4881 -0.0017 C 0 0 0
- -0.3031 1.3741 -0.0003 C 0 0 0
- 0.9895 -0.6736 -0.0003 C 0 0 0
- -2.4252 0.6748 0.0012 C 0 0 0
- -2.2481 -1.7402 -0.0034 C 0 0 0
- -1.6020 1.7463 0.0020 O 0 0 0
- 0.8790 2.1044 -0.0002 C 0 0 0
- 2.1525 0.0683 -0.0023 C 0 0 0
- -3.8103 0.5595 0.0032 C 0 0 0
- -3.6239 -1.8348 -0.0022 C 0 0 0
- 2.0946 1.4525 -0.0024 C 0 0 0
- 3.4650 -0.6160 0.0007 N 0 3 0
- -4.4003 -0.6868 0.0023 C 0 0 0
- 4.4927 0.0378 -0.0010 O 0 0 0
- 3.5174 -1.8329 0.0049 O 0 5 0
- 1.0330 -1.7119 0.0000 H 0 0 0
- -1.6660 -2.6011 0.0000 H 0 0 0
- 0.8472 3.1432 0.0000 H 0 0 0
- -4.4021 1.4138 0.0000 H 0 0 0
- -4.0794 -2.7689 0.0000 H 0 0 0
- 2.9750 2.0047 0.0000 H 0 0 0
- -5.4365 -0.7660 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3764-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -2.7132 1.5163 0.0006 Cl 0 0 0
- -1.1913 0.6811 -0.0018 C 0 0 0
- -0.0002 1.3911 0.0005 C 0 0 0
- -1.1523 -0.6433 -0.0002 N 0 0 0
- 1.1914 0.6810 -0.0010 C 0 0 0
- -0.0001 -1.2853 -0.0014 C 0 0 0
- 2.7133 1.5162 0.0012 Cl 0 0 0
- 1.1524 -0.6432 -0.0045 N 0 0 0
- -0.0001 -3.0213 0.0013 Cl 0 0 0
- -0.0003 2.4311 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 1 0
- 8 5 2 0
- 9 6 1 0
- 6 8 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.3127 -0.0570 -0.0021 C 0 0 0
- -1.7489 -0.3757 -0.0014 C 0 0 0
- 0.0957 1.3483 -0.0004 C 0 0 0
- 0.6376 -1.0652 0.0015 C 0 0 0
- -2.6829 0.6813 0.0009 C 0 0 0
- -2.1639 -1.6381 -0.0025 N 0 0 0
- 1.4455 1.6830 -0.0006 C 0 0 0
- -0.9290 2.3912 0.0019 C 0 0 0
- 1.9958 -0.7345 0.0007 C 0 0 0
- -2.2369 2.0695 0.0021 C 0 0 0
- -4.0527 0.3716 0.0017 C 0 0 0
- -3.4429 -1.9428 -0.0015 C 0 0 0
- 2.4082 0.6711 -0.0022 C 0 0 0
- 2.9898 -1.7335 0.0042 C 0 0 0
- -4.4213 -0.9578 0.0000 C 0 0 0
- 3.7853 0.9734 -0.0019 C 0 0 0
- 4.3004 -1.3748 0.0032 C 0 0 0
- 4.6933 -0.0373 -0.0031 C 0 0 0
- 0.3400 -2.0696 0.0000 H 0 0 0
- 1.7386 2.6887 0.0000 H 0 0 0
- -0.6430 3.3989 0.0000 H 0 0 0
- -2.9514 2.8356 0.0000 H 0 0 0
- -4.7754 1.1299 0.0000 H 0 0 0
- -3.7298 -2.9503 0.0000 H 0 0 0
- 2.7201 -2.7457 0.0000 H 0 0 0
- -5.4347 -1.2228 0.0000 H 0 0 0
- 4.1062 1.9705 0.0000 H 0 0 0
- 5.0342 -2.1224 0.0000 H 0 0 0
- 5.7149 0.1945 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 2 0
- 17 18 1 0
- 4 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-75-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.2526 0.5714 1.2417 N 0 0 0
- -0.9763 0.6996 0.5896 C 0 0 0
- 1.4327 0.4902 0.4983 C 0 0 0
- -1.5715 -0.4092 0.0016 C 0 0 0
- -1.6087 1.9356 0.5327 C 0 0 0
- 2.6385 0.2216 1.1335 C 0 0 0
- 1.4021 0.6723 -0.8789 C 0 0 0
- -0.9047 -1.7292 0.0655 N 0 3 0
- -2.7865 -0.2788 -0.6422 C 0 0 0
- -2.8232 2.0588 -0.1126 C 0 0 0
- 3.8032 0.1416 0.3954 C 0 0 0
- 2.5702 0.5909 -1.6105 C 0 0 0
- -0.8619 -2.4384 -0.9239 O 0 0 0
- -0.3988 -2.1062 1.1073 O 0 5 0
- -3.4103 0.9538 -0.7019 C 0 0 0
- 3.7699 0.3285 -0.9741 C 0 0 0
- 0.1736 -0.3417 0.0000 H 0 0 0
- -1.0916 2.6923 0.0000 H 0 0 0
- 2.5071 -0.6854 0.0000 H 0 0 0
- 0.7234 1.2882 0.0000 H 0 0 0
- -3.3075 -1.0328 0.0000 H 0 0 0
- -3.2551 2.8672 0.0000 H 0 0 0
- 4.4852 -0.4706 0.0000 H 0 0 0
- 2.7003 1.4981 0.0000 H 0 0 0
- -4.3267 0.9629 0.0000 H 0 0 0
- 4.4305 0.9638 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 2 0
- 11 6 1 0
- 12 7 2 0
- 13 8 2 0
- 14 8 1 0
- 15 9 2 0
- 16 11 2 0
- 10 15 1 0
- 12 16 1 0
- 1 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82789-18-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -1.2394 3.5616 0.0194 C 0 0 0
- -2.2937 3.5848 0.6092 O 0 0 0
- -0.5915 4.7077 -0.2424 O 0 0 0
- -0.6487 2.2456 -0.4166 C 0 0 0
- 0.7268 2.0589 0.2407 C 0 0 0
- -1.5399 1.1515 -0.0127 N 0 0 0
- 1.1738 0.6457 -0.0391 C 0 0 0
- -1.1342 -0.0562 -0.7457 C 0 0 0
- 0.3314 -0.3127 -0.4911 C 0 0 0
- 2.4788 0.0424 0.0947 C 0 0 0
- -1.9417 -1.2328 -0.2612 C 0 0 0
- 1.0151 -1.4854 -0.6571 N 0 0 0
- 2.3248 -1.3098 -0.3102 C 0 0 0
- 3.7186 0.5362 0.5130 C 0 0 0
- -2.7419 -1.9325 -1.1446 C 0 0 0
- -1.8777 -1.6157 1.0657 C 0 0 0
- 3.4119 -2.1810 -0.3003 C 0 0 0
- 4.7712 -0.3449 0.5123 C 0 0 0
- -3.4827 -3.0119 -0.7001 C 0 0 0
- -2.6183 -2.6947 1.5101 C 0 0 0
- 4.6261 -1.6650 0.1180 C 0 0 0
- -3.4231 -3.3912 0.6276 C 0 0 0
- -0.1013 5.5748 0.0000 H 0 0 0
- -0.0524 3.0434 0.0000 H 0 0 0
- 1.7102 2.2169 0.0000 H 0 0 0
- 0.7147 3.0549 0.0000 H 0 0 0
- -2.5199 1.3296 0.0000 H 0 0 0
- -2.1207 0.0815 0.0000 H 0 0 0
- 0.5775 -2.3802 0.0000 H 0 0 0
- 3.8763 1.5197 0.0000 H 0 0 0
- -3.4862 -1.2706 0.0000 H 0 0 0
- -0.9052 -1.8311 0.0000 H 0 0 0
- 3.2760 -3.1677 0.0000 H 0 0 0
- 5.6954 0.0266 0.0000 H 0 0 0
- -4.4541 -2.7918 0.0000 H 0 0 0
- -1.8757 -3.3585 0.0000 H 0 0 0
- 5.4255 -2.2592 0.0000 H 0 0 0
- -3.7654 -4.3266 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 4 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 2 0
- 10 7 1 0
- 11 8 1 0
- 12 9 1 0
- 13 10 2 0
- 14 10 1 0
- 15 11 2 0
- 16 11 1 0
- 17 13 1 0
- 18 14 2 0
- 19 15 1 0
- 20 16 2 0
- 21 17 2 0
- 22 19 2 0
- 8 9 1 0
- 12 13 1 0
- 18 21 1 0
- 20 22 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 6 27 1 0
- 8 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-78-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0270 -0.6636 0.0000 C 0 0 0
- -1.3511 -0.1465 0.0000 C 0 0 0
- 1.0113 0.5078 0.0000 C 0 0 0
- -2.4147 0.2526 0.0000 N 0 0 0
- 2.3492 0.0057 0.0000 O 0 0 0
- -0.4679 -1.6324 0.0000 H 0 0 0
- 0.9336 -1.2648 0.0000 H 0 0 0
- 1.5062 1.4766 0.0000 H 0 0 0
- 0.1047 1.1090 0.0000 H 0 0 0
- 3.3677 -0.3765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 3 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-66789-78-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- 0.3339 1.1561 -0.2156 O 0 0 0
- -0.5209 0.0461 0.0661 C 0 0 0
- 1.6111 0.6954 -0.1490 C 0 0 0
- -1.9591 0.4922 0.0079 C 0 0 0
- 2.6739 1.5578 -0.3802 C 0 0 0
- 1.8540 -0.6356 0.1555 C 0 0 0
- -2.9490 -0.3921 0.2418 N 0 0 0
- -2.2259 1.6470 -0.2495 O 0 0 0
- 2.3730 3.2258 -0.7557 Cl 0 0 0
- 3.9723 1.0875 -0.3116 C 0 0 0
- 3.1537 -1.1023 0.2232 C 0 0 0
- -4.3472 0.0416 0.1852 C 0 0 0
- 4.2126 -0.2415 -0.0129 C 0 0 0
- 3.4584 -2.7682 0.6050 Cl 0 0 0
- -5.2266 -1.1290 -0.2588 C 0 0 0
- -4.7839 0.5085 1.5499 C 0 0 0
- 5.8437 -0.8297 0.0727 Cl 0 0 0
- -5.0225 -1.3817 -1.7540 C 0 0 0
- -5.6280 1.3667 1.6532 O 0 0 0
- -4.2350 -0.0291 2.6506 O 0 0 0
- -4.6678 -2.8530 -1.9788 C 0 0 0
- -6.3108 -1.0467 -2.5083 C 0 0 0
- -0.9382 -0.8901 0.0000 H 0 0 0
- 0.3594 -0.4789 0.0000 H 0 0 0
- 1.0722 -1.2985 0.0000 H 0 0 0
- -2.7312 -1.3937 0.0000 H 0 0 0
- 4.7555 1.7487 0.0000 H 0 0 0
- -3.8029 0.9101 0.0000 H 0 0 0
- -5.9927 -0.4480 0.0000 H 0 0 0
- -5.9683 -1.8365 0.0000 H 0 0 0
- -4.1031 -0.9285 0.0000 H 0 0 0
- -3.5027 -0.7463 0.0000 H 0 0 0
- -5.6642 -3.0932 0.0000 H 0 0 0
- -4.4276 -3.8494 0.0000 H 0 0 0
- -3.6714 -2.6128 0.0000 H 0 0 0
- -6.0528 -0.0547 0.0000 H 0 0 0
- -7.3028 -0.7887 0.0000 H 0 0 0
- -6.5688 -2.0387 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 10 2 0
- 14 11 1 0
- 15 12 1 0
- 16 12 1 0
- 17 13 1 0
- 18 15 1 0
- 19 16 2 0
- 20 16 1 0
- 21 18 1 0
- 22 18 1 0
- 11 13 1 0
- 2 23 1 0
- 2 24 1 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 15 30 1 0
- 18 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-771-97-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -2.9278 1.3940 -0.0019 N 0 0 0
- -1.7126 0.7032 -0.0023 C 0 0 0
- -0.5397 1.4015 0.0001 C 0 0 0
- -1.7127 -0.7032 0.0006 C 0 0 0
- 0.6836 0.7089 -0.0003 C 0 0 0
- -2.9278 -1.3940 0.0039 N 0 0 0
- -0.5397 -1.4015 0.0007 C 0 0 0
- 0.6835 -0.7088 -0.0032 C 0 0 0
- 1.9085 1.3974 0.0027 C 0 0 0
- 1.9085 -1.3974 -0.0031 C 0 0 0
- 3.0758 0.6966 0.0026 C 0 0 0
- 3.0757 -0.6967 -0.0002 C 0 0 0
- -2.9348 2.4423 0.0000 H 0 0 0
- -3.8322 0.8638 0.0000 H 0 0 0
- -0.5511 2.4498 0.0000 H 0 0 0
- -3.8322 -0.8638 0.0000 H 0 0 0
- -2.9348 -2.4423 0.0000 H 0 0 0
- -0.5511 -2.4498 0.0000 H 0 0 0
- 1.9235 2.4457 0.0000 H 0 0 0
- 1.9235 -2.4457 0.0000 H 0 0 0
- 3.9882 1.2130 0.0000 H 0 0 0
- 3.9880 -1.2132 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 8 1 0
- 11 9 2 0
- 12 10 2 0
- 7 8 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 3 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.7003 -0.0908 -0.3140 C 0 0 0
- -2.7589 0.5678 0.3374 C 0 0 0
- -0.6623 0.9213 -0.5243 C 0 0 0
- -1.8084 -1.4486 -0.6213 C 0 0 0
- -2.3794 1.8808 0.5040 N 0 0 0
- -3.9038 -0.1481 0.6724 C 0 0 0
- -1.1280 2.0727 -0.0152 C 0 0 0
- 0.6749 0.7097 -1.1863 C 0 0 0
- -2.9436 -2.1313 -0.2871 C 0 0 0
- -3.9876 -1.4880 0.3639 C 0 0 0
- 1.7082 0.3083 -0.1317 C 0 0 0
- 3.0658 0.0935 -0.8038 C 0 0 0
- 4.0835 -0.3019 0.2349 C 0 0 0
- 5.3533 -0.5432 -0.1274 O 0 0 0
- 3.7565 -0.4017 1.3938 O 0 0 0
- -0.9740 -1.9653 0.0000 H 0 0 0
- -3.0271 2.6181 0.0000 H 0 0 0
- -4.7470 0.3542 0.0000 H 0 0 0
- -0.6428 2.9258 0.0000 H 0 0 0
- 1.3944 1.3772 0.0000 H 0 0 0
- 0.3891 1.6486 0.0000 H 0 0 0
- -2.9489 -3.1127 0.0000 H 0 0 0
- -4.8590 -1.9395 0.0000 H 0 0 0
- 0.9887 -0.3592 0.0000 H 0 0 0
- 1.9940 -0.6306 0.0000 H 0 0 0
- 3.7854 0.7609 0.0000 H 0 0 0
- 2.7800 1.0324 0.0000 H 0 0 0
- 6.3175 -0.7264 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 5 7 1 0
- 9 10 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-635-27-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 1.2184 0.7308 0.0024 C 0 0 0
- 0.1685 -0.2204 0.0019 C 0 0 0
- 0.9001 2.1002 0.0016 C 0 0 0
- 2.4900 0.3181 -0.0018 N 0 0 0
- -1.1665 0.2189 0.0001 C 0 0 0
- 0.4890 -1.5907 0.0027 C 0 0 0
- -0.4035 2.4911 0.0003 C 0 0 0
- 2.7923 -0.9575 -0.0065 C 0 0 0
- -1.4351 1.5549 -0.0011 C 0 0 0
- -2.4651 -0.9331 -0.0011 Cl 0 0 0
- 1.8085 -1.9440 0.0040 C 0 0 0
- 1.6618 2.8154 0.0000 H 0 0 0
- -0.2615 -2.3177 0.0000 H 0 0 0
- -0.6344 3.5101 0.0000 H 0 0 0
- 3.7977 -1.2419 0.0000 H 0 0 0
- -2.4277 1.8813 0.0000 H 0 0 0
- 2.0797 -2.9530 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 9 1 0
- 8 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-152-20-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.3146 0.1498 0.1428 P 0 0 0
- -1.4393 0.3942 -0.9829 O 0 0 0
- -0.5593 -1.2784 0.8447 O 0 0 0
- 1.6042 0.1748 -0.7582 S 0 0 0
- -0.3953 1.2204 1.1615 O 0 0 0
- -2.6691 0.6291 -0.2940 C 0 0 0
- -0.2562 -2.2761 -0.1323 C 0 0 0
- 2.6435 0.3461 0.7187 C 0 0 0
- -2.5071 1.4770 0.0000 H 0 0 0
- -3.5170 0.7911 0.0000 H 0 0 0
- -2.8311 -0.2188 0.0000 H 0 0 0
- -1.0821 -2.5270 0.0000 H 0 0 0
- -0.0053 -3.1020 0.0000 H 0 0 0
- 0.5697 -2.0252 0.0000 H 0 0 0
- 2.7839 -0.5056 0.0000 H 0 0 0
- 3.4952 0.4865 0.0000 H 0 0 0
- 2.5031 1.1978 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3648-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 84 84 1 V2000
- 0.7174 3.7947 -0.1027 C 0 0 0
- -0.6329 3.5772 0.2307 C 0 0 0
- 1.3034 5.0277 0.1715 C 0 0 0
- 1.5102 2.7185 -0.7345 C 0 0 0
- -1.3661 4.5976 0.8306 C 0 0 0
- -1.2687 2.2733 -0.0548 C 0 0 0
- 0.5598 6.0289 0.7675 C 0 0 0
- 2.6604 2.3072 -0.1667 O 0 0 0
- 1.1244 2.2053 -1.7654 O 0 0 0
- -0.7674 5.8151 1.0952 C 0 0 0
- -2.5901 2.1093 0.1492 O 0 0 0
- -0.5996 1.3501 -0.4732 O 0 0 0
- 3.4390 1.2503 -0.7872 C 0 0 0
- -3.2145 0.8288 -0.1312 C 0 0 0
- 4.6881 0.9767 0.0528 C 0 0 0
- -4.7096 0.9108 0.1833 C 0 0 0
- 5.5085 -0.1370 -0.6010 C 0 0 0
- -5.3676 -0.4385 -0.1122 C 0 0 0
- 6.7577 -0.4105 0.2390 C 0 0 0
- -6.8627 -0.3566 0.2024 C 0 0 0
- 7.5781 -1.5242 -0.4148 C 0 0 0
- -7.5207 -1.7059 -0.0931 C 0 0 0
- 8.8273 -1.7978 0.4253 C 0 0 0
- -9.0158 -1.6239 0.2214 C 0 0 0
- 9.6477 -2.9115 -0.2286 C 0 0 0
- -9.6738 -2.9732 -0.0740 C 0 0 0
- 10.8969 -3.1851 0.6115 C 0 0 0
- -11.1689 -2.8913 0.2405 C 0 0 0
- 11.7173 -4.2988 -0.0424 C 0 0 0
- -11.8269 -4.2406 -0.0550 C 0 0 0
- 12.9664 -4.5723 0.7977 C 0 0 0
- -13.3219 -4.1586 0.2596 C 0 0 0
- 13.7868 -5.6860 0.1438 C 0 0 0
- -13.9800 -5.5079 -0.0359 C 0 0 0
- 2.3301 5.1282 0.0000 H 0 0 0
- -2.3942 4.5121 0.0000 H 0 0 0
- 0.9483 6.9846 0.0000 H 0 0 0
- -1.3808 6.6445 0.0000 H 0 0 0
- 2.4704 0.8952 0.0000 H 0 0 0
- 3.5090 0.2211 0.0000 H 0 0 0
- -3.4071 -0.1847 0.0000 H 0 0 0
- -2.2355 0.5036 0.0000 H 0 0 0
- 5.6567 1.3318 0.0000 H 0 0 0
- 4.6181 2.0059 0.0000 H 0 0 0
- -4.5170 1.9243 0.0000 H 0 0 0
- -5.6886 1.2360 0.0000 H 0 0 0
- 4.5399 -0.4921 0.0000 H 0 0 0
- 5.5785 -1.1662 0.0000 H 0 0 0
- -5.5601 -1.4520 0.0000 H 0 0 0
- -4.3886 -0.7637 0.0000 H 0 0 0
- 7.7263 -0.0554 0.0000 H 0 0 0
- 6.6877 0.6187 0.0000 H 0 0 0
- -6.6702 0.6569 0.0000 H 0 0 0
- -7.8417 -0.0314 0.0000 H 0 0 0
- 6.6095 -1.8793 0.0000 H 0 0 0
- 7.6481 -2.5534 0.0000 H 0 0 0
- -7.7133 -2.7194 0.0000 H 0 0 0
- -6.5417 -2.0311 0.0000 H 0 0 0
- 9.7959 -1.4427 0.0000 H 0 0 0
- 8.7573 -0.7686 0.0000 H 0 0 0
- -8.8232 -0.6104 0.0000 H 0 0 0
- -9.9948 -1.2987 0.0000 H 0 0 0
- 8.6791 -3.2666 0.0000 H 0 0 0
- 9.7177 -3.9407 0.0000 H 0 0 0
- -9.8663 -3.9867 0.0000 H 0 0 0
- -8.6948 -3.2984 0.0000 H 0 0 0
- 11.8655 -2.8300 0.0000 H 0 0 0
- 10.8269 -2.1559 0.0000 H 0 0 0
- -10.9764 -1.8778 0.0000 H 0 0 0
- -12.1479 -2.5661 0.0000 H 0 0 0
- 10.7487 -4.6539 0.0000 H 0 0 0
- 11.7873 -5.3280 0.0000 H 0 0 0
- -12.0195 -5.2541 0.0000 H 0 0 0
- -10.8479 -4.5658 0.0000 H 0 0 0
- 13.9350 -4.2172 0.0000 H 0 0 0
- 12.8964 -3.5431 0.0000 H 0 0 0
- -13.1293 -3.1451 0.0000 H 0 0 0
- -14.3009 -3.8333 0.0000 H 0 0 0
- 12.9562 -6.2978 0.0000 H 0 0 0
- 14.3986 -6.5166 0.0000 H 0 0 0
- 14.6174 -5.0742 0.0000 H 0 0 0
- -14.9072 -5.0557 0.0000 H 0 0 0
- -14.4322 -6.4351 0.0000 H 0 0 0
- -13.0528 -5.9601 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 7 10 1 0
- 3 35 1 0
- 5 36 1 0
- 7 37 1 0
- 10 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 16 46 1 0
- 17 47 1 0
- 17 48 1 0
- 18 49 1 0
- 18 50 1 0
- 19 51 1 0
- 19 52 1 0
- 20 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 22 57 1 0
- 22 58 1 0
- 23 59 1 0
- 23 60 1 0
- 24 61 1 0
- 24 62 1 0
- 25 63 1 0
- 25 64 1 0
- 26 65 1 0
- 26 66 1 0
- 27 67 1 0
- 27 68 1 0
- 28 69 1 0
- 28 70 1 0
- 29 71 1 0
- 29 72 1 0
- 30 73 1 0
- 30 74 1 0
- 31 75 1 0
- 31 76 1 0
- 32 77 1 0
- 32 78 1 0
- 33 79 1 0
- 33 80 1 0
- 33 81 1 0
- 34 82 1 0
- 34 83 1 0
- 34 84 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-31431-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -0.7181 -0.6033 0.1747 C 0 0 0
- -0.8880 -1.7394 -0.6379 C 0 0 0
- 0.5500 -0.2870 0.6574 C 0 0 0
- -1.9397 -0.0222 0.3089 N 0 0 0
- -2.2315 -1.7876 -0.9531 N 0 0 0
- 0.2027 -2.5403 -0.9561 C 0 0 0
- 1.6322 -1.1006 0.3283 C 0 0 0
- -2.8288 -0.7147 -0.3555 C 0 0 0
- 1.4440 -2.2289 -0.4820 C 0 0 0
- 2.9792 -0.7742 0.8344 C 0 0 0
- -4.1762 -0.4085 -0.4362 N 0 0 0
- 3.7579 0.3169 0.2124 C 0 0 0
- 3.4485 -1.4029 1.7632 O 0 0 0
- -4.6426 0.7305 0.1130 C 0 0 0
- 4.9683 0.7248 0.7769 C 0 0 0
- 3.2894 0.9411 -0.9461 C 0 0 0
- -5.9316 1.0804 -0.0552 O 0 0 0
- -3.8996 1.4415 0.7600 O 0 0 0
- 5.6900 1.7441 0.1910 C 0 0 0
- 4.0212 1.9587 -1.5212 C 0 0 0
- -6.4340 2.3075 0.5365 C 0 0 0
- 5.2172 2.3618 -0.9532 C 0 0 0
- 0.7393 0.6463 0.0000 H 0 0 0
- -2.6993 -2.6171 0.0000 H 0 0 0
- 0.0193 -3.4747 0.0000 H 0 0 0
- 2.1439 -2.8746 0.0000 H 0 0 0
- -4.7917 -1.1351 0.0000 H 0 0 0
- 5.5369 -0.0391 0.0000 H 0 0 0
- 2.3372 0.9314 0.0000 H 0 0 0
- 6.6421 1.7618 0.0000 H 0 0 0
- 3.4554 2.7247 0.0000 H 0 0 0
- -5.5527 2.6683 0.0000 H 0 0 0
- -6.7948 3.1888 0.0000 H 0 0 0
- -7.3153 1.9467 0.0000 H 0 0 0
- 5.4952 3.2726 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 14 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 5 8 1 0
- 7 9 1 0
- 20 22 1 0
- 3 23 1 0
- 5 24 1 0
- 6 25 1 0
- 9 26 1 0
- 11 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
- 21 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17241-59-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.6716 0.4612 0.2431 C 0 0 0
- -0.4964 -0.9340 0.1813 C 0 0 0
- 0.5123 1.3455 0.3153 C 0 0 0
- -1.9548 0.9963 0.2301 C 0 0 0
- 0.8698 -1.5016 0.1889 C 0 0 0
- -1.6081 -1.7662 0.1128 C 0 0 0
- 1.8494 0.7877 0.0159 C 0 0 0
- 0.3878 2.5160 0.6164 O 0 0 0
- -3.0513 0.1536 0.1563 C 0 0 0
- 2.0246 -0.6072 -0.0459 C 0 0 0
- 1.0414 -2.6882 0.3859 O 0 0 0
- -2.8795 -1.2172 0.1052 C 0 0 0
- 2.9342 1.6296 -0.2048 C 0 0 0
- -4.4418 0.7344 0.1418 C 0 0 0
- 3.2811 -1.1327 -0.3275 C 0 0 0
- 4.1784 1.0901 -0.4834 C 0 0 0
- -5.1047 0.3531 -1.0653 O 0 0 0
- 4.3504 -0.2806 -0.5452 C 0 0 0
- -2.0894 2.0254 0.0000 H 0 0 0
- -1.4864 -2.7970 0.0000 H 0 0 0
- -3.7096 -1.8403 0.0000 H 0 0 0
- 2.8044 2.6594 0.0000 H 0 0 0
- -3.8443 1.5831 0.0000 H 0 0 0
- -5.1414 1.5011 0.0000 H 0 0 0
- 3.4242 -2.1607 0.0000 H 0 0 0
- 5.0089 1.7126 0.0000 H 0 0 0
- -6.0044 -0.1644 0.0000 H 0 0 0
- 5.3117 -0.6719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 13 16 2 0
- 14 17 1 0
- 15 18 2 0
- 7 10 2 0
- 9 12 2 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0000 0.1057 -0.1120 C 0 0 0
- -1.2492 0.8402 0.3787 C 0 0 0
- 1.2492 0.8402 0.3787 C 0 0 0
- 0.0000 -1.2284 0.3999 O 0 0 0
- -2.7214 -0.0253 -0.1996 Cl 0 0 0
- 2.7214 -0.0253 -0.1996 Cl 0 0 0
- 0.9434 -0.4340 0.0000 H 0 0 0
- -0.5484 1.6709 0.0000 H 0 0 0
- -1.9500 1.6710 0.0000 H 0 0 0
- 1.9500 1.6710 0.0000 H 0 0 0
- 0.5484 1.6709 0.0000 H 0 0 0
- 0.0000 -2.3153 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74014-51-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-127129 1 V2000
- -5.3368 -1.2139 0.0000 C 0 0 2
- -5.3368 0.4374 0.0000 C 0 0 2
- -3.4558 -2.0122 0.0000 O 0 0 0
- -6.7585 -2.0122 0.0000 C 0 0 2
- -6.7585 1.2576 0.0000 C 0 0 0
- -4.2322 1.1373 0.0000 C 0 0 0
- -1.5092 -1.1811 0.0000 C 0 0 1
- -6.7585 -3.6089 0.0000 C 0 0 1
- -8.1583 -1.1373 0.0000 O 0 0 0
- -6.7585 2.9090 0.0000 C 0 0 2
- -4.2322 2.4606 0.0000 C 0 0 0
- -1.5092 0.2406 0.0000 C 0 0 1
- -0.1859 -1.9575 0.0000 O 0 0 0
- -8.1583 -4.4619 0.0000 C 0 0 0
- -5.3368 -4.4291 0.0000 O 0 0 0
- -8.1583 0.5140 0.0000 C 0 0 0
- -8.1583 3.6854 0.0000 C 0 0 2
- -6.2335 4.4072 0.0000 C 0 0 0
- -5.4133 2.9637 0.0000 O 0 0 0
- -0.1859 1.1155 0.0000 C 0 0 2
- -2.3622 0.8858 0.0000 O 0 0 0
- 1.1155 -1.1811 0.0000 C 0 0 1
- -9.5362 -3.6089 0.0000 C 0 0 0
- -9.5581 2.8871 0.0000 C 0 0 0
- -8.1583 5.2821 0.0000 O 0 0 0
- 1.1155 0.2625 0.0000 C 0 0 1
- -0.1859 2.4825 0.0000 N 0 0 0
- 2.3403 -1.8591 0.0000 C 0 0 0
- -10.9798 -4.4619 0.0000 O 0 0 0
- -9.5362 -2.0560 0.0000 O 0 0 0
- -9.5581 1.2576 0.0000 C 0 0 0
- 2.8106 1.1155 0.0000 O 0 0 0
- -1.4326 3.1168 0.0000 C 0 0 0
- 1.0170 3.1605 0.0000 C 0 0 0
- -12.4014 -3.6089 0.0000 C 0 0 1
- -10.9798 0.4374 0.0000 C 0 0 0
- 4.5603 0.2625 0.0000 C 0 0 1
- -12.4014 -2.0122 0.0000 C 0 0 0
- -13.7794 -4.4619 0.0000 C 0 0 0
- -10.9798 -1.1811 0.0000 C 0 0 0
- 4.5603 -1.1811 0.0000 C 0 0 0
- 5.9054 1.0389 0.0000 O 0 0 0
- 5.9054 -1.9575 0.0000 C 0 0 2
- 7.1084 0.2625 0.0000 C 0 0 2
- 7.1084 -1.1811 0.0000 C 0 0 2
- 7.0537 -2.9090 0.0000 O 0 0 0
- 4.7900 -2.9090 0.0000 C 0 0 0
- 8.3332 1.0389 0.0000 C 0 0 0
- 8.4317 -2.0122 0.0000 O 0 0 0
- 7.0537 -4.4291 0.0000 C 0 0 0
- 9.7768 -1.2905 0.0000 C 0 0 0
- 8.3879 -5.1618 0.0000 C 0 0 0
- 5.7086 -5.1837 0.0000 O 0 0 0
- 11.1110 -2.1107 0.0000 C 0 0 0
- 9.7768 0.2406 0.0000 O 0 0 0
- 9.7112 -4.3635 0.0000 C 0 0 0
- 12.4561 -1.3889 0.0000 C 0 0 0
- 13.7794 -2.2091 0.0000 C 0 0 0
- -5.2725 -2.3795 0.0000 H 0 0 0
- -4.3141 -0.1253 0.0000 H 0 0 0
- -7.7795 -2.5781 0.0000 H 0 0 0
- -7.9081 1.4602 0.0000 H 0 0 0
- -7.1575 0.1606 0.0000 H 0 0 0
- -3.8030 0.0517 0.0000 H 0 0 0
- -3.0855 1.3558 0.0000 H 0 0 0
- -1.5833 -2.3461 0.0000 H 0 0 0
- -7.7763 -3.0372 0.0000 H 0 0 0
- -5.6077 2.7132 0.0000 H 0 0 0
- -3.2584 3.1043 0.0000 H 0 0 0
- -2.5544 -0.2793 0.0000 H 0 0 0
- -8.9198 -5.3466 0.0000 H 0 0 0
- -7.4030 -5.3520 0.0000 H 0 0 0
- -4.3257 -5.0124 0.0000 H 0 0 0
- -6.9910 0.5140 0.0000 H 0 0 0
- -8.1583 1.6813 0.0000 H 0 0 0
- -9.3256 0.5140 0.0000 H 0 0 0
- -8.1514 2.5181 0.0000 H 0 0 0
- -5.1318 4.0212 0.0000 H 0 0 0
- -5.8475 5.5089 0.0000 H 0 0 0
- -7.3352 4.7932 0.0000 H 0 0 0
- -1.2141 1.6683 0.0000 H 0 0 0
- -3.2932 1.5900 0.0000 H 0 0 0
- 0.1004 -0.6047 0.0000 H 0 0 0
- -10.5675 3.4735 0.0000 H 0 0 0
- -8.1583 6.4494 0.0000 H 0 0 0
- 0.0884 -0.2923 0.0000 H 0 0 0
- 1.7749 -2.8804 0.0000 H 0 0 0
- 3.3616 -2.4245 0.0000 H 0 0 0
- 2.9057 -0.8378 0.0000 H 0 0 0
- -8.5472 0.6738 0.0000 H 0 0 0
- -0.9033 4.1572 0.0000 H 0 0 0
- -2.4730 3.6461 0.0000 H 0 0 0
- -1.9619 2.0764 0.0000 H 0 0 0
- 1.5902 2.1436 0.0000 H 0 0 0
- 2.0339 3.7337 0.0000 H 0 0 0
- 0.4438 4.1774 0.0000 H 0 0 0
- -13.4212 -3.0408 0.0000 H 0 0 0
- -11.9907 1.0212 0.0000 H 0 0 0
- 4.5195 1.4291 0.0000 H 0 0 0
- -12.8046 -0.9167 0.0000 H 0 0 0
- -13.5506 -2.2170 0.0000 H 0 0 0
- -14.3938 -3.4693 0.0000 H 0 0 0
- -14.7720 -5.0763 0.0000 H 0 0 0
- -13.1650 -5.4545 0.0000 H 0 0 0
- -9.9673 -1.7620 0.0000 H 0 0 0
- 3.4107 -0.9784 0.0000 H 0 0 0
- 4.1611 -2.2781 0.0000 H 0 0 0
- 6.0833 -0.2960 0.0000 H 0 0 0
- 6.0833 -0.6226 0.0000 H 0 0 0
- 4.0324 -2.0209 0.0000 H 0 0 0
- 3.9019 -3.6666 0.0000 H 0 0 0
- 5.5476 -3.7971 0.0000 H 0 0 0
- 8.9582 0.0530 0.0000 H 0 0 0
- 9.3191 1.6639 0.0000 H 0 0 0
- 7.7082 2.0248 0.0000 H 0 0 0
- 7.6562 -6.0714 0.0000 H 0 0 0
- 9.1559 -6.0409 0.0000 H 0 0 0
- 10.3352 -2.9830 0.0000 H 0 0 0
- 11.8343 -3.0270 0.0000 H 0 0 0
- 10.3142 -5.3630 0.0000 H 0 0 0
- 10.7107 -3.7605 0.0000 H 0 0 0
- 9.1082 -3.3640 0.0000 H 0 0 0
- 13.2340 -0.5185 0.0000 H 0 0 0
- 11.7340 -0.4717 0.0000 H 0 0 0
- 13.1644 -3.2013 0.0000 H 0 0 0
- 14.7716 -2.8241 0.0000 H 0 0 0
- 14.3944 -1.2169 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 6
- 1 4 1 0
- 2 5 1 0
- 2 6 1 6
- 7 3 1 1
- 4 8 1 0
- 4 9 1 6
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 6
- 9 16 1 0
- 10 17 1 0
- 10 18 1 6
- 11 19 2 0
- 12 20 1 0
- 12 21 1 6
- 13 22 1 0
- 14 23 1 0
- 17 24 1 0
- 17 25 1 6
- 20 26 1 0
- 20 27 1 1
- 22 28 1 1
- 23 29 1 0
- 23 30 2 0
- 24 31 2 0
- 26 32 1 6
- 27 33 1 0
- 27 34 1 0
- 29 35 1 0
- 31 36 1 0
- 37 32 1 6
- 35 38 1 0
- 35 39 1 6
- 36 40 2 0
- 37 41 1 0
- 37 42 1 0
- 41 43 1 0
- 42 44 1 0
- 43 45 1 0
- 43 46 1 0
- 43 47 1 1
- 44 48 1 1
- 45 49 1 6
- 46 50 1 0
- 49 51 1 0
- 50 52 1 0
- 50 53 2 0
- 51 54 1 0
- 51 55 2 0
- 52 56 1 0
- 54 57 1 0
- 57 58 1 0
- 22 26 1 0
- 38 40 1 0
- 44 45 1 0
- 1 59 1 0
- 2 60 1 0
- 4 61 1 0
- 5 62 1 0
- 5 63 1 0
- 6 64 1 0
- 6 65 1 0
- 7 66 1 0
- 8 67 1 0
- 10 68 1 0
- 11 69 1 0
- 12 70 1 0
- 14 71 1 0
- 14 72 1 0
- 15 73 1 0
- 16 74 1 0
- 16 75 1 0
- 16 76 1 0
- 17 77 1 0
- 18 78 1 0
- 18 79 1 0
- 18 80 1 0
- 20 81 1 0
- 21 82 1 0
- 22 83 1 0
- 24 84 1 0
- 25 85 1 0
- 26 86 1 0
- 28 87 1 0
- 28 88 1 0
- 28 89 1 0
- 31 90 1 0
- 33 91 1 0
- 33 92 1 0
- 33 93 1 0
- 34 94 1 0
- 34 95 1 0
- 34 96 1 0
- 35 97 1 0
- 36 98 1 0
- 37 99 1 0
- 38100 1 0
- 38101 1 0
- 39102 1 0
- 39103 1 0
- 39104 1 0
- 40105 1 0
- 41106 1 0
- 41107 1 0
- 44108 1 0
- 45109 1 0
- 47110 1 0
- 47111 1 0
- 47112 1 0
- 48113 1 0
- 48114 1 0
- 48115 1 0
- 52116 1 0
- 52117 1 0
- 54118 1 0
- 54119 1 0
- 56120 1 0
- 56121 1 0
- 56122 1 0
- 57123 1 0
- 57124 1 0
- 58125 1 0
- 58126 1 0
- 58127 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7226-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.0000 -0.6766 0.0078 C 0 0 0
- -1.1766 -0.0353 0.0669 N 0 0 0
- 1.1766 -0.0351 0.0666 N 0 0 0
- 0.0001 -1.8878 -0.0984 O 0 0 0
- -1.2442 1.4196 0.2132 C 0 0 0
- -2.4193 -0.8066 -0.0172 C 0 0 0
- 1.2441 1.4198 0.2129 C 0 0 0
- 2.4194 -0.8064 -0.0168 C 0 0 0
- -0.0002 2.0474 -0.4244 C 0 0 0
- -1.5800 2.4094 0.0000 H 0 0 0
- -2.2712 1.2255 0.0000 H 0 0 0
- -2.9705 0.0815 0.0000 H 0 0 0
- -3.3074 -1.3578 0.0000 H 0 0 0
- -1.8681 -1.6947 0.0000 H 0 0 0
- 2.2712 1.2259 0.0000 H 0 0 0
- 1.5797 2.4097 0.0000 H 0 0 0
- 1.8682 -1.6945 0.0000 H 0 0 0
- 3.3075 -1.3576 0.0000 H 0 0 0
- 2.9706 0.0817 0.0000 H 0 0 0
- 0.6564 2.8606 0.0000 H 0 0 0
- -0.6570 2.8605 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 7 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52-86-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 51 1 V2000
- 4.4836 0.3317 0.2086 C 0 0 0
- 3.0686 0.8352 0.3325 C 0 0 0
- 5.2887 0.2498 1.3297 C 0 0 0
- 4.9742 -0.0536 -1.0248 C 0 0 0
- 2.6538 1.5252 -0.9707 C 0 0 0
- 2.1257 -0.3437 0.5927 C 0 0 0
- 2.9848 1.7654 1.4141 O 0 0 0
- 6.5862 -0.2122 1.2167 C 0 0 0
- 6.2719 -0.5160 -1.1391 C 0 0 0
- 1.1818 1.9317 -0.8782 C 0 0 0
- 0.6812 0.1604 0.6035 C 0 0 0
- 7.0796 -0.5931 -0.0187 C 0 0 0
- 0.3475 0.7381 -0.7028 N 0 0 0
- 8.7094 -1.1737 -0.1614 Cl 0 0 0
- -1.0429 1.2040 -0.6155 C 0 0 0
- -1.9726 0.0030 -0.4308 C 0 0 0
- -3.4207 0.4883 -0.3399 C 0 0 0
- -4.3364 -0.6947 -0.1580 C 0 0 0
- -5.7877 -0.4901 -0.0433 C 0 0 0
- -3.8761 -1.8155 -0.1061 O 0 0 0
- -6.6407 -1.5863 0.1257 C 0 0 0
- -6.3217 0.8025 -0.0969 C 0 0 0
- -7.9998 -1.3876 0.2329 C 0 0 0
- -7.6822 0.9873 0.0116 C 0 0 0
- -8.5229 -0.1044 0.1737 C 0 0 0
- -9.8565 0.0837 0.2795 F 0 0 0
- 5.5166 1.2608 0.0000 H 0 0 0
- 4.4737 -0.9611 0.0000 H 0 0 0
- 3.6523 1.8027 0.0000 H 0 0 0
- 2.6530 2.5616 0.0000 H 0 0 0
- 1.6761 -1.2775 0.0000 H 0 0 0
- 3.0028 -0.8957 0.0000 H 0 0 0
- 2.8918 2.7976 0.0000 H 0 0 0
- 7.0828 0.6974 0.0000 H 0 0 0
- 6.0470 -1.5277 0.0000 H 0 0 0
- 1.5691 2.8930 0.0000 H 0 0 0
- 0.2706 2.4254 0.0000 H 0 0 0
- -0.3261 -0.0832 0.0000 H 0 0 0
- 0.6302 -0.8747 0.0000 H 0 0 0
- -0.6060 2.1438 0.0000 H 0 0 0
- -1.9281 1.7430 0.0000 H 0 0 0
- -2.4095 -0.9368 0.0000 H 0 0 0
- -1.0874 -0.5360 0.0000 H 0 0 0
- -2.9838 1.4281 0.0000 H 0 0 0
- -4.3059 1.0273 0.0000 H 0 0 0
- -6.2542 -2.5479 0.0000 H 0 0 0
- -5.6887 1.6231 0.0000 H 0 0 0
- -8.6388 -2.2035 0.0000 H 0 0 0
- -8.0760 1.9459 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 19 21 2 0
- 19 22 1 0
- 21 23 1 0
- 22 24 2 0
- 23 25 2 0
- 25 26 1 0
- 9 12 2 0
- 11 13 1 0
- 24 25 1 0
- 3 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 9 35 1 0
- 10 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 21 46 1 0
- 22 47 1 0
- 23 48 1 0
- 24 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.3074 -0.0002 -0.0020 C 0 0 0
- -1.1761 0.0002 -0.0021 C 0 0 0
- 1.0058 1.1351 -0.4108 C 0 0 0
- 1.0049 -1.1337 0.4121 C 0 0 0
- -1.8757 -1.1327 -0.4129 C 0 0 0
- -1.8753 1.1318 0.4142 C 0 0 0
- 2.3841 1.1328 -0.4095 C 0 0 0
- 2.3837 -1.1318 0.4119 C 0 0 0
- -3.2560 -1.1269 -0.4105 C 0 0 0
- -3.2551 1.1265 0.4125 C 0 0 0
- 3.0780 -0.0007 -0.0010 C 0 0 0
- -3.9446 0.0006 -0.0014 C 0 0 0
- 4.4737 -0.0009 -0.0005 N 0 0 0
- 0.5191 2.0077 0.0000 H 0 0 0
- 0.5181 -2.0062 0.0000 H 0 0 0
- -1.3908 -2.0063 0.0000 H 0 0 0
- -1.3904 2.0054 0.0000 H 0 0 0
- 2.8732 2.0040 0.0000 H 0 0 0
- 2.8722 -2.0034 0.0000 H 0 0 0
- -3.7467 -1.9973 0.0000 H 0 0 0
- -3.7451 1.9973 0.0000 H 0 0 0
- -4.9438 0.0012 0.0000 H 0 0 0
- 4.9732 -0.8663 0.0000 H 0 0 0
- 4.9734 0.8643 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 8 11 2 0
- 10 12 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-874-42-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -2.5569 -0.8698 -0.0014 C 0 0 0
- -2.9940 -2.0010 -0.0021 O 0 0 0
- -1.1046 -0.6430 -0.0013 C 0 0 0
- -0.5960 0.6617 -0.0005 C 0 0 0
- -0.2229 -1.7300 0.0038 C 0 0 0
- -1.6792 2.0183 0.0010 Cl 0 0 0
- 0.7690 0.8657 -0.0004 C 0 0 0
- 1.1368 -1.5099 0.0039 C 0 0 0
- 1.6338 -0.2157 -0.0011 C 0 0 0
- 3.3492 0.0506 -0.0010 Cl 0 0 0
- -3.2126 -0.0564 0.0000 H 0 0 0
- -0.5952 -2.7061 0.0000 H 0 0 0
- 1.1506 1.8382 0.0000 H 0 0 0
- 1.7956 -2.3207 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 7 2 0
- 10 9 1 0
- 8 9 1 0
- 1 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117823-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.0138 -0.4721 0.0604 C 0 0 0
- -1.3247 -0.1643 -0.0012 C 0 0 0
- 1.0228 0.6065 -0.1217 C 0 0 0
- 0.4036 -1.8557 0.3106 C 0 0 0
- -1.7487 1.2488 -0.0863 C 0 0 0
- -2.5150 -1.4278 0.0195 Cl 0 0 0
- 2.0444 0.7144 1.3601 Cl 0 0 0
- 2.0619 0.2081 -1.5403 Cl 0 0 0
- 1.5830 -2.1326 0.3660 O 0 0 0
- -1.9145 1.9714 1.0388 O 0 0 0
- -1.9476 1.7588 -1.1702 O 0 0 0
- 0.6010 1.4681 0.0000 H 0 0 0
- -0.2532 -2.5548 0.0000 H 0 0 0
- -2.1290 2.9064 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 3 12 1 0
- 4 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7496-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.7960 0.1223 -0.0034 C 0 0 0
- 0.3098 -1.1987 0.0151 C 0 0 0
- 2.2444 0.3335 -0.0179 C 0 0 0
- -0.0992 1.2064 -0.0133 C 0 0 0
- -1.1390 -1.4098 0.0291 C 0 0 0
- 1.2048 -2.2824 0.0193 C 0 0 0
- 3.0977 -0.7946 -0.0127 C 0 0 0
- 2.7949 1.6182 -0.0372 C 0 0 0
- -1.4385 1.0167 -0.0059 C 0 0 0
- -1.9920 -0.2813 0.0237 C 0 0 0
- -1.6897 -2.6939 0.0470 C 0 0 0
- 2.5444 -2.0924 0.0056 C 0 0 0
- 4.4877 -0.6005 -0.0268 C 0 0 0
- 4.1508 1.7721 -0.0509 C 0 0 0
- -2.3394 2.1913 -0.0170 N 0 3 0
- -3.3817 -0.4748 0.0369 C 0 0 0
- -3.0461 -2.8474 0.0591 C 0 0 0
- 4.9933 0.6651 -0.0451 C 0 0 0
- -3.2759 2.2332 -0.7946 O 0 0 0
- -2.1441 3.1158 0.7515 O 0 5 0
- -3.8879 -1.7406 0.0546 C 0 0 0
- 0.2805 2.1856 0.0000 H 0 0 0
- 0.8252 -3.2617 0.0000 H 0 0 0
- 2.1681 2.4610 0.0000 H 0 0 0
- -1.0632 -3.5369 0.0000 H 0 0 0
- 3.1836 -2.9258 0.0000 H 0 0 0
- 5.1356 -1.4272 0.0000 H 0 0 0
- 4.5633 2.7380 0.0000 H 0 0 0
- -4.0293 0.3521 0.0000 H 0 0 0
- -3.4589 -3.8132 0.0000 H 0 0 0
- 6.0340 0.8067 0.0000 H 0 0 0
- -4.9287 -1.8819 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 15 20 1 0
- 16 21 1 0
- 7 12 2 0
- 9 10 1 0
- 14 18 1 0
- 17 21 2 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-732-11-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -3.4372 0.7234 0.0793 C 0 0 0
- -3.4481 -0.6709 -0.1263 C 0 0 0
- -2.0378 1.1519 -0.1280 C 0 0 0
- -4.6135 1.3819 0.4001 C 0 0 0
- -2.0550 -1.0427 -0.4516 C 0 0 0
- -4.6342 -1.3765 -0.0020 C 0 0 0
- -1.2988 0.0698 -0.4324 N 0 0 0
- -1.6245 2.2904 -0.0392 O 0 0 0
- -5.7933 0.6637 0.5166 C 0 0 0
- -1.6591 -2.1647 -0.6948 O 0 0 0
- -5.8023 -0.7051 0.3239 C 0 0 0
- 0.1398 0.0991 -0.7075 C 0 0 0
- 1.0563 -0.1356 0.8402 S 0 0 0
- 3.0439 -0.0434 0.1086 P 0 0 0
- 4.0620 0.1390 1.3425 O 0 0 0
- 3.3906 -1.4056 -0.6763 O 0 0 0
- 3.2115 1.4034 -1.0540 S 0 0 0
- 5.3446 0.4249 0.7809 C 0 0 0
- 3.0561 -2.4838 0.1999 C 0 0 0
- -4.6321 2.4006 0.0000 H 0 0 0
- -4.6266 -2.3953 0.0000 H 0 0 0
- -6.6799 1.1658 0.0000 H 0 0 0
- -6.6858 -1.2125 0.0000 H 0 0 0
- 0.7836 0.8888 0.0000 H 0 0 0
- -0.3067 1.0149 0.0000 H 0 0 0
- 5.5663 -0.5695 0.0000 H 0 0 0
- 6.3390 0.6466 0.0000 H 0 0 0
- 5.1229 1.4193 0.0000 H 0 0 0
- 2.0830 -2.1819 0.0000 H 0 0 0
- 2.7542 -3.4569 0.0000 H 0 0 0
- 4.0292 -2.7857 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 5 7 1 0
- 9 11 1 0
- 4 20 1 0
- 6 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106807-80-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.3963 -0.4797 -0.0014 N 0 0 0
- -0.8016 0.1380 -0.0005 C 0 0 0
- 1.5302 0.2488 -0.0006 C 0 0 0
- 0.4636 -1.8941 0.0025 O 0 0 0
- -1.9354 -0.5905 -0.0013 N 0 0 0
- -0.8593 1.3520 0.0012 O 0 0 0
- 2.8696 -0.4418 -0.0017 C 0 0 0
- 1.4726 1.4598 0.0010 O 0 0 0
- -3.2375 0.0809 -0.0003 C 0 0 0
- 0.5116 -2.9038 0.0000 H 0 0 0
- -1.8874 -1.6002 0.0000 H 0 0 0
- 2.4064 -1.3402 0.0000 H 0 0 0
- 3.7680 -0.9050 0.0000 H 0 0 0
- 3.3328 0.4566 0.0000 H 0 0 0
- -2.7742 0.9793 0.0000 H 0 0 0
- -4.1359 0.5442 0.0000 H 0 0 0
- -3.7008 -0.8175 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 5 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65734-38-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.1411 -0.7003 0.2550 C 0 0 0
- 0.7713 -1.6690 -0.1440 C 0 0 0
- 0.3064 0.5639 0.6163 C 0 0 0
- -1.5060 -0.9953 0.2872 N 0 0 0
- 2.1194 -1.3723 -0.1801 C 0 0 0
- 1.6563 0.8541 0.5778 C 0 0 0
- -2.4248 -0.0173 0.6898 N 0 0 0
- 2.5616 -0.1123 0.1803 C 0 0 0
- -3.3939 0.3857 -0.1558 C 0 0 0
- 4.0337 0.2077 0.1400 C 0 0 0
- -4.3821 1.4377 0.2773 C 0 0 0
- -3.4705 -0.0983 -1.2651 O 0 0 0
- 4.2615 1.2888 -0.7664 O 0 0 0
- 0.4747 -2.6301 0.0000 H 0 0 0
- -0.3577 1.3193 0.0000 H 0 0 0
- -1.8050 -1.9556 0.0000 H 0 0 0
- 2.7863 -2.1252 0.0000 H 0 0 0
- 1.9565 1.8140 0.0000 H 0 0 0
- -1.8525 0.8098 0.0000 H 0 0 0
- 4.1075 -0.7954 0.0000 H 0 0 0
- 5.0372 0.1403 0.0000 H 0 0 0
- -3.6490 2.1263 0.0000 H 0 0 0
- -5.0707 2.1708 0.0000 H 0 0 0
- -5.1152 0.7491 0.0000 H 0 0 0
- 4.4689 2.2730 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 6 8 2 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-638-03-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -3.1702 -0.9911 -0.1654 C 0 0 0
- -4.1157 -0.0337 -0.4756 C 0 0 0
- -1.9845 -0.6186 0.4554 C 0 0 0
- -3.8833 1.2948 -0.1691 C 0 0 0
- -5.4019 -0.4367 -1.1495 C 0 0 0
- -1.7543 0.7164 0.7619 C 0 0 0
- -1.0262 -1.5845 0.7711 N 0 0 0
- -2.7043 1.6690 0.4488 C 0 0 0
- 8.2025 0.0840 -0.2053 Cl 0 0 0
- -3.4138 -1.9713 0.0000 H 0 0 0
- -4.6438 1.9595 0.0000 H 0 0 0
- -5.7039 0.5271 0.0000 H 0 0 0
- -6.3657 -0.7387 0.0000 H 0 0 0
- -5.0999 -1.4005 0.0000 H 0 0 0
- -0.7914 1.0213 0.0000 H 0 0 0
- -1.2915 -2.5591 0.0000 H 0 0 0
- -0.0496 -1.3269 0.0000 H 0 0 0
- -2.4645 2.6502 0.0000 H 0 0 0
- 9.2125 0.0840 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 1 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148-79-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- -0.0951 0.0237 -0.0024 C 0 0 0
- -1.5717 0.0314 -0.0022 C 0 0 0
- 0.6987 1.1396 -0.0017 N 0 0 0
- 0.6540 -1.0532 0.0023 N 0 0 0
- -2.2873 -1.1398 -0.0030 C 0 0 0
- -2.2510 1.1700 0.0044 N 0 0 0
- 2.0117 0.7071 -0.0022 C 0 0 0
- 1.9626 -0.6979 0.0005 C 0 0 0
- -3.9573 -0.5044 -0.0015 S 0 0 0
- -3.5602 1.1855 0.0051 C 0 0 0
- 3.2388 1.3550 -0.0016 C 0 0 0
- 3.1557 -1.4272 0.0042 C 0 0 0
- 4.4028 0.6148 -0.0020 C 0 0 0
- 4.3544 -0.7718 0.0016 C 0 0 0
- 0.3757 2.1236 0.0000 H 0 0 0
- -1.9523 -2.1198 0.0000 H 0 0 0
- -4.1985 2.0011 0.0000 H 0 0 0
- 3.2805 2.3898 0.0000 H 0 0 0
- 3.1307 -2.4626 0.0000 H 0 0 0
- 5.3192 1.0974 0.0000 H 0 0 0
- 5.2359 -1.3155 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 11 13 2 0
- 12 14 2 0
- 7 8 2 0
- 9 10 1 0
- 13 14 1 0
- 3 15 1 0
- 5 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-464-43-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.1306 0.7762 -0.2466 C 0 0 1
- -1.1642 0.0504 0.2628 C 0 0 0
- 1.1896 0.2123 0.7488 C 0 0 1
- 0.3996 -0.0047 -1.5687 C 0 0 0
- 0.0551 2.3005 -0.3538 C 0 0 0
- -0.5783 -1.4040 0.1992 C 0 0 2
- -1.5270 0.4605 1.6914 C 0 0 0
- -2.3411 0.2369 -0.6968 C 0 0 0
- 0.7205 -1.2306 1.0438 C 0 0 0
- 2.4690 0.1765 0.1132 O 0 0 0
- -0.0696 -1.4476 -1.2737 C 0 0 0
- 1.4380 1.1513 0.0000 H 0 0 0
- 1.1887 -0.5711 0.0000 H 0 0 0
- 1.1787 0.5753 0.0000 H 0 0 0
- 1.0252 2.3486 0.0000 H 0 0 0
- 0.0070 3.2706 0.0000 H 0 0 0
- -0.9150 2.2524 0.0000 H 0 0 0
- -1.1558 -2.1850 0.0000 H 0 0 0
- -0.7995 1.1041 0.0000 H 0 0 0
- -2.1706 1.1880 0.0000 H 0 0 0
- -2.2545 -0.1831 0.0000 H 0 0 0
- -2.1891 1.1963 0.0000 H 0 0 0
- -3.3005 0.3889 0.0000 H 0 0 0
- -2.4931 -0.7225 0.0000 H 0 0 0
- 0.7047 -2.2018 0.0000 H 0 0 0
- 1.6786 -1.3904 0.0000 H 0 0 0
- 3.4400 0.1493 0.0000 H 0 0 0
- -0.2261 -2.4062 0.0000 H 0 0 0
- 0.8743 -1.6767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 9 1 0
- 6 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1774-66-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 3.2950 1.0117 -0.0035 C 0 0 0
- 1.9117 0.5392 -0.0036 C 0 0 0
- 3.5302 2.2061 0.0006 O 0 0 0
- 4.4090 0.0386 -0.0022 C 0 0 0
- 0.8942 1.4281 0.0008 C 0 0 0
- 5.7311 0.4864 -0.0020 C 0 0 0
- 4.1427 -1.3321 0.0048 C 0 0 0
- -0.4975 0.9527 0.0006 C 0 0 0
- 6.7654 -0.4266 -0.0003 C 0 0 0
- 5.1860 -2.2341 0.0065 C 0 0 0
- -1.5538 1.8701 0.0052 C 0 0 0
- -0.7718 -0.4196 -0.0099 C 0 0 0
- 6.4946 -1.7834 0.0013 C 0 0 0
- -2.8556 1.4169 0.0050 C 0 0 0
- -2.0784 -0.8574 -0.0099 C 0 0 0
- -3.1192 0.0571 0.0004 C 0 0 0
- -4.9087 -0.5542 0.0009 Br 0 0 0
- 1.7109 -0.4802 0.0000 H 0 0 0
- 1.0949 2.4475 0.0000 H 0 0 0
- 5.9358 1.5050 0.0000 H 0 0 0
- 3.1608 -1.6717 0.0000 H 0 0 0
- 7.7499 -0.0945 0.0000 H 0 0 0
- 4.9892 -3.2543 0.0000 H 0 0 0
- -1.3575 2.8904 0.0000 H 0 0 0
- 0.0077 -1.1065 0.0000 H 0 0 0
- 7.2770 -2.4670 0.0000 H 0 0 0
- -3.6411 2.0970 0.0000 H 0 0 0
- -2.2836 -1.8759 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 16 1 0
- 10 13 1 0
- 15 16 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4016-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3427 0.0598 -0.5648 C 0 0 0
- -2.6018 -0.6330 -0.0399 C 0 0 0
- -2.2282 0.6852 0.3662 O 0 0 0
- -0.1178 -0.4772 0.1782 C 0 0 0
- 1.0582 0.1698 -0.3121 O 0 0 0
- 2.1618 -0.3714 0.4168 C 0 0 0
- 3.4593 0.2827 -0.0622 C 0 0 0
- -0.8477 0.9364 0.0000 H 0 0 0
- -3.6083 -0.6164 0.0000 H 0 0 0
- -2.3593 -1.6100 0.0000 H 0 0 0
- -0.7120 -1.2898 0.0000 H 0 0 0
- 0.5469 -1.2332 0.0000 H 0 0 0
- 1.5352 -1.1593 0.0000 H 0 0 0
- 2.7971 -1.1523 0.0000 H 0 0 0
- 3.9125 -0.6162 0.0000 H 0 0 0
- 4.3582 0.7359 0.0000 H 0 0 0
- 3.0061 1.1816 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 2 3 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-999-55-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.8978 -0.1247 -0.0012 C 0 0 0
- -0.4098 0.2031 -0.0004 O 0 0 0
- 1.9199 0.9311 0.0002 C 0 0 0
- 1.2312 -1.2934 0.0020 O 0 0 0
- -1.4198 -0.8401 -0.0018 C 0 0 0
- 3.2108 0.6074 -0.0006 C 0 0 0
- -2.7899 -0.2127 -0.0005 C 0 0 0
- -2.9131 1.0915 0.0016 C 0 0 0
- 1.6425 1.9033 0.0000 H 0 0 0
- -1.9419 -1.7059 0.0000 H 0 0 0
- -0.6186 -1.4568 0.0000 H 0 0 0
- 3.4882 -0.3649 0.0000 H 0 0 0
- 3.9141 1.3337 0.0000 H 0 0 0
- -3.6141 -0.7983 0.0000 H 0 0 0
- -2.0889 1.6771 0.0000 H 0 0 0
- -3.8324 1.5124 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 2 0
- 7 5 1 0
- 8 7 2 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-646-14-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.0687 -0.1361 -0.1248 C 0 0 0
- -1.2548 0.5669 0.5383 C 0 0 0
- 1.2377 0.4566 0.4070 C 0 0 0
- -2.5057 -0.0006 0.0290 N 0 3 0
- 2.4239 -0.2463 -0.2561 C 0 0 0
- -2.7433 -1.1855 0.1812 O 0 0 0
- -3.3081 0.7124 -0.5465 O 0 5 0
- 3.7303 0.3463 0.2758 C 0 0 0
- 4.9165 -0.3566 -0.3874 C 0 0 0
- -0.7647 -0.9009 0.0000 H 0 0 0
- 0.5399 -0.9722 0.0000 H 0 0 0
- -0.5588 1.3317 0.0000 H 0 0 0
- -1.8634 1.4030 0.0000 H 0 0 0
- 1.9336 1.2215 0.0000 H 0 0 0
- 0.6291 1.2926 0.0000 H 0 0 0
- 1.7279 -1.0112 0.0000 H 0 0 0
- 3.0325 -1.0824 0.0000 H 0 0 0
- 4.4263 1.1112 0.0000 H 0 0 0
- 3.1217 1.1824 0.0000 H 0 0 0
- 4.3893 -1.2462 0.0000 H 0 0 0
- 5.8061 -0.8838 0.0000 H 0 0 0
- 5.4437 0.5330 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33804-48-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 3.7851 -0.1913 0.3363 C 0 0 0
- 3.2148 -1.4526 0.1961 C 0 0 0
- 2.9766 0.9387 0.3975 C 0 0 0
- 5.1726 -0.0602 0.4216 N 0 0 0
- 1.8469 -1.5868 0.1175 C 0 0 0
- 1.6074 0.8132 0.3195 C 0 0 0
- 5.8824 0.3102 -0.6626 C 0 0 0
- 5.8568 -0.3252 1.6896 C 0 0 0
- 1.0302 -0.4528 0.1786 C 0 0 0
- 5.9146 -0.5761 -1.8810 C 0 0 0
- 6.4951 1.3569 -0.6577 O 0 0 0
- -0.3269 -0.5815 0.1005 N 0 0 0
- -1.0785 0.4654 0.1571 N 0 0 0
- -2.4350 0.3367 0.0790 C 0 0 0
- -3.2516 1.4708 0.1402 C 0 0 0
- -3.0121 -0.9293 -0.0683 C 0 0 0
- -4.6195 1.3369 0.0606 C 0 0 0
- -4.3804 -1.0550 -0.1472 C 0 0 0
- -5.1899 0.0755 -0.0806 C 0 0 0
- -6.5743 -0.0559 -0.1603 N 0 0 0
- -7.1768 -1.3829 -0.3089 C 0 0 0
- -7.4278 1.1331 -0.0955 C 0 0 0
- 3.8197 -2.2964 0.0000 H 0 0 0
- 3.4086 1.8827 0.0000 H 0 0 0
- 1.4194 -2.5329 0.0000 H 0 0 0
- 1.0065 1.6598 0.0000 H 0 0 0
- 5.4818 -1.2933 0.0000 H 0 0 0
- 6.8249 -0.7002 0.0000 H 0 0 0
- 6.2318 0.6429 0.0000 H 0 0 0
- 4.8771 -0.6138 0.0000 H 0 0 0
- 5.9523 -1.6136 0.0000 H 0 0 0
- 6.9521 -0.5384 0.0000 H 0 0 0
- -2.8239 2.4168 0.0000 H 0 0 0
- -2.4111 -1.7758 0.0000 H 0 0 0
- -5.2243 2.1807 0.0000 H 0 0 0
- -4.8121 -1.9992 0.0000 H 0 0 0
- -8.1221 -0.9537 0.0000 H 0 0 0
- -7.6060 -2.3282 0.0000 H 0 0 0
- -6.2315 -1.8121 0.0000 H 0 0 0
- -6.5844 1.7385 0.0000 H 0 0 0
- -8.0332 1.9765 0.0000 H 0 0 0
- -8.2712 0.5277 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 9 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 6 9 2 0
- 18 19 1 0
- 2 23 1 0
- 3 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-75-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 0.5813 0.7003 0.0052 C 0 0 0
- 0.1502 -0.8325 -0.8639 S 0 0 0
- 2.0257 1.0837 -0.3230 C 0 0 0
- -0.3441 1.8050 -0.4356 C 0 0 0
- -1.6361 -1.3444 0.1566 P 0 0 0
- 2.9511 -0.0210 0.1178 C 0 0 0
- -0.5450 2.8689 0.3578 O 0 0 0
- -0.9054 1.7330 -1.5032 O 0 0 0
- -2.1942 -2.7450 -0.4081 O 0 0 0
- -1.3333 -1.4833 1.7318 O 0 0 0
- -2.9107 -0.0126 -0.1159 S 0 0 0
- 4.2749 0.0972 -0.0706 O 0 0 0
- 2.5015 -1.0132 0.6407 O 0 0 0
- -1.4366 3.9333 -0.0669 C 0 0 0
- -2.3315 -2.5948 -1.8225 C 0 0 0
- -2.5441 -1.9269 2.3476 C 0 0 0
- 5.1665 -0.9672 0.3540 C 0 0 0
- -1.4876 5.0168 1.0121 C 0 0 0
- 6.6109 -0.5838 0.0259 C 0 0 0
- -0.4368 0.4816 0.0000 H 0 0 0
- 2.9128 1.6292 0.0000 H 0 0 0
- 1.6150 2.0407 0.0000 H 0 0 0
- -2.4430 4.2008 0.0000 H 0 0 0
- -1.9956 3.0547 0.0000 H 0 0 0
- -1.5629 -1.8922 0.0000 H 0 0 0
- -3.0341 -1.8262 0.0000 H 0 0 0
- -3.1001 -3.2974 0.0000 H 0 0 0
- -2.9023 -0.9491 0.0000 H 0 0 0
- -3.5219 -2.2851 0.0000 H 0 0 0
- -2.1859 -2.9047 0.0000 H 0 0 0
- 4.2794 -1.5127 0.0000 H 0 0 0
- 5.5772 -1.9242 0.0000 H 0 0 0
- -0.4474 5.0658 0.0000 H 0 0 0
- -1.5366 6.0570 0.0000 H 0 0 0
- -2.5278 4.9678 0.0000 H 0 0 0
- 6.8781 -1.5903 0.0000 H 0 0 0
- 7.6174 -0.3166 0.0000 H 0 0 0
- 6.3437 0.4227 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 14 18 1 0
- 17 19 1 0
- 1 20 1 0
- 3 21 1 0
- 3 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-15-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.4072 0.1151 -0.0009 C 0 0 0
- -1.0819 0.3468 0.0002 C 0 0 0
- 1.2740 1.1916 0.0010 C 0 0 0
- 0.9061 -1.1743 0.0019 C 0 0 0
- -1.7597 -0.9112 -0.0022 O 0 0 0
- -1.4745 1.1353 1.2512 C 0 0 0
- -1.4755 1.1405 -1.2472 C 0 0 0
- 2.6402 0.9790 0.0000 C 0 0 0
- 2.2718 -1.3868 0.0010 C 0 0 0
- -3.1992 -0.6179 -0.0010 O 0 0 0
- 3.1390 -0.3100 -0.0030 C 0 0 0
- 0.8998 2.1586 0.0000 H 0 0 0
- 0.2557 -1.9819 0.0000 H 0 0 0
- -0.5463 1.5975 0.0000 H 0 0 0
- -1.9367 2.0635 0.0000 H 0 0 0
- -2.4027 0.6731 0.0000 H 0 0 0
- -0.5465 1.6012 0.0000 H 0 0 0
- -1.9362 2.0695 0.0000 H 0 0 0
- -2.4045 0.6798 0.0000 H 0 0 0
- 3.2906 1.7866 0.0000 H 0 0 0
- 2.6460 -2.3538 0.0000 H 0 0 0
- -4.2152 -0.4109 0.0000 H 0 0 0
- 4.1636 -0.4695 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 9 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-150-60-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 2.6074 0.5811 0.4296 C 0 0 0
- 1.3370 1.2665 0.8627 C 0 0 0
- 3.5430 1.2692 -0.3196 C 0 0 0
- 2.8394 -0.7343 0.7865 C 0 0 0
- 0.0579 1.0233 -0.4004 S 0 0 0
- 4.7084 0.6404 -0.7169 C 0 0 0
- 4.0045 -1.3629 0.3893 C 0 0 0
- -0.0580 -1.0234 -0.4002 S 0 0 0
- 4.9378 -0.6763 -0.3650 C 0 0 0
- -1.3369 -1.2663 0.8631 C 0 0 0
- -2.6073 -0.5810 0.4301 C 0 0 0
- -3.5431 -1.2693 -0.3188 C 0 0 0
- -2.8393 0.7345 0.7868 C 0 0 0
- -4.7086 -0.6405 -0.7161 C 0 0 0
- -4.0044 1.3630 0.3897 C 0 0 0
- -4.9379 0.6763 -0.3644 C 0 0 0
- 2.0431 1.9650 0.0000 H 0 0 0
- 0.8749 2.1456 0.0000 H 0 0 0
- 3.4739 2.2600 0.0000 H 0 0 0
- 2.0342 -1.3156 0.0000 H 0 0 0
- 5.5143 1.2209 0.0000 H 0 0 0
- 4.0737 -2.3536 0.0000 H 0 0 0
- 5.8594 -1.0465 0.0000 H 0 0 0
- -2.0430 -1.9647 0.0000 H 0 0 0
- -0.8749 -2.1455 0.0000 H 0 0 0
- -3.4739 -2.2600 0.0000 H 0 0 0
- -2.0341 1.3159 0.0000 H 0 0 0
- -5.5145 -1.2210 0.0000 H 0 0 0
- -4.0736 2.3537 0.0000 H 0 0 0
- -5.8594 1.0466 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 10 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 9 1 0
- 15 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4437-51-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.7237 -0.1696 0.1070 C 0 0 0
- -0.7238 0.1686 0.1079 C 0 0 0
- 1.7144 0.7605 -0.5444 C 0 0 0
- 1.1063 -1.1875 0.6328 O 0 0 0
- -1.7148 -0.7596 -0.5458 C 0 0 0
- -1.1056 1.1873 0.6325 O 0 0 0
- 3.1241 0.1823 -0.4058 C 0 0 0
- -3.1245 -0.1818 -0.4048 C 0 0 0
- 2.2312 1.6389 0.0000 H 0 0 0
- 0.9183 1.3969 0.0000 H 0 0 0
- -2.2318 -1.6379 0.0000 H 0 0 0
- -0.9192 -1.3965 0.0000 H 0 0 0
- 2.7373 -0.7606 0.0000 H 0 0 0
- 4.0670 -0.2045 0.0000 H 0 0 0
- 3.5109 1.1252 0.0000 H 0 0 0
- -2.7380 0.7612 0.0000 H 0 0 0
- -4.0675 0.2047 0.0000 H 0 0 0
- -3.5110 -1.1248 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 2 2 0
- 7 3 1 0
- 8 5 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.0129 0.0000 -0.1019 S 0 0 0
- -1.8223 0.0000 0.0275 C 0 0 0
- 0.4386 0.0000 1.3516 O 0 0 0
- 0.4775 -1.2434 -0.5841 O 0 0 0
- 0.4775 1.2434 -0.5841 O 0 0 0
- -1.8223 1.0025 0.0000 H 0 0 0
- -2.8248 0.0000 0.0000 H 0 0 0
- -1.8223 -1.0025 0.0000 H 0 0 0
- 1.4411 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4332-51-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 2.0518 -0.0023 0.4770 C 0 0 0
- 0.6195 -0.0046 0.9458 C 0 0 0
- 2.7085 1.1957 0.2679 C 0 0 0
- 2.7105 -1.1985 0.2615 C 0 0 0
- -0.4871 0.0025 -0.4915 S 0 0 0
- 4.0225 1.1979 -0.1623 C 0 0 0
- 4.0241 -1.1964 -0.1684 C 0 0 0
- -2.0948 -0.0017 0.3488 C 0 0 0
- 4.6792 0.0020 -0.3832 C 0 0 0
- -3.2149 0.0034 -0.6934 C 0 0 0
- -4.8128 -0.0007 0.1417 Cl 0 0 0
- 0.1041 -0.8896 0.0000 H 0 0 0
- 1.1306 -0.8921 0.0000 H 0 0 0
- 2.1859 2.0765 0.0000 H 0 0 0
- 2.1902 -2.0806 0.0000 H 0 0 0
- 4.5433 2.0798 0.0000 H 0 0 0
- 4.5472 -2.0769 0.0000 H 0 0 0
- -2.6088 -0.8876 0.0000 H 0 0 0
- -1.5825 -0.8885 0.0000 H 0 0 0
- 5.7034 0.0030 0.0000 H 0 0 0
- -2.7009 0.8892 0.0000 H 0 0 0
- -3.7272 0.8903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 10 11 1 0
- 7 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2051-10-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.5265 0.2214 0.0853 C 0 0 0
- -0.2636 -0.9344 -0.0121 C 0 0 0
- 1.9780 0.0995 0.0335 C 0 0 0
- -0.1234 1.5323 0.2315 C 0 0 0
- -1.7391 -0.8346 0.0410 C 0 0 0
- 0.3505 -2.1831 -0.1607 C 0 0 0
- 2.5466 -1.1912 -0.1199 C 0 0 0
- 2.8155 1.2156 0.1320 C 0 0 0
- -1.5433 1.6288 -0.2666 C 0 0 0
- 0.4502 2.4824 0.7253 O 0 0 0
- -2.3751 0.4162 -0.0814 C 0 0 0
- -2.5134 -1.9771 0.2135 C 0 0 0
- 1.7042 -2.3122 -0.2137 C 0 0 0
- 3.9447 -1.3218 -0.1737 C 0 0 0
- 4.1686 1.0518 0.0777 C 0 0 0
- -1.9781 2.6384 -0.7809 O 0 0 0
- -3.7631 0.5025 -0.0338 C 0 0 0
- -3.8931 -1.8759 0.2602 C 0 0 0
- 4.7300 -0.2134 -0.0754 C 0 0 0
- -4.5150 -0.6464 0.1368 C 0 0 0
- -0.2426 -3.0419 0.0000 H 0 0 0
- 2.4059 2.1755 0.0000 H 0 0 0
- -2.0585 -2.9164 0.0000 H 0 0 0
- 2.1256 -3.2670 0.0000 H 0 0 0
- 4.3804 -2.2702 0.0000 H 0 0 0
- 4.7892 1.8909 0.0000 H 0 0 0
- -4.2307 1.4355 0.0000 H 0 0 0
- -4.4719 -2.7444 0.0000 H 0 0 0
- 5.7685 -0.3170 0.0000 H 0 0 0
- -5.5570 -0.5884 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 2 0
- 11 17 2 0
- 12 18 1 0
- 14 19 2 0
- 17 20 1 0
- 7 13 2 0
- 9 11 1 0
- 15 19 1 0
- 18 20 2 0
- 6 21 1 0
- 8 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38915-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 52 1 V2000
- -5.6770 0.0899 0.4473 C 0 0 0
- -6.6366 0.8067 -0.3072 C 0 0 0
- -4.5566 0.7713 0.9577 C 0 0 0
- -5.8384 -1.2926 0.6940 C 0 0 0
- -7.8043 0.0841 -0.8360 C 0 0 0
- -6.4947 2.1042 -0.5377 N 0 0 0
- -4.4441 2.1506 0.6892 C 0 0 0
- -3.5979 0.1099 1.6986 N 0 0 0
- -6.9043 -1.9726 0.2232 C 0 0 0
- -7.9230 -1.2967 -0.5707 C 0 0 0
- -8.7348 0.7091 -1.5500 N 0 0 0
- -5.4512 2.7939 -0.0757 C 0 0 0
- -3.3525 2.8944 1.1666 C 0 0 0
- -2.5876 -0.3723 0.7474 C 0 0 0
- -9.0343 -1.9923 -1.0719 C 0 0 0
- -9.7792 0.0667 -2.0233 C 0 0 0
- -5.3300 4.1724 -0.3384 C 0 0 0
- -3.2711 4.2248 0.8907 C 0 0 0
- -1.4886 -1.1192 1.5057 C 0 0 0
- -9.9590 -1.2932 -1.8009 C 0 0 0
- -4.2593 4.8608 0.1405 C 0 0 0
- -0.4363 -1.6214 0.5150 C 0 0 0
- 0.6189 -2.3385 1.2431 N 0 0 0
- 1.5912 -2.7916 0.2394 C 0 0 0
- 2.7241 -3.5506 0.9331 C 0 0 0
- 3.9175 -4.1067 -0.2988 Cl 0 0 0
- 14.3658 0.4120 -0.1161 Cl 0 0 0
- 22.9332 1.5620 -0.6427 Cl 0 0 0
- -5.0275 -1.8005 0.0000 H 0 0 0
- -4.0772 -0.7183 0.0000 H 0 0 0
- -6.9129 -2.9294 0.0000 H 0 0 0
- -2.5206 2.4215 0.0000 H 0 0 0
- -1.7483 0.0871 0.0000 H 0 0 0
- -2.6142 0.5842 0.0000 H 0 0 0
- -9.0764 -2.9482 0.0000 H 0 0 0
- -10.5820 0.5874 0.0000 H 0 0 0
- -6.1490 4.6673 0.0000 H 0 0 0
- -2.4175 4.6572 0.0000 H 0 0 0
- -2.3279 -1.5786 0.0000 H 0 0 0
- -1.4620 -2.0757 0.0000 H 0 0 0
- -10.8418 -1.6623 0.0000 H 0 0 0
- -4.2591 5.8177 0.0000 H 0 0 0
- 0.4030 -1.1620 0.0000 H 0 0 0
- -0.4629 -0.6649 0.0000 H 0 0 0
- 0.1464 -3.1705 0.0000 H 0 0 0
- 2.4271 -2.3259 0.0000 H 0 0 0
- 1.5567 -1.8354 0.0000 H 0 0 0
- 1.8882 -4.0163 0.0000 H 0 0 0
- 2.7587 -4.5068 0.0000 H 0 0 0
- 15.3227 0.4120 0.0000 H 0 0 0
- 23.8901 1.5620 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 14 19 1 0
- 15 20 2 0
- 17 21 2 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 7 12 1 0
- 9 10 1 0
- 16 20 1 0
- 18 21 1 0
- 4 29 1 0
- 8 30 1 0
- 9 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 25 48 1 0
- 25 49 1 0
- 27 50 1 0
- 28 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10453-89-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.8714 0.0630 -0.8209 C 0 0 0
- -0.2900 -0.2368 0.1291 C 0 0 0
- 0.4038 1.1261 0.1751 C 0 0 0
- 2.1256 -0.5929 -0.3035 C 0 0 0
- -1.5937 -0.1119 -0.6163 C 0 0 0
- 1.3089 1.4181 1.3736 C 0 0 0
- -0.3616 2.3281 -0.3821 C 0 0 0
- 2.0809 -1.8493 0.1670 O 0 0 0
- 3.1715 0.0121 -0.3122 O 0 0 0
- -2.7215 -0.4035 -0.0170 C 0 0 0
- -4.0252 -0.2786 -0.7624 C 0 0 0
- -2.7150 -0.8639 1.4180 C 0 0 0
- 1.5468 0.6943 0.0000 H 0 0 0
- -0.2174 -1.1585 0.0000 H 0 0 0
- -1.6664 0.8098 0.0000 H 0 0 0
- 1.5928 0.5382 0.0000 H 0 0 0
- 2.1888 1.7020 0.0000 H 0 0 0
- 1.0250 2.2980 0.0000 H 0 0 0
- 0.4183 2.8247 0.0000 H 0 0 0
- -0.8582 3.1080 0.0000 H 0 0 0
- -1.1415 1.8315 0.0000 H 0 0 0
- 2.0480 -2.7733 0.0000 H 0 0 0
- -3.9370 0.6417 0.0000 H 0 0 0
- -4.9455 -0.1904 0.0000 H 0 0 0
- -4.1134 -1.1989 0.0000 H 0 0 0
- -3.6395 -0.8770 0.0000 H 0 0 0
- -2.7019 -1.7884 0.0000 H 0 0 0
- -1.7905 -0.8508 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 10 11 1 0
- 10 12 1 0
- 2 3 1 0
- 1 13 1 0
- 2 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55256-53-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 54 1 V2000
- -2.8304 0.0117 0.1728 C 0 0 0
- -4.3048 0.3108 0.0024 C 0 0 1
- -2.1875 1.2188 0.4324 C 0 0 0
- -2.1135 -1.1647 0.1077 C 0 0 0
- -4.4056 1.7598 0.5744 C 0 0 1
- -4.5914 0.5462 -1.4688 C 0 0 0
- -5.1670 -0.6357 0.6372 O 0 0 0
- -0.8148 1.2335 0.6573 C 0 0 0
- -3.0682 2.2556 0.4097 O 0 0 0
- -0.7282 -1.1387 0.3069 C 0 0 0
- -2.7459 -2.3377 -0.1468 O 0 0 0
- -5.2489 2.3950 -0.4056 O 0 0 0
- -5.1136 1.7474 -1.5842 C 0 0 0
- -0.0656 0.0602 0.6151 C 0 0 0
- 0.0795 -2.3678 0.1796 C 0 0 0
- 1.2438 0.1320 0.8793 O 0 0 0
- 1.5328 -2.1197 0.0587 C 0 0 0
- -0.4065 -3.4846 0.1749 O 0 0 0
- 2.0163 -0.8531 0.4104 C 0 0 0
- 2.3940 -3.1214 -0.3980 C 0 0 0
- 3.3841 -0.6104 0.2575 C 0 0 0
- 3.7464 -2.8499 -0.5294 C 0 0 0
- 1.9097 -4.3499 -0.7096 O 0 0 0
- 4.2263 -1.5984 -0.2023 C 0 0 0
- 3.9434 0.7464 0.5998 C 0 0 0
- 3.9037 1.6420 -0.6401 C 0 0 0
- 4.4716 3.0195 -0.2925 C 0 0 0
- 4.4320 3.9151 -1.5324 C 0 0 0
- 3.6324 3.6512 0.8200 C 0 0 0
- 5.8228 2.8796 0.1510 O 0 0 0
- -5.3001 1.2742 0.0000 H 0 0 0
- -5.4037 -0.0670 0.0000 H 0 0 0
- -5.8524 -1.3881 0.0000 H 0 0 0
- -0.3305 2.1287 0.0000 H 0 0 0
- -3.2289 -3.2336 0.0000 H 0 0 0
- -6.0835 1.4388 0.0000 H 0 0 0
- 4.4032 -3.6275 0.0000 H 0 0 0
- 1.5364 -5.2968 0.0000 H 0 0 0
- 5.2295 -1.4263 0.0000 H 0 0 0
- 4.6745 0.0382 0.0000 H 0 0 0
- 4.8716 1.1640 0.0000 H 0 0 0
- 3.1727 2.3502 0.0000 H 0 0 0
- 2.9755 1.2244 0.0000 H 0 0 0
- 5.4488 3.9601 0.0000 H 0 0 0
- 4.3870 4.9319 0.0000 H 0 0 0
- 3.4152 3.8701 0.0000 H 0 0 0
- 4.2445 4.4644 0.0000 H 0 0 0
- 2.8192 4.2633 0.0000 H 0 0 0
- 3.0203 2.8380 0.0000 H 0 0 0
- 6.8352 2.7748 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 1 0
- 10 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 2 0
- 20 23 1 0
- 21 24 2 0
- 21 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 27 29 1 0
- 27 30 1 0
- 5 9 1 0
- 10 14 2 0
- 12 13 1 0
- 17 19 2 0
- 22 24 1 0
- 5 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 11 35 1 0
- 13 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
- 25 40 1 0
- 25 41 1 0
- 26 42 1 0
- 26 43 1 0
- 28 44 1 0
- 28 45 1 0
- 28 46 1 0
- 29 47 1 0
- 29 48 1 0
- 29 49 1 0
- 30 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-461-58-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.1541 -0.7975 0.0000 N 0 0 0
- -0.9455 0.0356 0.0000 C 0 0 0
- 1.4028 -0.2713 0.0000 C 0 0 0
- -2.2123 -0.4982 0.0000 N 0 0 0
- -0.7834 1.3279 0.0000 N 0 0 0
- 2.4496 0.1698 0.0000 N 0 0 0
- 0.0276 -1.8059 0.0000 H 0 0 0
- -3.0223 0.1155 0.0000 H 0 0 0
- -2.3388 -1.5066 0.0000 H 0 0 0
- -0.6569 2.3363 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 3 0
- 1 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-580-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -3.4257 0.6501 -0.0011 N 0 0 0
- -2.1043 0.1985 -0.0015 C 0 0 0
- -1.0710 1.1099 0.0002 C 0 0 0
- -1.8406 -1.1767 0.0022 C 0 0 0
- 0.2548 0.6502 0.0002 C 0 0 0
- -0.5647 -1.6445 0.0023 C 0 0 0
- 0.5148 -0.7430 -0.0015 C 0 0 0
- 1.3400 1.5475 0.0014 C 0 0 0
- 1.7774 -1.1830 -0.0019 N 0 0 0
- 2.6040 1.0303 0.0009 C 0 0 0
- 2.7898 -0.3506 -0.0007 C 0 0 0
- -3.6277 1.6766 0.0000 H 0 0 0
- -4.2137 -0.0381 0.0000 H 0 0 0
- -1.2732 2.1363 0.0000 H 0 0 0
- -2.6378 -1.8542 0.0000 H 0 0 0
- -0.3855 -2.6752 0.0000 H 0 0 0
- 1.1824 2.5817 0.0000 H 0 0 0
- 3.4317 1.6701 0.0000 H 0 0 0
- 3.7635 -0.7333 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 6 7 1 0
- 10 11 1 0
- 1 12 1 0
- 1 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 64 1 V2000
- 0.7023 0.3598 -1.0621 P 0 0 0
- 0.0237 -1.0938 -0.9254 O 0 0 0
- -0.3325 1.4849 -0.5568 O 0 0 0
- 2.0369 0.4156 -0.1632 O 0 0 0
- 1.0507 0.6104 -2.4785 O 0 0 0
- -1.0043 -1.1644 -1.9155 C 0 0 0
- -0.6383 1.1826 0.8060 C 0 0 0
- 2.7205 1.6207 -0.5132 C 0 0 0
- -1.6930 -2.5285 -1.8391 C 0 0 0
- -1.6228 2.2199 1.3499 C 0 0 0
- 4.0051 1.7358 0.3098 C 0 0 0
- -2.2682 -2.6997 -0.5422 O 0 0 0
- -2.8227 2.1902 0.5745 O 0 0 0
- 4.8474 0.6140 0.0374 O 0 0 0
- -2.8929 -3.9849 -0.5339 C 0 0 0
- -3.6971 3.1754 1.1286 C 0 0 0
- 6.0241 0.7786 0.8313 C 0 0 0
- -3.5320 -4.2324 0.8341 C 0 0 0
- -5.0079 3.1954 0.3398 C 0 0 0
- 6.9735 -0.3957 0.5854 C 0 0 0
- -4.2009 -5.6084 0.8430 C 0 0 0
- -5.9440 4.2502 0.9331 C 0 0 0
- 8.2334 -0.2196 1.4355 C 0 0 0
- -4.8399 -5.8559 2.2110 C 0 0 0
- -7.2549 4.2701 0.1444 C 0 0 0
- 9.1828 -1.3939 1.1896 C 0 0 0
- -0.8957 -0.1824 0.0000 H 0 0 0
- -1.9513 -0.8830 0.0000 H 0 0 0
- -1.3503 0.4976 0.0000 H 0 0 0
- 0.0515 0.4753 0.0000 H 0 0 0
- 2.8313 2.6024 0.0000 H 0 0 0
- 1.7809 1.9260 0.0000 H 0 0 0
- -1.6564 -3.5158 0.0000 H 0 0 0
- -0.7279 -2.7395 0.0000 H 0 0 0
- -0.7627 2.7060 0.0000 H 0 0 0
- -1.8859 3.1722 0.0000 H 0 0 0
- 4.8907 2.1736 0.0000 H 0 0 0
- 3.7375 2.6868 0.0000 H 0 0 0
- -2.7987 -4.9683 0.0000 H 0 0 0
- -1.9206 -4.1603 0.0000 H 0 0 0
- -2.8203 3.6306 0.0000 H 0 0 0
- -3.9241 4.1369 0.0000 H 0 0 0
- 6.8913 1.2519 0.0000 H 0 0 0
- 5.7140 1.7166 0.0000 H 0 0 0
- -3.6262 -3.2490 0.0000 H 0 0 0
- -4.5043 -4.0570 0.0000 H 0 0 0
- -5.8847 2.7402 0.0000 H 0 0 0
- -4.7810 2.2339 0.0000 H 0 0 0
- 6.1063 -0.8690 0.0000 H 0 0 0
- 7.2835 -1.3337 0.0000 H 0 0 0
- -4.1067 -6.5918 0.0000 H 0 0 0
- -3.2286 -5.7838 0.0000 H 0 0 0
- -5.0672 4.7054 0.0000 H 0 0 0
- -6.1710 5.2117 0.0000 H 0 0 0
- 9.1006 0.2537 0.0000 H 0 0 0
- 7.9234 0.7184 0.0000 H 0 0 0
- -5.1967 -4.9346 0.0000 H 0 0 0
- -5.7612 -6.2127 0.0000 H 0 0 0
- -4.4831 -6.7772 0.0000 H 0 0 0
- -7.2399 5.2579 0.0000 H 0 0 0
- -8.2427 4.2851 0.0000 H 0 0 0
- -7.2699 3.2823 0.0000 H 0 0 0
- 8.4145 -2.0150 0.0000 H 0 0 0
- 9.8039 -2.1622 0.0000 H 0 0 0
- 9.9511 -0.7728 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
- 22 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 24 59 1 0
- 25 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 26 65 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2657-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.6216 1.1825 -0.0039 C 0 0 0
- -0.6138 0.3993 -0.0033 C 0 0 0
- 0.5713 2.3990 -0.0003 O 0 0 0
- 1.9300 0.4977 -0.0027 C 0 0 0
- -1.8101 1.0254 0.0012 C 0 0 0
- 3.1115 1.2441 -0.0033 C 0 0 0
- 1.9900 -0.8990 0.0048 C 0 0 0
- -3.0527 0.2377 0.0018 C 0 0 0
- 4.3296 0.6016 -0.0017 C 0 0 0
- 3.2117 -1.5335 0.0064 C 0 0 0
- -4.2939 0.8826 0.0065 C 0 0 0
- -2.9991 -1.1603 -0.0082 C 0 0 0
- 4.3849 -0.7873 0.0005 C 0 0 0
- -5.4540 0.1371 0.0065 C 0 0 0
- -4.1679 -1.8912 -0.0081 C 0 0 0
- 5.5873 -1.4166 0.0016 O 0 0 0
- -5.3924 -1.2455 0.0019 C 0 0 0
- -0.5707 -0.6402 0.0000 H 0 0 0
- -1.8532 2.0649 0.0000 H 0 0 0
- 3.0709 2.2837 0.0000 H 0 0 0
- 1.1126 -1.4581 0.0000 H 0 0 0
- 5.2096 1.1565 0.0000 H 0 0 0
- 3.2572 -2.5729 0.0000 H 0 0 0
- -4.3417 1.9219 0.0000 H 0 0 0
- -2.0796 -1.6470 0.0000 H 0 0 0
- -6.3780 0.6153 0.0000 H 0 0 0
- -4.1296 -2.9309 0.0000 H 0 0 0
- 6.5091 -1.8990 0.0000 H 0 0 0
- -6.2711 -1.8026 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 10 13 1 0
- 15 17 1 0
- 2 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74-95-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- 0.0000 -1.0557 0.0000 C 0 0 0
- -1.6052 0.0793 0.0000 Br 0 0 0
- 1.6052 0.0793 0.0000 Br 0 0 0
- -0.9819 -2.1556 0.0000 H 0 0 0
- 0.9819 -2.1556 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-25-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.8568 0.1738 -0.0330 C 0 0 0
- -0.2421 -0.6448 -0.2139 C 0 0 0
- 0.6893 1.5418 0.0765 C 0 0 0
- 2.2125 -0.4148 0.0494 N 0 3 0
- -1.5089 -0.0956 -0.2851 C 0 0 0
- -0.5771 2.0908 0.0053 C 0 0 0
- 3.1809 0.3066 0.2088 O 0 0 0
- 2.3596 -1.6204 -0.0421 O 0 5 0
- -1.6764 1.2720 -0.1756 C 0 0 0
- -2.7070 -0.9881 -0.4828 C 0 0 0
- -3.6005 -0.8375 0.6222 O 0 0 0
- -0.1229 -1.6713 0.0000 H 0 0 0
- 1.5171 2.1604 0.0000 H 0 0 0
- -0.6963 3.1173 0.0000 H 0 0 0
- -2.6264 1.6786 0.0000 H 0 0 0
- -3.1298 -1.9310 0.0000 H 0 0 0
- -1.9009 -1.6347 0.0000 H 0 0 0
- -4.6195 -0.6657 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-72-14-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.2407 -0.5533 -0.0681 C 0 0 0
- -0.0842 -1.7070 -0.2031 S 0 0 0
- 2.1645 -0.6801 0.9527 C 0 0 0
- 1.3575 0.4739 -0.9870 C 0 0 0
- -1.2806 -1.2097 0.8282 N 0 0 0
- -0.6094 -1.5402 -1.5129 O 0 0 0
- 0.4087 -2.9257 0.3364 O 0 0 0
- 3.2044 0.2225 1.0614 C 0 0 0
- 2.3945 1.3797 -0.8842 C 0 0 0
- -1.9686 -0.0333 0.5756 C 0 0 0
- 3.3213 1.2585 0.1438 C 0 0 0
- -2.8617 0.5824 1.3267 N 0 0 0
- -1.8707 1.0126 -0.8071 S 0 0 0
- 4.3713 2.1734 0.2510 N 0 0 0
- -3.4271 1.7077 0.9314 C 0 0 0
- -3.0686 2.2240 -0.2683 C 0 0 0
- 2.4339 -1.5854 0.0000 H 0 0 0
- 0.5210 0.9126 0.0000 H 0 0 0
- -1.9018 -1.9212 0.0000 H 0 0 0
- 4.0404 -0.2171 0.0000 H 0 0 0
- 2.1208 2.2837 0.0000 H 0 0 0
- 5.2647 1.8669 0.0000 H 0 0 0
- 4.1900 3.1004 0.0000 H 0 0 0
- -4.3693 1.7744 0.0000 H 0 0 0
- -3.1501 3.1650 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 9 11 1 0
- 15 16 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 8 20 1 0
- 9 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7203-89-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.3571 -0.3271 0.0040 C 0 0 0
- 1.2681 -1.3843 0.0030 C 0 0 0
- 0.8236 0.9878 0.0022 C 0 0 0
- -0.9915 -0.5797 0.0010 N 0 0 0
- 2.6227 -1.1236 0.0003 C 0 0 0
- 2.1811 1.2351 -0.0005 C 0 0 0
- -1.8312 0.3996 0.0019 N 0 0 0
- 3.0789 0.1828 -0.0015 C 0 0 0
- -3.2082 0.1417 -0.0011 N 0 0 0
- 4.5601 0.4602 -0.0044 C 0 0 0
- -3.6946 -1.2402 -0.0053 C 0 0 0
- -4.1618 1.2539 -0.0001 C 0 0 0
- 0.9258 -2.3686 0.0000 H 0 0 0
- 0.1483 1.7815 0.0000 H 0 0 0
- 3.3039 -1.9122 0.0000 H 0 0 0
- 2.5307 2.2168 0.0000 H 0 0 0
- 4.7519 -0.5641 0.0000 H 0 0 0
- 5.5844 0.6520 0.0000 H 0 0 0
- 4.3683 1.4845 0.0000 H 0 0 0
- -4.6776 -0.8942 0.0000 H 0 0 0
- -4.0406 -2.2232 0.0000 H 0 0 0
- -2.7116 -1.5862 0.0000 H 0 0 0
- -3.3707 1.9322 0.0000 H 0 0 0
- -4.8401 2.0450 0.0000 H 0 0 0
- -4.9529 0.5756 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112022-09-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -0.9578 0.5247 0.0410 C 0 0 0
- -1.9501 1.4679 -0.0485 N 0 0 0
- 0.4399 0.9747 0.0984 C 0 0 0
- -1.2127 -0.7697 0.0830 N 0 0 0
- -3.2496 1.0911 -0.1035 C 0 0 0
- -1.6436 2.7956 -0.0840 C 0 0 0
- 0.6998 2.3389 0.0595 C 0 0 0
- 1.5400 0.0018 0.1944 C 0 0 0
- -2.4660 -1.2490 0.0400 C 0 0 0
- -3.5488 -0.3428 -0.0634 C 0 0 0
- -4.1405 1.9170 -0.1831 O 0 0 0
- -0.3672 3.2357 -0.0328 C 0 0 0
- 2.8185 0.4197 0.1094 N 0 0 0
- 1.2953 -1.1795 0.3504 O 0 0 0
- -2.7292 -2.6237 0.0854 C 0 0 0
- -4.8571 -0.8257 -0.1142 C 0 0 0
- 3.9136 -0.5487 0.2049 C 0 0 0
- -4.0197 -3.0663 0.0394 C 0 0 0
- -5.0796 -2.1735 -0.0730 C 0 0 0
- 5.2523 0.1812 0.0788 C 0 0 0
- 6.3504 -0.7899 0.1747 N 0 0 0
- 6.2574 -1.6508 -1.0120 C 0 0 0
- 7.5999 -0.0282 0.0467 C 0 0 0
- -2.4161 3.4909 0.0000 H 0 0 0
- 1.6790 2.6873 0.0000 H 0 0 0
- -0.1776 4.2576 0.0000 H 0 0 0
- 3.0291 1.4375 0.0000 H 0 0 0
- -1.9442 -3.3050 0.0000 H 0 0 0
- -5.6584 -0.1638 0.0000 H 0 0 0
- 3.1397 -1.2425 0.0000 H 0 0 0
- 4.5133 -1.3976 0.0000 H 0 0 0
- -4.2107 -4.0880 0.0000 H 0 0 0
- -6.0547 -2.5334 0.0000 H 0 0 0
- 6.0262 0.8750 0.0000 H 0 0 0
- 4.6526 1.0301 0.0000 H 0 0 0
- 5.2241 -1.5392 0.0000 H 0 0 0
- 6.1458 -2.6841 0.0000 H 0 0 0
- 7.2907 -1.7624 0.0000 H 0 0 0
- 8.1409 -0.9157 0.0000 H 0 0 0
- 8.4874 0.5128 0.0000 H 0 0 0
- 7.0589 0.8593 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 7 12 1 0
- 9 10 2 0
- 18 19 1 0
- 6 24 1 0
- 7 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51410-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.4939 -0.1134 0.5108 C 0 0 0
- -1.9554 -0.3299 0.8077 C 0 0 0
- 0.0136 1.1712 0.4424 C 0 0 0
- 0.3384 -1.1993 0.3130 C 0 0 0
- -2.7428 -0.3628 -0.5037 C 0 0 0
- 1.3528 1.3724 0.1709 C 0 0 0
- 1.6787 -1.0035 0.0411 C 0 0 0
- -4.2266 -0.5826 -0.2023 C 0 0 0
- -3.6924 0.7051 -0.5160 O 0 0 0
- 2.1892 0.2842 -0.0333 C 0 0 0
- 3.5072 0.4795 -0.3006 O 0 0 0
- 4.0927 -0.8144 -0.4587 C 0 0 0
- -2.4029 -1.2641 0.0000 H 0 0 0
- -1.3405 -1.1635 0.0000 H 0 0 0
- -0.6312 1.9820 0.0000 H 0 0 0
- -0.0515 -2.1590 0.0000 H 0 0 0
- -2.6451 -1.3941 0.0000 H 0 0 0
- 1.7401 2.3332 0.0000 H 0 0 0
- 2.3213 -1.8160 0.0000 H 0 0 0
- -5.2391 -0.3635 0.0000 H 0 0 0
- -4.2608 -1.6179 0.0000 H 0 0 0
- 3.1489 -1.2415 0.0000 H 0 0 0
- 4.5198 -1.7582 0.0000 H 0 0 0
- 5.0365 -0.3873 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 10 11 1 0
- 11 12 1 0
- 7 10 2 0
- 8 9 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1769-41-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.2372 0.3826 -0.2795 C 0 0 0
- -0.0855 0.7751 -0.5049 N 0 0 0
- 1.6403 -0.9116 -0.5821 C 0 0 0
- 2.1528 1.2879 0.2422 C 0 0 0
- -1.0989 0.0721 0.0385 C 0 0 0
- 2.9478 -1.2962 -0.3581 C 0 0 0
- 3.4584 0.8969 0.4636 C 0 0 0
- -2.4950 0.4090 -0.2996 C 0 0 0
- -0.8627 -0.8396 0.8073 O 0 0 0
- 3.8551 -0.3944 0.1666 C 0 0 0
- -3.4672 -0.2653 0.2217 N 0 0 0
- -4.8070 0.0581 -0.1028 O 0 0 0
- -0.2462 1.7772 0.0000 H 0 0 0
- 0.9284 -1.6349 0.0000 H 0 0 0
- 1.9072 2.2726 0.0000 H 0 0 0
- 3.1971 -2.2800 0.0000 H 0 0 0
- 4.1735 1.6171 0.0000 H 0 0 0
- -2.6815 1.4066 0.0000 H 0 0 0
- 4.8396 -0.6408 0.0000 H 0 0 0
- -5.7936 0.2962 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 11 12 1 0
- 7 10 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142713-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -3.1110 -0.3123 -0.7434 C 0 0 0
- -3.6594 0.3574 0.3468 C 0 0 0
- -1.9160 -0.9984 -0.6012 C 0 0 0
- -3.7498 -0.2977 -1.9438 O 0 0 0
- -3.0078 0.3348 1.5690 C 0 0 0
- -4.8321 1.0327 0.2121 O 0 0 0
- -1.2707 -1.0170 0.6216 C 0 0 0
- -2.9489 -1.0623 -2.8472 C 0 0 0
- -1.8152 -0.3521 1.7040 C 0 0 0
- -5.1279 1.6050 1.4877 C 0 0 0
- 0.0293 -1.7639 0.7744 C 0 0 0
- 1.1468 -0.8657 0.4737 N 0 0 0
- 2.4140 -1.3191 0.5456 C 0 0 0
- 3.5636 -0.3951 0.2363 C 0 0 0
- 2.6291 -2.4707 0.8592 O 0 0 0
- 4.3656 -0.9550 -0.9402 C 0 0 0
- 2.8675 1.3829 -0.2321 Br 0 0 0
- -2.1546 -1.8440 0.0000 H 0 0 0
- -2.7662 1.1796 0.0000 H 0 0 0
- -3.5556 -1.6978 0.0000 H 0 0 0
- -2.3134 -1.6690 0.0000 H 0 0 0
- -2.3422 -0.4268 0.0000 H 0 0 0
- -1.2468 0.3179 0.0000 H 0 0 0
- -4.3474 2.0084 0.0000 H 0 0 0
- -5.5313 2.3855 0.0000 H 0 0 0
- -5.9084 1.2016 0.0000 H 0 0 0
- -0.4993 -2.4657 0.0000 H 0 0 0
- 0.6603 -2.3753 0.0000 H 0 0 0
- 1.0010 0.0008 0.0000 H 0 0 0
- 4.2538 0.1486 0.0000 H 0 0 0
- 3.8626 -1.6754 0.0000 H 0 0 0
- 5.0860 -1.4580 0.0000 H 0 0 0
- 4.8686 -0.2346 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 1 0
- 7 9 2 0
- 3 18 1 0
- 5 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13014-24-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 2.0046 -0.0007 -0.0004 C 0 0 0
- 0.5230 0.2749 -0.0011 C 0 0 0
- 2.9062 1.5607 -0.0022 Cl 0 0 0
- 2.4397 -0.9443 1.4731 Cl 0 0 0
- 2.4403 -0.9481 -1.4712 Cl 0 0 0
- -0.3749 -0.7758 0.0001 C 0 0 0
- 0.0627 1.5787 0.0029 C 0 0 0
- -1.7351 -0.5233 0.0000 C 0 0 0
- -1.2958 1.8327 0.0028 C 0 0 0
- -2.1960 0.7822 -0.0013 C 0 0 0
- -2.8634 -1.8426 0.0009 Cl 0 0 0
- -3.9025 1.1008 -0.0015 Cl 0 0 0
- -0.0288 -1.7540 0.0000 H 0 0 0
- 0.7376 2.3668 0.0000 H 0 0 0
- -1.6406 2.8113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 9 10 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1107-26-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 71 71 1 V2000
- 8.0082 0.0222 0.1254 C 0 0 0
- 8.6626 -0.3528 -1.1724 C 0 0 0
- 8.5276 -0.2433 1.3128 C 0 0 0
- 6.7669 0.7041 0.0759 C 0 0 0
- 10.1415 -0.6713 -0.9437 C 0 0 0
- 7.9634 -1.5821 -1.7563 C 0 0 0
- 8.5409 0.8119 -2.1569 C 0 0 0
- 9.8402 -0.9443 1.5096 C 0 0 0
- 7.7583 0.1825 2.5367 C 0 0 0
- 5.6033 0.0012 0.1057 C 0 0 0
- 10.2523 -1.6614 0.2222 C 0 0 0
- 4.3727 0.6773 0.0566 C 0 0 0
- 3.2037 -0.0289 0.0864 C 0 0 0
- 4.3422 2.1815 -0.0291 C 0 0 0
- 1.9770 0.6449 0.0375 C 0 0 0
- 0.7972 -0.0678 0.0677 C 0 0 0
- -0.4273 0.6049 0.0188 C 0 0 0
- -1.6087 -0.1087 0.0490 C 0 0 0
- -0.4578 2.1092 -0.0669 C 0 0 0
- -2.8320 0.5633 0.0002 C 0 0 0
- -4.0143 -0.1509 0.0304 C 0 0 0
- -5.2369 0.5208 -0.0184 C 0 0 0
- -6.4197 -0.1938 0.0119 C 0 0 0
- -7.6419 0.4776 -0.0369 C 0 0 0
- -6.3893 -1.6981 0.0975 C 0 0 0
- -8.8251 -0.2373 -0.0067 C 0 0 0
- -10.0469 0.4340 -0.0554 C 0 0 0
- -11.2304 -0.2810 -0.0251 C 0 0 0
- -12.4520 0.3901 -0.0739 C 0 0 0
- -11.1999 -1.7853 0.0605 C 0 0 0
- -13.4932 -0.2390 -0.0473 O 0 0 0
- 6.7454 1.7492 0.0000 H 0 0 0
- 11.1868 -0.6675 0.0000 H 0 0 0
- 10.2503 0.3684 0.0000 H 0 0 0
- 7.0547 -1.0653 0.0000 H 0 0 0
- 7.4466 -2.4908 0.0000 H 0 0 0
- 8.8721 -2.0989 0.0000 H 0 0 0
- 9.5806 0.9205 0.0000 H 0 0 0
- 8.4323 1.8516 0.0000 H 0 0 0
- 7.5012 0.7033 0.0000 H 0 0 0
- 10.8679 -0.7528 0.0000 H 0 0 0
- 9.9997 0.0888 0.0000 H 0 0 0
- 8.2645 1.0971 0.0000 H 0 0 0
- 6.8437 0.6887 0.0000 H 0 0 0
- 7.2521 -0.7321 0.0000 H 0 0 0
- 5.6247 -1.0439 0.0000 H 0 0 0
- 9.6095 -2.4857 0.0000 H 0 0 0
- 11.2582 -1.9457 0.0000 H 0 0 0
- 3.2252 -1.0740 0.0000 H 0 0 0
- 5.3873 2.2027 0.0000 H 0 0 0
- 4.3210 3.2266 0.0000 H 0 0 0
- 3.2971 2.1603 0.0000 H 0 0 0
- 1.9555 1.6900 0.0000 H 0 0 0
- 0.8187 -1.1129 0.0000 H 0 0 0
- -1.5872 -1.1538 0.0000 H 0 0 0
- 0.5873 2.1304 0.0000 H 0 0 0
- -0.4790 3.1543 0.0000 H 0 0 0
- -1.5029 2.0880 0.0000 H 0 0 0
- -2.8535 1.6084 0.0000 H 0 0 0
- -3.9929 -1.1960 0.0000 H 0 0 0
- -5.2584 1.5659 0.0000 H 0 0 0
- -7.6634 1.5227 0.0000 H 0 0 0
- -7.4344 -1.7192 0.0000 H 0 0 0
- -6.3682 -2.7432 0.0000 H 0 0 0
- -5.3442 -1.6770 0.0000 H 0 0 0
- -8.8036 -1.2824 0.0000 H 0 0 0
- -10.0684 1.4791 0.0000 H 0 0 0
- -12.4735 1.4352 0.0000 H 0 0 0
- -12.2450 -1.8065 0.0000 H 0 0 0
- -11.1787 -2.8304 0.0000 H 0 0 0
- -10.1548 -1.7641 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 20 21 2 0
- 21 22 1 0
- 22 23 2 0
- 23 24 1 0
- 23 25 1 0
- 24 26 2 0
- 26 27 1 0
- 27 28 2 0
- 28 29 1 0
- 28 30 1 0
- 29 31 2 0
- 8 11 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 6 35 1 0
- 6 36 1 0
- 6 37 1 0
- 7 38 1 0
- 7 39 1 0
- 7 40 1 0
- 8 41 1 0
- 8 42 1 0
- 9 43 1 0
- 9 44 1 0
- 9 45 1 0
- 10 46 1 0
- 11 47 1 0
- 11 48 1 0
- 13 49 1 0
- 14 50 1 0
- 14 51 1 0
- 14 52 1 0
- 15 53 1 0
- 16 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 19 58 1 0
- 20 59 1 0
- 21 60 1 0
- 22 61 1 0
- 24 62 1 0
- 25 63 1 0
- 25 64 1 0
- 25 65 1 0
- 26 66 1 0
- 27 67 1 0
- 29 68 1 0
- 30 69 1 0
- 30 70 1 0
- 30 71 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1594-56-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.0206 0.8592 0.0030 C 0 0 0
- -0.7928 -0.2667 0.0013 C 0 0 0
- 1.3943 0.7167 0.0027 C 0 0 0
- -0.5843 2.2102 -0.0009 N 0 3 0
- -0.2210 -1.5330 -0.0009 C 0 0 0
- -2.5459 -0.0896 0.0023 S 0 0 0
- 1.9602 -0.5450 0.0005 C 0 0 0
- 0.1296 3.1971 0.0007 O 0 0 0
- -1.7959 2.3350 -0.0056 O 0 5 0
- 1.1531 -1.6683 -0.0012 C 0 0 0
- -3.6039 -1.5582 0.0000 C 0 0 0
- 3.4329 -0.6938 -0.0003 N 0 3 0
- -4.2680 -2.4799 -0.0015 N 0 0 0
- 3.9328 -1.8045 -0.0022 O 0 0 0
- 4.1449 0.2944 0.0008 O 0 5 0
- 2.0022 1.5570 0.0000 H 0 0 0
- -0.8256 -2.3756 0.0000 H 0 0 0
- 1.5805 -2.6132 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 11 13 3 0
- 12 14 2 0
- 12 15 1 0
- 7 10 1 0
- 3 16 1 0
- 5 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-499-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.9496 -0.1166 -0.0025 C 0 0 0
- -0.0431 -1.0770 -0.0004 C 0 0 0
- 0.6152 1.2252 -0.0038 C 0 0 0
- 2.3984 -0.5315 0.0028 C 0 0 0
- -1.3768 -0.6944 0.0005 C 0 0 0
- -0.7129 1.6090 -0.0029 C 0 0 0
- 3.0901 0.0157 -1.2474 C 0 0 0
- 3.0843 0.0274 1.2510 C 0 0 0
- -1.7097 0.6522 -0.0008 C 0 0 0
- -2.3555 -1.6374 0.0021 O 0 0 0
- -3.1572 1.0713 0.0007 C 0 0 0
- 0.2081 -2.0829 0.0000 H 0 0 0
- 1.3618 1.9446 0.0000 H 0 0 0
- 2.5995 -1.5486 0.0000 H 0 0 0
- -0.9612 2.6157 0.0000 H 0 0 0
- 3.7334 -0.7975 0.0000 H 0 0 0
- 3.9033 0.6590 0.0000 H 0 0 0
- 2.4468 0.8289 0.0000 H 0 0 0
- 3.7393 -0.7764 0.0000 H 0 0 0
- 3.8881 0.6824 0.0000 H 0 0 0
- 2.4293 0.8312 0.0000 H 0 0 0
- -3.1021 -2.3568 0.0000 H 0 0 0
- -2.8688 2.0672 0.0000 H 0 0 0
- -4.1531 1.3597 0.0000 H 0 0 0
- -3.4456 0.0754 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-553-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.7420 -0.0003 -0.0020 C 0 0 0
- -0.7420 0.0001 -0.0019 C 0 0 0
- 1.4599 1.1271 -0.4094 C 0 0 0
- 1.4596 -1.1263 0.4109 C 0 0 0
- -1.4600 -1.1273 -0.4091 C 0 0 0
- -1.4595 1.1262 0.4111 C 0 0 0
- 2.8395 1.0843 -0.3936 C 0 0 0
- 2.8388 -1.0839 0.3956 C 0 0 0
- -2.8396 -1.0842 -0.3936 C 0 0 0
- -2.8387 1.0840 0.3956 C 0 0 0
- 3.4786 -0.0007 -0.0014 N 0 0 0
- -3.4786 0.0009 -0.0016 N 0 0 0
- 0.9913 2.0133 0.0000 H 0 0 0
- 0.9911 -2.0125 0.0000 H 0 0 0
- -0.9916 -2.0135 0.0000 H 0 0 0
- -0.9909 2.0123 0.0000 H 0 0 0
- 3.3504 1.9468 0.0000 H 0 0 0
- 3.3490 -1.9468 0.0000 H 0 0 0
- -3.3506 -1.9466 0.0000 H 0 0 0
- -3.3488 1.9469 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 8 11 1 0
- 10 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37364-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-162167 1 V2000
- 4.4999 0.3389 -0.3961 C 0 0 1
- 3.0474 0.8082 -0.5003 C 0 0 2
- 4.5294 -1.0385 -0.0167 O 0 0 0
- 5.1790 0.5069 -1.7309 C 0 0 0
- 3.0173 2.2513 -0.7510 N 0 0 0
- 2.3285 0.5073 0.7896 C 0 0 0
- 5.6523 -1.2038 0.8515 C 0 0 2
- 6.3133 1.1956 -1.9605 C 0 0 0
- 4.7629 -0.0081 -2.8973 N 0 0 0
- 2.0020 2.7922 -1.4531 C 0 0 0
- 1.5621 -0.5965 0.8923 N 0 0 0
- 2.4397 1.2585 1.7352 O 0 0 0
- 5.9308 -2.6959 1.0468 C 0 0 1
- 5.3730 -0.5955 2.1110 O 0 0 0
- 6.5756 1.0913 -3.2999 N 0 0 0
- 5.5936 0.3393 -3.8419 C 0 0 0
- 1.9714 4.2544 -1.7071 C 0 0 0
- 1.1118 2.0832 -1.8781 O 0 0 0
- 0.8192 -0.8602 2.1271 C 0 0 1
- 6.1872 -3.3025 -0.2214 O 0 0 0
- 7.1585 -2.8608 1.9497 C 0 0 2
- 6.5750 -0.6209 2.8785 C 0 0 2
- 1.5350 5.0955 -0.7690 N 0 0 0
- 2.4028 4.7685 -2.9249 C 0 0 0
- -0.5633 -1.4170 1.7815 C 0 0 2
- 1.5829 -1.8806 2.9736 C 0 0 0
- 5.3953 -4.4906 -0.2786 C 0 0 2
- 6.9290 -2.0653 3.2397 C 0 0 1
- 8.3147 -2.3562 1.2783 O 0 0 0
- 6.3791 0.1918 4.1599 C 0 0 0
- 1.5043 6.3925 -0.9851 C 0 0 0
- 2.3530 6.1539 -3.1123 C 0 0 0
- 2.9099 3.8579 -4.0134 C 0 0 0
- -1.3992 -1.5347 3.0576 C 0 0 2
- -0.4215 -2.7074 1.1843 O 0 0 0
- 6.2755 -5.6708 -0.6963 C 0 0 2
- 4.3421 -4.3149 -1.2243 O 0 0 0
- 5.8520 -2.6502 3.9746 O 0 0 0
- 6.0578 1.5428 3.8227 O 0 0 0
- 1.0027 7.3032 0.1059 C 0 0 1
- 1.8986 6.9204 -2.1274 N 0 0 0
- 2.7710 6.7175 -4.3064 N 0 0 0
- -2.5667 -2.4550 2.8102 C 0 0 0
- -1.9162 -0.1514 3.4579 C 0 0 0
- 6.8961 -5.3709 -2.0654 C 0 0 2
- 5.4773 -6.8529 -0.7837 O 0 0 0
- 4.9305 -3.8849 -2.4504 C 0 0 1
- 2.0641 8.2461 0.4832 N 0 0 0
- -0.2146 8.0808 -0.3985 C 0 0 0
- -3.4454 -2.7097 3.7998 N 0 0 0
- -2.7154 -2.9663 1.7205 O 0 0 0
- 5.7727 -5.0155 -3.0459 C 0 0 1
- 7.6027 -6.5456 -2.5443 O 0 0 0
- 3.8273 -3.4968 -3.4370 C 0 0 0
- 2.6393 7.7526 1.7416 C 0 0 0
- -1.3452 7.1224 -0.6711 C 0 0 0
- -4.6321 -3.5265 3.5334 C 0 0 2
- 6.3401 -4.5850 -4.2847 O 0 0 0
- 8.6769 -6.4056 -3.3438 C 0 0 0
- 3.0467 -2.4348 -2.8850 O 0 0 0
- 3.7577 8.6933 2.1945 C 0 0 1
- -2.5544 7.5930 -1.0356 N 0 0 0
- -1.1670 5.9277 -0.5624 O 0 0 0
- -5.7340 -2.6508 2.9947 C 0 0 0
- -5.0965 -4.1900 4.8315 C 0 0 1
- 9.3328 -7.4960 -3.7882 N 0 0 0
- 9.0551 -5.2964 -3.6646 O 0 0 0
- 4.3479 8.1871 3.4855 C 0 0 0
- 4.8036 8.7425 1.1641 N 0 0 0
- -6.9278 -3.1892 2.6763 N 0 0 0
- -5.5465 -1.4616 2.8479 O 0 0 0
- -4.1390 -5.3270 5.1939 C 0 0 0
- -5.1072 -3.2228 5.8834 O 0 0 0
- 3.8366 8.5923 4.6648 N 0 0 0
- 5.2829 7.4149 3.4631 O 0 0 0
- -7.9990 -2.3379 2.1526 C 0 0 0
- -9.2383 -3.1909 1.8744 C 0 0 0
- -10.3402 -2.3153 1.3358 C 0 0 0
- -10.6091 -2.0086 0.0911 N 0 0 0
- -11.5771 -1.4653 2.2085 S 0 0 0
- -11.6245 -1.2169 -0.2230 C 0 0 0
- -12.3932 -0.7259 0.8014 C 0 0 0
- -11.9200 -0.8761 -1.6302 C 0 0 0
- -12.8799 -0.1116 -2.1189 N 0 0 0
- -11.0683 -1.3836 -3.1153 S 0 0 0
- -12.9760 0.0717 -3.4293 C 0 0 0
- -12.0678 -0.5395 -4.2574 C 0 0 0
- -14.0401 0.9206 -3.9872 C 0 0 0
- -14.9259 1.5185 -3.1654 O 0 0 0
- -14.1206 1.0830 -5.1892 O 0 0 0
- 4.5315 1.2400 0.0000 H 0 0 0
- 3.0852 -0.0927 0.0000 H 0 0 0
- 3.7855 2.7234 0.0000 H 0 0 0
- 6.5117 -0.9309 0.0000 H 0 0 0
- 6.2380 2.0942 0.0000 H 0 0 0
- 2.1096 -1.3130 0.0000 H 0 0 0
- 5.0673 -2.9557 0.0000 H 0 0 0
- 7.4688 1.2149 0.0000 H 0 0 0
- 6.0454 -0.4410 0.0000 H 0 0 0
- 0.4999 -0.0169 0.0000 H 0 0 0
- 7.2834 -3.7538 0.0000 H 0 0 0
- 7.4512 -0.4079 0.0000 H 0 0 0
- -0.7963 -0.5459 0.0000 H 0 0 0
- 0.8610 -2.4209 0.0000 H 0 0 0
- 2.1232 -2.6025 0.0000 H 0 0 0
- 2.3048 -1.3403 0.0000 H 0 0 0
- 4.9258 -5.2604 0.0000 H 0 0 0
- 7.8003 -1.8330 0.0000 H 0 0 0
- 9.1411 -1.9955 0.0000 H 0 0 0
- 5.5148 0.4489 0.0000 H 0 0 0
- 5.7250 -0.4288 0.0000 H 0 0 0
- 2.1221 3.4192 0.0000 H 0 0 0
- 3.3486 3.0701 0.0000 H 0 0 0
- 3.6977 4.2966 0.0000 H 0 0 0
- -1.0450 -2.3639 0.0000 H 0 0 0
- -0.3230 -3.6037 0.0000 H 0 0 0
- 6.8657 -6.3525 0.0000 H 0 0 0
- 5.0596 -3.0805 0.0000 H 0 0 0
- 5.8492 2.4200 0.0000 H 0 0 0
- 0.3447 6.6867 0.0000 H 0 0 0
- 3.6668 6.6144 0.0000 H 0 0 0
- 2.4124 7.5448 0.0000 H 0 0 0
- -1.0716 0.1643 0.0000 H 0 0 0
- -2.2319 0.6932 0.0000 H 0 0 0
- -2.7608 -0.4671 0.0000 H 0 0 0
- 7.4545 -4.6629 0.0000 H 0 0 0
- 4.9727 -7.6002 0.0000 H 0 0 0
- 5.4649 -3.1587 0.0000 H 0 0 0
- 2.0563 9.1478 0.0000 H 0 0 0
- 0.3441 8.7886 0.0000 H 0 0 0
- -0.8632 8.7072 0.0000 H 0 0 0
- -3.8315 -1.8948 0.0000 H 0 0 0
- 5.2499 -5.7502 0.0000 H 0 0 0
- 2.9685 -3.7717 0.0000 H 0 0 0
- 3.8145 -4.3984 0.0000 H 0 0 0
- 2.0160 7.1010 0.0000 H 0 0 0
- 3.2562 7.0950 0.0000 H 0 0 0
- -3.9970 -4.1666 0.0000 H 0 0 0
- 7.0584 -4.0400 0.0000 H 0 0 0
- 2.5127 -1.7083 0.0000 H 0 0 0
- 3.4290 9.5329 0.0000 H 0 0 0
- -2.6913 8.4842 0.0000 H 0 0 0
- -3.2578 7.0288 0.0000 H 0 0 0
- -5.9418 -4.5038 0.0000 H 0 0 0
- 8.8960 -8.2849 0.0000 H 0 0 0
- 10.2344 -7.4798 0.0000 H 0 0 0
- 5.2906 7.9837 0.0000 H 0 0 0
- 5.2173 9.5437 0.0000 H 0 0 0
- -7.0392 -4.0840 0.0000 H 0 0 0
- -4.8287 -5.9078 0.0000 H 0 0 0
- -3.5582 -6.0167 0.0000 H 0 0 0
- -3.4493 -4.7462 0.0000 H 0 0 0
- -5.1172 -2.3212 0.0000 H 0 0 0
- 3.9683 9.4843 0.0000 H 0 0 0
- 2.9982 8.2603 0.0000 H 0 0 0
- -7.3711 -1.6908 0.0000 H 0 0 0
- -8.5810 -1.6492 0.0000 H 0 0 0
- -9.8662 -3.8381 0.0000 H 0 0 0
- -8.6563 -3.8796 0.0000 H 0 0 0
- -13.1098 -0.1786 0.0000 H 0 0 0
- -11.5244 0.1801 0.0000 H 0 0 0
- -15.6733 2.0230 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 2 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 17 23 1 0
- 17 24 2 0
- 19 25 1 0
- 19 26 1 0
- 27 20 1 0
- 21 28 1 0
- 21 29 1 0
- 22 30 1 0
- 23 31 2 0
- 24 32 1 0
- 24 33 1 0
- 25 34 1 0
- 25 35 1 0
- 27 36 1 0
- 27 37 1 0
- 28 38 1 0
- 30 39 1 0
- 31 40 1 0
- 31 41 1 0
- 32 42 1 0
- 34 43 1 0
- 34 44 1 0
- 36 45 1 0
- 36 46 1 0
- 37 47 1 0
- 40 48 1 0
- 40 49 1 0
- 43 50 1 0
- 43 51 2 0
- 45 52 1 0
- 45 53 1 0
- 47 54 1 0
- 48 55 1 0
- 49 56 1 0
- 57 50 1 0
- 52 58 1 0
- 53 59 1 0
- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 56 63 2 0
- 57 64 1 0
- 57 65 1 0
- 59 66 1 0
- 59 67 2 0
- 61 68 1 0
- 61 69 1 0
- 64 70 1 0
- 64 71 2 0
- 65 72 1 0
- 65 73 1 0
- 68 74 1 0
- 68 75 2 0
- 70 76 1 0
- 76 77 1 0
- 77 78 1 0
- 78 79 2 0
- 78 80 1 0
- 79 81 1 0
- 80 82 1 0
- 81 83 1 0
- 83 84 2 0
- 83 85 1 0
- 84 86 1 0
- 85 87 1 0
- 86 88 1 0
- 88 89 1 0
- 88 90 2 0
- 15 16 1 0
- 22 28 1 0
- 32 41 2 0
- 47 52 1 0
- 81 82 2 0
- 86 87 2 0
- 1 91 1 0
- 2 92 1 0
- 5 93 1 0
- 7 94 1 0
- 8 95 1 0
- 11 96 1 0
- 13 97 1 0
- 15 98 1 0
- 16 99 1 0
- 19100 1 0
- 21101 1 0
- 22102 1 0
- 25103 1 0
- 26104 1 0
- 26105 1 0
- 26106 1 0
- 27107 1 0
- 28108 1 0
- 29109 1 0
- 30110 1 0
- 30111 1 0
- 33112 1 0
- 33113 1 0
- 33114 1 0
- 34115 1 0
- 35116 1 0
- 36117 1 0
- 38118 1 0
- 39119 1 0
- 40120 1 0
- 42121 1 0
- 42122 1 0
- 44123 1 0
- 44124 1 0
- 44125 1 0
- 45126 1 0
- 46127 1 0
- 47128 1 0
- 48129 1 0
- 49130 1 0
- 49131 1 0
- 50132 1 0
- 52133 1 0
- 54134 1 0
- 54135 1 0
- 55136 1 0
- 55137 1 0
- 57138 1 0
- 58139 1 0
- 60140 1 0
- 61141 1 0
- 62142 1 0
- 62143 1 0
- 65144 1 0
- 66145 1 0
- 66146 1 0
- 69147 1 0
- 69148 1 0
- 70149 1 0
- 72150 1 0
- 72151 1 0
- 72152 1 0
- 73153 1 0
- 74154 1 0
- 74155 1 0
- 76156 1 0
- 76157 1 0
- 77158 1 0
- 77159 1 0
- 82160 1 0
- 87161 1 0
- 89162 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-13-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 1.9038 0.0175 -0.0014 C 0 0 0
- 0.5039 0.5756 -0.0002 C 0 0 0
- 3.0870 0.9508 -0.0007 C 0 0 0
- 2.0774 -1.1775 0.0020 O 0 0 0
- -0.5039 -0.5756 -0.0013 C 0 0 0
- -1.9038 -0.0175 -0.0001 C 0 0 0
- -3.0870 -0.9508 -0.0009 C 0 0 0
- -2.0774 1.1775 0.0015 O 0 0 0
- 1.0384 1.5715 0.0000 H 0 0 0
- -0.4252 1.2192 0.0000 H 0 0 0
- 3.7870 0.0634 0.0000 H 0 0 0
- 3.9744 1.6508 0.0000 H 0 0 0
- 2.3870 1.8382 0.0000 H 0 0 0
- -1.0384 -1.5715 0.0000 H 0 0 0
- 0.4252 -1.2192 0.0000 H 0 0 0
- -3.7870 -0.0634 0.0000 H 0 0 0
- -3.9744 -1.6508 0.0000 H 0 0 0
- -2.3870 -1.8382 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-16-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.9524 -0.0261 0.0037 C 0 0 0
- -0.3753 -1.2830 0.0033 C 0 0 0
- -0.1556 1.1039 0.0024 C 0 0 0
- -2.4262 0.1097 -0.0006 N 0 3 0
- 0.9994 -1.4133 0.0016 C 0 0 0
- 1.2202 0.9807 0.0007 C 0 0 0
- -2.9358 1.2159 -0.0002 O 0 0 0
- -3.1294 -0.8848 -0.0045 O 0 5 0
- 1.8030 -0.2800 0.0003 C 0 0 0
- 3.1938 -0.4081 -0.0015 N 0 0 0
- 3.9824 0.7072 -0.0028 N 0 0 0
- -0.9757 -2.1285 0.0000 H 0 0 0
- -0.5913 2.0449 0.0000 H 0 0 0
- 1.4315 -2.3560 0.0000 H 0 0 0
- 1.8173 1.8286 0.0000 H 0 0 0
- 3.6277 -1.3499 0.0000 H 0 0 0
- 5.0150 0.6121 0.0000 H 0 0 0
- 3.5485 1.6490 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.4551 -0.2326 0.2997 C 0 0 0
- -1.2037 -1.3498 -0.1112 C 0 0 0
- 0.8955 -0.7285 0.5751 C 0 0 0
- -1.0599 1.0242 0.3735 C 0 0 0
- -0.3574 -2.4382 -0.0828 N 0 0 0
- -2.5444 -1.1910 -0.4460 C 0 0 0
- 0.8876 -2.0480 0.3283 C 0 0 0
- 2.0712 0.0881 1.0464 C 0 0 0
- -2.3928 1.1602 0.0414 C 0 0 0
- -3.1292 0.0534 -0.3739 C 0 0 0
- 2.8302 0.6105 -0.1461 C 0 0 0
- -2.9871 2.3813 0.1114 O 0 0 0
- 3.9231 1.3687 0.0336 O 0 0 0
- 2.4550 0.3468 -1.2639 O 0 0 0
- -0.4805 1.8498 0.0000 H 0 0 0
- -0.6584 -3.4008 0.0000 H 0 0 0
- -3.1343 -2.0091 0.0000 H 0 0 0
- 1.6987 -2.6475 0.0000 H 0 0 0
- 1.9900 1.0934 0.0000 H 0 0 0
- 1.1593 0.5191 0.0000 H 0 0 0
- -4.1351 0.1279 0.0000 H 0 0 0
- -3.4285 3.2882 0.0000 H 0 0 0
- 4.7518 1.9436 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 2 0
- 5 7 1 0
- 9 10 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125974-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.2346 -0.3833 0.2093 C 0 0 0
- -1.0198 -1.1931 0.4403 C 0 0 0
- -0.1512 0.8636 -0.0494 C 0 0 0
- 1.6527 -0.8898 0.2672 C 0 0 0
- -2.1307 -0.2664 0.2826 O 0 0 0
- -1.1124 -2.2204 -0.5487 O 0 0 0
- -1.6138 0.9427 -0.0056 C 0 0 0
- 2.7896 0.4655 -0.0816 Cl 0 0 0
- -2.2639 1.9510 -0.1999 O 0 0 0
- -0.0913 -1.7544 0.0000 H 0 0 0
- 0.5161 1.7192 0.0000 H 0 0 0
- 1.1697 -1.8614 0.0000 H 0 0 0
- 2.5605 -1.4841 0.0000 H 0 0 0
- -1.2098 -3.3010 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 7 9 2 0
- 5 7 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6197-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 55 1 V2000
- 2.0886 0.0145 0.0362 C 0 0 0
- 2.1828 1.4843 -0.0379 C 0 0 0
- 3.3070 -0.7936 0.2288 C 0 0 0
- 0.8489 -0.6097 -0.0700 C 0 0 0
- 2.0936 2.2536 1.1261 C 0 0 0
- 2.3675 2.1153 -1.2722 C 0 0 0
- 4.3444 -0.7345 -0.7065 C 0 0 0
- 3.4329 -1.6185 1.3510 C 0 0 0
- -0.3757 0.1960 -0.1256 C 0 0 0
- 0.7691 -2.0385 -0.1250 C 0 0 0
- 2.1830 3.6275 1.0488 C 0 0 0
- 2.4551 3.4898 -1.3333 C 0 0 0
- 5.4807 -1.4932 -0.5195 C 0 0 0
- 4.5750 -2.3711 1.5242 C 0 0 0
- -1.5770 -0.4090 -0.2252 O 0 0 0
- -0.3077 1.4093 -0.0820 O 0 0 0
- 0.7057 -3.1719 -0.1686 N 0 0 0
- 2.3606 4.2451 -0.1770 C 0 0 0
- 5.5956 -2.3116 0.5906 C 0 0 0
- -2.7891 0.3886 -0.2802 C 0 0 0
- -4.0032 -0.5359 -0.3909 C 0 0 0
- -5.2804 0.3045 -0.4489 C 0 0 0
- -3.8886 -1.3780 -1.6631 C 0 0 0
- -6.1817 -0.0553 0.7340 C 0 0 0
- -3.9688 -2.8624 -1.3010 C 0 0 0
- -7.5042 0.7051 0.6172 C 0 0 0
- -8.4055 0.3454 1.8000 C 0 0 0
- 1.0772 2.2280 0.0000 H 0 0 0
- 3.3689 1.9391 0.0000 H 0 0 0
- 4.6116 0.2465 0.0000 H 0 0 0
- 2.5768 -2.1670 0.0000 H 0 0 0
- 1.1813 3.8020 0.0000 H 0 0 0
- 3.4714 3.5207 0.0000 H 0 0 0
- 6.3417 -0.9524 0.0000 H 0 0 0
- 4.3114 -3.3531 0.0000 H 0 0 0
- 2.4396 5.2588 0.0000 H 0 0 0
- 6.3820 -2.9561 0.0000 H 0 0 0
- -2.1382 1.1697 0.0000 H 0 0 0
- -3.4921 1.1232 0.0000 H 0 0 0
- -4.8636 -1.0777 0.0000 H 0 0 0
- -4.5617 1.0238 0.0000 H 0 0 0
- -5.8400 1.1534 0.0000 H 0 0 0
- -3.0035 -1.8783 0.0000 H 0 0 0
- -3.0470 -0.8074 0.0000 H 0 0 0
- -6.8709 -0.8028 0.0000 H 0 0 0
- -5.6052 -0.8928 0.0000 H 0 0 0
- -4.9841 -2.8075 0.0000 H 0 0 0
- -4.0237 -3.8777 0.0000 H 0 0 0
- -2.9535 -2.9173 0.0000 H 0 0 0
- -6.8149 1.4526 0.0000 H 0 0 0
- -8.0807 1.5427 0.0000 H 0 0 0
- -8.7824 1.2897 0.0000 H 0 0 0
- -9.3498 -0.0315 0.0000 H 0 0 0
- -8.0286 -0.5989 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 10 17 3 0
- 11 18 2 0
- 13 19 2 0
- 15 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 12 18 1 0
- 14 19 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 24 45 1 0
- 24 46 1 0
- 25 47 1 0
- 25 48 1 0
- 25 49 1 0
- 26 50 1 0
- 26 51 1 0
- 27 52 1 0
- 27 53 1 0
- 27 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2475-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.2705 0.7056 0.0514 C 0 0 0
- -1.2705 -0.7056 0.0509 C 0 0 0
- 0.0001 1.4352 0.2043 C 0 0 0
- -2.4755 1.3976 -0.0991 C 0 0 0
- 0.0000 -1.4354 0.2024 C 0 0 0
- -2.4764 -1.3973 -0.0943 C 0 0 0
- 1.2704 0.7057 0.0502 C 0 0 0
- 0.0001 2.6263 0.4546 O 0 0 0
- -3.6691 0.6879 -0.2487 C 0 0 0
- -2.4860 2.7855 -0.0994 N 0 0 0
- 1.2704 -0.7059 0.0484 C 0 0 0
- 0.0001 -2.6266 0.4523 O 0 0 0
- -3.6705 -0.6874 -0.2383 C 0 0 0
- -2.4870 -2.7852 -0.0960 N 0 0 0
- 2.4757 1.3974 -0.0961 C 0 0 0
- 2.4757 -1.3975 -0.0983 C 0 0 0
- 3.6702 0.6874 -0.2413 C 0 0 0
- 2.4863 2.7852 -0.0966 N 0 0 0
- 3.6701 -0.6875 -0.2434 C 0 0 0
- 2.4863 -2.7853 -0.0993 N 0 0 0
- -4.5747 1.2036 0.0000 H 0 0 0
- -1.5874 3.3134 0.0000 H 0 0 0
- -3.3924 3.2997 0.0000 H 0 0 0
- -4.5766 -1.2022 0.0000 H 0 0 0
- -3.3935 -3.2994 0.0000 H 0 0 0
- -1.5885 -3.3132 0.0000 H 0 0 0
- 4.5760 1.2027 0.0000 H 0 0 0
- 3.3928 3.2994 0.0000 H 0 0 0
- 1.5878 3.3132 0.0000 H 0 0 0
- 4.5759 -1.2029 0.0000 H 0 0 0
- 1.5878 -3.3133 0.0000 H 0 0 0
- 3.3928 -3.2995 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 11 16 2 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 7 11 1 0
- 9 13 1 0
- 17 19 2 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 17 27 1 0
- 18 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6237-24-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.8059 0.0187 -0.4208 C 0 0 0
- -0.3484 0.8012 -0.6233 C 0 0 0
- 1.9753 0.6248 0.1088 C 0 0 0
- 0.8131 -1.3522 -0.7300 C 0 0 0
- -0.2830 2.1672 -0.2847 C 0 0 0
- -1.5025 0.2488 -1.1358 N 0 0 0
- 1.9914 1.9210 0.4153 N 0 0 0
- 3.1236 -0.1691 0.3067 C 0 0 0
- 1.9419 -2.0835 -0.5243 C 0 0 0
- 0.9245 2.6987 0.2403 C 0 0 0
- -1.3945 3.0093 -0.4596 C 0 0 0
- -2.2907 -0.2216 0.0111 C 0 0 0
- 3.0947 -1.4906 -0.0094 C 0 0 0
- 0.9769 4.0674 0.5751 C 0 0 0
- -1.3027 4.3247 -0.1245 C 0 0 0
- -3.5932 -0.8499 -0.4887 C 0 0 0
- 4.3052 -2.3160 0.2018 N 0 3 0
- -0.1186 4.8506 0.3924 C 0 0 0
- -4.4142 -1.3399 0.7058 C 0 0 0
- 4.2905 -3.5013 -0.0779 O 0 0 0
- 5.3159 -1.8097 0.6555 O 0 5 0
- -5.6647 -1.9431 0.2260 N 0 0 0
- -5.2913 -3.1531 -0.5186 C 0 0 0
- -6.4015 -2.3902 1.4157 C 0 0 0
- -0.0553 -1.8273 0.0000 H 0 0 0
- -1.9703 1.1211 0.0000 H 0 0 0
- 4.0052 0.2810 0.0000 H 0 0 0
- 1.8925 -3.0721 0.0000 H 0 0 0
- -2.2957 2.5999 0.0000 H 0 0 0
- -2.3348 -1.2105 0.0000 H 0 0 0
- -1.4410 -0.7294 0.0000 H 0 0 0
- 1.8656 4.5032 0.0000 H 0 0 0
- -2.1133 4.8928 0.0000 H 0 0 0
- -3.5491 0.1390 0.0000 H 0 0 0
- -4.4429 -0.3421 0.0000 H 0 0 0
- -0.0184 5.8354 0.0000 H 0 0 0
- -4.4583 -2.3288 0.0000 H 0 0 0
- -3.5645 -1.8477 0.0000 H 0 0 0
- -6.2371 -3.4450 0.0000 H 0 0 0
- -4.9994 -4.0989 0.0000 H 0 0 0
- -4.3455 -2.8612 0.0000 H 0 0 0
- -6.9150 -1.5440 0.0000 H 0 0 0
- -7.2477 -2.9037 0.0000 H 0 0 0
- -5.8880 -3.2364 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 16 19 1 0
- 17 20 2 0
- 17 21 1 0
- 19 22 1 0
- 22 23 1 0
- 22 24 1 0
- 7 10 2 0
- 9 13 1 0
- 15 18 1 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1162-65-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 1.4939 0.2307 0.3202 C 0 0 0
- 0.1209 0.3767 0.3248 C 0 0 0
- 2.6132 1.2351 0.5055 C 0 0 0
- 2.0817 -1.0161 0.1406 C 0 0 0
- -0.6922 -0.7630 0.1048 C 0 0 0
- -0.4357 1.5895 0.5662 O 0 0 0
- 3.8378 0.3043 0.7717 C 0 0 0
- 2.9687 1.8219 -0.8477 C 0 0 0
- 1.2740 -2.1457 -0.0246 C 0 0 0
- 3.4382 -0.9239 0.1445 O 0 0 0
- -2.0834 -0.5701 0.0214 C 0 0 0
- -0.1002 -2.0292 -0.0379 C 0 0 0
- -1.6786 1.8782 0.0935 C 0 0 0
- 4.8482 0.9214 -0.0489 O 0 0 0
- 4.2443 1.5838 -1.0605 C 0 0 0
- -2.6058 0.7302 0.0250 C 0 0 0
- -3.2002 -1.5595 -0.0748 C 0 0 0
- -0.8761 -3.1312 -0.1874 O 0 0 0
- -2.0026 3.0001 -0.2482 O 0 0 0
- -4.0491 0.7137 -0.0532 C 0 0 0
- -4.4977 -0.7314 -0.1220 C 0 0 0
- 0.0092 -4.2467 -0.3060 C 0 0 0
- -4.7743 1.6870 -0.0617 O 0 0 0
- 1.8159 1.8959 0.0000 H 0 0 0
- 4.6504 -0.3376 0.0000 H 0 0 0
- 2.5457 2.7671 0.0000 H 0 0 0
- 1.7083 -3.0858 0.0000 H 0 0 0
- 4.7481 2.4886 0.0000 H 0 0 0
- -3.8356 -2.3772 0.0000 H 0 0 0
- -2.4448 -2.2678 0.0000 H 0 0 0
- -5.4555 -0.3377 0.0000 H 0 0 0
- -4.9750 -1.6504 0.0000 H 0 0 0
- -0.8019 -4.8905 0.0000 H 0 0 0
- 0.6530 -5.0578 0.0000 H 0 0 0
- 0.8203 -3.6029 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 11 16 2 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 2 0
- 7 10 1 0
- 9 12 1 0
- 13 16 1 0
- 14 15 1 0
- 20 21 1 0
- 3 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 21 31 1 0
- 21 32 1 0
- 22 33 1 0
- 22 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.0714 0.5008 -0.0017 C 0 0 0
- -0.5563 -0.7665 -0.0007 C 0 0 0
- 1.5227 0.4097 -0.0008 C 0 0 0
- -0.7709 1.6354 0.0020 C 0 0 0
- 0.8170 -1.8868 0.0013 S 0 0 0
- -1.9275 -0.9026 -0.0010 C 0 0 0
- 2.0979 -0.7567 0.0008 N 0 0 0
- 2.2760 1.5404 -0.0020 O 0 0 0
- -2.1217 1.4939 0.0064 C 0 0 0
- -2.7226 0.2334 -0.0022 C 0 0 0
- 3.6435 1.1257 -0.0007 C 0 0 0
- -4.1141 0.1178 -0.0025 N 0 0 0
- -0.3497 2.5943 0.0000 H 0 0 0
- -2.3647 -1.8543 0.0000 H 0 0 0
- -2.7261 2.3492 0.0000 H 0 0 0
- 3.3396 0.1235 0.0000 H 0 0 0
- 4.6457 0.8218 0.0000 H 0 0 0
- 3.9474 2.1279 0.0000 H 0 0 0
- -4.7110 0.9783 0.0000 H 0 0 0
- -4.5609 -0.8294 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 10 12 1 0
- 5 7 1 0
- 9 10 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-09-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- 0.0000 -0.8902 0.0000 C 0 0 0
- -1.4721 0.1508 0.0000 Cl 0 0 0
- 1.4721 0.1508 0.0000 Cl 0 0 0
- -0.9005 -1.8990 0.0000 H 0 0 0
- 0.9005 -1.8990 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-577-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.1939 0.7888 0.0495 C 0 0 0
- 0.2112 -0.5310 -0.0301 C 0 0 0
- 0.7464 1.8004 0.1107 C 0 0 0
- -1.6366 1.1193 0.0632 N 0 3 0
- 1.5569 -0.8417 -0.0488 C 0 0 0
- -0.7982 -1.6117 -0.0950 N 0 3 0
- 2.0937 1.4949 0.0923 C 0 0 0
- -2.0849 1.9228 -0.7349 O 0 0 0
- -2.3755 0.5879 0.8726 O 0 5 0
- 2.5026 0.1718 0.0125 C 0 0 0
- -0.4477 -2.7767 -0.0357 O 0 0 0
- -1.9792 -1.3359 -0.2075 O 0 5 0
- 3.8273 -0.1313 -0.0062 O 0 0 0
- 0.4408 2.7901 0.0000 H 0 0 0
- 1.8596 -1.8323 0.0000 H 0 0 0
- 2.7975 2.2549 0.0000 H 0 0 0
- 4.8370 -0.3623 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 10 13 1 0
- 7 10 2 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 13 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51568-18-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.6916 0.0621 -0.0005 C 0 0 0
- -0.7051 0.6280 0.0001 C 0 0 0
- 1.8800 0.9887 0.0002 C 0 0 0
- 0.8585 -1.1339 0.0034 O 0 0 0
- -1.7195 -0.5174 -0.0009 C 0 0 0
- 3.1498 0.1771 -0.0006 C 0 0 0
- -3.1162 0.0485 -0.0003 C 0 0 0
- 4.4876 0.8710 0.0000 C 0 0 0
- 3.0953 -1.0292 -0.0016 O 0 0 0
- -3.2832 1.2451 0.0008 O 0 0 0
- -4.1747 -0.7769 -0.0010 O 0 0 0
- -0.1650 1.6208 0.0000 H 0 0 0
- -1.6305 1.2769 0.0000 H 0 0 0
- 2.5924 1.8661 0.0000 H 0 0 0
- 1.0887 1.7957 0.0000 H 0 0 0
- -2.2596 -1.5102 0.0000 H 0 0 0
- -0.7941 -1.1663 0.0000 H 0 0 0
- 5.0080 -0.1323 0.0000 H 0 0 0
- 5.4909 1.3914 0.0000 H 0 0 0
- 3.9672 1.8743 0.0000 H 0 0 0
- -5.0660 -1.4719 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 1 0
- 7 5 1 0
- 8 6 1 0
- 9 6 2 0
- 10 7 2 0
- 11 7 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-420-12-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 7 1 V2000
- -0.9403 0.7650 0.0000 C 0 0 0
- -0.9403 -0.7650 0.0000 C 0 0 0
- 0.7045 0.0000 0.0000 S 0 0 0
- -0.5510 2.0686 0.0000 H 0 0 0
- -2.2865 0.9617 0.0000 H 0 0 0
- -2.2865 -0.9617 0.0000 H 0 0 0
- -0.5510 -2.0686 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-496-14-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.1401 0.6929 -0.0703 C 0 0 0
- 0.1401 -0.6930 -0.0681 C 0 0 0
- 1.5809 1.1413 -0.1463 C 0 0 0
- -1.0523 1.3837 -0.0040 C 0 0 0
- 1.5808 -1.1419 -0.1429 C 0 0 0
- -1.0526 -1.3836 -0.0042 C 0 0 0
- 2.3711 0.0002 0.2352 O 0 0 0
- -2.2476 0.6915 0.0648 C 0 0 0
- -2.2481 -0.6912 0.0577 C 0 0 0
- 2.4899 1.6430 0.0000 H 0 0 0
- 1.1737 2.0963 0.0000 H 0 0 0
- -1.0522 2.4219 0.0000 H 0 0 0
- 1.1735 -2.0969 0.0000 H 0 0 0
- 2.4898 -1.6435 0.0000 H 0 0 0
- -1.0527 -2.4218 0.0000 H 0 0 0
- -3.1470 1.2102 0.0000 H 0 0 0
- -3.1477 -1.2095 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 5 7 1 0
- 8 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65271-80-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 62 1 V2000
- 0.7048 -0.5348 -0.0242 C 0 0 0
- -0.7045 -0.5346 0.0307 C 0 0 0
- 1.3956 0.6811 -0.0528 C 0 0 0
- 1.4411 -1.8085 -0.0570 C 0 0 0
- -1.3952 0.6815 0.0558 C 0 0 0
- -1.4413 -1.8081 0.0607 C 0 0 0
- 0.6872 1.8846 -0.0271 C 0 0 0
- 2.7821 0.6917 -0.1063 N 0 0 0
- 0.7034 -3.0838 -0.0329 C 0 0 0
- 2.6570 -1.8086 -0.1045 O 0 0 0
- -0.6866 1.8848 0.0264 C 0 0 0
- -2.7816 0.6925 0.1102 N 0 0 0
- -0.7041 -3.0836 0.0331 C 0 0 0
- -2.6571 -1.8078 0.1087 O 0 0 0
- 3.5042 1.9660 -0.1363 C 0 0 0
- 1.3932 -4.2982 -0.0645 C 0 0 0
- -3.5036 1.9669 0.1364 C 0 0 0
- -1.3946 -4.2977 0.0615 C 0 0 0
- 5.0095 1.6979 -0.1939 C 0 0 0
- 0.6868 -5.4982 -0.0418 C 0 0 0
- 2.7486 -4.3085 -0.1169 O 0 0 0
- -5.0088 1.6992 0.1960 C 0 0 0
- -0.6888 -5.4980 0.0355 C 0 0 0
- -2.7500 -4.3074 0.1147 O 0 0 0
- 5.7336 2.9756 -0.2240 N 0 0 0
- -5.7327 2.9772 0.2223 N 0 0 0
- 7.1647 2.6486 -0.2786 C 0 0 0
- -7.1638 2.6505 0.2791 C 0 0 0
- 7.9823 3.9414 -0.3123 C 0 0 0
- -7.9813 3.9435 0.3090 C 0 0 0
- 7.7130 4.7061 0.8644 O 0 0 0
- -7.7127 4.7042 -0.8705 O 0 0 0
- 1.2079 2.7951 0.0000 H 0 0 0
- 3.3136 -0.2125 0.0000 H 0 0 0
- -1.2071 2.7954 0.0000 H 0 0 0
- -3.3133 -0.2116 0.0000 H 0 0 0
- 3.8035 2.9713 0.0000 H 0 0 0
- 2.5391 2.3768 0.0000 H 0 0 0
- -2.5385 2.3776 0.0000 H 0 0 0
- -3.8027 2.9722 0.0000 H 0 0 0
- 4.7102 0.6926 0.0000 H 0 0 0
- 5.9746 1.2871 0.0000 H 0 0 0
- 1.2073 -6.4088 0.0000 H 0 0 0
- 3.7974 -4.3165 0.0000 H 0 0 0
- -5.9740 1.2886 0.0000 H 0 0 0
- -4.7097 0.6939 0.0000 H 0 0 0
- -1.2097 -6.4084 0.0000 H 0 0 0
- -3.7988 -4.3149 0.0000 H 0 0 0
- 5.3104 3.9353 0.0000 H 0 0 0
- -5.3093 3.9368 0.0000 H 0 0 0
- 6.8172 1.6590 0.0000 H 0 0 0
- 8.1088 2.1916 0.0000 H 0 0 0
- -8.1079 2.1936 0.0000 H 0 0 0
- -6.8164 1.6608 0.0000 H 0 0 0
- 8.7230 3.1988 0.0000 H 0 0 0
- 8.8702 4.4998 0.0000 H 0 0 0
- -8.8689 4.5024 0.0000 H 0 0 0
- -8.7223 3.2012 0.0000 H 0 0 0
- 7.3646 5.6954 0.0000 H 0 0 0
- -7.3635 5.6932 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 13 18 1 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 17 22 1 0
- 18 23 2 0
- 18 24 1 0
- 19 25 1 0
- 22 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 7 11 1 0
- 9 13 2 0
- 20 23 1 0
- 7 33 1 0
- 8 34 1 0
- 11 35 1 0
- 12 36 1 0
- 15 37 1 0
- 15 38 1 0
- 17 39 1 0
- 17 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 24 48 1 0
- 25 49 1 0
- 26 50 1 0
- 27 51 1 0
- 27 52 1 0
- 28 53 1 0
- 28 54 1 0
- 29 55 1 0
- 29 56 1 0
- 30 57 1 0
- 30 58 1 0
- 31 59 1 0
- 32 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96563-08-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.7786 -0.4800 -0.0359 C 0 0 0
- -0.6987 -0.3400 -0.0419 C 0 0 0
- 1.3638 0.7741 -0.1852 C 0 0 0
- 1.5943 -1.6056 0.0941 C 0 0 0
- -1.0366 1.0017 -0.1950 C 0 0 0
- -1.7124 -1.2928 0.0754 C 0 0 0
- 0.2491 1.7855 -0.2947 C 0 0 0
- 2.7366 0.9020 -0.2091 C 0 0 0
- 2.9664 -1.4685 0.0674 C 0 0 0
- -2.3607 1.3851 -0.2303 C 0 0 0
- -3.0340 -0.9002 0.0390 C 0 0 0
- -1.3627 -2.7493 0.2412 C 0 0 0
- 0.3377 2.7705 0.8728 C 0 0 0
- 3.5389 -0.2182 -0.0844 C 0 0 0
- -3.3601 0.4356 -0.1134 C 0 0 0
- 1.1707 -2.5490 0.0000 H 0 0 0
- 1.2125 2.1615 0.0000 H 0 0 0
- 3.1660 1.8428 0.0000 H 0 0 0
- 3.5677 -2.3099 0.0000 H 0 0 0
- -2.6055 2.3899 0.0000 H 0 0 0
- -3.7831 -1.6132 0.0000 H 0 0 0
- -2.3683 -2.9907 0.0000 H 0 0 0
- -1.1213 -3.7549 0.0000 H 0 0 0
- -0.3571 -2.5079 0.0000 H 0 0 0
- 1.3677 2.6778 0.0000 H 0 0 0
- 0.4304 3.8005 0.0000 H 0 0 0
- -0.6923 2.8632 0.0000 H 0 0 0
- 4.5683 -0.1190 0.0000 H 0 0 0
- -4.3524 0.7271 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 2 0
- 5 7 1 0
- 9 14 1 0
- 11 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-331-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.1038 -0.1492 -0.0043 C 0 0 0
- -1.1108 -1.1216 -0.0032 C 0 0 0
- -0.4470 1.2079 -0.0026 C 0 0 0
- 1.3095 -0.5519 -0.0011 C 0 0 0
- -2.4370 -0.7369 -0.0004 C 0 0 0
- -1.7725 1.5825 0.0002 C 0 0 0
- 2.2797 0.3883 -0.0022 C 0 0 0
- -2.7707 0.6170 0.0013 C 0 0 0
- -3.4179 -1.6788 0.0002 O 0 0 0
- 3.6432 -0.0002 0.0009 C 0 0 0
- -4.0759 0.9926 0.0040 O 0 0 0
- 4.6123 0.9387 -0.0002 O 0 0 0
- 3.9395 -1.1801 0.0045 O 0 0 0
- -0.8618 -2.1269 0.0000 H 0 0 0
- 0.2954 1.9300 0.0000 H 0 0 0
- 1.5618 -1.5564 0.0000 H 0 0 0
- -2.0254 2.5868 0.0000 H 0 0 0
- 2.0274 1.3928 0.0000 H 0 0 0
- -4.1649 -2.3961 0.0000 H 0 0 0
- -5.0712 1.2790 0.0000 H 0 0 0
- 5.3561 1.6593 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 2 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-130-26-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -1.6267 1.1776 -0.0023 C 0 0 0
- -2.3389 -0.0472 -0.0018 C 0 0 0
- -0.2167 1.1502 -0.0015 C 0 0 0
- -2.2938 2.3350 0.0022 N 0 0 0
- -1.6321 -1.2621 -0.0002 C 0 0 0
- -3.7455 -0.0181 -0.0026 C 0 0 0
- 0.4361 -0.0498 -0.0003 C 0 0 0
- 0.4889 2.3115 -0.0014 O 0 0 0
- -3.6046 2.3663 0.0069 C 0 0 0
- -0.2695 -1.2507 0.0010 C 0 0 0
- -2.4913 -2.7706 0.0009 Cl 0 0 0
- -4.3652 1.1995 -0.0037 C 0 0 0
- 2.5308 -0.0843 0.0001 I 0 0 0
- -4.3007 -0.9030 0.0000 H 0 0 0
- 1.0313 3.2043 0.0000 H 0 0 0
- -4.0913 3.2906 0.0000 H 0 0 0
- 0.2531 -2.1552 0.0000 H 0 0 0
- -5.4083 1.2553 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 10 1 0
- 9 12 2 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -2.4959 -0.5235 -0.4251 C 0 0 0
- -3.5542 0.2040 0.1045 C 0 0 0
- -1.2294 0.0598 -0.5337 N 0 0 0
- -2.6969 -1.8330 -0.8411 C 0 0 0
- -4.8033 -0.3749 0.2107 C 0 0 0
- -3.3430 1.5982 0.5548 N 0 3 0
- -0.1548 -0.5596 -0.0064 C 0 0 0
- -3.9477 -2.4080 -0.7272 C 0 0 0
- -5.0014 -1.6777 -0.2094 C 0 0 0
- -3.8122 1.9736 1.6142 O 0 0 0
- -2.7000 2.3699 -0.1341 O 0 5 0
- 1.1931 -0.0127 -0.2300 C 0 0 0
- -0.2990 -1.5707 0.6545 O 0 0 0
- 2.3642 -0.6491 0.3189 C 0 0 0
- 1.3923 1.1286 -0.9791 C 0 0 0
- 3.5540 -0.0728 0.0584 C 0 0 0
- 3.1107 1.3373 -0.9352 S 0 0 0
- 4.9015 -0.5072 0.4908 N 0 3 0
- 5.8828 0.1358 0.1636 O 0 0 0
- 5.0289 -1.5077 1.1736 O 0 5 0
- -1.1842 1.0503 0.0000 H 0 0 0
- -1.9052 -2.4300 0.0000 H 0 0 0
- -5.5963 0.2203 0.0000 H 0 0 0
- -4.0344 -3.3957 0.0000 H 0 0 0
- -5.9120 -2.0701 0.0000 H 0 0 0
- 2.3410 -1.6403 0.0000 H 0 0 0
- 0.7096 1.8477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 12 14 1 0
- 12 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 18 19 2 0
- 18 20 1 0
- 8 9 2 0
- 16 17 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 8 24 1 0
- 9 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-54-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.5307 0.2118 0.0037 C 0 0 0
- -0.6201 -0.8279 0.0029 C 0 0 0
- -1.0864 1.5211 0.0027 C 0 0 0
- -2.9824 -0.0766 -0.0007 N 0 3 0
- 0.7369 -0.5588 0.0012 C 0 0 0
- 0.2689 1.7917 0.0011 C 0 0 0
- -3.7853 0.8393 0.0000 O 0 0 0
- -3.3742 -1.2299 -0.0050 O 0 5 0
- 1.1819 0.7522 0.0003 C 0 0 0
- 1.8812 -1.8643 0.0008 Cl 0 0 0
- 2.8844 1.0916 -0.0023 Cl 0 0 0
- -0.9542 -1.8102 0.0000 H 0 0 0
- -1.7708 2.3009 0.0000 H 0 0 0
- 0.6017 2.7745 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135086-92-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -2.1400 -0.5861 -0.0007 C 0 0 0
- -3.6102 -0.6019 -0.0010 C 0 0 0
- -1.7612 0.7554 0.0005 C 0 0 0
- -1.2066 -1.5508 0.0035 N 0 0 0
- -4.0221 0.7418 0.0002 C 0 0 0
- -4.5617 -1.6223 -0.0024 C 0 0 0
- -2.8965 1.5374 0.0010 N 0 0 0
- -0.3808 1.0680 0.0010 C 0 0 0
- 0.0489 -1.2733 0.0026 N 0 0 0
- -5.3838 1.0356 0.0002 C 0 0 0
- -5.8926 -1.3119 -0.0028 C 0 0 0
- 0.5067 0.0490 0.0003 N 0 0 0
- -0.0020 2.2276 0.0017 O 0 0 0
- -6.3061 0.0129 -0.0009 C 0 0 0
- 1.8820 0.3158 0.0007 N 0 0 0
- 2.7341 -0.6652 0.0000 C 0 0 0
- 4.1811 -0.3844 0.0005 C 0 0 0
- 5.1003 -1.4367 -0.0003 C 0 0 0
- 4.6402 0.9355 -0.0041 C 0 0 0
- 6.4529 -1.1663 0.0002 C 0 0 0
- 5.9954 1.1905 -0.0036 C 0 0 0
- 6.9001 0.1431 0.0014 C 0 0 0
- -4.2593 -2.6153 0.0000 H 0 0 0
- -2.9028 2.5754 0.0000 H 0 0 0
- -5.7027 2.0234 0.0000 H 0 0 0
- -6.5992 -2.0723 0.0000 H 0 0 0
- -7.3201 0.2350 0.0000 H 0 0 0
- 2.3958 -1.6465 0.0000 H 0 0 0
- 4.7661 -2.4195 0.0000 H 0 0 0
- 3.9628 1.7220 0.0000 H 0 0 0
- 7.1370 -1.9470 0.0000 H 0 0 0
- 6.3378 2.1704 0.0000 H 0 0 0
- 7.9191 0.3408 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 11 26 1 0
- 14 27 1 0
- 16 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38083-17-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- -1.2050 0.0393 -0.0413 C 0 0 0
- -1.4057 -1.4033 0.1163 N 0 0 0
- -0.4068 0.2853 -1.2008 O 0 0 0
- -2.5413 0.7182 -0.1983 C 0 0 0
- -1.5452 -2.0796 1.2982 C 0 0 0
- -1.4937 -2.3134 -0.8775 C 0 0 0
- 0.8898 0.2825 -0.7929 C 0 0 0
- -2.7856 2.0587 0.4454 C 0 0 0
- -3.4163 0.1880 -0.8398 O 0 0 0
- -1.7080 -3.3795 0.9864 C 0 0 0
- -1.6724 -3.4934 -0.3495 N 0 0 0
- 1.9070 0.4977 -1.7109 C 0 0 0
- 1.1971 0.0701 0.5433 C 0 0 0
- -4.2032 2.5315 0.1168 C 0 0 0
- -2.6289 1.9324 1.9621 C 0 0 0
- -1.7728 3.0733 -0.0892 C 0 0 0
- 3.2244 0.4949 -1.2942 C 0 0 0
- 2.5153 0.0681 0.9560 C 0 0 0
- 3.5291 0.2778 0.0376 C 0 0 0
- 5.1851 0.2743 0.5586 Cl 0 0 0
- -1.1285 0.9311 0.0000 H 0 0 0
- -2.4283 -1.9335 0.0000 H 0 0 0
- -0.6054 -2.4235 0.0000 H 0 0 0
- -2.5995 -3.4592 0.0000 H 0 0 0
- 1.8148 1.3880 0.0000 H 0 0 0
- 0.9299 -0.7842 0.0000 H 0 0 0
- -3.9200 3.3806 0.0000 H 0 0 0
- -5.0523 2.8147 0.0000 H 0 0 0
- -4.4864 1.6824 0.0000 H 0 0 0
- -3.1906 1.2355 0.0000 H 0 0 0
- -1.9320 1.3707 0.0000 H 0 0 0
- -2.0672 2.6293 0.0000 H 0 0 0
- -1.1393 2.4409 0.0000 H 0 0 0
- -1.1404 3.7068 0.0000 H 0 0 0
- -2.4063 3.7057 0.0000 H 0 0 0
- 3.4980 1.3472 0.0000 H 0 0 0
- 2.6058 -0.8224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 12 17 1 0
- 13 18 2 0
- 17 19 2 0
- 19 20 1 0
- 10 11 1 0
- 18 19 1 0
- 1 21 1 0
- 5 22 1 0
- 6 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-963-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.6942 0.1587 0.0028 C 0 0 0
- 0.2708 -1.1956 0.0000 C 0 0 0
- 2.1372 0.4475 0.0024 C 0 0 0
- -0.1770 1.1556 0.0003 N 0 0 0
- -1.0913 -1.5002 0.0001 C 0 0 0
- 1.2594 -2.2714 -0.0036 C 0 0 0
- 3.0583 -0.6202 -0.0007 C 0 0 0
- 2.6034 1.7640 0.0046 C 0 0 0
- -1.4888 0.9354 -0.0046 C 0 0 0
- -2.0011 -0.4376 0.0031 C 0 0 0
- -1.5672 -2.9301 -0.0024 C 0 0 0
- 2.5790 -1.9994 -0.0040 C 0 0 0
- 4.4318 -0.3422 -0.0012 C 0 0 0
- 3.9584 2.0057 0.0036 C 0 0 0
- -2.4136 1.9976 -0.0078 C 0 0 0
- -3.3920 -0.6496 0.0040 C 0 0 0
- 4.8640 0.9523 0.0014 C 0 0 0
- -3.7458 1.7275 -0.0133 C 0 0 0
- -4.2306 0.4209 0.0075 C 0 0 0
- -5.7197 0.1888 0.0078 C 0 0 0
- 0.9372 -3.2699 0.0000 H 0 0 0
- 1.9247 2.5641 0.0000 H 0 0 0
- -2.5627 -2.5988 0.0000 H 0 0 0
- -1.8985 -3.9256 0.0000 H 0 0 0
- -0.5717 -3.2614 0.0000 H 0 0 0
- 3.2706 -2.7883 0.0000 H 0 0 0
- 5.1269 -1.1281 0.0000 H 0 0 0
- 4.3103 2.9941 0.0000 H 0 0 0
- -2.0764 2.9911 0.0000 H 0 0 0
- -3.7787 -1.6249 0.0000 H 0 0 0
- 5.8935 1.1545 0.0000 H 0 0 0
- -4.4279 2.5247 0.0000 H 0 0 0
- -5.8813 1.2254 0.0000 H 0 0 0
- -6.7563 0.0272 0.0000 H 0 0 0
- -5.5581 -0.8478 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 19 20 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -2.5907 -2.4639 0.0001 C 0 0 0
- -2.3924 -0.9700 0.0012 C 0 0 0
- -1.0901 -0.4264 0.0010 C 0 0 0
- -3.4655 -0.1382 -0.0031 C 0 0 0
- -0.9354 1.0321 0.0016 C 0 0 0
- 0.0339 -1.2508 0.0006 C 0 0 0
- -3.3184 1.2489 -0.0027 C 0 0 0
- 0.3364 1.6025 0.0009 C 0 0 0
- -2.0946 1.8370 0.0025 C 0 0 0
- 1.3053 -0.6803 0.0008 C 0 0 0
- 1.4599 0.7782 -0.0004 C 0 0 0
- 2.4651 -1.4851 -0.0001 C 0 0 0
- 2.7625 1.3222 -0.0006 C 0 0 0
- 3.6884 -0.8969 -0.0003 C 0 0 0
- 3.8355 0.4907 -0.0014 C 0 0 0
- -3.6278 -2.3262 0.0000 H 0 0 0
- -2.7284 -3.5010 0.0000 H 0 0 0
- -1.5536 -2.6016 0.0000 H 0 0 0
- -4.4279 -0.5484 0.0000 H 0 0 0
- -0.0763 -2.2911 0.0000 H 0 0 0
- -4.1733 1.8518 0.0000 H 0 0 0
- 0.4468 2.6428 0.0000 H 0 0 0
- -2.0115 2.8799 0.0000 H 0 0 0
- 2.3823 -2.5280 0.0000 H 0 0 0
- 2.9000 2.3593 0.0000 H 0 0 0
- 4.5434 -1.4997 0.0000 H 0 0 0
- 4.7979 0.9009 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 2 0
- 11 8 2 0
- 12 10 1 0
- 13 11 1 0
- 14 12 2 0
- 15 13 2 0
- 7 9 1 0
- 10 11 1 0
- 14 15 1 0
- 1 16 1 0
- 1 17 1 0
- 1 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-149-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.2420 0.8955 -0.1149 C 0 0 0
- -0.0448 -0.5246 0.1920 C 0 0 0
- 1.5725 1.0284 -0.1769 O 0 0 0
- -0.7844 1.7473 -0.2891 C 0 0 0
- 1.1340 -1.1475 0.2636 C 0 0 0
- -1.4625 -0.9994 0.3771 C 0 0 0
- 2.1443 -0.1777 0.0320 C 0 0 0
- -2.1737 1.1549 -0.1750 C 0 0 0
- -2.2317 0.1315 0.8098 O 0 0 0
- -1.9729 -1.4732 -0.8707 O 0 0 0
- 3.3414 -0.3986 0.0234 O 0 0 0
- -0.6398 2.7388 0.0000 H 0 0 0
- 1.2732 -2.1397 0.0000 H 0 0 0
- -0.9511 -1.8610 0.0000 H 0 0 0
- -2.4214 2.1258 0.0000 H 0 0 0
- -3.1710 1.0583 0.0000 H 0 0 0
- -2.7072 -2.1549 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 2 0
- 5 7 1 0
- 8 9 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-215-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.2641 0.7070 -0.0036 C 0 0 0
- -0.2635 -0.7096 -0.0030 C 0 0 0
- 1.0154 1.4416 -0.0021 C 0 0 0
- -1.4597 1.4056 0.0002 C 0 0 0
- 1.0173 -1.4421 -0.0007 C 0 0 0
- -1.4592 -1.4080 -0.0039 C 0 0 0
- 2.2316 0.7378 0.0000 C 0 0 0
- 1.0251 2.8372 -0.0033 C 0 0 0
- -2.6745 0.7087 0.0043 C 0 0 0
- 2.2325 -0.7362 0.0007 C 0 0 0
- 1.0303 -2.8377 0.0004 C 0 0 0
- -2.6743 -0.7112 -0.0059 C 0 0 0
- 3.4361 1.4434 0.0010 C 0 0 0
- 2.2243 3.5152 -0.0024 C 0 0 0
- -3.9026 1.3972 0.0088 C 0 0 0
- 3.4385 -1.4393 0.0033 C 0 0 0
- 2.2308 -3.5132 0.0029 C 0 0 0
- -3.9027 -1.3990 -0.0064 C 0 0 0
- 3.4249 2.8208 -0.0002 C 0 0 0
- -5.0681 0.6967 0.0132 C 0 0 0
- 3.4302 -2.8167 0.0044 C 0 0 0
- -5.0681 -0.6982 -0.0077 C 0 0 0
- -1.4555 2.4524 0.0000 H 0 0 0
- -1.4550 -2.4548 0.0000 H 0 0 0
- 0.1227 3.3679 0.0000 H 0 0 0
- 0.1291 -3.3703 0.0000 H 0 0 0
- 4.3465 0.9265 0.0000 H 0 0 0
- 2.2294 4.5620 0.0000 H 0 0 0
- -3.9184 2.4439 0.0000 H 0 0 0
- 4.3478 -0.9205 0.0000 H 0 0 0
- 2.2379 -4.5600 0.0000 H 0 0 0
- -3.9189 -2.4457 0.0000 H 0 0 0
- 4.3296 3.3476 0.0000 H 0 0 0
- -5.9793 1.2121 0.0000 H 0 0 0
- 4.3359 -3.3417 0.0000 H 0 0 0
- -5.9793 -1.2135 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 2 0
- 18 22 2 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 21 1 0
- 20 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58086-32-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- 2.2528 0.2193 0.1226 C 0 0 0
- 0.8866 0.3740 -0.0911 C 0 0 0
- 3.3621 1.2439 0.2440 C 0 0 1
- 2.8275 -1.0340 0.2598 C 0 0 0
- 0.0892 -0.7828 -0.1189 C 0 0 0
- 0.4046 1.6056 -0.2875 O 0 0 0
- 4.5197 0.3890 0.8490 C 0 0 1
- 3.9025 1.5474 -1.1408 C 0 0 0
- 4.1732 -0.9424 0.4376 O 0 0 0
- 2.0232 -2.1761 0.1976 C 0 0 0
- -1.3687 -0.6155 -0.2690 C 0 0 0
- 0.6615 -2.0537 0.0074 C 0 0 0
- -0.8942 1.7974 -0.0351 C 0 0 0
- 5.6415 0.8300 0.0602 O 0 0 0
- 5.1887 1.2741 -1.1333 C 0 0 0
- -1.8406 0.7687 -0.0261 C 0 0 0
- -2.1158 -1.5303 -0.5651 O 0 0 0
- -0.1189 -3.1615 -0.0589 O 0 0 0
- -1.3356 3.1003 0.2339 C 0 0 0
- -3.1989 1.0336 0.2108 C 0 0 0
- 0.7468 -4.2869 0.1024 C 0 0 0
- -2.6643 3.3574 0.4809 C 0 0 0
- -3.6044 2.3402 0.4680 C 0 0 0
- -4.1883 -0.0635 0.1867 C 0 0 0
- -5.2933 0.0425 -0.5766 O 0 0 0
- -4.0053 -1.0611 0.8552 O 0 0 0
- -6.2655 -1.0357 -0.6002 C 0 0 0
- 2.7553 2.0783 0.0000 H 0 0 0
- 5.2917 -0.2955 0.0000 H 0 0 0
- 3.7471 2.5674 0.0000 H 0 0 0
- 2.4569 -3.1123 0.0000 H 0 0 0
- 5.6766 2.1832 0.0000 H 0 0 0
- -0.6571 3.8776 0.0000 H 0 0 0
- -0.0710 -4.9160 0.0000 H 0 0 0
- 1.3759 -5.1047 0.0000 H 0 0 0
- 1.5646 -3.6578 0.0000 H 0 0 0
- -2.9857 4.3378 0.0000 H 0 0 0
- -4.6107 2.5679 0.0000 H 0 0 0
- -7.0317 -0.3448 0.0000 H 0 0 0
- -6.9564 -1.8019 0.0000 H 0 0 0
- -5.4993 -1.7266 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 11 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 16 20 1 0
- 18 21 1 0
- 19 22 2 0
- 20 23 2 0
- 20 24 1 0
- 24 25 1 0
- 24 26 2 0
- 25 27 1 0
- 7 9 1 0
- 10 12 2 0
- 13 16 2 0
- 14 15 1 0
- 22 23 1 0
- 3 28 1 0
- 7 29 1 0
- 8 30 1 0
- 10 31 1 0
- 15 32 1 0
- 19 33 1 0
- 21 34 1 0
- 21 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 27 39 1 0
- 27 40 1 0
- 27 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-641-38-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.9135 -0.3737 0.0313 C 0 0 0
- -0.5593 -0.4700 0.0406 C 0 0 0
- 1.5076 0.8828 0.2329 C 0 0 0
- 1.7098 -1.4971 -0.1777 C 0 0 0
- -1.2947 0.7396 -0.0041 C 0 0 0
- -1.2274 -1.6810 0.0910 C 0 0 0
- 0.7298 1.9764 0.4407 O 0 0 0
- 2.8882 0.9952 0.2213 C 0 0 0
- 3.0819 -1.3721 -0.1847 C 0 0 0
- 1.0725 -2.8454 -0.3951 C 0 0 0
- -0.5341 1.9957 -0.0531 C 0 0 0
- -2.6911 0.7076 -0.0010 C 0 0 0
- -2.6165 -1.6989 0.0958 C 0 0 0
- 3.6723 -0.1286 0.0155 C 0 0 0
- -1.0174 3.0112 -0.5167 O 0 0 0
- -3.3419 -0.5144 0.0486 C 0 0 0
- -3.4029 1.8616 -0.0456 O 0 0 0
- -3.2724 -2.8862 0.1459 O 0 0 0
- 5.0258 -0.0145 0.0048 O 0 0 0
- -0.6943 -2.5708 0.0000 H 0 0 0
- 3.3302 1.9336 0.0000 H 0 0 0
- 3.6754 -2.2228 0.0000 H 0 0 0
- 0.1347 -2.4021 0.0000 H 0 0 0
- 0.6292 -3.7832 0.0000 H 0 0 0
- 2.0103 -3.2887 0.0000 H 0 0 0
- -4.3787 -0.5456 0.0000 H 0 0 0
- -3.9475 2.7445 0.0000 H 0 0 0
- -3.7740 -3.7942 0.0000 H 0 0 0
- 6.0594 0.0726 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 8 14 2 0
- 11 15 2 0
- 12 16 1 0
- 12 17 1 0
- 13 18 1 0
- 14 19 1 0
- 7 11 1 0
- 9 14 1 0
- 13 16 2 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27532-75-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.9280 0.3942 -0.0039 C 0 0 0
- -0.8223 -1.0686 -0.0024 C 0 0 0
- 0.2225 1.1804 -0.0031 C 0 0 0
- -2.2118 0.9814 -0.0001 C 0 0 0
- 0.4292 -1.6813 -0.0003 C 0 0 0
- -2.0083 -1.8343 -0.0027 C 0 0 0
- 1.4744 0.5677 -0.0010 C 0 0 0
- 0.1139 2.6835 -0.0052 C 0 0 0
- -3.3119 0.1862 0.0047 C 0 0 0
- 1.5801 -0.8949 0.0005 C 0 0 0
- -3.2113 -1.2056 -0.0044 C 0 0 0
- 2.6604 1.3332 0.0008 C 0 0 0
- -4.6776 0.8232 0.0087 C 0 0 0
- 2.8636 -1.4822 0.0021 C 0 0 0
- 3.8634 0.7045 0.0039 C 0 0 0
- 3.9639 -0.6872 0.0024 C 0 0 0
- -2.3147 2.0229 0.0000 H 0 0 0
- 0.5046 -2.7251 0.0000 H 0 0 0
- -1.9603 -2.8797 0.0000 H 0 0 0
- 1.1577 2.7589 0.0000 H 0 0 0
- 0.0385 3.7273 0.0000 H 0 0 0
- -0.9299 2.6081 0.0000 H 0 0 0
- -4.0863 -1.7797 0.0000 H 0 0 0
- 2.6125 2.3786 0.0000 H 0 0 0
- -4.2352 1.7716 0.0000 H 0 0 0
- -5.6260 1.2656 0.0000 H 0 0 0
- -5.1200 -0.1252 0.0000 H 0 0 0
- 2.9663 -2.5237 0.0000 H 0 0 0
- 4.7384 1.2786 0.0000 H 0 0 0
- 4.9123 -1.1297 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 10 2 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2358-84-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- -2.7082 -0.5124 0.0791 O 0 0 0
- -3.7205 0.3295 0.3680 C 0 0 0
- -2.1412 -1.3504 1.1206 C 0 0 0
- -4.2943 1.1776 -0.6860 C 0 0 0
- -4.1586 0.3872 1.5001 O 0 0 0
- -1.0164 -2.2044 0.5321 C 0 0 0
- -3.7510 1.1061 -2.0899 C 0 0 0
- -5.2937 2.0089 -0.4008 C 0 0 0
- 0.0000 -1.3525 0.0001 O 0 0 0
- 1.0165 -2.2045 -0.5317 C 0 0 0
- 2.1413 -1.3505 -1.1204 C 0 0 0
- 2.7082 -0.5123 -0.0790 O 0 0 0
- 3.7205 0.3296 -0.3680 C 0 0 0
- 4.2942 1.1779 0.6859 C 0 0 0
- 4.1586 0.3871 -1.5002 O 0 0 0
- 3.7510 1.1065 2.0897 C 0 0 0
- 5.2936 2.0091 0.4006 C 0 0 0
- -2.9986 -1.5065 0.0000 H 0 0 0
- -2.3438 -2.1980 0.0000 H 0 0 0
- -1.5937 -2.8573 0.0000 H 0 0 0
- -0.4084 -2.8287 0.0000 H 0 0 0
- -3.8647 0.2421 0.0000 H 0 0 0
- -2.8870 0.9924 0.0000 H 0 0 0
- -3.6373 1.9701 0.0000 H 0 0 0
- -5.1461 2.8678 0.0000 H 0 0 0
- -6.1113 1.7073 0.0000 H 0 0 0
- 0.4085 -2.8288 0.0000 H 0 0 0
- 1.5938 -2.8574 0.0000 H 0 0 0
- 2.3440 -2.1981 0.0000 H 0 0 0
- 2.9987 -1.5065 0.0000 H 0 0 0
- 3.6374 1.9706 0.0000 H 0 0 0
- 2.8869 0.9929 0.0000 H 0 0 0
- 3.8646 0.2424 0.0000 H 0 0 0
- 6.1112 1.7075 0.0000 H 0 0 0
- 5.1460 2.8680 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 2 0
- 3 18 1 0
- 3 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-05-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- 0.9620 -0.2012 0.0648 C 0 0 0
- -0.3542 -0.8732 -0.3316 C 0 0 0
- 2.1360 -1.0281 -0.4632 C 0 0 0
- 1.0169 1.1838 -0.5265 C 0 0 0
- -1.5282 -0.0463 0.1964 C 0 0 0
- 3.1310 -1.2831 0.6707 C 0 0 0
- 1.1254 2.1451 0.1963 O 0 0 0
- -2.8443 -0.7183 -0.2000 C 0 0 0
- -4.0184 0.1086 0.3280 C 0 0 0
- 1.9276 0.2757 0.0000 H 0 0 0
- -1.1080 -1.6424 0.0000 H 0 0 0
- 0.2836 -1.7410 0.0000 H 0 0 0
- 1.2204 -1.5951 0.0000 H 0 0 0
- 2.2989 -2.0927 0.0000 H 0 0 0
- -0.0570 1.2656 0.0000 H 0 0 0
- -0.7744 0.7229 0.0000 H 0 0 0
- -2.1660 0.8215 0.0000 H 0 0 0
- 2.8636 -2.3264 0.0000 H 0 0 0
- 4.1743 -1.5505 0.0000 H 0 0 0
- 3.3984 -0.2398 0.0000 H 0 0 0
- -3.5981 -1.4875 0.0000 H 0 0 0
- -2.2065 -1.5861 0.0000 H 0 0 0
- -3.3983 0.9891 0.0000 H 0 0 0
- -4.8989 0.7287 0.0000 H 0 0 0
- -4.6385 -0.7719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15176-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.9482 -0.7910 0.4304 C 0 0 2
- -0.4926 -0.5495 0.3206 N 0 0 0
- 1.6281 0.4585 0.6799 O 0 0 0
- 1.4949 -1.2726 -0.9318 C 0 0 0
- -0.9547 0.7270 0.1498 C 0 0 0
- -1.3486 -1.5856 0.3832 C 0 0 0
- 2.9905 0.2425 0.2519 C 0 0 1
- 2.8693 -0.5771 -1.0519 C 0 0 1
- -2.2826 0.9495 0.0486 C 0 0 0
- -2.6770 -1.3924 0.2852 N 0 0 0
- -0.9160 -2.7124 0.5300 O 0 0 0
- 3.6493 1.5895 -0.0519 C 0 0 0
- 3.9012 -1.5649 -1.0913 O 0 0 0
- -3.1727 -0.1491 0.1219 C 0 0 0
- -2.8103 2.3485 -0.1393 C 0 0 0
- 3.6802 2.3833 1.1360 O 0 0 0
- -4.3745 0.0267 0.0336 O 0 0 0
- -2.9069 2.6606 -1.6340 C 0 0 0
- 0.5143 -1.7028 0.0000 H 0 0 0
- 0.7370 -1.9399 0.0000 H 0 0 0
- 2.0611 -2.1088 0.0000 H 0 0 0
- -0.3082 1.5028 0.0000 H 0 0 0
- 3.9550 -0.0567 0.0000 H 0 0 0
- 3.8246 -0.2497 0.0000 H 0 0 0
- -3.3024 -2.1852 0.0000 H 0 0 0
- 4.3234 0.8377 0.0000 H 0 0 0
- 4.5993 1.9320 0.0000 H 0 0 0
- 4.6307 -2.2632 0.0000 H 0 0 0
- -3.7993 2.5523 0.0000 H 0 0 0
- -3.4660 1.5805 0.0000 H 0 0 0
- 3.7195 3.3923 0.0000 H 0 0 0
- -1.9422 2.9592 0.0000 H 0 0 0
- -3.2055 3.6253 0.0000 H 0 0 0
- -3.8716 2.3620 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 7 8 1 0
- 10 14 1 0
- 1 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.2743 0.0217 -0.0288 C 0 0 0
- -1.2038 -1.3607 -0.0294 C 0 0 0
- -0.1084 0.7712 -0.0350 C 0 0 0
- -2.8201 0.8696 -0.0061 S 0 0 0
- 0.0447 -1.9843 -0.0185 C 0 0 0
- -2.3354 -2.1757 -0.0580 N 0 0 0
- 1.1244 0.1504 -0.0301 C 0 0 0
- -3.8375 -0.3749 -0.4141 N 0 0 0
- -3.0912 1.1950 1.3503 O 0 0 0
- -2.8113 1.7710 -1.1046 O 0 0 0
- 1.2006 -1.2318 -0.0188 C 0 0 0
- -3.6614 -1.6601 0.2836 C 0 0 0
- 2.5985 1.1156 -0.0382 S 0 0 0
- 2.7489 -2.0168 -0.0045 Cl 0 0 0
- 3.4457 0.7369 1.3334 N 0 0 0
- 3.3764 0.6233 -1.1207 O 0 0 0
- 2.1787 2.4630 0.1270 O 0 0 0
- -0.1628 1.8086 0.0000 H 0 0 0
- 0.1038 -3.0215 0.0000 H 0 0 0
- -2.2042 -3.2063 0.0000 H 0 0 0
- -4.8375 -0.0932 0.0000 H 0 0 0
- -4.6997 -1.6260 0.0000 H 0 0 0
- -3.8697 -2.6779 0.0000 H 0 0 0
- 3.5528 -0.2964 0.0000 H 0 0 0
- 4.2871 1.3463 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 2 0
- 13 17 2 0
- 7 11 1 0
- 8 12 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 12 22 1 0
- 12 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.6324 0.1098 0.0024 C 0 0 0
- 0.1419 -1.0416 -0.0003 C 0 0 0
- -0.0240 1.3498 0.0040 C 0 0 0
- -2.1359 0.0075 -0.0025 C 0 0 0
- 1.5256 -0.9441 -0.0015 C 0 0 0
- -0.4543 -2.2628 -0.0014 O 0 0 0
- 1.3556 1.4443 0.0028 C 0 0 0
- -2.6975 0.6869 1.2480 C 0 0 0
- -2.6899 0.6980 -1.2504 C 0 0 0
- 2.1293 0.2987 0.0001 C 0 0 0
- 3.6326 0.4054 -0.0007 C 0 0 0
- -0.6021 2.2104 0.0000 H 0 0 0
- -2.5454 -0.9450 0.0000 H 0 0 0
- 2.1063 -1.8030 0.0000 H 0 0 0
- -0.9092 -3.1945 0.0000 H 0 0 0
- 1.8105 2.3760 0.0000 H 0 0 0
- -1.8984 1.3475 0.0000 H 0 0 0
- -3.3581 1.4860 0.0000 H 0 0 0
- -3.4966 0.0263 0.0000 H 0 0 0
- -1.8812 1.3468 0.0000 H 0 0 0
- -3.3387 1.5067 0.0000 H 0 0 0
- -3.4986 0.0492 0.0000 H 0 0 0
- 3.7060 -0.6288 0.0000 H 0 0 0
- 4.6668 0.4788 0.0000 H 0 0 0
- 3.5592 1.4396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 10 11 1 0
- 7 10 2 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2457-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.0002 -0.6676 -0.0004 C 0 0 0
- -1.1917 0.0428 -0.0003 C 0 0 0
- 1.1917 0.0427 -0.0003 C 0 0 0
- -1.1520 1.4254 0.0000 C 0 0 0
- -2.7133 -0.7929 0.0001 Cl 0 0 0
- 1.1517 1.4257 0.0000 C 0 0 0
- 2.7134 -0.7928 0.0001 Cl 0 0 0
- 0.0000 2.0673 0.0001 N 0 0 0
- 0.0002 -1.7066 0.0000 H 0 0 0
- -2.0402 1.9646 0.0000 H 0 0 0
- 2.0398 1.9650 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 2 0
- 1 9 1 0
- 4 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129018-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.6946 0.1939 -0.0468 C 0 0 0
- 1.0036 -1.1506 0.2310 C 0 0 0
- 1.9038 0.8467 -0.1805 N 0 0 0
- -0.6320 0.5891 -0.1245 C 0 0 0
- 2.3568 -1.2435 0.2513 N 0 0 0
- 0.0271 -2.0377 0.4128 N 0 0 0
- 2.8823 -0.0766 0.0109 C 0 0 0
- 2.0960 2.2690 -0.4743 C 0 0 0
- -1.6190 -0.3766 0.0790 C 0 0 0
- -1.2389 -1.6951 0.3406 C 0 0 0
- 4.3347 0.2034 -0.0460 N 0 3 0
- -3.0546 -0.0093 0.0080 C 0 0 0
- 4.8069 1.1086 0.6182 O 0 0 0
- 5.0576 -0.4713 -0.7572 O 0 5 0
- -3.9679 -0.8707 -0.5973 C 0 0 0
- -3.4957 1.1957 0.5511 C 0 0 0
- -5.3020 -0.5239 -0.6606 C 0 0 0
- -4.8326 1.5324 0.4821 C 0 0 0
- -5.7336 0.6763 -0.1247 C 0 0 0
- -0.8763 1.5766 0.0000 H 0 0 0
- 3.1041 2.1328 0.0000 H 0 0 0
- 2.2322 3.2771 0.0000 H 0 0 0
- 1.0879 2.4052 0.0000 H 0 0 0
- -1.9523 -2.4203 0.0000 H 0 0 0
- -3.7153 -1.8561 0.0000 H 0 0 0
- -2.8148 1.9515 0.0000 H 0 0 0
- -5.9879 -1.2752 0.0000 H 0 0 0
- -5.0907 2.5164 0.0000 H 0 0 0
- -6.7234 0.9111 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 5 7 2 0
- 9 10 2 0
- 18 19 2 0
- 4 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-73-49-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.3087 0.8595 -0.1619 C 0 0 0
- 1.1242 -0.5348 -0.1304 C 0 0 0
- 2.6099 1.3461 -0.2160 N 0 0 0
- 0.2120 1.7024 -0.1332 C 0 0 0
- -0.1636 -1.0617 -0.0657 C 0 0 0
- 2.3155 -1.4010 -0.1720 C 0 0 0
- 3.6813 0.5522 0.3978 C 0 0 0
- -1.0616 1.1662 -0.0692 C 0 0 0
- -1.2467 -0.2087 -0.0374 C 0 0 0
- 3.5321 -0.8594 0.0446 N 0 0 0
- 2.2034 -2.5905 -0.3987 O 0 0 0
- 5.0382 1.0603 -0.0939 C 0 0 0
- -2.4394 2.2216 -0.0324 Cl 0 0 0
- -2.8780 -0.8695 0.0445 S 0 0 0
- 6.1549 0.2328 0.5458 C 0 0 0
- -3.5757 -0.2953 1.4323 N 0 0 0
- -3.5930 -0.2664 -1.0252 O 0 0 0
- -2.7188 -2.2676 0.2424 O 0 0 0
- 2.7552 2.3778 0.0000 H 0 0 0
- 0.3454 2.7357 0.0000 H 0 0 0
- -0.3083 -2.0935 0.0000 H 0 0 0
- 3.8264 1.5840 0.0000 H 0 0 0
- 4.3748 -1.4721 0.0000 H 0 0 0
- 5.8066 1.7640 0.0000 H 0 0 0
- 4.4937 1.9486 0.0000 H 0 0 0
- 5.5346 -0.6043 0.0000 H 0 0 0
- 6.9920 -0.3875 0.0000 H 0 0 0
- 6.7752 1.0699 0.0000 H 0 0 0
- -3.4046 0.7325 0.0000 H 0 0 0
- -4.5513 -0.6610 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 2 0
- 14 18 2 0
- 7 10 1 0
- 8 9 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 7 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-655-86-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.4820 0.7350 -0.0044 C 0 0 0
- -0.4820 -0.7350 -0.0014 C 0 0 0
- 0.6661 1.4030 -0.0046 N 0 0 0
- -1.7169 1.4163 -0.0013 C 0 0 0
- 0.6661 -1.4029 0.0012 N 0 0 0
- -1.7169 -1.4163 -0.0009 C 0 0 0
- 1.8157 0.7333 -0.0019 C 0 0 0
- -2.8788 0.7057 0.0045 C 0 0 0
- 1.8156 -0.7332 0.0010 C 0 0 0
- -2.8788 -0.7057 -0.0031 C 0 0 0
- 3.0528 1.4109 -0.0016 C 0 0 0
- -4.0942 1.3871 0.0076 N 0 0 0
- 3.0527 -1.4109 0.0034 C 0 0 0
- -4.0943 -1.3871 -0.0030 N 0 0 0
- 4.2083 0.6975 0.0014 C 0 0 0
- 4.2083 -0.6975 0.0028 C 0 0 0
- -1.7403 2.4611 0.0000 H 0 0 0
- -1.7403 -2.4611 0.0000 H 0 0 0
- 3.0800 2.4556 0.0000 H 0 0 0
- -4.1074 2.4321 0.0000 H 0 0 0
- -4.9926 0.8532 0.0000 H 0 0 0
- 3.0798 -2.4556 0.0000 H 0 0 0
- -4.9927 -0.8532 0.0000 H 0 0 0
- -4.1075 -2.4321 0.0000 H 0 0 0
- 5.1210 1.2066 0.0000 H 0 0 0
- 5.1210 -1.2066 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 7 9 2 0
- 8 10 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109143-18-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.6520 -0.0569 0.0856 C 0 0 0
- -1.6499 -0.3263 1.0332 C 0 0 0
- 0.6878 -0.0969 0.4737 C 0 0 0
- -1.2697 0.1962 -1.0866 O 0 0 0
- -1.3020 -0.6313 2.3538 C 0 0 0
- -2.9217 -0.2027 0.3111 C 0 0 0
- 1.6970 0.1703 -0.4611 N 0 0 0
- 1.0188 -0.4001 1.7824 C 0 0 0
- -2.6048 0.1068 -0.9534 C 0 0 0
- 0.0298 -0.6656 2.7188 C 0 0 0
- -2.2697 -0.8921 3.2729 O 0 0 0
- 2.4405 1.3333 0.0413 C 0 0 0
- 2.6213 -0.9707 -0.4221 C 0 0 0
- -3.5824 0.3248 -2.0437 N 0 3 0
- -1.6039 -1.1637 4.5079 C 0 0 0
- 1.7646 2.6182 -0.4415 C 0 0 0
- 2.1387 -2.0514 -1.3916 C 0 0 0
- -4.7754 0.2203 -1.8218 O 0 0 0
- -3.1936 0.6086 -3.1625 O 0 5 0
- 2.6772 4.0457 0.1751 Cl 0 0 0
- 3.2732 -3.4519 -1.3438 Cl 0 0 0
- -3.7097 -0.4800 0.0000 H 0 0 0
- 1.8303 -0.5984 0.0000 H 0 0 0
- 0.1284 -1.4951 0.0000 H 0 0 0
- 3.0566 0.7692 0.0000 H 0 0 0
- 3.1020 1.8434 0.0000 H 0 0 0
- 3.3216 -1.4261 0.0000 H 0 0 0
- 3.1804 -0.3501 0.0000 H 0 0 0
- -1.9194 -1.9371 0.0000 H 0 0 0
- -0.8305 -1.4792 0.0000 H 0 0 0
- -1.2884 -0.3903 0.0000 H 0 0 0
- 1.1485 3.1823 0.0000 H 0 0 0
- 1.1031 2.1081 0.0000 H 0 0 0
- 1.4384 -1.5960 0.0000 H 0 0 0
- 1.5796 -2.6720 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 16 20 1 0
- 17 21 1 0
- 6 9 2 0
- 8 10 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6203-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 3.4037 -0.3220 0.0022 N 0 0 0
- 3.8560 -1.7154 0.0030 C 0 0 0
- 4.3843 0.7664 -0.0046 C 0 0 0
- 2.0441 -0.0325 0.0021 C 0 0 0
- 1.6165 1.2930 0.0013 C 0 0 0
- 1.1134 -1.0693 -0.0031 C 0 0 0
- 0.2817 1.5822 0.0007 C 0 0 0
- -0.2231 -0.7898 -0.0037 C 0 0 0
- -0.6582 0.5428 0.0009 C 0 0 0
- -2.0929 0.8482 0.0003 C 0 0 0
- -3.0008 -0.1594 0.0005 C 0 0 0
- -4.3770 0.1336 -0.0001 C 0 0 0
- -5.1902 -0.7689 0.0001 O 0 0 0
- 2.8621 -2.0380 0.0000 H 0 0 0
- 4.1786 -2.7093 0.0000 H 0 0 0
- 4.8499 -1.3928 0.0000 H 0 0 0
- 5.1606 0.0670 0.0000 H 0 0 0
- 5.0837 1.5427 0.0000 H 0 0 0
- 3.6080 1.4658 0.0000 H 0 0 0
- 2.3180 2.0674 0.0000 H 0 0 0
- 1.4387 -2.0623 0.0000 H 0 0 0
- -0.0382 2.5770 0.0000 H 0 0 0
- -0.9205 -1.5680 0.0000 H 0 0 0
- -2.4155 1.8421 0.0000 H 0 0 0
- -2.6782 -1.1533 0.0000 H 0 0 0
- -4.6996 1.1275 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 11 10 2 0
- 12 11 1 0
- 13 12 2 0
- 8 9 1 0
- 2 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 3 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-318-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- 2.7050 -0.2098 0.0778 C 0 0 0
- 1.3987 0.3149 -0.0012 C 0 0 0
- 3.8126 0.6645 -0.0479 C 0 0 0
- 2.9291 -1.5805 0.2843 C 0 0 0
- 0.3237 -0.5065 0.1164 O 0 0 0
- 1.2219 1.6555 -0.1973 C 0 0 0
- 3.5882 2.0374 -0.2493 C 0 0 0
- 5.1150 0.1422 0.0307 C 0 0 0
- 4.2044 -2.0514 0.3557 C 0 0 0
- -0.8392 0.3151 -0.0055 C 0 0 0
- 2.3137 2.5108 -0.3203 C 0 0 0
- 5.2944 -1.1928 0.2261 C 0 0 0
- -2.0926 -0.5535 0.1186 C 0 0 0
- -3.3376 0.3261 -0.0120 C 0 0 0
- -2.0943 -1.5381 -0.9171 O 0 0 0
- -4.5410 -0.5078 0.1072 N 0 0 0
- -5.6938 0.3929 -0.0263 C 0 0 0
- -6.8669 -0.3686 -0.6465 C 0 0 0
- -6.0968 0.9135 1.3548 C 0 0 0
- 2.1248 -2.2437 0.0000 H 0 0 0
- 0.2567 2.0495 0.0000 H 0 0 0
- 4.3932 2.6999 0.0000 H 0 0 0
- 5.9376 0.7826 0.0000 H 0 0 0
- 4.3671 -3.0811 0.0000 H 0 0 0
- -0.1427 1.0908 0.0000 H 0 0 0
- -1.5286 1.0971 0.0000 H 0 0 0
- 2.1533 3.5409 0.0000 H 0 0 0
- 6.2606 -1.5843 0.0000 H 0 0 0
- -3.0187 -1.0321 0.0000 H 0 0 0
- -2.6411 1.1018 0.0000 H 0 0 0
- -4.0270 1.1081 0.0000 H 0 0 0
- -2.0961 -2.5806 0.0000 H 0 0 0
- -4.5708 -1.5499 0.0000 H 0 0 0
- -4.9550 1.1284 0.0000 H 0 0 0
- -7.4345 0.5058 0.0000 H 0 0 0
- -7.7413 -0.9362 0.0000 H 0 0 0
- -6.2993 -1.2430 0.0000 H 0 0 0
- -5.2724 1.5516 0.0000 H 0 0 0
- -6.7349 1.7379 0.0000 H 0 0 0
- -6.9212 0.2754 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 7 11 2 0
- 9 12 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-286-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.8691 0.8330 0.4048 C 0 0 0
- -0.9545 -0.6495 0.5350 C 0 0 0
- -1.3865 0.0140 -0.6504 O 0 0 0
- 0.4229 1.4736 -0.0251 C 0 0 0
- 0.2718 -1.4834 0.2947 C 0 0 0
- 1.6348 0.5725 0.1752 C 0 0 0
- 1.3413 -0.7649 -0.5181 C 0 0 0
- -1.5751 1.6159 0.0000 H 0 0 0
- -1.7074 -1.3875 0.0000 H 0 0 0
- 1.1765 2.2108 0.0000 H 0 0 0
- -0.1874 2.3333 0.0000 H 0 0 0
- -0.4269 -2.2728 0.0000 H 0 0 0
- 0.9661 -2.2767 0.0000 H 0 0 0
- 2.6225 0.2039 0.0000 H 0 0 0
- 2.1386 1.4986 0.0000 H 0 0 0
- 1.6753 -1.7648 0.0000 H 0 0 0
- 2.3941 -0.7089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 5 7 1 0
- 2 3 1 0
- 6 7 1 0
- 1 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-52-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.4464 -0.2664 0.0024 C 0 0 0
- 0.4918 -1.3032 0.0012 C 0 0 0
- -0.0096 1.0624 0.0016 C 0 0 0
- -1.8861 -0.5717 -0.0017 C 0 0 0
- 1.8392 -1.0089 -0.0007 C 0 0 0
- 1.3408 1.3402 -0.0003 C 0 0 0
- -2.6970 0.3298 -0.0007 O 0 0 0
- 2.2634 0.3083 -0.0015 C 0 0 0
- 0.1750 -2.2917 0.0000 H 0 0 0
- -0.7003 1.8372 0.0000 H 0 0 0
- -2.2073 -1.5587 0.0000 H 0 0 0
- 2.5369 -1.7774 0.0000 H 0 0 0
- 1.6665 2.3258 0.0000 H 0 0 0
- 3.2788 0.5237 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56355-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.6884 -1.0583 0.1060 C 0 0 0
- -1.9040 -1.6524 -0.0202 O 0 0 0
- -0.1948 -0.7457 1.3648 C 0 0 0
- 0.0639 -0.7684 -1.0231 C 0 0 0
- -2.8238 -0.6577 -0.0613 C 0 0 0
- 1.0412 -0.1423 1.4903 C 0 0 0
- 1.2997 -0.1647 -0.8919 C 0 0 0
- -4.1387 -0.7457 -0.0714 N 0 0 0
- -2.5721 1.0599 -0.1062 S 0 0 0
- 1.7868 0.1504 0.3630 C 0 0 0
- -4.8960 0.3336 -0.1131 C 0 0 0
- -4.2912 1.5459 -0.1435 C 0 0 0
- 3.1351 0.8088 0.5030 C 0 0 0
- 4.1941 -0.0838 -0.0911 C 0 0 0
- 3.1267 2.1499 -0.2334 C 0 0 0
- 5.4801 0.3007 -0.0791 O 0 0 0
- 3.8856 -1.1457 -0.5782 O 0 0 0
- -0.6876 0.1367 0.0000 H 0 0 0
- 0.4678 -1.6949 0.0000 H 0 0 0
- 0.6345 0.7830 0.0000 H 0 0 0
- 1.7969 -1.0447 0.0000 H 0 0 0
- -5.9039 0.2583 0.0000 H 0 0 0
- -4.6999 2.4703 0.0000 H 0 0 0
- 4.0503 1.2378 0.0000 H 0 0 0
- 4.1374 2.1562 0.0000 H 0 0 0
- 3.1204 3.1606 0.0000 H 0 0 0
- 2.1160 2.1436 0.0000 H 0 0 0
- 6.4485 0.5902 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 7 10 2 0
- 11 12 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20020-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- 0.1438 -3.1346 0.0027 Cl 0 0 0
- 0.1691 -1.3988 0.0032 C 0 0 0
- 1.3948 -0.7101 0.0005 C 0 0 0
- -0.9995 -0.6965 0.0006 C 0 0 0
- 1.3960 0.7074 0.0004 C 0 0 0
- 2.6191 -1.3999 -0.0018 C 0 0 0
- -2.5108 -1.5507 -0.0020 Cl 0 0 0
- -0.9983 0.6983 0.0005 C 0 0 0
- 0.1716 1.3984 0.0032 C 0 0 0
- 2.6214 1.3953 -0.0019 C 0 0 0
- 3.7864 -0.7000 -0.0040 C 0 0 0
- -2.5081 1.5552 -0.0029 Cl 0 0 0
- 0.1495 3.1342 0.0032 Cl 0 0 0
- 3.7876 0.6937 -0.0040 C 0 0 0
- 2.6333 -2.4538 0.0000 H 0 0 0
- 2.6372 2.4491 0.0000 H 0 0 0
- 4.7033 -1.2198 0.0000 H 0 0 0
- 4.7053 1.2120 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 2 0
- 12 8 1 0
- 13 9 1 0
- 14 10 2 0
- 8 9 1 0
- 11 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 14 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151378-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 42 1 V2000
- 0.1601 0.1440 -0.1559 C 0 0 0
- -1.2248 0.0045 -0.2650 C 0 0 0
- 0.7195 1.4358 0.0356 C 0 0 0
- 1.2618 -0.8227 -0.1918 C 0 0 0
- -1.8070 -1.3630 -0.4798 C 0 0 2
- -2.0370 1.1145 -0.1832 C 0 0 0
- 2.1762 1.2879 0.1130 C 0 0 0
- -0.1279 2.5378 0.1105 C 0 0 0
- 2.4509 -0.0859 -0.0299 C 0 0 0
- 1.3588 -2.1973 -0.3406 C 0 0 0
- -3.2643 -1.5331 -0.0989 C 0 0 1
- -2.2020 -2.0008 0.7357 O 0 0 0
- -3.5317 0.9564 -0.2883 C 0 0 2
- -1.4918 2.3752 0.0006 C 0 0 0
- 3.2443 2.1542 0.2854 C 0 0 0
- 3.7493 -0.6515 -0.0094 C 0 0 0
- 2.6426 -2.7583 -0.3203 C 0 0 0
- -3.9614 -0.3031 0.4562 C 0 0 2
- -3.9035 0.8469 -1.6637 O 0 0 0
- 4.5296 1.5966 0.3023 C 0 0 0
- 3.7971 -2.0411 -0.1634 C 0 0 0
- 4.7950 0.2617 0.1623 C 0 0 0
- -3.6508 -0.1654 1.8442 O 0 0 0
- -0.8814 -1.8431 0.0000 H 0 0 0
- 0.2765 3.4989 0.0000 H 0 0 0
- 0.5069 -2.7986 0.0000 H 0 0 0
- -3.9635 -2.3066 0.0000 H 0 0 0
- -3.7347 1.9792 0.0000 H 0 0 0
- -2.1150 3.2112 0.0000 H 0 0 0
- 3.1029 3.1873 0.0000 H 0 0 0
- 2.7176 -3.7983 0.0000 H 0 0 0
- -4.9996 -0.4004 0.0000 H 0 0 0
- -4.9037 0.5523 0.0000 H 0 0 0
- 5.3411 2.2513 0.0000 H 0 0 0
- 4.7170 -2.5321 0.0000 H 0 0 0
- 5.7820 -0.0745 0.0000 H 0 0 0
- -2.6976 0.2572 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 13 19 1 0
- 15 20 1 0
- 16 21 1 0
- 16 22 1 0
- 18 23 1 0
- 7 9 1 0
- 8 14 2 0
- 11 12 1 0
- 13 18 1 0
- 17 21 2 0
- 20 22 2 0
- 5 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129927-37-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 59 1 V2000
- 0.0634 -1.8918 0.6520 C 0 0 0
- -0.6640 -2.7903 -0.3148 C 0 0 0
- 1.0386 -0.9983 -0.1172 C 0 0 0
- -0.9333 -1.0322 1.3860 C 0 0 0
- 0.7874 -2.6893 1.5910 O 0 0 0
- -0.4575 -4.1565 -0.2776 C 0 0 0
- -1.5421 -2.2487 -1.2351 C 0 0 0
- 1.7396 -0.0505 0.8580 C 0 0 0
- 2.0816 -1.8691 -0.8207 C 0 0 0
- -1.7300 -0.1957 0.7024 O 0 0 0
- -1.0152 -1.0960 2.5898 O 0 0 0
- -1.1248 -4.9808 -1.1645 C 0 0 0
- -2.2092 -3.0728 -2.1217 C 0 0 0
- 2.7148 0.8429 0.0888 C 0 0 0
- 3.0568 -0.9756 -1.5899 C 0 0 0
- -2.6027 0.7203 1.4149 C 0 0 0
- -1.9983 -4.4388 -2.0883 C 0 0 0
- 3.7578 -0.0278 -0.6146 C 0 0 0
- -3.3255 1.5620 0.4475 C 0 0 0
- -3.6080 -0.0772 2.2482 C 0 0 0
- -1.7657 1.6081 2.3380 C 0 0 0
- -3.9020 2.2333 -0.3241 C 0 0 0
- -4.6248 3.0749 -1.2915 C 0 0 0
- -5.5077 4.0017 -0.5706 N 0 0 0
- -6.1952 4.8075 -1.5884 C 0 0 0
- -7.1365 5.7999 -0.9028 C 0 0 0
- 12.4233 2.9126 -0.2785 Cl 0 0 0
- 0.3815 -0.4067 0.0000 H 0 0 0
- 1.3817 -3.3439 0.0000 H 0 0 0
- 0.3957 -4.3883 0.0000 H 0 0 0
- -1.6906 -1.3771 0.0000 H 0 0 0
- 1.4934 0.7987 0.0000 H 0 0 0
- 0.8693 0.1055 0.0000 H 0 0 0
- 1.4853 -2.5219 0.0000 H 0 0 0
- 2.7073 -2.4938 0.0000 H 0 0 0
- -0.9774 -5.8526 0.0000 H 0 0 0
- -3.0628 -2.8424 0.0000 H 0 0 0
- 3.3110 1.4957 0.0000 H 0 0 0
- 2.0891 1.4676 0.0000 H 0 0 0
- 3.3030 -1.8248 0.0000 H 0 0 0
- 3.9271 -1.1315 0.0000 H 0 0 0
- -2.7358 -4.9265 0.0000 H 0 0 0
- 4.4582 -0.5674 0.0000 H 0 0 0
- 4.3110 0.6619 0.0000 H 0 0 0
- -4.1575 0.6155 0.0000 H 0 0 0
- -4.3007 -0.6267 0.0000 H 0 0 0
- -3.0585 -0.7699 0.0000 H 0 0 0
- -1.1224 1.0016 0.0000 H 0 0 0
- -1.1592 2.2514 0.0000 H 0 0 0
- -2.4090 2.2146 0.0000 H 0 0 0
- -3.7588 3.2533 0.0000 H 0 0 0
- -4.3608 3.9187 0.0000 H 0 0 0
- -6.1643 3.4096 0.0000 H 0 0 0
- -5.3287 4.9834 0.0000 H 0 0 0
- -5.9291 5.6506 0.0000 H 0 0 0
- -6.4950 6.4084 0.0000 H 0 0 0
- -7.7450 6.4414 0.0000 H 0 0 0
- -7.7780 5.1914 0.0000 H 0 0 0
- 13.3074 2.9126 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 2 0
- 14 18 1 0
- 16 19 1 0
- 16 20 1 0
- 16 21 1 0
- 19 22 3 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 13 17 1 0
- 15 18 1 0
- 3 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 20 45 1 0
- 20 46 1 0
- 20 47 1 0
- 21 48 1 0
- 21 49 1 0
- 21 50 1 0
- 23 51 1 0
- 23 52 1 0
- 24 53 1 0
- 25 54 1 0
- 25 55 1 0
- 26 56 1 0
- 26 57 1 0
- 26 58 1 0
- 27 59 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2403-28-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.0411 -1.4603 -0.1165 C 0 0 0
- -2.0315 -0.5429 -0.0407 C 0 0 0
- 0.3632 -1.0295 -0.0844 C 0 0 0
- -3.4283 -0.9713 -0.0726 C 0 0 0
- 1.3898 -1.9786 -0.1628 C 0 0 0
- 0.6773 0.3316 0.0191 C 0 0 0
- -3.7002 -2.1542 -0.1676 O 0 0 0
- -4.5118 0.0323 0.0103 C 0 0 0
- 2.6949 -1.5756 -0.1327 C 0 0 0
- 1.9836 0.7294 0.0488 C 0 0 0
- -5.8470 -0.3736 -0.0200 C 0 0 0
- -4.2034 1.3892 0.1251 C 0 0 0
- 3.0053 -0.2192 -0.0238 C 0 0 0
- -6.8527 0.5676 0.0583 C 0 0 0
- -5.2184 2.3197 0.2024 C 0 0 0
- 4.4220 0.2153 0.0087 C 0 0 0
- -6.5402 1.9110 0.1666 C 0 0 0
- 4.8169 1.3660 -0.6723 C 0 0 0
- 5.3641 -0.5221 0.7253 C 0 0 0
- 6.1373 1.7658 -0.6380 C 0 0 0
- 6.6813 -0.1125 0.7523 C 0 0 0
- 7.0683 1.0275 0.0701 C 0 0 0
- -1.2717 -2.4689 0.0000 H 0 0 0
- -1.8009 0.4657 0.0000 H 0 0 0
- 1.1606 -2.9875 0.0000 H 0 0 0
- -0.0790 1.0376 0.0000 H 0 0 0
- 3.4532 -2.2794 0.0000 H 0 0 0
- 2.2158 1.7376 0.0000 H 0 0 0
- -6.0814 -1.3813 0.0000 H 0 0 0
- -3.2158 1.6976 0.0000 H 0 0 0
- -7.8426 0.2668 0.0000 H 0 0 0
- -4.9915 3.3292 0.0000 H 0 0 0
- -7.2974 2.6160 0.0000 H 0 0 0
- 4.0988 2.1109 0.0000 H 0 0 0
- 5.1775 -1.5398 0.0000 H 0 0 0
- 6.3309 2.7822 0.0000 H 0 0 0
- 7.4034 -0.8535 0.0000 H 0 0 0
- 8.0607 1.3199 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 18 16 2 0
- 19 16 1 0
- 20 18 1 0
- 21 19 2 0
- 22 20 2 0
- 10 13 1 0
- 15 17 1 0
- 21 22 1 0
- 1 23 1 0
- 2 24 1 0
- 5 25 1 0
- 6 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- -3.4868 -1.8298 0.3715 C 0 0 0
- -2.9833 -0.6372 0.9252 C 0 0 0
- -2.5777 -2.8478 -0.0097 C 0 0 0
- -4.8645 -2.0238 0.1866 C 0 0 0
- -3.9111 0.4733 1.3461 C 0 0 2
- -1.6309 -0.5149 1.0708 C 0 0 0
- -3.0769 -4.0405 -0.5632 C 0 0 0
- -1.2644 -2.6637 0.1596 N 0 0 0
- -5.3140 -3.1948 -0.3543 C 0 0 0
- -3.3550 1.8137 0.8612 C 0 0 1
- -4.0188 0.4897 2.7709 O 0 0 0
- -0.7923 -1.5549 0.6752 C 0 0 0
- -4.4173 -4.2018 -0.7250 C 0 0 0
- -6.6478 -3.3838 -0.5333 O 0 0 0
- -2.9267 1.6794 -0.5251 N 0 0 0
- -4.4347 2.8855 1.0061 C 0 0 0
- -6.8075 -4.6821 -1.1085 C 0 0 0
- -2.3749 2.9429 -0.9943 C 0 0 0
- -4.0596 1.2933 -1.3548 C 0 0 0
- -4.7261 3.4848 -0.3770 C 0 0 1
- -3.4148 4.0612 -0.9295 C 0 0 1
- -5.1686 2.3439 -1.3042 C 0 0 0
- -2.9217 5.1533 -0.0156 C 0 0 0
- -2.7520 6.3673 -0.4777 C 0 0 0
- 11.4219 0.2380 -0.4300 Cl 0 0 0
- 20.0309 -0.5159 0.1314 Cl 0 0 0
- -5.4884 -1.2397 0.0000 H 0 0 0
- -4.4028 -0.3997 0.0000 H 0 0 0
- -1.2398 0.4076 0.0000 H 0 0 0
- -2.4728 -4.8399 0.0000 H 0 0 0
- -2.8374 2.6717 0.0000 H 0 0 0
- -5.0094 0.6405 0.0000 H 0 0 0
- 0.2002 -1.4170 0.0000 H 0 0 0
- -4.7719 -5.1389 0.0000 H 0 0 0
- -5.4358 2.8443 0.0000 H 0 0 0
- -4.7973 1.9514 0.0000 H 0 0 0
- -7.8020 -4.5598 0.0000 H 0 0 0
- -6.9298 -5.6766 0.0000 H 0 0 0
- -5.8130 -4.8044 0.0000 H 0 0 0
- -1.5198 2.4205 0.0000 H 0 0 0
- -1.7409 3.7188 0.0000 H 0 0 0
- -4.8566 0.6860 0.0000 H 0 0 0
- -3.5882 0.4091 0.0000 H 0 0 0
- -5.4501 4.1775 0.0000 H 0 0 0
- -4.1198 4.7732 0.0000 H 0 0 0
- -6.0482 2.8238 0.0000 H 0 0 0
- -5.7580 1.5336 0.0000 H 0 0 0
- -1.9592 4.8750 0.0000 H 0 0 0
- -1.8233 6.7433 0.0000 H 0 0 0
- -3.5420 6.9836 0.0000 H 0 0 0
- 12.4239 0.2380 0.0000 H 0 0 0
- 21.0329 -0.5159 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 2 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 19 22 1 0
- 21 23 1 0
- 23 24 2 0
- 8 12 2 0
- 9 13 1 0
- 20 21 1 0
- 20 22 1 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 25 51 1 0
- 26 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-626-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.0002 -0.4333 -0.0001 C 0 0 0
- -1.0948 0.2578 -0.4842 C 0 0 0
- 1.0949 0.2580 0.4841 C 0 0 0
- -1.0948 1.6403 -0.4843 C 0 0 0
- -2.2883 -0.4957 -1.0124 C 0 0 0
- 1.0950 1.6401 0.4840 C 0 0 0
- 2.2883 -0.4955 1.0125 C 0 0 0
- -0.0003 2.3314 0.0002 C 0 0 0
- -3.4520 -0.7967 0.3315 Cl 0 0 0
- 3.4520 -0.7967 -0.3314 Cl 0 0 0
- -0.0002 -1.4046 0.0000 H 0 0 0
- -1.9455 2.1092 0.0000 H 0 0 0
- -2.4499 -1.4535 0.0000 H 0 0 0
- -1.4798 -1.0340 0.0000 H 0 0 0
- 1.9456 2.1091 0.0000 H 0 0 0
- 1.4797 -1.0338 0.0000 H 0 0 0
- 2.4498 -1.4533 0.0000 H 0 0 0
- -0.0004 3.3027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 6 8 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-542-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.7473 -0.6709 -0.2125 N 0 0 0
- -1.7955 -0.0593 0.6082 C 0 0 0
- 0.4353 -0.2794 -0.1094 C 0 0 0
- -2.8538 0.5686 -0.3010 C 0 0 0
- 1.9052 0.2071 0.0188 S 0 0 0
- -2.6040 -0.5160 0.0000 H 0 0 0
- -1.8020 -0.9879 0.0000 H 0 0 0
- -2.3800 1.3672 0.0000 H 0 0 0
- -3.6524 1.0424 0.0000 H 0 0 0
- -3.3276 -0.2300 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 2 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3114-70-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.4235 0.0000 0.3455 C 0 0 0
- -0.7359 -1.2492 -0.2090 C 0 0 0
- -0.7359 1.2492 -0.2090 C 0 0 0
- -2.8366 0.0000 -0.0558 N 0 0 0
- 0.7359 -1.2492 0.2090 C 0 0 0
- 0.7359 1.2492 0.2090 C 0 0 0
- 1.4235 0.0000 -0.3455 C 0 0 0
- 2.8366 0.0000 0.0558 N 0 0 0
- -0.3540 0.0000 0.0000 H 0 0 0
- -1.7457 -1.6013 0.0000 H 0 0 0
- -0.5574 -2.3036 0.0000 H 0 0 0
- -0.5574 2.3036 0.0000 H 0 0 0
- -1.7457 1.6013 0.0000 H 0 0 0
- -3.3713 0.9262 0.0000 H 0 0 0
- -3.3713 -0.9262 0.0000 H 0 0 0
- 0.5574 -2.3036 0.0000 H 0 0 0
- 1.7457 -1.6013 0.0000 H 0 0 0
- 1.7457 1.6013 0.0000 H 0 0 0
- 0.5574 2.3036 0.0000 H 0 0 0
- 0.3540 0.0000 0.0000 H 0 0 0
- 3.3713 -0.9262 0.0000 H 0 0 0
- 3.3713 0.9262 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120404-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 1.7050 0.5030 -0.1347 C 0 0 0
- 0.3407 0.5478 -0.1345 N 0 0 0
- 2.4455 1.6896 -0.1347 C 0 0 0
- 2.3662 -0.7300 -0.1292 C 0 0 0
- -0.3406 -0.5476 -0.1346 N 0 0 0
- 3.8214 1.6403 -0.1345 C 0 0 0
- 3.7420 -0.7710 -0.1291 C 0 0 0
- -1.7049 -0.5028 -0.1343 C 0 0 0
- 4.4754 0.4120 -0.1343 C 0 0 0
- -2.4456 -1.6897 -0.1344 C 0 0 0
- -2.3660 0.7298 -0.1282 C 0 0 0
- 5.8677 0.3663 -0.1341 N 0 0 0
- -3.8211 -1.6404 -0.1342 C 0 0 0
- -3.7422 0.7708 -0.1280 C 0 0 0
- 6.5582 -0.9258 -0.1340 C 0 0 0
- -4.4753 -0.4119 -0.1338 C 0 0 0
- 8.0708 -0.6957 -0.1337 C 0 0 0
- -5.8676 -0.3662 -0.1341 N 0 0 0
- 8.4402 0.0420 1.0331 O 0 0 0
- -6.5581 0.9259 -0.1338 C 0 0 0
- -8.0707 0.6958 -0.1341 C 0 0 0
- -8.4405 -0.0422 1.0323 O 0 0 0
- 1.9556 2.6114 0.0000 H 0 0 0
- 1.8169 -1.6176 0.0000 H 0 0 0
- 4.3747 2.5255 0.0000 H 0 0 0
- 4.2361 -1.6906 0.0000 H 0 0 0
- -1.9557 -2.6115 0.0000 H 0 0 0
- -1.8167 1.6175 0.0000 H 0 0 0
- 6.4190 1.2527 0.0000 H 0 0 0
- -4.3744 -2.5256 0.0000 H 0 0 0
- -4.2363 1.6903 0.0000 H 0 0 0
- 5.5878 -1.3106 0.0000 H 0 0 0
- 6.8308 -1.9334 0.0000 H 0 0 0
- 8.0143 -1.7380 0.0000 H 0 0 0
- 9.0798 -0.9632 0.0000 H 0 0 0
- -6.4189 -1.2526 0.0000 H 0 0 0
- 8.9076 0.9754 0.0000 H 0 0 0
- -5.5877 1.3107 0.0000 H 0 0 0
- -6.8307 1.9335 0.0000 H 0 0 0
- -8.0142 1.7381 0.0000 H 0 0 0
- -9.0797 0.9635 0.0000 H 0 0 0
- -8.9081 -0.9755 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 7 9 1 0
- 14 16 2 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1806-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.7403 -0.3356 -0.0411 C 0 0 0
- -0.7403 -0.3357 0.0408 C 0 0 0
- 1.4837 0.6011 0.6834 C 0 0 0
- 1.3973 -1.2725 -0.8357 C 0 0 0
- -1.4838 0.6010 -0.6834 C 0 0 0
- -1.3971 -1.2729 0.8354 C 0 0 0
- 2.8668 0.5937 0.6013 C 0 0 0
- 0.8520 1.5156 1.4647 O 0 0 0
- 2.7755 -1.2686 -0.9082 C 0 0 0
- -2.8669 0.5937 -0.6010 C 0 0 0
- -0.8523 1.5155 -1.4650 O 0 0 0
- -2.7753 -1.2688 0.9083 C 0 0 0
- 3.5082 -0.3368 -0.1941 C 0 0 0
- -3.5081 -0.3368 0.1947 C 0 0 0
- 0.9881 -2.0619 0.0000 H 0 0 0
- -0.9879 -2.0623 0.0000 H 0 0 0
- 3.2824 1.3798 0.0000 H 0 0 0
- 0.3466 2.2472 0.0000 H 0 0 0
- 3.1652 -2.0679 0.0000 H 0 0 0
- -3.2825 1.3798 0.0000 H 0 0 0
- -0.3470 2.2472 0.0000 H 0 0 0
- -3.1651 -2.0680 0.0000 H 0 0 0
- 4.3970 -0.3647 0.0000 H 0 0 0
- -4.3969 -0.3648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 9 13 1 0
- 12 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3671-78-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -2.3506 -0.3219 -0.2830 C 0 0 0
- -3.8283 -0.3545 -0.1548 C 0 0 0
- -1.8776 0.9238 0.1223 C 0 0 0
- -1.4450 -1.2943 -0.7146 C 0 0 0
- -4.2792 0.8700 0.3304 C 0 0 0
- -4.7526 -1.3638 -0.4325 C 0 0 0
- -3.0710 1.7509 0.5343 C 0 0 0
- -0.5282 1.1989 0.0935 C 0 0 0
- -0.0961 -1.0167 -0.7429 C 0 0 0
- -5.6261 1.0831 0.5350 C 0 0 0
- -6.0979 -1.1415 -0.2251 C 0 0 0
- 0.3692 0.2305 -0.3419 C 0 0 0
- -6.5362 0.0785 0.2582 C 0 0 0
- 1.7383 0.5088 -0.3720 N 0 0 0
- 2.6054 -0.3045 0.2629 C 0 0 0
- 4.0607 -0.0877 0.1218 C 0 0 0
- 2.1906 -1.2164 0.9514 O 0 0 0
- 4.9614 -0.9281 0.7779 C 0 0 0
- 4.5404 0.9552 -0.6728 C 0 0 0
- 6.3186 -0.7205 0.6416 C 0 0 0
- 5.8997 1.1517 -0.8005 C 0 0 0
- 6.7872 0.3180 -0.1431 C 0 0 0
- -1.7542 -2.2628 0.0000 H 0 0 0
- -4.4205 -2.3247 0.0000 H 0 0 0
- -2.4024 2.5168 0.0000 H 0 0 0
- -3.7577 2.5006 0.0000 H 0 0 0
- -0.2169 2.1667 0.0000 H 0 0 0
- 0.5653 -1.7888 0.0000 H 0 0 0
- -5.9641 2.0419 0.0000 H 0 0 0
- -6.7488 -1.9225 0.0000 H 0 0 0
- -7.5335 0.2761 0.0000 H 0 0 0
- 2.0158 1.4869 0.0000 H 0 0 0
- 4.6614 -1.8995 0.0000 H 0 0 0
- 3.9319 1.7697 0.0000 H 0 0 0
- 6.9333 -1.5302 0.0000 H 0 0 0
- 6.2053 2.1213 0.0000 H 0 0 0
- 7.7843 0.5164 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 2 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 13 31 1 0
- 14 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58-27-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.3811 0.7361 -0.0023 C 0 0 0
- -0.7754 -0.6139 -0.0016 C 0 0 0
- 1.0595 1.0702 -0.0012 C 0 0 0
- -1.3454 1.7368 0.0018 C 0 0 0
- 0.2591 -1.6707 0.0001 C 0 0 0
- -2.1267 -0.9383 -0.0021 C 0 0 0
- 2.0620 -0.0120 0.0006 C 0 0 0
- 1.4160 2.2316 -0.0022 O 0 0 0
- -2.6896 1.3974 0.0066 C 0 0 0
- 1.6865 -1.2980 0.0012 C 0 0 0
- -0.0654 -2.8414 0.0011 O 0 0 0
- -3.0769 0.0712 -0.0033 C 0 0 0
- 3.5288 0.3338 0.0017 C 0 0 0
- -1.0591 2.7390 0.0000 H 0 0 0
- -2.4248 -1.9370 0.0000 H 0 0 0
- -3.4129 2.1478 0.0000 H 0 0 0
- 2.4129 -2.0455 0.0000 H 0 0 0
- -4.0904 -0.1720 0.0000 H 0 0 0
- 3.7680 -0.6807 0.0000 H 0 0 0
- 4.5433 0.5730 0.0000 H 0 0 0
- 3.2896 1.3483 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 7 10 2 0
- 9 12 1 0
- 4 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-811-97-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.3871 0.0000 0.0349 C 0 0 0
- -0.8663 0.0005 0.9122 C 0 0 0
- 0.3910 1.1418 -0.7735 F 0 0 0
- 1.5255 0.0005 0.8481 F 0 0 0
- 0.3910 -1.1427 -0.7722 F 0 0 0
- -2.0047 0.0001 0.0989 F 0 0 0
- -0.4380 0.7421 0.0000 H 0 0 0
- -1.2946 0.7421 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26002-80-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- 4.7692 0.4581 -0.0189 C 0 0 0
- 3.6417 -0.5014 -0.4049 C 0 0 0
- 4.0299 -0.3291 1.0649 C 0 0 0
- 6.0997 -0.1938 -0.2939 C 0 0 0
- 2.3879 0.2851 -0.6888 C 0 0 0
- 4.7798 -1.4809 1.7372 C 0 0 0
- 3.0642 0.4441 1.9652 C 0 0 0
- 7.2089 0.4790 -0.1118 C 0 0 0
- 1.1864 -0.3015 -0.5707 O 0 0 0
- 2.4643 1.4438 -1.0228 O 0 0 0
- 7.1543 1.9049 0.3727 C 0 0 0
- 8.5395 -0.1729 -0.3868 C 0 0 0
- -0.0215 0.4563 -0.8442 C 0 0 0
- -1.2255 -0.4267 -0.6399 C 0 0 0
- -2.1795 -0.0864 0.2997 C 0 0 0
- -1.3773 -1.5736 -1.3968 C 0 0 0
- -3.2877 -0.8998 0.4873 C 0 0 0
- -2.4810 -2.3861 -1.2118 C 0 0 0
- -4.2277 -0.5671 1.4105 O 0 0 0
- -3.4348 -2.0535 -0.2699 C 0 0 0
- -5.1801 0.1513 0.7599 C 0 0 0
- -6.3511 0.5056 1.4141 C 0 0 0
- -4.9806 0.5369 -0.5582 C 0 0 0
- -7.3179 1.2360 0.7504 C 0 0 0
- -5.9503 1.2670 -1.2171 C 0 0 0
- -7.1192 1.6140 -0.5645 C 0 0 0
- 4.6552 1.3670 0.0000 H 0 0 0
- 3.5765 -1.4151 0.0000 H 0 0 0
- 6.1407 -1.1089 0.0000 H 0 0 0
- 4.0121 -1.9807 0.0000 H 0 0 0
- 5.2796 -2.2486 0.0000 H 0 0 0
- 5.5475 -0.9811 0.0000 H 0 0 0
- 3.6367 1.1592 0.0000 H 0 0 0
- 2.3491 1.0166 0.0000 H 0 0 0
- 2.4917 -0.2710 0.0000 H 0 0 0
- 8.0697 1.9400 0.0000 H 0 0 0
- 7.1192 2.8203 0.0000 H 0 0 0
- 6.2389 1.8698 0.0000 H 0 0 0
- 8.1365 -0.9955 0.0000 H 0 0 0
- 9.3621 -0.5759 0.0000 H 0 0 0
- 8.9425 0.6497 0.0000 H 0 0 0
- 0.5589 1.1650 0.0000 H 0 0 0
- -0.6517 1.1211 0.0000 H 0 0 0
- -2.3121 0.8200 0.0000 H 0 0 0
- -0.5888 -2.0398 0.0000 H 0 0 0
- -2.3445 -3.2919 0.0000 H 0 0 0
- -4.2137 -2.5356 0.0000 H 0 0 0
- -6.7663 -0.3109 0.0000 H 0 0 0
- -4.0875 0.7404 0.0000 H 0 0 0
- -8.2119 1.0362 0.0000 H 0 0 0
- -5.5379 2.0850 0.0000 H 0 0 0
- -7.4752 2.4580 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 19 21 1 0
- 21 22 2 0
- 21 23 1 0
- 22 24 1 0
- 23 25 2 0
- 24 26 2 0
- 2 3 1 0
- 18 20 2 0
- 25 26 1 0
- 1 27 1 0
- 2 28 1 0
- 4 29 1 0
- 6 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 7 35 1 0
- 11 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 15 44 1 0
- 16 45 1 0
- 18 46 1 0
- 20 47 1 0
- 22 48 1 0
- 23 49 1 0
- 24 50 1 0
- 25 51 1 0
- 26 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113393-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.6715 0.1341 -0.0035 C 0 0 0
- 0.8156 -1.3416 -0.0007 C 0 0 0
- 1.9668 0.6570 -0.0007 C 0 0 0
- -0.5032 0.8837 -0.0029 C 0 0 0
- -0.1933 -2.3076 -0.0020 C 0 0 0
- 2.1859 -1.6033 0.0036 C 0 0 0
- 2.8627 -0.3960 0.0036 C 0 0 0
- 2.3266 2.1204 -0.0024 C 0 0 0
- -1.8183 0.4052 0.0006 C 0 0 0
- -1.5650 -2.1033 -0.0061 C 0 0 0
- 0.2633 -3.7437 0.0010 C 0 0 0
- 3.7486 2.2613 0.0015 O 0 0 0
- -2.2722 -0.9170 0.0041 C 0 0 0
- -2.8714 1.4392 0.0009 C 0 0 0
- -4.3234 1.0359 0.0044 C 0 0 0
- -2.5395 2.7245 -0.0020 C 0 0 0
- -0.3887 1.9251 0.0000 H 0 0 0
- 2.6279 -2.5531 0.0000 H 0 0 0
- 3.9054 -0.2945 0.0000 H 0 0 0
- 2.3418 3.1679 0.0000 H 0 0 0
- 1.2875 2.2539 0.0000 H 0 0 0
- -2.1483 -2.9735 0.0000 H 0 0 0
- -0.7351 -4.0611 0.0000 H 0 0 0
- 0.5807 -4.7421 0.0000 H 0 0 0
- 1.2617 -3.4263 0.0000 H 0 0 0
- 4.7911 2.3646 0.0000 H 0 0 0
- -3.3142 -1.0252 0.0000 H 0 0 0
- -4.6038 2.0453 0.0000 H 0 0 0
- -5.3328 0.7555 0.0000 H 0 0 0
- -4.0430 0.0265 0.0000 H 0 0 0
- -1.5301 3.0048 0.0000 H 0 0 0
- -3.2870 3.4585 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 14 15 1 0
- 14 16 2 0
- 6 7 1 0
- 10 13 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6051-98-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.1013 0.0899 -0.0035 C 0 0 0
- -1.1748 -0.6682 -0.0024 C 0 0 0
- -0.1834 1.4555 -0.0010 C 0 0 0
- 1.4469 -0.3329 -0.0013 C 0 0 0
- -2.2403 0.2477 0.0009 C 0 0 0
- -1.4436 -2.0304 -0.0044 C 0 0 0
- -1.6588 1.6121 0.0019 C 0 0 0
- 0.8548 2.3969 -0.0018 C 0 0 0
- 2.4833 0.6363 -0.0027 C 0 0 0
- 1.7785 -1.6984 0.0027 C 0 0 0
- -3.5498 -0.2131 0.0026 C 0 0 0
- -2.7564 -2.4780 -0.0031 C 0 0 0
- -2.2737 2.6589 0.0052 O 0 0 0
- 2.1582 2.0032 -0.0052 C 0 0 0
- 3.8228 0.2093 0.0000 C 0 0 0
- 3.0867 -2.0736 0.0053 C 0 0 0
- -3.8024 -1.5767 0.0010 C 0 0 0
- 4.1060 -1.1219 0.0039 C 0 0 0
- -0.6560 -2.7191 0.0000 H 0 0 0
- 0.6249 3.4175 0.0000 H 0 0 0
- 1.0237 -2.4228 0.0000 H 0 0 0
- -4.3447 0.4671 0.0000 H 0 0 0
- -2.9553 -3.5051 0.0000 H 0 0 0
- 2.9198 2.7205 0.0000 H 0 0 0
- 4.5983 0.9116 0.0000 H 0 0 0
- 3.3312 -3.0908 0.0000 H 0 0 0
- -4.7894 -1.9238 0.0000 H 0 0 0
- 5.1039 -1.4361 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 15 18 2 0
- 5 7 1 0
- 9 14 1 0
- 12 17 1 0
- 16 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66194-68-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.0516 -0.1019 -0.0804 S 0 0 0
- -0.1978 0.1185 0.7604 O 0 0 0
- 2.2118 -0.8552 1.0931 C 0 0 0
- 0.6134 -1.0368 -1.0567 O 0 0 0
- 1.4386 1.2218 -0.4227 O 0 0 0
- -1.2240 0.5575 -0.1320 C 0 0 1
- -2.5205 -0.1961 0.1716 C 0 0 0
- -1.4519 2.0592 0.0521 C 0 0 0
- -2.2926 -1.6977 -0.0124 C 0 0 0
- 1.6477 -1.7240 0.0000 H 0 0 0
- 3.0806 -1.4193 0.0000 H 0 0 0
- 2.7759 0.0136 0.0000 H 0 0 0
- -1.1607 -0.4765 0.0000 H 0 0 0
- -2.9251 0.7575 0.0000 H 0 0 0
- -3.5172 -0.4783 0.0000 H 0 0 0
- -0.4277 2.2146 0.0000 H 0 0 0
- -1.6073 3.0834 0.0000 H 0 0 0
- -2.4761 1.9038 0.0000 H 0 0 0
- -3.3168 -1.8531 0.0000 H 0 0 0
- -2.1372 -2.7219 0.0000 H 0 0 0
- -1.2684 -1.5423 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 6 7 1 0
- 6 8 1 0
- 7 9 1 0
- 3 10 1 0
- 3 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-08-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.2195 -0.0001 0.0035 C 0 0 0
- 0.9105 -1.1971 0.0022 C 0 0 0
- 0.9109 1.1972 0.0023 C 0 0 0
- -1.2875 0.0000 -0.0001 C 0 0 0
- 2.2931 -1.1971 -0.0002 C 0 0 0
- 2.2930 1.1972 -0.0002 C 0 0 0
- -1.7538 1.3190 0.0019 F 0 0 0
- -1.7511 -0.6567 -1.1451 F 0 0 0
- -1.7566 -0.6623 1.1394 F 0 0 0
- 2.9842 -0.0002 -0.0015 C 0 0 0
- 0.3921 -2.0950 0.0000 H 0 0 0
- 0.3926 2.0951 0.0000 H 0 0 0
- 2.8115 -2.0950 0.0000 H 0 0 0
- 2.8114 2.0950 0.0000 H 0 0 0
- 4.0210 -0.0003 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 10 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75464-11-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.0038 -0.0019 0.7813 C 0 0 0
- -0.1957 -1.2568 0.6479 C 0 0 0
- -0.1987 1.2550 0.6494 C 0 0 0
- -2.1060 -0.0026 -0.2464 C 0 0 0
- 1.0751 -1.2633 0.0731 C 0 0 0
- -0.7293 -2.4484 1.1076 C 0 0 0
- 1.0698 1.2661 0.0696 C 0 0 0
- -0.7329 2.4439 1.1152 C 0 0 0
- -3.5471 -0.0033 0.1943 C 0 0 0
- -1.8344 -0.0027 -1.4231 O 0 0 0
- 1.6651 0.0020 -0.4094 C 0 0 0
- 1.7935 -2.4603 -0.0450 C 0 0 0
- -0.0186 -3.6296 0.9943 C 0 0 0
- 1.7845 2.4652 -0.0488 C 0 0 0
- -0.0255 3.6271 1.0022 C 0 0 0
- -4.4566 -0.0039 -1.0361 C 0 0 0
- 2.6094 0.0029 -1.1760 O 0 0 0
- 1.2373 -3.6428 0.4198 C 0 0 0
- 3.0265 -2.4626 -0.6105 O 0 0 0
- 1.2276 3.6451 0.4218 C 0 0 0
- 3.0148 2.4722 -0.6203 O 0 0 0
- -5.9197 -0.0046 -0.5887 C 0 0 0
- -1.4723 -0.8614 0.0000 H 0 0 0
- -1.7064 -2.5074 0.0000 H 0 0 0
- -1.7101 2.5009 0.0000 H 0 0 0
- -3.0581 0.8447 0.0000 H 0 0 0
- -4.0370 0.8441 0.0000 H 0 0 0
- -0.5048 -4.4792 0.0000 H 0 0 0
- -0.5146 4.4751 0.0000 H 0 0 0
- -4.9456 -0.8519 0.0000 H 0 0 0
- -3.9667 -0.8513 0.0000 H 0 0 0
- 1.7575 -4.4720 0.0000 H 0 0 0
- 4.0054 -2.4644 0.0000 H 0 0 0
- 1.7457 4.4756 0.0000 H 0 0 0
- 3.9937 2.4778 0.0000 H 0 0 0
- -5.9202 0.9743 0.0000 H 0 0 0
- -6.8986 -0.0051 0.0000 H 0 0 0
- -5.9192 -0.9835 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 2 0
- 12 18 2 0
- 12 19 1 0
- 14 20 2 0
- 14 21 1 0
- 16 22 1 0
- 7 11 1 0
- 13 18 1 0
- 15 20 1 0
- 1 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66267-19-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- -0.8066 -0.1915 -0.1399 C 0 0 0
- -2.2613 -0.3095 -0.2003 C 0 0 0
- -0.2288 1.1472 0.0067 C 0 0 0
- 0.0201 -1.3085 -0.2123 C 0 0 0
- -3.0358 0.8369 -0.1159 C 0 0 0
- -2.9145 -1.6207 -0.3481 C 0 0 0
- 1.1593 1.3045 0.0665 C 0 0 0
- -1.0963 2.2539 0.0849 C 0 0 0
- 1.4013 -1.1471 -0.1516 C 0 0 0
- -2.4433 2.0864 0.0247 C 0 0 0
- -4.5370 0.7105 -0.1799 C 0 0 2
- -4.1957 -1.7533 -0.0219 C 0 0 0
- 1.9789 0.1905 -0.0123 C 0 0 0
- 2.2895 -2.3053 -0.2252 C 0 0 0
- -4.9792 -0.5818 0.5030 C 0 0 1
- -4.9558 0.6946 -1.5461 O 0 0 0
- 3.4420 0.3222 0.0468 C 0 0 0
- 3.6263 -2.1529 -0.1685 C 0 0 0
- -4.7784 -0.4680 1.9133 O 0 0 0
- 4.2423 -0.8367 -0.0348 C 0 0 0
- 4.0458 1.5735 0.1809 C 0 0 0
- 5.6375 -0.7097 0.0217 C 0 0 0
- 5.4183 1.6656 0.2325 C 0 0 0
- 6.2054 0.5238 0.1538 C 0 0 0
- -0.3942 -2.2652 0.0000 H 0 0 0
- -2.3208 -2.4777 0.0000 H 0 0 0
- 1.5766 2.2599 0.0000 H 0 0 0
- -0.6988 3.2178 0.0000 H 0 0 0
- -3.0540 2.9314 0.0000 H 0 0 0
- -4.6005 1.7512 0.0000 H 0 0 0
- -4.6389 -2.6970 0.0000 H 0 0 0
- 1.8820 -3.2650 0.0000 H 0 0 0
- -6.0130 -0.7168 0.0000 H 0 0 0
- -5.9976 0.6550 0.0000 H 0 0 0
- 4.2349 -2.9994 0.0000 H 0 0 0
- -3.8713 0.0461 0.0000 H 0 0 0
- 3.4622 2.4374 0.0000 H 0 0 0
- 6.2391 -1.5612 0.0000 H 0 0 0
- 5.8719 2.6043 0.0000 H 0 0 0
- 7.2441 0.6134 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 17 20 2 0
- 17 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 1 0
- 18 20 1 0
- 23 24 1 0
- 4 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35287-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 81 1 V2000
- -5.5028 -0.3795 0.3918 C 0 0 0
- -5.3588 1.0293 -0.1237 C 0 0 0
- -4.8033 -0.5431 1.6188 O 0 0 0
- -6.9899 -0.6718 0.6215 C 0 0 0
- -4.9574 -1.3450 -0.6287 C 0 0 0
- -4.0880 1.6661 0.0516 C 0 0 0
- -6.3487 1.6708 -0.7394 C 0 0 0
- -3.4902 -0.2711 1.4706 C 0 0 0
- -7.7651 -0.3920 -0.6630 C 0 0 0
- -7.1547 -2.0431 0.9882 O 0 0 0
- -5.0137 -2.6664 -0.3998 O 0 0 0
- -4.4693 -0.9295 -1.6529 O 0 0 0
- -3.0602 0.8293 0.7130 C 0 0 0
- -3.8693 2.8070 -0.3151 O 0 0 0
- -7.6936 1.0848 -1.0236 C 0 0 0
- -6.1224 2.9398 -1.1346 O 0 0 0
- -2.5415 -1.0844 2.0784 C 0 0 0
- -7.1785 -1.2251 -1.8044 C 0 0 0
- -4.3457 -3.5884 -1.3009 C 0 0 0
- -1.7024 1.1207 0.5868 C 0 0 0
- -1.1968 -0.8059 1.9512 C 0 0 0
- -0.7639 0.2943 1.2131 C 0 0 0
- -1.2961 2.1942 -0.1360 O 0 0 0
- 0.6849 0.5873 1.0927 C 0 0 0
- 1.3997 0.1498 -0.0271 C 0 0 0
- 1.3396 1.3052 2.0923 C 0 0 0
- 2.7608 0.4369 -0.1225 C 0 0 0
- 0.7755 -0.5469 -1.0095 O 0 0 0
- 2.6848 1.5915 1.9887 C 0 0 0
- 3.4119 1.1685 0.8827 C 0 0 0
- 3.5658 -0.0403 -1.2706 C 0 0 0
- 4.7205 1.4788 0.7786 O 0 0 0
- 4.9779 -0.0891 -1.0381 C 0 0 0
- 3.0646 -0.3668 -2.3318 O 0 0 0
- 5.4756 0.3700 0.3080 C 0 0 0
- 5.7964 -0.5220 -1.9942 C 0 0 0
- 6.9446 0.7878 0.1769 C 0 0 0
- 5.3639 -0.7658 1.2921 C 0 0 0
- 7.2785 -0.6467 -1.8520 C 0 0 0
- 5.2491 -0.8736 -3.1750 O 0 0 0
- 7.7458 -0.3593 -0.4325 C 0 0 0
- 7.0396 1.9365 -0.6677 O 0 0 0
- 5.9992 -1.9242 1.0549 O 0 0 0
- 4.7025 -0.6338 2.2946 O 0 0 0
- 9.2309 0.0081 -0.4488 C 0 0 0
- 5.8916 -3.0186 2.0030 C 0 0 0
- -6.9224 0.2124 0.0000 H 0 0 0
- -8.6167 -0.6392 0.0000 H 0 0 0
- -7.2605 -2.9235 0.0000 H 0 0 0
- -7.9197 1.9422 0.0000 H 0 0 0
- -8.5755 0.9921 0.0000 H 0 0 0
- -5.9667 3.8128 0.0000 H 0 0 0
- -2.7628 -1.9431 0.0000 H 0 0 0
- -7.9035 -1.7356 0.0000 H 0 0 0
- -6.6680 -1.9501 0.0000 H 0 0 0
- -6.4535 -0.7146 0.0000 H 0 0 0
- -5.0638 -4.1087 0.0000 H 0 0 0
- -3.8254 -4.3065 0.0000 H 0 0 0
- -3.6276 -3.0681 0.0000 H 0 0 0
- -0.6255 -1.4841 0.0000 H 0 0 0
- -0.9822 3.0235 0.0000 H 0 0 0
- 0.8986 2.0745 0.0000 H 0 0 0
- 0.1838 -1.2073 0.0000 H 0 0 0
- 2.8248 2.4671 0.0000 H 0 0 0
- 7.8007 1.0188 0.0000 H 0 0 0
- 6.9367 -1.4649 0.0000 H 0 0 0
- 7.9524 -1.2231 0.0000 H 0 0 0
- 4.5031 -1.3529 0.0000 H 0 0 0
- 8.0886 -1.1771 0.0000 H 0 0 0
- 7.1127 2.8202 0.0000 H 0 0 0
- 9.4438 -0.8527 0.0000 H 0 0 0
- 10.0917 0.2210 0.0000 H 0 0 0
- 9.0180 0.8689 0.0000 H 0 0 0
- 5.0091 -2.9318 0.0000 H 0 0 0
- 5.8048 -3.9011 0.0000 H 0 0 0
- 6.7741 -3.1054 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 13 20 1 0
- 17 21 2 0
- 20 22 2 0
- 20 23 1 0
- 22 24 1 0
- 24 25 2 0
- 24 26 1 0
- 25 27 1 0
- 25 28 1 0
- 26 29 2 0
- 27 30 2 0
- 27 31 1 0
- 30 32 1 0
- 31 33 1 0
- 31 34 2 0
- 32 35 1 0
- 33 36 2 0
- 35 37 1 0
- 35 38 1 0
- 36 39 1 0
- 36 40 1 0
- 37 41 1 0
- 37 42 1 0
- 38 43 1 0
- 38 44 2 0
- 41 45 1 0
- 43 46 1 0
- 8 13 2 0
- 9 15 1 0
- 21 22 1 0
- 29 30 1 0
- 33 35 1 0
- 39 41 1 0
- 4 47 1 0
- 9 48 1 0
- 10 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 18 56 1 0
- 19 57 1 0
- 19 58 1 0
- 19 59 1 0
- 21 60 1 0
- 23 61 1 0
- 26 62 1 0
- 28 63 1 0
- 29 64 1 0
- 37 65 1 0
- 39 66 1 0
- 39 67 1 0
- 40 68 1 0
- 41 69 1 0
- 42 70 1 0
- 45 71 1 0
- 45 72 1 0
- 45 73 1 0
- 46 74 1 0
- 46 75 1 0
- 46 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2783-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 41 1 V2000
- -4.0975 0.9701 0.2765 C 0 0 0
- -5.1675 1.8967 0.2363 C 0 0 0
- -2.7902 1.4198 0.7538 C 0 0 0
- -4.3104 -0.3511 -0.1327 C 0 0 0
- -6.4261 1.4712 -0.2210 C 0 0 0
- -4.9532 3.2226 0.6539 C 0 0 0
- -1.7377 0.5621 0.8074 N 0 0 0
- -2.6475 2.7516 1.1530 C 0 0 0
- -5.5461 -0.7319 -0.5658 C 0 0 0
- -6.5976 0.1795 -0.6172 C 0 0 0
- -3.7323 3.6251 1.0953 C 0 0 0
- -0.5990 0.9064 0.3084 N 0 0 0
- -1.4465 3.1965 1.6004 O 0 0 0
- -8.1777 -0.3501 -1.1896 S 0 0 0
- 0.4595 0.0437 0.3623 C 0 0 0
- -8.1773 -0.1205 -2.5919 O 0 0 0
- -8.4163 -1.6021 -0.5612 O 0 0 0
- -9.2136 0.6053 -0.6145 O 0 0 0
- 1.6947 0.4132 -0.1772 C 0 0 0
- 0.3138 -1.2103 0.9625 C 0 0 0
- 2.7584 -0.4628 -0.1191 C 0 0 0
- 1.3863 -2.0754 1.0130 C 0 0 0
- 2.6050 -1.7047 0.4715 C 0 0 0
- 3.9696 -2.8172 0.5404 S 0 0 0
- 4.6381 -2.5330 1.7617 O 0 0 0
- 3.4532 -4.0856 0.1612 O 0 0 0
- 4.9382 -2.4182 -0.5637 O 0 0 0
- 14.0948 0.6663 -0.5075 Na 0 3 0
- 22.4521 2.7574 -1.3926 Na 0 3 0
- -3.5531 -1.0098 0.0000 H 0 0 0
- -7.2012 2.1088 0.0000 H 0 0 0
- -5.7168 3.8740 0.0000 H 0 0 0
- -5.7530 -1.7140 0.0000 H 0 0 0
- -3.5529 4.6126 0.0000 H 0 0 0
- -0.5053 3.5452 0.0000 H 0 0 0
- 1.8932 1.3970 0.0000 H 0 0 0
- -0.6152 -1.5902 0.0000 H 0 0 0
- 3.6907 -0.0910 0.0000 H 0 0 0
- 1.1950 -3.0607 0.0000 H 0 0 0
- -9.9514 1.2858 0.0000 H 0 0 0
- 5.8662 -2.0359 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 15 20 1 0
- 19 21 1 0
- 20 22 2 0
- 21 23 2 0
- 23 24 1 0
- 24 25 2 0
- 24 26 2 0
- 24 27 1 0
- 8 11 2 0
- 9 10 1 0
- 22 23 1 0
- 4 30 1 0
- 5 31 1 0
- 6 32 1 0
- 9 33 1 0
- 11 34 1 0
- 13 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 18 40 1 0
- 27 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16048-37-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -2.2391 0.8047 0.0675 C 0 0 0
- -3.0853 -0.1806 0.6042 C 0 0 0
- -0.8799 0.4382 -0.3834 C 0 0 0
- -2.6951 2.1269 -0.0406 C 0 0 0
- -2.6064 -1.5767 0.7128 C 0 0 0
- -4.3655 0.1630 1.0286 C 0 0 0
- -0.5358 -0.9908 -0.5514 C 0 0 0
- -0.0553 1.3004 -0.6137 O 0 0 0
- -3.9874 2.4472 0.3874 C 0 0 0
- -1.8892 3.0867 -0.5556 N 0 3 0
- -1.3818 -1.9783 -0.0134 C 0 0 0
- -3.2116 -2.3832 1.3906 O 0 0 0
- -4.8050 1.4726 0.9218 C 0 0 0
- 0.6156 -1.3664 -1.2352 C 0 0 0
- -1.2745 3.8189 -0.9485 N 0 0 0
- -1.0600 -3.3222 -0.1702 C 0 0 0
- 0.9213 -2.7086 -1.3824 C 0 0 0
- 0.0900 -3.6791 -0.8538 C 0 0 0
- 11.5381 0.5885 0.5514 Cl 0 0 0
- -5.0332 -0.5471 0.0000 H 0 0 0
- -4.2893 3.3739 0.0000 H 0 0 0
- -5.7627 1.6539 0.0000 H 0 0 0
- 1.3356 -0.7094 0.0000 H 0 0 0
- -1.7715 -3.9883 0.0000 H 0 0 0
- 1.8675 -2.9423 0.0000 H 0 0 0
- 0.3601 -4.6156 0.0000 H 0 0 0
- 12.5128 0.5885 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 10 15 3 0
- 11 16 1 0
- 14 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 6 20 1 0
- 9 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 19 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2461-43-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.4910 -1.3316 0.6359 C 0 0 0
- -0.7422 -0.9750 0.1105 C 0 0 0
- 1.2481 -0.3630 1.5074 C 0 0 0
- 1.0221 -2.5778 0.3641 C 0 0 0
- -1.2689 0.2485 0.3803 O 0 0 0
- -1.4370 -1.8692 -0.6912 C 0 0 0
- 2.1440 0.4915 0.6482 C 0 0 0
- 0.3255 -3.4690 -0.4307 C 0 0 0
- -2.5274 0.3140 -0.2935 C 0 0 0
- -0.8994 -3.1119 -0.9643 C 0 0 0
- 1.6732 1.6835 0.1306 C 0 0 0
- 3.4386 0.0858 0.3822 C 0 0 0
- -3.1769 1.6739 -0.0295 C 0 0 0
- 2.4951 2.4674 -0.6577 C 0 0 0
- 4.2603 0.8695 -0.4059 C 0 0 0
- -4.5244 1.7441 -0.7508 C 0 0 0
- -4.4194 1.4844 0.6504 O 0 0 0
- 3.7875 2.0590 -0.9283 C 0 0 0
- 0.9771 0.5563 0.0000 H 0 0 0
- 0.3066 -0.1835 0.0000 H 0 0 0
- 1.9724 -2.7023 0.0000 H 0 0 0
- -2.3879 -1.7486 0.0000 H 0 0 0
- 0.6196 -4.3812 0.0000 H 0 0 0
- -3.4486 0.0494 0.0000 H 0 0 0
- -2.4185 -0.6383 0.0000 H 0 0 0
- -1.5336 -3.8305 0.0000 H 0 0 0
- 0.7371 1.8893 0.0000 H 0 0 0
- 3.6562 -0.8476 0.0000 H 0 0 0
- -2.6447 2.4711 0.0000 H 0 0 0
- 2.2786 3.4011 0.0000 H 0 0 0
- 5.1966 0.6647 0.0000 H 0 0 0
- -4.6138 2.6984 0.0000 H 0 0 0
- -5.4557 1.5174 0.0000 H 0 0 0
- 4.4403 2.7608 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 1 0
- 14 18 2 0
- 8 10 1 0
- 15 18 1 0
- 16 17 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2693-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.5272 0.1939 0.0033 C 0 0 0
- 0.1156 -1.1209 0.0030 C 0 0 0
- 0.3076 1.1841 0.0020 C 0 0 0
- -1.9841 0.3315 -0.0009 C 0 0 0
- 1.5593 -0.8393 0.0000 C 0 0 0
- -0.6566 -2.1808 0.0049 C 0 0 0
- 1.6750 0.6403 0.0009 C 0 0 0
- -0.2649 2.5457 0.0013 C 0 0 0
- -2.7675 -0.9160 -0.0041 C 0 0 0
- -2.4940 1.5397 -0.0020 C 0 0 0
- 2.6365 -1.5835 -0.0030 C 0 0 0
- -2.1230 -2.0672 0.0069 C 0 0 0
- 2.8635 1.1976 0.0005 C 0 0 0
- -1.5754 2.6980 0.0021 C 0 0 0
- -4.1220 -0.8818 -0.0074 N 0 0 0
- 3.9690 -0.9532 -0.0036 C 0 0 0
- 4.0745 0.3587 -0.0027 C 0 0 0
- -0.1971 -3.1776 0.0000 H 0 0 0
- 0.3943 3.4233 0.0000 H 0 0 0
- -3.5815 1.6880 0.0000 H 0 0 0
- 2.5473 -2.6775 0.0000 H 0 0 0
- -2.7142 -2.9919 0.0000 H 0 0 0
- 2.9552 2.2913 0.0000 H 0 0 0
- -1.9950 3.7122 0.0000 H 0 0 0
- -4.6466 0.0823 0.0000 H 0 0 0
- -4.6946 -1.8182 0.0000 H 0 0 0
- 4.8720 -1.5771 0.0000 H 0 0 0
- 5.0664 0.8285 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 5 7 1 0
- 9 12 2 0
- 10 14 1 0
- 16 17 2 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5422-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.6783 -0.3366 0.0316 C 0 0 0
- -1.8110 0.6056 0.3478 C 0 0 0
- 0.5754 0.1388 -0.1054 N 0 0 0
- -0.8939 -1.5234 -0.0947 O 0 0 0
- -1.9311 1.6500 -0.7639 C 0 0 0
- -3.0315 -0.1316 0.4426 O 0 0 0
- 1.6766 -0.7772 -0.4128 C 0 0 0
- 2.9833 0.0121 -0.5144 C 0 0 0
- 3.2418 0.6675 0.7290 O 0 0 0
- -0.8984 1.0991 0.0000 H 0 0 0
- 0.7465 1.1621 0.0000 H 0 0 0
- -0.9004 1.7685 0.0000 H 0 0 0
- -2.0496 2.6807 0.0000 H 0 0 0
- -2.9618 1.5315 0.0000 H 0 0 0
- -3.9196 -0.6680 0.0000 H 0 0 0
- 0.9287 -1.4963 0.0000 H 0 0 0
- 2.3083 -1.6003 0.0000 H 0 0 0
- 3.2269 -0.9964 0.0000 H 0 0 0
- 4.0183 -0.0598 0.0000 H 0 0 0
- 3.6225 1.6326 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.3196 0.3027 0.0391 C 0 0 0
- 0.0137 -0.1399 -0.6240 C 0 0 0
- 2.4893 -0.4726 -0.5706 C 0 0 0
- 1.5260 1.8012 -0.1908 C 0 0 0
- -1.1560 0.6354 -0.0143 C 0 0 0
- 3.7756 -0.0367 0.0825 C 0 0 0
- -2.4423 0.1995 -0.6674 C 0 0 0
- 4.4570 -0.8415 0.6709 O 0 0 0
- -3.4390 -0.2262 0.0684 C 0 0 0
- -4.0857 0.6974 1.0683 C 0 0 0
- -3.9390 -1.6396 -0.0850 C 0 0 0
- 1.1873 -0.7151 0.0000 H 0 0 0
- -0.7261 -0.8514 0.0000 H 0 0 0
- 0.5470 -1.0169 0.0000 H 0 0 0
- 1.7495 -1.1841 0.0000 H 0 0 0
- 3.0225 -1.3496 0.0000 H 0 0 0
- 2.5428 1.6612 0.0000 H 0 0 0
- 1.6660 2.8180 0.0000 H 0 0 0
- 0.5092 1.9412 0.0000 H 0 0 0
- -0.4162 1.3469 0.0000 H 0 0 0
- -1.6892 1.5124 0.0000 H 0 0 0
- 4.0501 0.9523 0.0000 H 0 0 0
- -2.8089 1.1582 0.0000 H 0 0 0
- -3.2449 1.2861 0.0000 H 0 0 0
- -4.6744 1.5382 0.0000 H 0 0 0
- -4.9265 0.1087 0.0000 H 0 0 0
- -4.9066 -1.2973 0.0000 H 0 0 0
- -4.2813 -2.6072 0.0000 H 0 0 0
- -2.9714 -1.9819 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 2 0
- 7 9 2 0
- 9 10 1 0
- 9 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94055-76-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 67 1 V2000
- -8.4556 -0.3071 -0.7336 C 0 0 0
- -8.9532 -1.2303 0.1766 C 0 0 0
- -7.1747 -0.4600 -1.2467 C 0 0 0
- -9.2481 0.7752 -1.1383 N 0 0 0
- -8.1738 -2.2997 0.5706 C 0 0 0
- -6.3962 -1.5302 -0.8516 C 0 0 0
- -9.7793 1.6032 -0.2171 C 0 0 0
- -6.8938 -2.4520 0.0575 C 0 0 0
- -10.7341 2.6892 -0.6413 C 0 0 0
- -9.4888 1.4742 0.9535 O 0 0 0
- -6.1266 -3.5051 0.4464 O 0 0 0
- -11.1860 3.4798 0.5882 C 0 0 0
- -4.8818 -3.3870 -0.2454 C 0 0 0
- -12.3353 4.7870 0.0775 S 0 3 0
- -3.9668 -4.5479 0.1495 C 0 0 0
- -13.8436 3.8067 -0.1563 C 0 0 0
- -12.6945 5.5380 1.6892 C 0 0 0
- -2.6340 -4.4215 -0.5911 C 0 0 0
- -3.7337 -4.5125 1.5589 O 0 0 0
- -1.7794 -5.5057 -0.2223 O 0 0 0
- -0.5577 -5.3322 -0.9429 C 0 0 0
- 0.4071 -6.4665 -0.5916 C 0 0 0
- 13.8084 1.2708 0.0436 C 0 0 0
- 13.3265 0.3510 0.9564 C 0 0 0
- 15.0816 1.1278 -0.4750 C 0 0 0
- 12.7968 2.6212 -0.4642 S 0 0 0
- 14.1179 -0.7115 1.3503 C 0 0 0
- 15.8732 0.0650 -0.0810 C 0 0 0
- 13.0715 3.6742 0.4495 O 0 0 0
- 12.9376 2.6996 -1.8760 O 0 0 0
- 11.3489 2.2241 -0.2144 O 0 0 0
- 15.3914 -0.8545 0.8316 C 0 0 0
- 16.2541 -2.0132 1.2607 C 0 0 0
- -9.9185 -1.2958 0.0000 H 0 0 0
- -6.6853 0.3746 0.0000 H 0 0 0
- -10.0459 0.2279 0.0000 H 0 0 0
- -8.6627 -3.1346 0.0000 H 0 0 0
- -5.4309 -1.4655 0.0000 H 0 0 0
- -11.6997 2.6283 0.0000 H 0 0 0
- -11.1049 1.7956 0.0000 H 0 0 0
- -10.2204 3.5407 0.0000 H 0 0 0
- -10.8152 4.3734 0.0000 H 0 0 0
- -4.0221 -2.9432 0.0000 H 0 0 0
- -5.1543 -2.4587 0.0000 H 0 0 0
- -4.3475 -5.4374 0.0000 H 0 0 0
- -14.3708 4.6179 0.0000 H 0 0 0
- -14.6548 3.2795 0.0000 H 0 0 0
- -13.3164 2.9955 0.0000 H 0 0 0
- -11.8217 5.9555 0.0000 H 0 0 0
- -13.1120 6.4108 0.0000 H 0 0 0
- -13.5673 5.1205 0.0000 H 0 0 0
- -1.7743 -3.9777 0.0000 H 0 0 0
- -2.9065 -3.4932 0.0000 H 0 0 0
- -2.7772 -4.3672 0.0000 H 0 0 0
- 0.2834 -4.8541 0.0000 H 0 0 0
- -0.8703 -4.4166 0.0000 H 0 0 0
- -0.3299 -7.0933 0.0000 H 0 0 0
- 1.0339 -7.2035 0.0000 H 0 0 0
- 1.1441 -5.8397 0.0000 H 0 0 0
- 12.3620 0.2748 0.0000 H 0 0 0
- 15.5634 1.9668 0.0000 H 0 0 0
- 13.6362 -1.5505 0.0000 H 0 0 0
- 16.8377 0.1411 0.0000 H 0 0 0
- 15.4781 -2.5910 0.0000 H 0 0 0
- 16.8319 -2.7892 0.0000 H 0 0 0
- 17.0301 -1.4354 0.0000 H 0 0 0
- 10.4159 1.9682 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 23 24 1 0
- 23 25 2 0
- 23 26 1 0
- 24 27 2 0
- 25 28 1 0
- 26 29 2 0
- 26 30 2 0
- 26 31 1 0
- 27 32 1 0
- 32 33 1 0
- 6 8 2 0
- 28 32 2 0
- 2 34 1 0
- 3 35 1 0
- 4 36 1 0
- 5 37 1 0
- 6 38 1 0
- 9 39 1 0
- 9 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 15 45 1 0
- 16 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 19 54 1 0
- 21 55 1 0
- 21 56 1 0
- 22 57 1 0
- 22 58 1 0
- 22 59 1 0
- 24 60 1 0
- 25 61 1 0
- 27 62 1 0
- 28 63 1 0
- 33 64 1 0
- 33 65 1 0
- 33 66 1 0
- 31 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-555-77-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.0517 0.4261 0.6405 N 0 0 0
- -1.2448 0.6429 -0.1887 C 0 0 0
- 0.0288 -1.0185 0.8949 C 0 0 0
- 1.1087 0.7737 -0.1904 C 0 0 0
- -2.4078 1.0914 0.6985 C 0 0 0
- 0.1540 -1.7643 -0.4351 C 0 0 0
- 2.2523 1.2533 0.7058 C 0 0 0
- -3.8721 1.3574 -0.3192 Cl 0 0 0
- 0.2528 -3.5373 -0.1229 Cl 0 0 0
- 3.6766 1.6800 -0.3141 Cl 0 0 0
- -1.9340 0.0112 0.0000 H 0 0 0
- -0.9855 -0.2553 0.0000 H 0 0 0
- -0.8205 -0.6279 0.0000 H 0 0 0
- -0.7137 -1.5865 0.0000 H 0 0 0
- 0.9255 -0.1430 0.0000 H 0 0 0
- 1.8324 0.1819 0.0000 H 0 0 0
- -1.7186 1.7231 0.0000 H 0 0 0
- -2.6672 1.9896 0.0000 H 0 0 0
- 1.0033 -2.1549 0.0000 H 0 0 0
- 0.8965 -1.1963 0.0000 H 0 0 0
- 2.4354 2.1700 0.0000 H 0 0 0
- 1.5286 1.8451 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13345-62-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.8191 0.3844 -0.0833 C 0 0 0
- 0.0399 -0.8212 -0.3701 C 0 0 0
- 2.2816 0.2716 0.0118 C 0 0 0
- 0.1871 1.6050 0.0884 C 0 0 0
- -1.3454 -0.7504 -0.4674 C 0 0 0
- 0.7353 -2.0939 -0.5522 C 0 0 0
- 2.8896 -0.9877 -0.1748 C 0 0 0
- 3.0717 1.3900 0.2827 C 0 0 0
- -1.2049 1.6830 -0.0135 C 0 0 0
- 0.9956 2.8419 0.3840 C 0 0 0
- -1.9886 0.4766 -0.2901 C 0 0 0
- -2.1485 -1.9911 -0.7621 C 0 0 0
- 2.0768 -2.1658 -0.4591 C 0 0 0
- 4.2847 -1.0933 -0.0837 C 0 0 0
- 4.4390 1.2541 0.3655 C 0 0 0
- -1.8812 2.9078 0.1549 C 0 0 0
- -3.3913 0.5857 -0.3812 C 0 0 0
- -2.6017 -2.7956 0.7865 Cl 0 0 0
- 5.0367 0.0137 0.1825 C 0 0 0
- -3.2353 2.9459 0.0483 C 0 0 0
- -3.9824 1.7958 -0.2024 C 0 0 0
- 0.1794 -2.9764 0.0000 H 0 0 0
- 2.6385 2.3388 0.0000 H 0 0 0
- 1.8686 2.2712 0.0000 H 0 0 0
- 1.5663 3.7149 0.0000 H 0 0 0
- 0.1226 3.4126 0.0000 H 0 0 0
- -2.6423 -1.0724 0.0000 H 0 0 0
- -3.1914 -1.9808 0.0000 H 0 0 0
- 2.5367 -3.1019 0.0000 H 0 0 0
- 4.7377 -2.0328 0.0000 H 0 0 0
- 5.0368 2.1087 0.0000 H 0 0 0
- -1.3385 3.7985 0.0000 H 0 0 0
- -3.9776 -0.2769 0.0000 H 0 0 0
- 6.0768 -0.0632 0.0000 H 0 0 0
- -3.7200 3.8694 0.0000 H 0 0 0
- -5.0235 1.8592 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 13 2 0
- 9 11 1 0
- 15 19 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-589-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.8174 0.0060 -0.6249 C 0 0 0
- -1.1375 -1.1923 -0.5138 C 0 0 0
- -1.1362 1.2023 -0.4966 C 0 0 0
- -3.3005 0.0085 -0.8923 C 0 0 0
- 0.2240 -1.1951 -0.2742 C 0 0 0
- 0.2248 1.2004 -0.2571 C 0 0 0
- -4.1935 -0.0064 0.6739 Cl 0 0 0
- 0.9058 0.0013 -0.1457 C 0 0 0
- 2.7680 -0.0018 0.1827 Br 0 0 0
- -1.6582 -2.0842 0.0000 H 0 0 0
- -1.6546 2.0955 0.0000 H 0 0 0
- -2.7881 0.9052 0.0000 H 0 0 0
- -3.8263 0.8974 0.0000 H 0 0 0
- 0.7420 -2.0886 0.0000 H 0 0 0
- 0.7450 2.0926 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-522-06-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.1610 0.7421 -0.1533 C 0 0 0
- -0.0488 -0.6597 -0.1441 C 0 0 0
- 1.4814 1.2376 -0.1407 C 0 0 0
- -0.9391 1.6153 -0.1689 C 0 0 0
- -1.3693 -1.1523 -0.1531 C 0 0 0
- 0.9895 -1.5023 -0.1261 N 0 0 0
- 2.5199 0.3114 -0.1195 C 0 0 0
- 1.7304 2.5702 -0.1485 O 0 0 0
- -2.2090 1.1142 -0.1721 C 0 0 0
- -2.4300 -0.2717 -0.1707 C 0 0 0
- -1.5968 -2.4934 -0.1449 O 0 0 0
- 2.2368 -1.0718 -0.1132 C 0 0 0
- 3.9848 0.4157 -0.1001 C 0 0 0
- 1.9189 2.9632 1.2124 C 0 0 0
- -3.4211 1.7450 -0.1856 O 0 0 0
- -3.7788 -0.4935 -0.1813 O 0 0 0
- -1.6792 -2.8900 1.2255 C 0 0 0
- 3.4240 -1.7146 -0.0934 O 0 0 0
- 4.4468 -0.8401 -0.0854 C 0 0 0
- -4.3761 0.7534 0.2342 C 0 0 0
- -0.7884 2.6293 0.0000 H 0 0 0
- 4.5411 1.2768 0.0000 H 0 0 0
- 2.8433 2.5198 0.0000 H 0 0 0
- 2.3623 3.8876 0.0000 H 0 0 0
- 0.9945 3.4066 0.0000 H 0 0 0
- -2.6830 -2.6815 0.0000 H 0 0 0
- -1.8877 -3.8938 0.0000 H 0 0 0
- -0.6754 -3.0985 0.0000 H 0 0 0
- 5.4387 -1.0991 0.0000 H 0 0 0
- -5.0247 1.5473 0.0000 H 0 0 0
- -5.2415 0.2037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 15 20 1 0
- 7 12 1 0
- 9 10 2 0
- 16 20 1 0
- 18 19 1 0
- 4 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1768-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.2375 -0.8344 0.2264 C 0 0 0
- -1.0537 -0.0885 0.0085 C 0 0 0
- 1.4845 -0.0838 0.6173 C 0 0 0
- 0.2718 -2.0340 0.0926 O 0 0 0
- -2.3519 -1.2544 -0.4456 Cl 0 0 0
- -1.5176 0.7662 1.5268 Cl 0 0 0
- -0.8364 1.1150 -1.3163 Cl 0 0 0
- 2.9316 -0.9485 -0.0223 Cl 0 0 0
- 1.4253 1.5808 -0.0730 Cl 0 0 0
- 2.4357 0.4785 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-153954-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.2252 -0.8780 0.0028 C 0 0 0
- -1.2768 0.0421 0.0024 C 0 0 0
- 1.1468 -0.3764 0.0011 C 0 0 0
- -0.7693 -2.1162 -0.0004 N 0 0 0
- -1.0152 1.4145 0.0006 C 0 0 0
- -2.4410 -0.7065 0.0043 N 0 0 0
- 1.3594 1.0249 -0.0010 C 0 0 0
- 2.1898 -1.2049 0.0020 N 0 0 0
- -2.0773 -2.0207 -0.0028 C 0 0 0
- 0.2535 1.8959 -0.0006 C 0 0 0
- -2.1695 2.3833 -0.0003 C 0 0 0
- -3.8097 -0.1840 0.0046 C 0 0 0
- 2.6099 1.4982 -0.0027 N 0 0 0
- 3.4112 -0.7158 0.0008 C 0 0 0
- -2.9522 -3.0875 -0.0068 N 0 0 0
- -1.6683 3.7215 -0.0021 O 0 0 0
- 3.6241 0.6618 -0.0022 C 0 0 0
- 4.5910 -1.6534 0.0017 C 0 0 0
- 0.4115 2.9256 0.0000 H 0 0 0
- -3.0975 2.8566 0.0000 H 0 0 0
- -2.7447 1.5147 0.0000 H 0 0 0
- -3.4382 0.7893 0.0000 H 0 0 0
- -4.7830 0.1875 0.0000 H 0 0 0
- -4.1812 -1.1573 0.0000 H 0 0 0
- -3.9801 -2.9181 0.0000 H 0 0 0
- -2.5849 -4.0624 0.0000 H 0 0 0
- -1.3029 4.6971 0.0000 H 0 0 0
- 4.5976 1.0326 0.0000 H 0 0 0
- 3.9428 -2.4690 0.0000 H 0 0 0
- 5.4066 -2.3016 0.0000 H 0 0 0
- 5.2392 -0.8378 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 2 0
- 14 18 1 0
- 6 9 1 0
- 7 10 1 0
- 14 17 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2404-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 2.5154 -0.5027 0.0607 C 0 0 0
- 1.2586 0.3207 0.3495 C 0 0 0
- 3.7544 0.2998 0.4629 C 0 0 0
- 0.0196 -0.4818 -0.0526 C 0 0 0
- 5.0112 -0.5237 0.1741 C 0 0 0
- 4.5696 0.5263 -0.6887 O 0 0 0
- -1.2372 0.3416 0.2361 C 0 0 0
- -2.4762 -0.4609 -0.1660 C 0 0 0
- -3.7330 0.3625 0.1228 C 0 0 0
- -4.9720 -0.4400 -0.2794 C 0 0 0
- -6.2288 0.3834 0.0094 C 0 0 0
- 1.7865 -1.3360 0.0000 H 0 0 0
- 3.2400 -1.3398 0.0000 H 0 0 0
- 1.9875 1.1540 0.0000 H 0 0 0
- 0.5340 1.1578 0.0000 H 0 0 0
- 3.3000 1.3094 0.0000 H 0 0 0
- -0.7093 -1.3151 0.0000 H 0 0 0
- 0.7442 -1.3189 0.0000 H 0 0 0
- 4.7330 -1.5953 0.0000 H 0 0 0
- 6.1155 -0.4440 0.0000 H 0 0 0
- -0.5083 1.1749 0.0000 H 0 0 0
- -1.9618 1.1787 0.0000 H 0 0 0
- -3.2051 -1.2942 0.0000 H 0 0 0
- -1.7516 -1.2980 0.0000 H 0 0 0
- -3.0041 1.1958 0.0000 H 0 0 0
- -4.4576 1.1996 0.0000 H 0 0 0
- -5.7009 -1.2733 0.0000 H 0 0 0
- -4.2474 -1.2771 0.0000 H 0 0 0
- -5.6221 1.3095 0.0000 H 0 0 0
- -7.1549 0.9901 0.0000 H 0 0 0
- -6.8355 -0.5427 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 7 1 0
- 9 8 1 0
- 10 9 1 0
- 11 10 1 0
- 5 6 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 11 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.7074 0.0218 -0.0017 C 0 0 0
- -0.7074 -0.0218 -0.0017 C 0 0 0
- 1.3566 1.2696 -0.0015 C 0 0 0
- 1.4353 -1.1886 0.0040 C 0 0 0
- -1.3566 -1.2696 -0.0018 C 0 0 0
- -1.4353 1.1886 0.0044 C 0 0 0
- 2.7131 1.3446 -0.0010 C 0 0 0
- 2.7864 -1.1840 0.0046 C 0 0 0
- -2.7131 -1.3446 -0.0014 C 0 0 0
- -2.7864 1.1840 0.0050 C 0 0 0
- 3.5002 0.0990 -0.0007 C 0 0 0
- 3.3348 2.5504 -0.0013 O 0 0 0
- -3.5002 -0.0990 -0.0007 C 0 0 0
- -3.3348 -2.5504 -0.0011 O 0 0 0
- 4.8159 0.1358 -0.0003 N 0 0 0
- 2.3081 3.5444 -0.0021 C 0 0 0
- -4.8159 -0.1358 -0.0008 N 0 0 0
- -2.3081 -3.5444 -0.0014 C 0 0 0
- 5.4709 -0.9289 -0.0001 C 0 0 0
- -5.4709 0.9289 -0.0002 C 0 0 0
- 6.1039 -1.9577 0.0002 O 0 0 0
- -6.1039 1.9577 0.0004 O 0 0 0
- 0.8041 2.1257 0.0000 H 0 0 0
- 0.9352 -2.0764 0.0000 H 0 0 0
- -0.8041 -2.1257 0.0000 H 0 0 0
- -0.9352 2.0764 0.0000 H 0 0 0
- 3.3044 -2.0615 0.0000 H 0 0 0
- -3.3044 2.0615 0.0000 H 0 0 0
- 3.0168 4.2765 0.0000 H 0 0 0
- 1.5760 4.2531 0.0000 H 0 0 0
- 1.5994 2.8123 0.0000 H 0 0 0
- -3.0168 -4.2765 0.0000 H 0 0 0
- -1.5760 -4.2531 0.0000 H 0 0 0
- -1.5994 -2.8123 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 2 0
- 17 20 2 0
- 19 21 2 0
- 20 22 2 0
- 8 11 1 0
- 10 13 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-40568-90-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.0813 -0.3718 -0.0016 C 0 0 0
- -1.4814 -0.2419 -0.0015 C 0 0 0
- 0.7274 0.7787 0.0000 C 0 0 0
- 0.5243 -1.7042 0.0026 C 0 0 0
- -2.0597 1.0484 -0.0002 C 0 0 0
- -2.3004 -1.3930 -0.0022 C 0 0 0
- 2.1791 0.6082 -0.0002 C 0 0 0
- 0.1288 2.0525 0.0022 C 0 0 0
- 1.9033 -1.8319 0.0020 C 0 0 0
- -0.3518 -2.8764 0.0069 C 0 0 0
- -1.2213 2.1857 0.0005 C 0 0 0
- -3.4548 1.1656 0.0000 C 0 0 0
- -1.6936 -2.7217 -0.0026 C 0 0 0
- -3.6877 -1.2330 -0.0020 C 0 0 0
- 2.7312 -0.6974 -0.0020 C 0 0 0
- 3.0316 1.7192 0.0009 C 0 0 0
- -4.2430 0.0337 -0.0007 C 0 0 0
- -4.0958 2.5294 0.0014 C 0 0 0
- 4.1326 -0.8450 -0.0026 C 0 0 0
- 4.3825 1.5377 0.0003 C 0 0 0
- 4.9301 0.2571 -0.0014 C 0 0 0
- 0.7372 2.9139 0.0000 H 0 0 0
- 2.3372 -2.7931 0.0000 H 0 0 0
- 0.0657 -3.8448 0.0000 H 0 0 0
- -1.6500 3.1492 0.0000 H 0 0 0
- -2.3137 -3.5747 0.0000 H 0 0 0
- -4.3143 -2.0812 0.0000 H 0 0 0
- 2.6293 2.6940 0.0000 H 0 0 0
- -5.2926 0.1364 0.0000 H 0 0 0
- -3.1414 2.9780 0.0000 H 0 0 0
- -4.5444 3.4838 0.0000 H 0 0 0
- -5.0502 2.0808 0.0000 H 0 0 0
- 4.5624 -1.8080 0.0000 H 0 0 0
- 5.0208 2.3772 0.0000 H 0 0 0
- 5.9782 0.1401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.7097 -0.0625 -0.0202 C 0 0 0
- 0.1883 -1.2802 0.0060 C 0 0 0
- 0.0309 1.0452 -0.1683 O 0 0 0
- -1.9141 -0.0854 0.0732 O 0 0 0
- 1.6230 -0.7156 -0.0931 C 0 0 0
- 1.4073 0.7797 0.2340 C 0 0 0
- -0.7436 -1.8498 0.0000 H 0 0 0
- 0.6749 -2.2580 0.0000 H 0 0 0
- 1.9434 -1.7598 0.0000 H 0 0 0
- 2.6888 -0.4767 0.0000 H 0 0 0
- 2.4989 0.8146 0.0000 H 0 0 0
- 1.4938 1.8685 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 6 1 0
- 2 7 1 0
- 2 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3268-87-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 1.1782 0.6953 -0.0059 C 0 0 0
- 1.1782 -0.6953 -0.0031 C 0 0 0
- 2.3796 1.3866 -0.0047 C 0 0 0
- 0.0000 1.3759 -0.0040 O 0 0 0
- 2.3796 -1.3867 0.0009 C 0 0 0
- 0.0000 -1.3759 -0.0037 O 0 0 0
- 3.5777 0.6920 -0.0008 C 0 0 0
- 2.3824 3.1226 -0.0088 Cl 0 0 0
- -1.1782 0.6953 0.0012 C 0 0 0
- 3.5777 -0.6920 0.0020 C 0 0 0
- 2.3823 -3.1226 0.0049 Cl 0 0 0
- -1.1782 -0.6953 -0.0064 C 0 0 0
- 5.0819 1.5587 0.0007 Cl 0 0 0
- -2.3796 1.3867 0.0043 C 0 0 0
- 5.0819 -1.5587 0.0075 Cl 0 0 0
- -2.3796 -1.3867 -0.0059 C 0 0 0
- -3.5777 0.6920 0.0101 C 0 0 0
- -2.3824 3.1227 0.0014 Cl 0 0 0
- -3.5777 -0.6921 -0.0082 C 0 0 0
- -2.3823 -3.1226 -0.0030 Cl 0 0 0
- -5.0819 1.5587 0.0139 Cl 0 0 0
- -5.0819 -1.5587 -0.0075 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 16 20 1 0
- 17 21 1 0
- 19 22 1 0
- 7 10 1 0
- 9 12 2 0
- 17 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82486-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -0.8024 -0.1966 -0.2912 N 0 0 0
- -0.0500 0.4752 -1.3537 C 0 0 0
- -1.7691 0.5572 0.5109 C 0 0 0
- -0.6016 -1.5613 -0.0460 N 0 3 0
- 1.2517 1.0378 -0.7793 C 0 0 0
- -3.1455 0.4908 -0.1540 C 0 0 0
- -1.2271 -2.1199 0.8373 O 0 0 0
- 0.1985 -2.1892 -0.7162 O 0 5 0
- 2.0357 -0.0293 -0.2420 O 0 0 0
- -4.1551 1.2781 0.6837 C 0 0 0
- 3.2205 0.5517 0.2714 N 0 3 0
- -5.5314 1.2117 0.0187 C 0 0 0
- 3.3921 1.7551 0.1934 O 0 0 0
- 4.0682 -0.1519 0.7910 O 0 5 0
- -0.0417 1.4354 0.0000 H 0 0 0
- -0.9247 0.8714 0.0000 H 0 0 0
- -0.9886 1.1165 0.0000 H 0 0 0
- -2.0848 1.4640 0.0000 H 0 0 0
- 2.0661 1.5466 0.0000 H 0 0 0
- 0.8056 1.8881 0.0000 H 0 0 0
- -3.9260 -0.0685 0.0000 H 0 0 0
- -2.8298 -0.4160 0.0000 H 0 0 0
- -3.3746 1.8374 0.0000 H 0 0 0
- -4.4708 2.1849 0.0000 H 0 0 0
- -5.5777 2.1708 0.0000 H 0 0 0
- -6.4905 1.1654 0.0000 H 0 0 0
- -5.4851 0.2526 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-617-35-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.2042 -0.3970 -0.0013 C 0 0 0
- -0.9383 0.3145 -0.0003 O 0 0 0
- 1.5193 0.3048 -0.0004 C 0 0 0
- 0.1636 -1.6090 0.0020 O 0 0 0
- -2.2193 -0.3690 -0.0012 C 0 0 0
- 2.7985 -0.4919 -0.0015 C 0 0 0
- 1.5596 1.5119 0.0013 O 0 0 0
- -3.3483 0.6635 0.0003 C 0 0 0
- -3.0403 -1.0844 0.0000 H 0 0 0
- -1.6013 -1.2656 0.0000 H 0 0 0
- 2.2228 -1.4162 0.0000 H 0 0 0
- 3.7228 -1.0676 0.0000 H 0 0 0
- 3.3742 0.4324 0.0000 H 0 0 0
- -2.6134 1.4671 0.0000 H 0 0 0
- -4.1519 1.3984 0.0000 H 0 0 0
- -4.0832 -0.1401 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 1 0
- 7 3 2 0
- 8 5 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-683-51-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.0070 0.6569 -0.0015 C 0 0 0
- -1.4280 0.3687 0.0012 C 0 0 0
- 0.4339 1.9221 0.0003 C 0 0 0
- 1.1540 -0.6462 0.0002 Cl 0 0 0
- -1.8159 -0.7809 -0.0004 O 0 0 0
- -2.1215 1.1566 0.0000 H 0 0 0
- 1.4630 2.1287 0.0000 H 0 0 0
- -0.2596 2.7100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 0.0000 -0.3926 0.0000 C 0 0 0
- -1.2492 0.4908 0.0000 C 0 0 0
- 1.2492 0.4908 0.0000 C 0 0 0
- -2.4985 -0.3926 0.0000 C 0 0 0
- 2.4985 -0.3926 0.0000 C 0 0 0
- -3.7477 0.4908 0.0000 C 0 0 0
- 3.7477 0.4908 0.0000 C 0 0 0
- -4.9969 -0.3926 0.0000 C 0 0 0
- 4.9969 -0.3926 0.0000 C 0 0 0
- -0.7642 -1.2486 0.0000 H 0 0 0
- 0.7642 -1.2486 0.0000 H 0 0 0
- -0.4850 1.3468 0.0000 H 0 0 0
- -2.0134 1.3468 0.0000 H 0 0 0
- 2.0134 1.3468 0.0000 H 0 0 0
- 0.4850 1.3468 0.0000 H 0 0 0
- -3.2627 -1.2486 0.0000 H 0 0 0
- -1.7343 -1.2486 0.0000 H 0 0 0
- 1.7343 -1.2486 0.0000 H 0 0 0
- 3.2627 -1.2486 0.0000 H 0 0 0
- -2.9835 1.3468 0.0000 H 0 0 0
- -4.5119 1.3468 0.0000 H 0 0 0
- 4.5119 1.3468 0.0000 H 0 0 0
- 2.9835 1.3468 0.0000 H 0 0 0
- -5.6595 0.5443 0.0000 H 0 0 0
- -5.9338 -1.0551 0.0000 H 0 0 0
- -4.3344 -1.3295 0.0000 H 0 0 0
- 4.3344 -1.3295 0.0000 H 0 0 0
- 5.9338 -1.0551 0.0000 H 0 0 0
- 5.6595 0.5443 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-517-66-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 50 1 V2000
- -0.7500 0.4236 0.0328 C 0 0 0
- -1.7205 -0.5691 -0.1205 C 0 0 0
- 0.6825 0.0416 0.0397 C 0 0 0
- -1.1244 1.7572 0.1833 C 0 0 0
- -1.2986 -2.0077 -0.2543 C 0 0 0
- -3.0545 -0.2215 -0.1526 C 0 0 0
- 1.0255 -1.2852 0.2989 C 0 0 0
- 1.6738 0.9857 -0.2070 C 0 0 0
- -2.4745 2.0946 0.1756 C 0 0 0
- -0.3903 2.8948 0.3509 O 0 0 0
- -0.0549 -2.2909 0.5855 C 0 0 0
- -2.3885 -2.8807 0.2035 N 0 0 0
- -3.4279 1.1060 0.0063 C 0 0 0
- -4.1278 -1.2479 -0.3874 C 0 0 0
- 2.3524 -1.6641 0.2999 C 0 0 0
- 3.0038 0.6013 -0.2005 C 0 0 0
- -2.5873 3.4446 0.3458 O 0 0 0
- -1.2855 3.9796 0.0425 C 0 0 0
- -3.5389 -2.6231 -0.6624 C 0 0 0
- -1.9624 -4.2616 -0.0603 C 0 0 0
- 3.3426 -0.7256 0.0508 C 0 0 0
- 3.9785 1.5190 -0.4400 O 0 0 0
- 4.6492 -1.1024 0.0532 O 0 0 0
- 3.3233 2.7698 -0.6593 C 0 0 0
- 4.6747 -2.5024 0.3387 C 0 0 0
- -1.0662 -3.0197 0.0000 H 0 0 0
- 1.4272 1.9943 0.0000 H 0 0 0
- -0.4811 -3.2377 0.0000 H 0 0 0
- 0.7889 -2.8960 0.0000 H 0 0 0
- -4.4348 1.3594 0.0000 H 0 0 0
- -4.7509 -0.4173 0.0000 H 0 0 0
- -5.0268 -1.7675 0.0000 H 0 0 0
- 2.5994 -2.6726 0.0000 H 0 0 0
- -0.4227 4.5572 0.0000 H 0 0 0
- -1.7741 4.8958 0.0000 H 0 0 0
- -4.5573 -2.8256 0.0000 H 0 0 0
- -3.5514 -3.6614 0.0000 H 0 0 0
- -2.9546 -4.5677 0.0000 H 0 0 0
- -1.6563 -5.2538 0.0000 H 0 0 0
- -0.9702 -3.9555 0.0000 H 0 0 0
- 4.2431 3.2516 0.0000 H 0 0 0
- 2.8415 3.6896 0.0000 H 0 0 0
- 2.4035 2.2880 0.0000 H 0 0 0
- 3.6365 -2.5213 0.0000 H 0 0 0
- 4.6936 -3.5406 0.0000 H 0 0 0
- 5.7129 -2.4835 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 15 21 1 0
- 16 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 13 2 0
- 14 19 1 0
- 16 21 2 0
- 17 18 1 0
- 5 26 1 0
- 8 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
- 24 41 1 0
- 24 42 1 0
- 24 43 1 0
- 25 44 1 0
- 25 45 1 0
- 25 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13676-54-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 44 1 V2000
- 4.6337 -0.5064 -0.0896 N 0 0 0
- 3.4895 0.3030 -0.0669 C 0 0 0
- 5.6886 -0.3812 0.7356 C 0 0 0
- 4.8422 -1.5308 -0.9361 C 0 0 0
- 2.8986 0.7054 -1.2568 C 0 0 0
- 2.9416 0.6992 1.1458 C 0 0 0
- 6.6808 -1.4219 0.3870 C 0 0 0
- 5.8068 0.4458 1.6165 O 0 0 0
- 6.1635 -2.1245 -0.6348 C 0 0 0
- 4.0761 -1.9049 -1.8004 O 0 0 0
- 1.7707 1.5027 -1.2312 C 0 0 0
- 1.8140 1.4963 1.1650 C 0 0 0
- 1.2305 1.8999 -0.0222 C 0 0 0
- 0.0001 2.7697 0.0022 C 0 0 0
- -1.2299 1.8993 0.0252 C 0 0 0
- -1.7699 1.4999 1.2336 C 0 0 0
- -1.8196 1.5064 -1.1625 C 0 0 0
- -2.8977 0.7024 1.2579 C 0 0 0
- -2.9471 0.7092 -1.1446 C 0 0 0
- -3.4887 0.3021 0.0674 C 0 0 0
- -4.6328 -0.5074 0.0888 N 0 0 0
- -5.6876 -0.3812 -0.7364 C 0 0 0
- -4.8414 -1.5330 0.9339 C 0 0 0
- -6.6797 -1.4225 -0.3893 C 0 0 0
- -5.8054 0.4466 -1.6166 O 0 0 0
- -6.1626 -2.1264 0.6316 C 0 0 0
- -4.0753 -1.9083 1.7977 O 0 0 0
- 2.4514 0.0609 0.0000 H 0 0 0
- 3.3979 1.3374 0.0000 H 0 0 0
- 7.4637 -1.3722 0.0000 H 0 0 0
- 6.3628 -2.8833 0.0000 H 0 0 0
- 1.3119 0.8663 0.0000 H 0 0 0
- 2.2636 2.1392 0.0000 H 0 0 0
- 0.5224 3.3550 0.0000 H 0 0 0
- -0.5225 3.3548 0.0000 H 0 0 0
- -1.3102 0.8642 0.0000 H 0 0 0
- -2.2636 2.1532 0.0000 H 0 0 0
- -2.4512 0.0573 0.0000 H 0 0 0
- -3.4093 1.3431 0.0000 H 0 0 0
- -7.4626 -1.3725 0.0000 H 0 0 0
- -6.3624 -2.8850 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 11 13 2 0
- 13 14 1 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 22 25 2 0
- 23 26 1 0
- 23 27 2 0
- 7 9 2 0
- 12 13 1 0
- 19 20 1 0
- 24 26 2 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 9 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 14 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 24 40 1 0
- 26 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71708-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 1.7612 -0.0546 0.2784 C 0 0 0
- 3.0531 0.4721 0.4061 N 0 0 0
- 1.0878 -0.5223 1.3992 C 0 0 0
- 1.1514 -0.1039 -0.9679 C 0 0 0
- 4.0132 0.1226 -0.4729 C 0 0 0
- 3.3501 1.3716 1.4586 O 0 0 0
- -0.1853 -1.0412 1.2728 C 0 0 0
- -0.1220 -0.6232 -1.0932 C 0 0 0
- 5.0797 -0.8635 -0.0712 C 0 0 0
- 4.0189 0.6018 -1.5871 O 0 0 0
- -0.7920 -1.0956 0.0260 C 0 0 0
- -2.0457 -1.6067 -0.0980 O 0 0 0
- -2.9020 -0.5517 -0.0952 C 0 0 0
- -4.2701 -0.7674 -0.0147 C 0 0 0
- -2.4092 0.7437 -0.1672 C 0 0 0
- -5.1386 0.3071 -0.0121 C 0 0 0
- -3.2818 1.8143 -0.1642 C 0 0 0
- -4.6454 1.5963 -0.0896 C 0 0 0
- 1.5795 -1.4286 0.0000 H 0 0 0
- 0.9124 0.8991 0.0000 H 0 0 0
- 3.6734 2.3507 0.0000 H 0 0 0
- 0.0580 -2.0432 0.0000 H 0 0 0
- -0.6169 0.2813 0.0000 H 0 0 0
- 4.3797 -1.6206 0.0000 H 0 0 0
- 5.8368 -1.5635 0.0000 H 0 0 0
- 5.7797 -0.1064 0.0000 H 0 0 0
- -4.6404 -1.7297 0.0000 H 0 0 0
- -1.3913 0.9081 0.0000 H 0 0 0
- -6.1570 0.1457 0.0000 H 0 0 0
- -2.9145 2.7778 0.0000 H 0 0 0
- -5.2953 2.3968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 11 2 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-552-16-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.3190 0.7488 -0.0314 C 0 0 0
- 0.4559 -0.6378 0.0561 C 0 0 0
- 1.4583 1.5552 -0.0737 C 0 0 0
- -1.0249 1.3597 -0.0852 C 0 0 0
- 1.7141 -1.2022 0.1003 C 0 0 0
- -0.7460 -1.5005 0.1020 N 0 3 0
- 2.7100 0.9779 -0.0288 C 0 0 0
- -1.7281 1.3403 -1.2340 O 0 0 0
- -1.4959 1.8796 0.9065 O 0 0 0
- 2.8385 -0.3973 0.0580 C 0 0 0
- -0.7624 -2.5549 -0.5074 O 0 0 0
- -1.7187 -1.1558 0.7491 O 0 5 0
- 1.3633 2.5859 0.0000 H 0 0 0
- 1.8172 -2.2321 0.0000 H 0 0 0
- 3.5549 1.5759 0.0000 H 0 0 0
- -2.7628 1.3118 0.0000 H 0 0 0
- 3.7801 -0.8271 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134998-79-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.1735 0.4133 0.0085 C 0 0 0
- 0.1641 -0.9506 -0.0097 C 0 0 0
- 0.8510 1.3807 0.0214 C 0 0 0
- -1.5332 0.7986 0.0079 C 0 0 0
- 1.5219 -1.3283 -0.0124 C 0 0 0
- -0.8584 -1.9256 -0.0246 C 0 0 0
- 2.2175 0.9756 0.0153 C 0 0 0
- 0.4993 2.7337 0.0398 C 0 0 0
- -2.5380 -0.1991 -0.0118 C 0 0 0
- -1.8443 2.1604 0.0263 C 0 0 0
- 2.5414 -0.3324 0.0057 C 0 0 0
- 1.8424 -2.6887 -0.0320 C 0 0 0
- -2.2128 -1.5121 -0.0203 C 0 0 0
- -0.4978 -3.2754 -0.0438 C 0 0 0
- 3.2530 2.0714 0.0133 C 0 0 0
- -0.8324 3.1014 0.0446 C 0 0 0
- -3.9636 0.2001 -0.0121 N 0 3 0
- 3.9684 -0.8188 0.0199 C 0 0 0
- 0.8360 -3.6356 -0.0473 C 0 0 0
- 4.6153 1.5348 0.4442 C 0 0 0
- -4.7468 -0.3378 0.7499 O 0 0 0
- -4.3533 1.0665 -0.7744 O 0 5 0
- 4.9273 0.2925 -0.3984 C 0 0 0
- 1.2500 3.4732 0.0000 H 0 0 0
- -2.8515 2.4704 0.0000 H 0 0 0
- 2.8515 -2.9923 0.0000 H 0 0 0
- -2.9776 -2.2370 0.0000 H 0 0 0
- -1.2440 -4.0195 0.0000 H 0 0 0
- 3.7605 2.9949 0.0000 H 0 0 0
- 2.4014 2.6921 0.0000 H 0 0 0
- -1.0827 4.1250 0.0000 H 0 0 0
- 3.5041 -1.7648 0.0000 H 0 0 0
- 4.8475 -1.3999 0.0000 H 0 0 0
- 1.0922 -4.6578 0.0000 H 0 0 0
- 5.6683 1.5758 0.0000 H 0 0 0
- 4.7916 2.5737 0.0000 H 0 0 0
- 5.5689 -0.5435 0.0000 H 0 0 0
- 5.8760 0.7512 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 15 20 1 0
- 17 21 2 0
- 17 22 1 0
- 18 23 1 0
- 7 11 2 0
- 9 13 2 0
- 10 16 1 0
- 14 19 2 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 23 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90147-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -0.9588 0.0674 0.0039 C 0 0 0
- -2.1045 -0.6454 -0.0112 O 0 0 0
- -1.2952 1.4056 0.0263 C 0 0 0
- 0.3534 -0.4628 0.0032 C 0 0 0
- -3.1508 0.1918 0.0008 C 0 0 0
- -2.6967 1.4649 0.0239 C 0 0 0
- 1.4232 0.3729 0.0196 C 0 0 0
- -4.5749 -0.2124 -0.0092 N 0 3 0
- 2.7332 -0.1565 0.0189 C 0 0 0
- -5.4489 0.6359 0.0033 O 0 0 0
- -4.8726 -1.3933 -0.0300 O 0 5 0
- 3.7970 0.6745 0.0352 O 0 0 0
- 2.9026 -1.3616 0.0036 O 0 0 0
- 4.9641 -0.1474 -0.0296 C 0 0 0
- 5.7743 0.2148 -1.2760 C 0 0 0
- 5.8189 0.0813 1.2185 C 0 0 0
- -0.6555 2.1912 0.0000 H 0 0 0
- 0.4943 -1.4660 0.0000 H 0 0 0
- -3.2628 2.3051 0.0000 H 0 0 0
- 1.2823 1.3761 0.0000 H 0 0 0
- 4.7867 -1.1448 0.0000 H 0 0 0
- 6.1878 -0.7101 0.0000 H 0 0 0
- 6.6992 0.6283 0.0000 H 0 0 0
- 5.3608 1.1397 0.0000 H 0 0 0
- 6.0807 -0.8974 0.0000 H 0 0 0
- 6.7976 0.3431 0.0000 H 0 0 0
- 5.5571 1.0600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 5 6 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 14 21 1 0
- 15 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1732-29-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.0104 -0.6968 0.0103 C 0 0 0
- -1.2384 -0.3185 -0.0042 C 0 0 0
- 1.0959 0.3003 0.0014 C 0 0 0
- 0.3517 -2.1314 0.0419 C 0 0 0
- -1.5878 1.1132 -0.0306 C 0 0 0
- -2.3189 -1.3225 0.0053 C 0 0 0
- 2.3414 -0.1132 0.0170 C 0 0 0
- 0.7543 1.7324 -0.0241 C 0 0 0
- -0.6057 -3.0280 0.0553 C 0 0 0
- 1.7799 -2.4933 0.0576 C 0 0 0
- -0.5085 2.1149 -0.0407 C 0 0 0
- -2.8534 1.4603 -0.0449 C 0 0 0
- -2.0204 -2.5997 0.0283 C 0 0 0
- -3.7078 -0.8311 -0.0122 C 0 0 0
- 2.6871 -1.5402 0.0425 C 0 0 0
- 3.3385 0.8043 0.0089 N 0 3 0
- -3.9332 0.4652 -0.0350 C 0 0 0
- -3.1751 2.7836 -0.0693 O 0 0 0
- 4.1817 0.7795 -0.8697 O 0 0 0
- 3.3915 1.6538 0.8802 O 0 5 0
- 1.4978 2.4327 0.0000 H 0 0 0
- -0.3735 -4.0226 0.0000 H 0 0 0
- 2.0631 -3.4746 0.0000 H 0 0 0
- -0.7384 3.1101 0.0000 H 0 0 0
- -2.7655 -3.2983 0.0000 H 0 0 0
- -4.4880 -1.4902 0.0000 H 0 0 0
- 3.6738 -1.8043 0.0000 H 0 0 0
- -4.9005 0.7933 0.0000 H 0 0 0
- -3.4164 3.7761 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 12 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 11 2 0
- 9 13 1 0
- 10 15 2 0
- 14 17 2 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-68-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.6819 0.8002 0.0018 C 0 0 0
- -1.1026 -0.5234 0.0004 C 0 0 0
- 0.6677 1.0943 0.0017 C 0 0 0
- -1.6966 1.9144 -0.0028 C 0 0 0
- -0.1637 -1.5475 -0.0011 C 0 0 0
- -2.4666 -0.8243 0.0010 N 0 0 0
- 1.5994 0.0727 0.0001 C 0 0 0
- 1.1839 -1.2465 -0.0013 C 0 0 0
- 3.0711 0.3973 0.0000 C 0 0 0
- 0.9839 2.0868 0.0000 H 0 0 0
- -0.9265 2.6158 0.0000 H 0 0 0
- -2.3980 2.6845 0.0000 H 0 0 0
- -2.4667 1.2130 0.0000 H 0 0 0
- -0.4760 -2.5412 0.0000 H 0 0 0
- -3.1695 -0.0556 0.0000 H 0 0 0
- -2.7809 -1.8174 0.0000 H 0 0 0
- 1.8883 -2.0138 0.0000 H 0 0 0
- 3.2955 -0.6199 0.0000 H 0 0 0
- 4.0883 0.6217 0.0000 H 0 0 0
- 2.8467 1.4145 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27729-98-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.3498 1.0622 -0.7152 C 0 0 2
- -0.4495 1.1647 0.5854 C 0 0 1
- 1.6872 0.4271 -0.4342 C 0 0 0
- 0.2381 2.2825 0.0199 O 0 0 0
- -1.9187 1.2646 0.2655 C 0 0 0
- 1.8292 -0.9462 -0.5096 C 0 0 0
- 2.7723 1.2182 -0.1069 C 0 0 0
- -2.7315 0.0431 0.1508 C 0 0 0
- -2.4313 2.3513 0.1026 O 0 0 0
- 3.0550 -1.5297 -0.2521 C 0 0 0
- 3.9994 0.6368 0.1511 C 0 0 0
- -4.0955 0.1316 -0.1459 C 0 0 0
- -2.1430 -1.2123 0.3323 C 0 0 0
- 4.1415 -0.7385 0.0815 C 0 0 0
- -4.8502 -1.0173 -0.2516 C 0 0 0
- -2.9114 -2.3523 0.2233 C 0 0 0
- 5.3404 -1.3079 0.3334 F 0 0 0
- -4.2614 -2.2561 -0.0649 C 0 0 0
- 0.0621 0.0818 0.0000 H 0 0 0
- -0.5492 0.1478 0.0000 H 0 0 0
- 0.9945 -1.5355 0.0000 H 0 0 0
- 2.6767 2.2355 0.0000 H 0 0 0
- 3.1494 -2.5471 0.0000 H 0 0 0
- 4.8336 1.2269 0.0000 H 0 0 0
- -4.5513 1.0461 0.0000 H 0 0 0
- -1.1243 -1.2913 0.0000 H 0 0 0
- -5.8696 -0.9471 0.0000 H 0 0 0
- -2.4639 -3.2709 0.0000 H 0 0 0
- -4.8376 -3.0999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 2 4 1 0
- 11 14 2 0
- 16 18 2 0
- 1 19 1 0
- 2 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-15-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.8529 -0.7652 -0.2703 C 0 0 0
- 0.3881 0.2491 -1.0979 C 0 0 0
- 2.1221 -0.6873 0.2689 C 0 0 0
- -0.0133 -1.9253 0.0381 N 0 3 0
- -0.8948 0.1733 -1.6453 N 0 0 0
- 1.2025 1.3391 -1.3802 C 0 0 0
- 2.9298 0.3988 -0.0142 C 0 0 0
- -0.1010 -2.3325 1.1827 O 0 0 0
- -0.6383 -2.4726 -0.8526 O 0 5 0
- -2.0160 0.3660 -0.8301 C 0 0 0
- 2.4702 1.4105 -0.8377 C 0 0 0
- 4.2892 0.4791 0.5659 N 0 3 0
- -3.2313 -0.2134 -1.1716 C 0 0 0
- -1.9128 1.1320 0.3235 C 0 0 0
- 5.0019 1.4351 0.3176 O 0 0 0
- 4.6952 -0.4109 1.2917 O 0 5 0
- -4.3369 -0.0227 -0.3668 C 0 0 0
- -3.0198 1.3217 1.1274 C 0 0 0
- -4.2342 0.7474 0.7826 C 0 0 0
- -5.3238 0.9351 1.5744 O 0 0 0
- 2.5284 -1.4376 0.0000 H 0 0 0
- -0.9422 -0.6786 0.0000 H 0 0 0
- 0.7989 2.0908 0.0000 H 0 0 0
- 2.9118 2.1405 0.0000 H 0 0 0
- -3.1147 -1.0586 0.0000 H 0 0 0
- -1.2252 1.6371 0.0000 H 0 0 0
- -5.0245 -0.5279 0.0000 H 0 0 0
- -3.1355 2.1670 0.0000 H 0 0 0
- -6.1646 1.0799 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 10 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 17 19 1 0
- 19 20 1 0
- 7 11 1 0
- 18 19 2 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 17 27 1 0
- 18 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-622-96-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.9731 0.0010 -0.2937 C 0 0 0
- -0.2887 -1.1966 -0.2004 C 0 0 0
- -0.2880 1.1977 -0.1989 C 0 0 0
- -2.4652 0.0017 -0.5050 C 0 0 0
- 1.0806 -1.1973 -0.0123 C 0 0 0
- 1.0817 1.1970 -0.0108 C 0 0 0
- -3.1724 -0.0023 0.8517 C 0 0 0
- 1.7659 -0.0003 0.0825 C 0 0 0
- 3.2590 -0.0010 0.2870 C 0 0 0
- -0.8080 -2.0910 0.0000 H 0 0 0
- -0.8065 2.0926 0.0000 H 0 0 0
- -1.9495 0.8982 0.0000 H 0 0 0
- -2.9856 0.8955 0.0000 H 0 0 0
- 1.5991 -2.0922 0.0000 H 0 0 0
- 1.6010 2.0914 0.0000 H 0 0 0
- -3.1782 1.0319 0.0000 H 0 0 0
- -4.2066 -0.0081 0.0000 H 0 0 0
- -3.1666 -1.0365 0.0000 H 0 0 0
- 3.2585 -1.0353 0.0000 H 0 0 0
- 4.2933 -0.0015 0.0000 H 0 0 0
- 3.2595 1.0333 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-286-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -1.8024 0.7628 0.1527 C 0 0 0
- -1.7478 -0.6880 -0.3067 C 0 0 0
- -1.1718 0.3462 -1.0654 O 0 0 0
- -0.6757 1.0525 1.1862 C 0 0 0
- -0.8766 -1.6928 0.3143 C 0 0 0
- 0.5382 1.5460 0.3732 C 0 0 0
- 0.5223 -1.3013 0.8330 C 0 0 0
- 1.1573 0.6409 -0.6254 C 0 0 0
- 1.3193 -0.8554 -0.4213 C 0 0 0
- 2.3469 0.0556 -0.0650 O 0 0 0
- -2.5949 1.3538 0.0000 H 0 0 0
- -2.6673 -1.0510 0.0000 H 0 0 0
- -0.8983 0.0893 0.0000 H 0 0 0
- 0.0766 0.4112 0.0000 H 0 0 0
- -1.7104 -2.2239 0.0000 H 0 0 0
- -0.4735 -2.5954 0.0000 H 0 0 0
- 1.3918 2.0446 0.0000 H 0 0 0
- 0.1016 2.4329 0.0000 H 0 0 0
- 0.3534 -2.2753 0.0000 H 0 0 0
- 1.3291 -1.8726 0.0000 H 0 0 0
- 0.2300 0.2983 0.0000 H 0 0 0
- 1.8918 -1.6613 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 2 3 1 0
- 8 9 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-881-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.5850 0.2101 -0.0019 C 0 0 0
- -1.5440 -0.8337 -0.0014 C 0 0 0
- 0.7828 -0.1111 -0.0009 C 0 0 0
- -1.0209 1.5462 0.0023 C 0 0 0
- -1.1082 -2.1694 0.0008 C 0 0 0
- -2.9122 -0.5121 -0.0025 C 0 0 0
- 1.1680 -1.4168 0.0007 C 0 0 0
- 1.7997 0.9646 -0.0010 N 0 3 0
- -2.3540 1.8196 0.0068 C 0 0 0
- 0.2253 -2.4428 0.0023 C 0 0 0
- -3.2970 0.7932 -0.0041 C 0 0 0
- 2.6360 -1.7575 0.0018 C 0 0 0
- 2.2174 1.4078 1.0538 O 0 0 0
- 2.2187 1.4064 -1.0558 O 0 5 0
- -0.3247 2.3260 0.0000 H 0 0 0
- -1.8044 -2.9492 0.0000 H 0 0 0
- -3.6305 -1.2716 0.0000 H 0 0 0
- -2.6756 2.8143 0.0000 H 0 0 0
- 0.5469 -3.4375 0.0000 H 0 0 0
- -4.3153 1.0297 0.0000 H 0 0 0
- 2.3997 -2.7758 0.0000 H 0 0 0
- 3.6543 -1.9938 0.0000 H 0 0 0
- 2.8723 -0.7392 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 7 10 2 0
- 9 11 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100310-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -2.6188 -0.0532 -0.0270 C 0 0 0
- -1.7390 -1.1410 -0.0676 C 0 0 0
- -1.9376 1.1668 0.0381 C 0 0 0
- -4.0110 -0.1719 -0.0436 C 0 0 0
- -0.3776 -0.5743 -0.0228 C 0 0 0
- -2.3075 -2.4021 -0.1344 C 0 0 0
- -0.4986 0.8365 0.0415 C 0 0 0
- -2.7117 2.3135 0.0818 C 0 0 0
- -4.5483 -1.4692 -0.1052 C 0 0 0
- -4.7612 1.0156 0.0022 C 0 0 0
- 0.8877 -1.1585 -0.0330 C 0 0 0
- -3.6949 -2.5372 -0.1567 C 0 0 0
- 0.6465 1.6209 0.0935 C 0 0 0
- -4.1022 2.2128 0.0609 C 0 0 0
- 2.0154 -0.3738 0.0191 C 0 0 0
- 1.9009 1.0202 0.0835 C 0 0 0
- 3.3855 -1.0006 0.0098 C 0 0 0
- 3.1300 1.8388 0.1383 C 0 0 0
- 4.3593 -0.1041 -0.7524 C 0 0 0
- 3.8426 -1.1664 1.3535 O 0 0 0
- 4.2833 1.3107 -0.2477 C 0 0 0
- 5.6902 -0.5973 -0.5865 O 0 0 0
- -1.6974 -3.2527 0.0000 H 0 0 0
- -2.2542 3.2550 0.0000 H 0 0 0
- -5.5847 -1.6161 0.0000 H 0 0 0
- -5.8075 0.9841 0.0000 H 0 0 0
- 0.9794 -2.2013 0.0000 H 0 0 0
- -4.1023 -3.5014 0.0000 H 0 0 0
- 0.5660 2.6646 0.0000 H 0 0 0
- -4.6670 3.0941 0.0000 H 0 0 0
- 2.9890 -1.9694 0.0000 H 0 0 0
- 3.0473 2.8823 0.0000 H 0 0 0
- 3.3898 0.2905 0.0000 H 0 0 0
- 4.8266 -1.5233 0.0000 H 0 0 0
- 5.1487 1.8996 0.0000 H 0 0 0
- 6.6717 -0.9610 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 2 0
- 19 22 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 15 16 1 0
- 19 21 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-591-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.9735 -0.8478 0.0002 C 0 0 0
- -2.3315 -0.5896 -0.0001 C 0 0 0
- -0.0706 0.1999 0.0002 C 0 0 0
- -2.7871 0.7153 0.0000 C 0 0 0
- -3.3154 -1.7311 -0.0001 C 0 0 0
- -0.5271 1.5059 -0.0001 C 0 0 0
- 1.7872 -0.1526 0.0000 Br 0 0 0
- -1.8849 1.7630 0.0000 C 0 0 0
- -0.6317 -1.8270 0.0000 H 0 0 0
- -3.8061 0.9086 0.0000 H 0 0 0
- -4.1010 -1.0540 0.0000 H 0 0 0
- -3.9925 -2.5167 0.0000 H 0 0 0
- -2.5298 -2.4082 0.0000 H 0 0 0
- 0.1496 2.2919 0.0000 H 0 0 0
- -2.2272 2.7420 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 2 0
- 1 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1466-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.1285 -0.2938 0.0254 C 0 0 0
- -2.3512 0.2864 0.0486 C 0 0 0
- 0.0811 0.5416 -0.0026 C 0 0 0
- -3.5114 -0.5148 0.0754 C 0 0 0
- 1.3469 -0.0542 -0.0267 C 0 0 0
- -0.0274 1.9368 -0.0111 C 0 0 0
- -4.6084 0.0057 0.0962 O 0 0 0
- 1.4731 -1.5290 -0.0246 N 0 3 0
- 2.4763 0.7363 -0.0528 C 0 0 0
- 1.1115 2.7128 -0.0373 C 0 0 0
- 2.2494 -2.0727 0.7405 O 0 0 0
- 0.8007 -2.1988 -0.7879 O 0 5 0
- 2.3604 2.1154 -0.0552 C 0 0 0
- -1.0448 -1.3284 0.0000 H 0 0 0
- -2.4348 1.3210 0.0000 H 0 0 0
- -3.4278 -1.5494 0.0000 H 0 0 0
- -0.9631 2.3860 0.0000 H 0 0 0
- 3.4162 0.2959 0.0000 H 0 0 0
- 1.0327 3.7478 0.0000 H 0 0 0
- 3.2146 2.7051 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 1 0
- 10 6 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 10 13 1 0
- 1 14 1 0
- 2 15 1 0
- 4 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2212-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 0.6788 0.4412 0.3801 N 0 0 0
- -0.5804 0.8124 0.0751 C 0 0 0
- 1.7471 1.4201 0.3351 C 0 0 0
- 0.9556 -0.9515 0.7615 C 0 0 0
- -1.8849 -0.3710 0.1274 S 0 0 0
- -0.8164 1.9641 -0.2362 O 0 0 0
- 2.8696 0.9281 -0.5920 C 0 0 0
- 1.6299 -1.6593 -0.4149 C 0 0 0
- -3.5760 0.1275 -0.2823 C 0 0 0
- 3.6484 -0.1827 0.1184 C 0 0 0
- 3.1404 -1.5556 -0.3100 C 0 0 0
- -4.5074 -1.0801 -0.1598 C 0 0 0
- 2.3110 2.3363 0.0000 H 0 0 0
- 0.9176 2.1052 0.0000 H 0 0 0
- -0.1099 -0.8024 0.0000 H 0 0 0
- 0.4642 -1.9086 0.0000 H 0 0 0
- 3.9065 1.2150 0.0000 H 0 0 0
- 2.9465 2.0012 0.0000 H 0 0 0
- 0.7018 -2.2034 0.0000 H 0 0 0
- 1.9472 -2.6873 0.0000 H 0 0 0
- -3.1471 1.1141 0.0000 H 0 0 0
- -4.5023 0.6747 0.0000 H 0 0 0
- 4.5622 -0.7506 0.0000 H 0 0 0
- 4.3878 0.5988 0.0000 H 0 0 0
- 3.0625 -2.6286 0.0000 H 0 0 0
- 4.1918 -1.7835 0.0000 H 0 0 0
- -5.3593 -0.4231 0.0000 H 0 0 0
- -5.1644 -1.9320 0.0000 H 0 0 0
- -3.6555 -1.7371 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 11 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-83-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.2421 0.1092 -0.3976 C 0 0 0
- 0.7177 -1.1368 -0.0350 C 0 0 0
- 1.0899 1.2014 -0.3913 C 0 0 0
- -1.1989 0.2762 -0.8057 C 0 0 0
- 2.0412 -1.2911 0.3339 C 0 0 0
- 2.4129 1.0472 -0.0225 C 0 0 0
- -2.0723 -0.2022 0.2742 N 0 0 0
- 2.8887 -0.1993 0.3402 C 0 0 0
- -2.5036 0.9843 1.0253 C 0 0 0
- -3.2726 -0.7551 -0.3672 C 0 0 0
- 0.1038 -1.9260 0.0000 H 0 0 0
- 0.7030 2.1233 0.0000 H 0 0 0
- -0.7790 1.1835 0.0000 H 0 0 0
- -1.9294 0.9589 0.0000 H 0 0 0
- 2.4281 -2.2130 0.0000 H 0 0 0
- 3.0268 1.8364 0.0000 H 0 0 0
- 3.8776 -0.3465 0.0000 H 0 0 0
- -1.5640 1.3259 0.0000 H 0 0 0
- -2.8452 1.9239 0.0000 H 0 0 0
- -3.4432 0.6427 0.0000 H 0 0 0
- -3.6909 0.1530 0.0000 H 0 0 0
- -4.1807 -1.1734 0.0000 H 0 0 0
- -2.8543 -1.6632 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108618-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.4466 0.3562 -0.0014 C 0 0 0
- -0.0113 0.5553 -0.0015 C 0 0 0
- 2.3043 1.4625 -0.0014 C 0 0 0
- 1.9761 -0.9392 0.0046 C 0 0 0
- -0.8351 -0.5077 -0.0015 C 0 0 0
- 3.6569 1.2772 -0.0013 C 0 0 0
- 3.3292 -1.1235 0.0047 C 0 0 0
- -2.2938 -0.3084 -0.0017 C 0 0 0
- 4.1857 -0.0179 -0.0011 C 0 0 0
- -3.1522 -1.4125 -0.0017 C 0 0 0
- -2.8248 0.9857 0.0040 C 0 0 0
- 5.6046 -0.2117 -0.0010 C 0 0 0
- -4.5161 -1.2219 -0.0014 C 0 0 0
- -4.1896 1.1677 0.0043 C 0 0 0
- 6.7301 -0.3654 -0.0009 N 0 0 0
- -5.0403 0.0666 -0.0011 C 0 0 0
- -6.4217 0.2553 -0.0012 N 0 0 0
- -0.4074 1.5248 0.0000 H 0 0 0
- 1.9085 2.4321 0.0000 H 0 0 0
- 1.3348 -1.7671 0.0000 H 0 0 0
- -0.4390 -1.4772 0.0000 H 0 0 0
- 4.2987 2.1048 0.0000 H 0 0 0
- 3.7256 -2.0929 0.0000 H 0 0 0
- -2.7583 -2.3829 0.0000 H 0 0 0
- -2.1852 1.8150 0.0000 H 0 0 0
- -5.1596 -2.0482 0.0000 H 0 0 0
- -4.5880 2.1363 0.0000 H 0 0 0
- -6.8178 1.2248 0.0000 H 0 0 0
- -7.0633 -0.5725 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 3 0
- 13 16 2 0
- 16 17 1 0
- 7 9 2 0
- 14 16 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62-23-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.4163 0.0231 -0.0008 C 0 0 0
- -2.8935 0.0355 -0.0008 C 0 0 0
- -0.7049 1.2248 0.0006 C 0 0 0
- -0.7253 -1.1899 0.0036 C 0 0 0
- -3.5768 -1.1255 -0.0022 O 0 0 0
- -3.4921 1.0925 0.0003 O 0 0 0
- 0.6742 1.2060 0.0005 C 0 0 0
- 0.6544 -1.1942 0.0036 C 0 0 0
- 1.3529 -0.0001 -0.0009 C 0 0 0
- 2.8330 -0.0124 -0.0009 N 0 3 0
- 3.4332 -1.0723 -0.0021 O 0 0 0
- 3.4508 1.0373 0.0003 O 0 5 0
- -1.2119 2.1284 0.0000 H 0 0 0
- -1.2474 -2.0849 0.0000 H 0 0 0
- -4.1024 -2.0185 0.0000 H 0 0 0
- 1.2033 2.0969 0.0000 H 0 0 0
- 1.1685 -2.0938 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 8 9 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98736-49-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.0562 -0.9913 0.4768 C 0 0 0
- -0.6609 0.1868 0.4657 C 0 0 0
- 1.4736 -1.0039 0.9885 C 0 0 0
- -0.5249 -2.1630 0.0245 C 0 0 0
- -1.9743 0.1966 -0.0089 C 0 0 0
- 2.3114 -0.1664 0.1266 N 0 0 0
- -1.8274 -2.1616 -0.4415 C 0 0 0
- -2.5523 -0.9880 -0.4690 C 0 0 0
- -2.7249 1.4161 -0.0229 C 0 0 0
- 2.3547 1.1094 0.3120 N 0 0 0
- 3.1000 -0.7779 -0.9460 C 0 0 0
- -3.3203 2.3834 -0.0341 N 0 0 0
- 3.0512 1.8057 -0.4046 O 0 0 0
- -0.1771 1.0401 0.0000 H 0 0 0
- 1.2141 -1.9499 0.0000 H 0 0 0
- 2.3216 -1.4970 0.0000 H 0 0 0
- -0.0083 -2.9969 0.0000 H 0 0 0
- -2.3056 -3.0180 0.0000 H 0 0 0
- -3.5320 -1.0367 0.0000 H 0 0 0
- 2.4989 -1.5531 0.0000 H 0 0 0
- 3.8752 -1.3790 0.0000 H 0 0 0
- 3.7011 -0.0027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 9 12 3 0
- 10 13 2 0
- 7 8 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-38-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.0002 -1.0212 0.0000 C 0 0 0
- -1.1971 -0.3301 0.0001 C 0 0 0
- 1.1972 -0.3299 -0.0002 C 0 0 0
- -1.1971 1.0525 0.0000 C 0 0 0
- -2.5023 -1.0835 -0.0001 C 0 0 0
- 1.1972 1.0522 -0.0003 C 0 0 0
- 2.5023 -1.0835 0.0002 C 0 0 0
- -0.0001 1.7435 0.0002 C 0 0 0
- -0.0002 -2.0581 0.0000 H 0 0 0
- -2.0951 1.5710 0.0000 H 0 0 0
- -3.0207 -0.1854 0.0000 H 0 0 0
- -3.4004 -1.6019 0.0000 H 0 0 0
- -1.9839 -1.9816 0.0000 H 0 0 0
- 2.0952 1.5707 0.0000 H 0 0 0
- 1.9838 -1.9815 0.0000 H 0 0 0
- 3.4003 -1.6020 0.0000 H 0 0 0
- 3.0208 -0.1855 0.0000 H 0 0 0
- -0.0001 2.7804 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 1 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-02-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 0.0450 -0.1440 -0.1867 P 0 0 0
- 0.9804 -1.1846 -0.9831 O 0 0 0
- 0.5673 1.1533 -0.9845 O 0 0 0
- -1.2463 -0.3727 -1.1207 O 0 0 0
- 2.1899 -1.1793 -0.3635 C 0 0 0
- 0.0095 2.2360 -0.3817 C 0 0 0
- -2.0901 -1.1855 -0.4321 C 0 0 0
- 2.4410 -2.0611 0.6775 C 0 0 0
- 3.1776 -0.2959 -0.7748 C 0 0 0
- 0.6174 2.8031 0.7287 C 0 0 0
- -1.1661 2.7797 -0.8794 C 0 0 0
- -3.0104 -0.6424 0.4523 C 0 0 0
- -2.0365 -2.5596 -0.6169 C 0 0 0
- 3.6714 -2.0538 1.3058 C 0 0 0
- 4.4061 -0.2926 -0.1433 C 0 0 0
- 0.0483 3.9038 1.3397 C 0 0 0
- -1.7311 3.8801 -0.2649 C 0 0 0
- -3.8672 -1.4709 1.1512 C 0 0 0
- -2.8952 -3.3836 0.0842 C 0 0 0
- 4.6519 -1.1687 0.8980 C 0 0 0
- -1.1261 4.4401 0.8454 C 0 0 0
- -3.8079 -2.8401 0.9696 C 0 0 0
- 1.8876 -2.7987 0.0000 H 0 0 0
- 2.8474 0.5651 0.0000 H 0 0 0
- 1.5260 2.6458 0.0000 H 0 0 0
- -1.8046 2.1144 0.0000 H 0 0 0
- -3.1187 0.2733 0.0000 H 0 0 0
- -1.1814 -2.9046 0.0000 H 0 0 0
- 4.0049 -2.9135 0.0000 H 0 0 0
- 4.9621 0.4430 0.0000 H 0 0 0
- 0.6842 4.5715 0.0000 H 0 0 0
- -2.6391 4.0405 0.0000 H 0 0 0
- -4.7237 -1.1293 0.0000 H 0 0 0
- -2.7905 -4.2997 0.0000 H 0 0 0
- 5.5377 -1.4248 0.0000 H 0 0 0
- -1.2723 5.3505 0.0000 H 0 0 0
- -4.5995 -3.3130 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 2 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 2 0
- 16 21 2 0
- 18 22 2 0
- 15 20 1 0
- 17 21 1 0
- 19 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-156-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.6565 -1.1230 0.0000 C 0 0 0
- -0.6565 -1.1230 0.0000 C 0 0 0
- 1.5245 0.3804 0.0000 Cl 0 0 0
- -1.5245 0.3804 0.0000 Cl 0 0 0
- 1.3075 -2.2506 0.0000 H 0 0 0
- -1.3075 -2.2506 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-155379-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.5154 0.2489 0.0157 C 0 0 0
- 0.0454 -1.0191 -0.0570 C 0 0 0
- 0.2998 1.3618 0.0819 C 0 0 0
- -1.9869 0.4084 0.0160 N 0 3 0
- 1.4261 -1.1684 -0.0627 C 0 0 0
- -0.7810 -2.1472 -0.1242 N 0 0 0
- 1.6801 1.2125 0.0758 C 0 0 0
- -2.5227 1.1180 -0.8163 O 0 0 0
- -2.6619 -0.1700 0.8487 O 0 5 0
- 2.2411 -0.0558 0.0031 C 0 0 0
- 2.0349 -2.5448 -0.1411 C 0 0 0
- 2.5065 2.3406 0.1434 N 0 0 0
- -0.1202 2.3140 0.0000 H 0 0 0
- -1.8156 -2.0344 0.0000 H 0 0 0
- -0.3614 -3.0996 0.0000 H 0 0 0
- 3.2757 -0.1679 0.0000 H 0 0 0
- 1.0832 -2.9658 0.0000 H 0 0 0
- 2.4559 -3.4965 0.0000 H 0 0 0
- 2.9866 -2.1238 0.0000 H 0 0 0
- 3.5411 2.2278 0.0000 H 0 0 0
- 2.0869 3.2930 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 10 1 0
- 3 13 1 0
- 6 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5908-27-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -2.3027 -0.1937 -0.0693 S 0 0 0
- -2.8700 -1.4963 -0.0897 O 0 0 0
- -2.5377 0.8210 -1.0359 O 0 0 0
- -2.7018 0.4102 1.2696 O 0 0 0
- -0.5572 -0.4321 -0.0403 C 0 0 0
- 0.3229 0.7421 -0.0153 C 0 0 0
- -0.0681 -1.6862 -0.0360 C 0 0 0
- 1.7227 0.5772 0.0086 C 0 0 0
- -0.2134 2.0293 -0.0155 C 0 0 0
- 1.3236 -1.9415 -0.0126 C 0 0 0
- 2.2818 -0.7904 0.0086 C 0 0 0
- 2.5548 1.6906 0.0313 C 0 0 0
- 0.6298 3.1277 0.0077 C 0 0 0
- 1.7375 -3.0840 -0.0090 O 0 0 0
- 3.4806 -0.9755 0.0287 O 0 0 0
- 2.0021 2.9617 0.0303 C 0 0 0
- -3.2766 1.2799 0.0000 H 0 0 0
- -0.7318 -2.4901 0.0000 H 0 0 0
- -1.2471 2.1644 0.0000 H 0 0 0
- 3.5903 1.5701 0.0000 H 0 0 0
- 0.2259 4.0888 0.0000 H 0 0 0
- 2.6251 3.7976 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 1 0
- 7 5 2 0
- 8 6 2 0
- 9 6 1 0
- 10 7 1 0
- 11 8 1 0
- 12 8 1 0
- 13 9 2 0
- 14 10 2 0
- 15 11 2 0
- 16 12 2 0
- 10 11 1 0
- 13 16 1 0
- 4 17 1 0
- 7 18 1 0
- 9 19 1 0
- 12 20 1 0
- 13 21 1 0
- 16 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14064-58-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 1.3217 -0.5201 0.0073 C 0 0 0
- 2.2700 -1.5467 0.0078 C 0 0 0
- 1.7440 0.8117 0.0032 C 0 0 0
- -0.1169 -0.8408 0.0050 C 0 0 0
- 3.6142 -1.2390 0.0042 C 0 0 0
- 3.0920 1.1042 -0.0003 C 0 0 0
- -1.0250 0.1478 0.0046 C 0 0 0
- 4.0250 0.0826 0.0002 C 0 0 0
- -2.4636 -0.1730 0.0023 C 0 0 0
- 5.4699 0.4047 -0.0037 N 0 3 0
- -3.4109 0.8535 0.0018 C 0 0 0
- -2.8853 -1.5052 -0.0052 C 0 0 0
- 5.8347 1.5668 -0.0072 O 0 0 0
- 6.2938 -0.4923 -0.0032 O 0 5 0
- -4.7599 0.5439 -0.0003 C 0 0 0
- -4.2329 -1.8010 -0.0073 C 0 0 0
- -5.1689 -0.7833 -0.0020 C 0 0 0
- -5.6850 1.5395 -0.0003 O 0 0 0
- -6.9683 0.9109 -0.0027 C 0 0 0
- 1.9632 -2.5384 0.0000 H 0 0 0
- 1.0451 1.5791 0.0000 H 0 0 0
- -0.4279 -1.8311 0.0000 H 0 0 0
- 4.3196 -2.0005 0.0000 H 0 0 0
- 3.4072 2.0932 0.0000 H 0 0 0
- -0.7141 1.1382 0.0000 H 0 0 0
- -3.1042 1.8452 0.0000 H 0 0 0
- -2.1853 -2.2716 0.0000 H 0 0 0
- -4.5452 -2.7909 0.0000 H 0 0 0
- -6.1814 -1.0122 0.0000 H 0 0 0
- -7.4249 1.8431 0.0000 H 0 0 0
- -7.9005 0.4543 0.0000 H 0 0 0
- -6.5117 -0.0213 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 18 19 1 0
- 6 8 2 0
- 16 17 2 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 16 28 1 0
- 17 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2687-41-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -0.0800 -1.1113 0.0924 C 0 0 0
- -1.2477 -1.7984 -0.0186 O 0 0 0
- 0.3986 -0.7550 1.3448 C 0 0 0
- 0.6358 -0.7715 -1.0470 C 0 0 0
- -2.2457 -0.8753 -0.0476 C 0 0 0
- 1.5850 -0.0574 1.4581 C 0 0 0
- 1.8220 -0.0741 -0.9348 C 0 0 0
- -3.5707 -1.2851 -0.0066 C 0 0 0
- -1.9385 0.4758 -0.1125 C 0 0 0
- 2.2988 0.2874 0.3184 C 0 0 0
- -4.5846 -0.3483 -0.0359 C 0 0 0
- -2.9517 1.4140 -0.1419 C 0 0 0
- 3.5022 0.9956 0.4327 N 0 0 0
- -4.2779 1.0045 -0.1066 C 0 0 0
- 4.6267 0.5085 -0.1283 C 0 0 0
- -5.3049 1.9544 -0.1369 N 0 0 0
- 5.8909 1.3287 -0.1168 C 0 0 0
- 4.6212 -0.5901 -0.6425 O 0 0 0
- -0.1720 0.1051 0.0000 H 0 0 0
- 1.1192 -1.6835 0.0000 H 0 0 0
- 1.0985 0.8530 0.0000 H 0 0 0
- 2.3964 -0.9318 0.0000 H 0 0 0
- -3.7990 -2.2918 0.0000 H 0 0 0
- -0.9524 0.7810 0.0000 H 0 0 0
- -5.5704 -0.6543 0.0000 H 0 0 0
- -2.7227 2.4205 0.0000 H 0 0 0
- 3.4387 2.0259 0.0000 H 0 0 0
- -5.0768 2.9611 0.0000 H 0 0 0
- -6.2908 1.6486 0.0000 H 0 0 0
- 6.4527 0.4628 0.0000 H 0 0 0
- 6.7568 1.8905 0.0000 H 0 0 0
- 5.3291 2.1946 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 7 10 1 0
- 12 14 2 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-518-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.3506 0.4907 0.0745 C 0 0 0
- -1.3273 -0.9171 0.0906 C 0 0 0
- -0.0910 1.2457 0.2238 C 0 0 0
- -2.5656 1.1598 -0.0883 C 0 0 0
- -0.0394 -1.6250 0.2562 C 0 0 0
- -2.5130 -1.6288 -0.0502 C 0 0 0
- 1.1942 0.5396 0.0805 C 0 0 0
- -0.1138 2.4383 0.4622 O 0 0 0
- -3.7410 0.4276 -0.2331 C 0 0 0
- -2.6005 2.5153 -0.1050 O 0 0 0
- 1.2228 -0.8699 0.0963 C 0 0 0
- -0.0182 -2.8109 0.5204 O 0 0 0
- -3.7121 -0.9518 -0.2063 C 0 0 0
- 2.3857 1.2560 -0.0715 C 0 0 0
- 2.4317 -1.5371 -0.0391 C 0 0 0
- -4.9943 -1.7289 -0.3592 C 0 0 0
- 3.5885 0.5727 -0.2054 C 0 0 0
- 2.3674 2.6117 -0.0887 O 0 0 0
- 3.6122 -0.8122 -0.1905 C 0 0 0
- 4.7934 -1.4676 -0.3222 O 0 0 0
- -2.4992 -2.6674 0.0000 H 0 0 0
- -4.6544 0.9223 0.0000 H 0 0 0
- -2.6272 3.5537 0.0000 H 0 0 0
- 2.4558 -2.5755 0.0000 H 0 0 0
- -5.5327 -0.8406 0.0000 H 0 0 0
- -5.8826 -2.2673 0.0000 H 0 0 0
- -4.4559 -2.6172 0.0000 H 0 0 0
- 4.4817 1.1029 0.0000 H 0 0 0
- 2.3534 3.6503 0.0000 H 0 0 0
- 5.7017 -1.9716 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 2 0
- 11 15 2 0
- 13 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 19 20 1 0
- 7 11 1 0
- 9 13 1 0
- 17 19 2 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-624-92-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.9349 -0.3442 -0.4203 S 0 0 0
- -0.9349 -0.3443 0.4203 S 0 0 0
- 1.7401 0.9190 0.6027 C 0 0 0
- -1.7401 0.9189 -0.6027 C 0 0 0
- 2.6875 0.3151 0.0000 H 0 0 0
- 2.3440 1.8664 0.0000 H 0 0 0
- 0.7927 1.5229 0.0000 H 0 0 0
- -0.7927 1.5228 0.0000 H 0 0 0
- -2.3440 1.8663 0.0000 H 0 0 0
- -2.6875 0.3150 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5667-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.3939 0.4734 0.0022 C 0 0 0
- -1.3608 -0.5462 0.0016 C 0 0 0
- 0.9613 0.1024 0.0010 C 0 0 0
- -1.0586 1.6539 -0.0013 N 0 0 0
- -2.5780 0.0869 0.0031 N 0 0 0
- -0.9626 -1.8140 -0.0006 N 0 0 0
- 1.2636 -1.1919 -0.0008 N 0 0 0
- 1.9582 1.0623 0.0011 N 0 0 0
- -2.3404 1.4292 -0.0040 C 0 0 0
- 0.3191 -2.1147 -0.0021 C 0 0 0
- 3.3188 0.6699 -0.0002 O 0 0 0
- -3.4922 -0.3637 0.0000 H 0 0 0
- 1.7131 2.0516 0.0000 H 0 0 0
- -3.0605 2.1505 0.0000 H 0 0 0
- 0.5926 -3.0965 0.0000 H 0 0 0
- 4.2981 0.3875 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 1 0
- 8 11 1 0
- 5 9 1 0
- 7 10 2 0
- 5 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-159092-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.7330 0.2476 0.0081 C 0 0 0
- 0.3711 -0.2945 -0.0046 C 0 0 0
- 1.9050 1.6501 0.0256 C 0 0 0
- 2.8522 -0.5869 0.0089 C 0 0 0
- -0.7181 0.6063 0.0013 C 0 0 0
- 0.1316 -1.6694 -0.0225 C 0 0 0
- 0.7735 2.4987 0.0311 C 0 0 0
- 3.2033 2.1794 0.0377 C 0 0 0
- 4.1039 -0.0405 0.0213 C 0 0 0
- 2.6831 -2.0574 -0.0031 N 0 3 0
- -0.4792 2.0003 0.0195 C 0 0 0
- -2.0246 0.0989 -0.0106 C 0 0 0
- -1.1536 -2.1326 -0.0343 C 0 0 0
- 4.2773 1.3385 0.0325 C 0 0 0
- 2.6032 -2.6698 1.0467 O 0 0 0
- 2.6238 -2.6550 -1.0628 O 0 5 0
- -1.6294 2.9321 0.0255 N 0 3 0
- -2.2269 -1.2503 -0.0277 C 0 0 0
- -1.6560 3.8716 -0.7492 O 0 0 0
- -2.5491 2.7593 0.8051 O 0 5 0
- -3.6086 -1.7813 -0.0397 N 0 3 0
- -3.7986 -2.9843 -0.0550 O 0 0 0
- -4.5555 -1.0152 -0.0344 O 0 5 0
- 0.9298 -2.3399 0.0000 H 0 0 0
- 0.9111 3.5320 0.0000 H 0 0 0
- 3.3473 3.2118 0.0000 H 0 0 0
- 4.9387 -0.6648 0.0000 H 0 0 0
- -2.8387 0.7500 0.0000 H 0 0 0
- -1.3310 -3.1598 0.0000 H 0 0 0
- 5.2411 1.7355 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 8 14 2 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 17 19 2 0
- 17 20 1 0
- 18 21 1 0
- 21 22 2 0
- 21 23 1 0
- 7 11 2 0
- 9 14 1 0
- 13 18 2 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-764-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.4690 0.4846 0.0000 C 0 0 0
- -0.4690 -0.4846 0.0000 C 0 0 0
- 1.8581 0.1368 0.0000 C 0 0 0
- -1.8581 -0.1368 0.0000 C 0 0 0
- 2.9600 -0.1392 0.0000 N 0 0 0
- -2.9600 0.1392 0.0000 N 0 0 0
- 0.1912 1.4573 0.0000 H 0 0 0
- -0.1912 -1.4573 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 3 0
- 4 6 3 0
- 1 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28657-80-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.4036 0.7132 -0.1642 C 0 0 0
- -0.2375 -0.6800 -0.0245 C 0 0 0
- 0.7057 1.5220 -0.2356 N 0 0 0
- -1.6876 1.2426 -0.2214 C 0 0 0
- -1.3464 -1.5202 0.0518 C 0 0 0
- 1.1403 -1.1970 0.0366 C 0 0 0
- 1.9046 1.0776 -0.1822 N 0 0 0
- 0.5052 2.9659 -0.3808 C 0 0 0
- -2.7846 0.4046 -0.1405 C 0 0 0
- -2.6143 -0.9795 -0.0107 C 0 0 0
- 2.2174 -0.1932 -0.0547 C 0 0 0
- 1.3772 -2.3867 0.1561 O 0 0 0
- 0.7330 3.6505 0.9684 C 0 0 0
- -4.1217 0.6740 -0.1726 O 0 0 0
- -3.8463 -1.5657 0.0405 O 0 0 0
- 3.6290 -0.6102 -0.0030 C 0 0 0
- -4.7647 -0.4984 0.3604 C 0 0 0
- 4.6078 0.3126 -0.0870 O 0 0 0
- 3.9113 -1.7863 0.1154 O 0 0 0
- -1.8223 2.2676 0.0000 H 0 0 0
- -1.2199 -2.5462 0.0000 H 0 0 0
- -0.2909 3.6253 0.0000 H 0 0 0
- -0.3978 2.4626 0.0000 H 0 0 0
- 1.7139 3.3241 0.0000 H 0 0 0
- 1.0594 4.6314 0.0000 H 0 0 0
- -0.2479 3.9769 0.0000 H 0 0 0
- -5.6054 0.1033 0.0000 H 0 0 0
- -5.4623 -1.2613 0.0000 H 0 0 0
- 5.3600 1.0218 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 7 11 2 0
- 9 10 2 0
- 15 17 1 0
- 4 20 1 0
- 5 21 1 0
- 8 22 1 0
- 8 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 17 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -1.3848 0.0001 -0.0012 C 0 0 0
- -2.7848 0.0001 -0.0008 N 0 0 0
- -0.6906 1.2024 0.0001 C 0 0 0
- -0.6904 -1.2027 0.0030 C 0 0 0
- -3.5173 -1.2687 -0.0021 C 0 0 0
- -3.5173 1.2688 0.0009 C 0 0 0
- 0.6906 1.2024 0.0002 C 0 0 0
- 0.6903 -1.2027 0.0032 C 0 0 0
- 1.3848 0.0001 -0.0009 C 0 0 0
- 2.7848 0.0001 -0.0008 N 0 0 0
- 3.5173 -1.2687 -0.0020 C 0 0 0
- 3.5173 1.2688 0.0005 C 0 0 0
- -1.2135 2.1081 0.0000 H 0 0 0
- -1.2133 -2.1084 0.0000 H 0 0 0
- -4.4230 -0.7458 0.0000 H 0 0 0
- -4.0402 -2.1744 0.0000 H 0 0 0
- -2.6116 -1.7916 0.0000 H 0 0 0
- -2.6116 1.7917 0.0000 H 0 0 0
- -4.0402 2.1745 0.0000 H 0 0 0
- -4.4230 0.7459 0.0000 H 0 0 0
- 1.2135 2.1081 0.0000 H 0 0 0
- 1.2132 -2.1084 0.0000 H 0 0 0
- 2.6116 -1.7916 0.0000 H 0 0 0
- 4.0402 -2.1744 0.0000 H 0 0 0
- 4.4230 -0.7458 0.0000 H 0 0 0
- 4.4230 0.7459 0.0000 H 0 0 0
- 4.0402 2.1745 0.0000 H 0 0 0
- 2.6116 1.7917 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 10 11 1 0
- 10 12 1 0
- 8 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-99-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.0948 1.2544 0.0076 C 0 0 1
- 0.4517 -0.1383 -0.3575 N 0 0 0
- 1.3388 2.1075 -0.2009 C 0 0 0
- -1.0603 1.6419 -0.8859 C 0 0 0
- -0.4528 1.2771 1.7338 S 0 0 0
- 1.8707 -0.2010 -0.6494 C 0 0 1
- -0.5262 -1.0759 -0.4100 C 0 0 0
- 2.4724 1.1075 -0.1607 C 0 0 0
- -2.0683 0.7178 -0.9462 N 0 0 0
- -1.0918 2.6870 -1.5003 O 0 0 0
- -2.0060 -0.0589 1.6214 S 0 0 0
- 2.5487 -1.3416 0.1097 C 0 0 2
- -1.9172 -0.5074 -0.1370 C 0 0 2
- -0.3177 -2.2464 -0.6497 O 0 0 0
- 3.7294 1.2597 0.2168 C 0 0 0
- -3.2514 0.9361 -1.7821 C 0 0 0
- 4.0405 -1.1452 0.1121 C 0 0 0
- 2.2331 -2.5857 -0.5185 O 0 0 0
- -2.9972 -1.5286 -0.4997 C 0 0 0
- 4.5935 0.0596 0.1651 C 0 0 0
- -2.8180 -2.7100 0.2840 O 0 0 0
- 2.0638 2.8044 0.0000 H 0 0 0
- 0.7038 2.8873 0.0000 H 0 0 0
- 2.8749 -0.1481 0.0000 H 0 0 0
- 1.5535 -1.4858 0.0000 H 0 0 0
- 4.1331 2.1807 0.0000 H 0 0 0
- -3.0689 1.9250 0.0000 H 0 0 0
- -4.2403 1.1186 0.0000 H 0 0 0
- -3.4339 -0.0528 0.0000 H 0 0 0
- 4.6376 -1.9544 0.0000 H 0 0 0
- 1.9858 -3.5604 0.0000 H 0 0 0
- -3.5272 -0.6740 0.0000 H 0 0 0
- -3.9409 -1.8761 0.0000 H 0 0 0
- 5.5944 0.1569 0.0000 H 0 0 0
- -2.6672 -3.7042 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 15 20 1 0
- 19 21 1 0
- 6 8 1 0
- 9 13 1 0
- 13 11 1 0
- 17 20 2 0
- 3 22 1 0
- 3 23 1 0
- 6 24 1 0
- 12 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102873-32-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.4757 -0.3785 0.4851 C 0 0 0
- -0.9778 -0.2922 0.7709 C 0 0 0
- 1.1704 0.7476 0.0476 C 0 0 0
- 1.1520 -1.5841 0.6585 C 0 0 0
- -1.9046 -0.4985 -0.2491 C 0 0 0
- -1.4210 -0.0103 2.0613 C 0 0 0
- 2.5221 0.6617 -0.2168 C 0 0 0
- 0.4597 2.0333 -0.1335 N 0 3 0
- 2.5042 -1.6586 0.3911 C 0 0 0
- -3.2552 -0.4171 0.0223 C 0 0 0
- -2.7744 0.0688 2.3216 C 0 0 0
- 3.1875 -0.5394 -0.0484 C 0 0 0
- 1.0380 2.9845 -0.6279 O 0 0 0
- -0.7035 2.1401 0.2117 O 0 5 0
- -3.6897 -0.1316 1.3044 C 0 0 0
- -4.2408 -0.6360 -1.0601 N 0 3 0
- 4.6375 -0.6255 -0.3336 N 0 3 0
- -5.4331 -0.5644 -0.8218 O 0 0 0
- -3.8595 -0.8878 -2.1892 O 0 5 0
- 5.2255 -1.6818 -0.1860 O 0 0 0
- 5.2425 0.3601 -0.7158 O 0 5 0
- 0.6521 -2.3862 0.0000 H 0 0 0
- -1.8296 -1.4406 0.0000 H 0 0 0
- -1.1305 0.8890 0.0000 H 0 0 0
- 3.0275 1.4603 0.0000 H 0 0 0
- 2.9438 -2.4952 0.0000 H 0 0 0
- -2.8486 1.0110 0.0000 H 0 0 0
- -4.6190 0.0403 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 10 16 1 0
- 12 17 1 0
- 16 18 2 0
- 16 19 1 0
- 17 20 2 0
- 17 21 1 0
- 9 12 2 0
- 11 15 2 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 9 26 1 0
- 11 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-505-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 3.1038 -0.0085 -0.0013 C 0 0 0
- 1.7458 0.5486 -0.0003 C 0 0 0
- 4.1709 0.8161 -0.0005 O 0 0 0
- 3.2665 -1.2130 0.0022 O 0 0 0
- 0.6765 -0.2776 -0.0011 C 0 0 0
- -0.6765 0.2775 -0.0001 C 0 0 0
- -1.7457 -0.5486 -0.0009 C 0 0 0
- -3.1038 0.0085 0.0001 C 0 0 0
- -4.1709 -0.8161 -0.0007 O 0 0 0
- -3.2665 1.2130 0.0016 O 0 0 0
- 1.6101 1.5528 0.0000 H 0 0 0
- 4.9728 1.4357 0.0000 H 0 0 0
- 0.8121 -1.2818 0.0000 H 0 0 0
- -0.8121 1.2818 0.0000 H 0 0 0
- -1.6100 -1.5528 0.0000 H 0 0 0
- -4.9728 -1.4357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 5 6 1 0
- 6 7 2 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- -0.4504 -0.9129 -0.8187 P 0 0 0
- -1.8028 -0.9579 0.0538 O 0 0 0
- -0.0948 0.6154 -1.1790 O 0 0 0
- 0.7565 -1.5594 0.0283 O 0 0 0
- -0.6437 -1.6822 -2.0682 O 0 0 0
- -2.8723 -0.5991 -0.8234 C 0 0 0
- 0.0667 1.3055 0.0619 C 0 0 0
- 1.8543 -1.7187 -0.8724 C 0 0 0
- -4.1937 -0.6225 -0.0525 C 0 0 0
- 0.4080 2.7718 -0.2107 C 0 0 0
- 3.0411 -2.3321 -0.1266 C 0 0 0
- -5.3389 -0.2383 -0.9916 C 0 0 0
- -4.5064 -2.4290 0.6573 Br 0 0 0
- 0.5809 3.5106 1.1179 C 0 0 0
- 2.0796 2.8751 -1.2403 Br 0 0 0
- 4.2165 -2.5026 -1.0910 C 0 0 0
- 3.5711 -1.1464 1.3494 Br 0 0 0
- -7.0368 -0.2683 -0.0011 Br 0 0 0
- 1.0194 5.3948 0.7677 Br 0 0 0
- 5.7415 -3.2907 -0.1326 Br 0 0 0
- -2.2015 0.1452 0.0000 H 0 0 0
- -3.2877 0.3127 0.0000 H 0 0 0
- 0.7977 0.6203 0.0000 H 0 0 0
- 1.0255 1.5963 0.0000 H 0 0 0
- 2.6327 -1.0878 0.0000 H 0 0 0
- 1.5885 -0.7526 0.0000 H 0 0 0
- -4.0410 0.3678 0.0000 H 0 0 0
- -0.5677 2.9995 0.0000 H 0 0 0
- 2.7349 -3.2861 0.0000 H 0 0 0
- -4.6681 0.5060 0.0000 H 0 0 0
- -5.7543 0.6735 0.0000 H 0 0 0
- 1.3119 2.8254 0.0000 H 0 0 0
- 1.5397 3.8015 0.0000 H 0 0 0
- 4.9948 -1.8716 0.0000 H 0 0 0
- 3.9506 -1.5366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 16 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 14 32 1 0
- 14 33 1 0
- 16 34 1 0
- 16 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-31-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.4385 -0.0881 -0.0032 C 0 0 0
- -0.6605 -0.9365 -0.0021 C 0 0 0
- 0.2508 1.2885 -0.0016 C 0 0 0
- 1.7308 -0.6177 0.0001 N 0 0 0
- -1.9411 -0.4072 0.0005 C 0 0 0
- -1.0277 1.8121 0.0010 C 0 0 0
- 2.8897 0.2785 -0.0010 C 0 0 0
- -2.1225 0.9691 0.0020 C 0 0 0
- -3.0189 -1.2349 0.0010 O 0 0 0
- 4.1756 -0.5506 0.0031 C 0 0 0
- -0.5227 -1.9686 0.0000 H 0 0 0
- 1.0741 1.9259 0.0000 H 0 0 0
- 1.8706 -1.6495 0.0000 H 0 0 0
- -1.1665 2.8440 0.0000 H 0 0 0
- 3.5492 1.0842 0.0000 H 0 0 0
- 2.1637 1.0249 0.0000 H 0 0 0
- -3.0848 1.3667 0.0000 H 0 0 0
- -3.8447 -1.8691 0.0000 H 0 0 0
- 3.6114 -1.4257 0.0000 H 0 0 0
- 5.0507 -1.1148 0.0000 H 0 0 0
- 4.7398 0.3245 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26946-33-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- -1.1742 0.3886 -0.5835 C 0 0 0
- -2.0610 -0.5897 -0.1721 C 0 0 0
- -0.0007 0.0213 -1.4547 C 0 0 0
- -1.3652 1.7038 -0.2021 C 0 0 0
- -3.1376 -0.2565 0.6258 C 0 0 0
- -1.8561 -1.9953 -0.5878 N 0 3 0
- 1.1670 -0.3696 -0.5858 C 0 0 0
- -2.4429 2.0449 0.5916 C 0 0 0
- -3.3295 1.0632 1.0152 C 0 0 0
- -1.8696 -2.2889 -1.7698 O 0 0 0
- -1.6740 -2.8584 0.2520 O 0 5 0
- 2.0670 0.5929 -0.1657 C 0 0 0
- 1.3329 -1.6885 -0.2058 C 0 0 0
- -4.4174 1.4038 1.8223 N 0 0 0
- 3.1377 0.2383 0.6308 C 0 0 0
- 1.8826 2.0044 -0.5708 N 0 3 0
- 2.4017 -2.0502 0.5909 C 0 0 0
- 3.3104 -1.0871 1.0102 C 0 0 0
- 1.8794 2.3038 -1.7514 O 0 0 0
- 1.7339 2.8667 0.2765 O 0 5 0
- 4.3923 -1.4492 1.8158 N 0 0 0
- 0.6866 0.6372 0.0000 H 0 0 0
- -0.1964 0.9232 0.0000 H 0 0 0
- -0.6619 2.3013 0.0000 H 0 0 0
- -3.8390 -0.8563 0.0000 H 0 0 0
- -2.6845 2.9356 0.0000 H 0 0 0
- 0.6181 -2.2722 0.0000 H 0 0 0
- -4.6190 2.3044 0.0000 H 0 0 0
- -5.0966 0.7789 0.0000 H 0 0 0
- 3.8493 0.8259 0.0000 H 0 0 0
- 2.6247 -2.9457 0.0000 H 0 0 0
- 4.5762 -2.3536 0.0000 H 0 0 0
- 5.0836 -0.8377 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 9 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 1 0
- 8 9 2 0
- 17 18 2 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 8 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 21 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-34-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.4231 0.8824 -0.0025 C 0 0 0
- 0.0177 -0.4641 -0.0010 C 0 0 0
- 0.5291 1.9160 -0.0018 C 0 0 0
- -1.7326 1.1527 0.0010 N 0 0 0
- 1.4008 -0.7439 0.0007 C 0 0 0
- -0.9367 -1.4947 -0.0017 C 0 0 0
- 1.8581 1.6192 0.0003 C 0 0 0
- -2.6267 0.1932 0.0058 C 0 0 0
- 2.3017 0.3007 0.0009 C 0 0 0
- 1.8516 -2.0608 0.0018 N 0 0 0
- -2.2597 -1.1494 -0.0038 C 0 0 0
- 0.2174 2.9120 0.0000 H 0 0 0
- -0.6440 -2.4964 0.0000 H 0 0 0
- 2.5564 2.3948 0.0000 H 0 0 0
- -3.6400 0.4429 0.0000 H 0 0 0
- 3.3258 0.1000 0.0000 H 0 0 0
- 1.1655 -2.8472 0.0000 H 0 0 0
- 2.8757 -2.2618 0.0000 H 0 0 0
- -2.9934 -1.8916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16650-32-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.6793 -0.3927 0.0020 C 0 0 0
- -0.7234 -0.1944 0.0011 C 0 0 0
- 1.5386 0.7207 0.0009 C 0 0 0
- 1.1827 -1.7066 -0.0018 C 0 0 0
- -1.2287 1.1195 -0.0006 C 0 0 0
- -1.5444 -1.2493 0.0021 N 0 0 0
- 1.0116 1.9784 -0.0012 C 0 0 0
- 2.8781 0.5452 0.0013 F 0 0 0
- 0.2887 -2.7394 -0.0062 C 0 0 0
- -0.3671 2.1755 -0.0012 C 0 0 0
- -2.5627 1.3329 -0.0010 F 0 0 0
- -1.0790 -2.4749 0.0041 C 0 0 0
- 2.1918 -1.8838 0.0000 H 0 0 0
- 1.6381 2.7890 0.0000 H 0 0 0
- 0.6237 -3.7076 0.0000 H 0 0 0
- -0.7397 3.1298 0.0000 H 0 0 0
- -1.7386 -3.2588 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 10 1 0
- 9 12 1 0
- 4 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1214-32-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.0966 -0.5340 -0.0009 C 0 0 0
- -1.5796 -0.4889 -0.0010 C 0 0 0
- 0.4072 0.7638 0.0000 C 0 0 0
- 0.7897 -1.6132 0.0036 C 0 0 0
- -2.0028 0.8381 -0.0001 C 0 0 0
- -2.5289 -1.5139 -0.0018 C 0 0 0
- -0.7697 1.7083 0.0006 C 0 0 0
- 1.7690 0.9805 0.0003 C 0 0 0
- 2.1501 -1.3868 0.0025 C 0 0 0
- -3.3468 1.1397 0.0004 C 0 0 0
- -3.8724 -1.2099 -0.0017 C 0 0 0
- 2.6413 -0.0934 -0.0004 C 0 0 0
- -4.2886 0.1168 0.0000 C 0 0 0
- 4.1027 0.1419 -0.0006 N 0 3 0
- -5.6505 0.4214 0.0010 N 0 0 0
- 4.8717 -0.8027 -0.0012 O 0 0 0
- 4.5363 1.2801 -0.0002 O 0 5 0
- 0.4232 -2.5895 0.0000 H 0 0 0
- -2.2201 -2.5100 0.0000 H 0 0 0
- -0.0440 2.4573 0.0000 H 0 0 0
- -1.4478 2.5006 0.0000 H 0 0 0
- 2.1416 1.9545 0.0000 H 0 0 0
- 2.8110 -2.1935 0.0000 H 0 0 0
- -3.6579 2.1350 0.0000 H 0 0 0
- -4.5792 -1.9767 0.0000 H 0 0 0
- -5.9622 1.4166 0.0000 H 0 0 0
- -6.3565 -0.3461 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78111-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-125131 1 V2000
- 7.5090 0.2541 -1.7466 C 0 0 1
- 7.4983 -0.3688 -0.4618 O 0 0 0
- 6.4320 1.1898 -1.8241 O 0 0 0
- 8.8380 0.9937 -1.9348 C 0 0 1
- 7.3549 -0.7768 -2.8300 C 0 0 0
- 6.2674 -1.0890 -0.3598 C 0 0 1
- 6.5126 2.0324 -0.6763 C 0 0 1
- 9.0035 2.0141 -0.8031 C 0 0 0
- 9.9153 0.0557 -1.8917 O 0 0 0
- 6.8367 -1.9510 -2.6066 C 0 0 0
- 6.3605 -2.3446 -1.2323 C 0 0 0
- 6.0278 -1.4924 1.0965 C 0 0 1
- 7.7618 2.9119 -0.7658 C 0 0 0
- 5.2688 2.9209 -0.6091 C 0 0 0
- 6.7108 -2.9328 -3.7429 C 0 0 0
- 4.7300 -2.2512 1.2004 C 0 0 0
- 7.1777 -2.3808 1.5754 C 0 0 0
- 4.4912 2.6137 0.6723 C 0 0 1
- 3.7639 -1.7958 1.9589 C 0 0 0
- 3.7707 3.8547 1.1324 C 0 0 0
- 3.4731 1.5051 0.3976 C 0 0 0
- 5.3991 2.1853 1.6892 O 0 0 0
- 2.4660 -2.5546 2.0629 C 0 0 2
- 2.8630 4.4385 0.3343 O 0 0 0
- 4.0101 4.3242 2.2197 O 0 0 0
- 1.3725 -1.7359 1.6169 O 0 0 0
- 2.1501 -2.8795 3.5448 C 0 0 0
- 0.2145 -1.9917 2.4176 C 0 0 2
- 0.6047 -3.0272 3.4918 C 0 0 0
- -0.8361 -2.5118 1.6110 O 0 0 0
- -0.2418 -0.7010 3.0996 C 0 0 0
- -1.0436 -1.6137 0.5197 C 0 0 2
- -0.5756 0.3326 2.0198 C 0 0 0
- -1.5819 -0.2764 1.0342 C 0 0 1
- -2.0848 -2.2411 -0.4228 C 0 0 1
- -1.7502 0.6366 -0.0520 O 0 0 0
- -2.5316 -1.1726 -1.3991 C 0 0 0
- -1.4870 -3.3223 -1.1408 O 0 0 0
- -2.8585 0.1935 -0.8346 C 0 0 1
- -2.6308 -1.4208 -2.6815 C 0 0 0
- -4.1058 0.1006 0.0467 C 0 0 2
- -5.3570 0.1905 -0.8293 C 0 0 0
- -4.1051 1.1758 0.9880 O 0 0 0
- -6.5630 -0.3407 -0.0519 C 0 0 1
- -7.7417 0.6200 -0.2205 C 0 0 1
- -6.9487 -1.7204 -0.5892 C 0 0 0
- -8.9645 -0.1034 -0.0958 O 0 0 0
- -7.6703 1.7066 0.8548 C 0 0 1
- -10.0275 0.7850 -0.4395 C 0 0 2
- -8.8365 2.6817 0.6580 C 0 0 0
- -7.7724 1.0621 2.2386 C 0 0 0
- -10.1438 1.8821 0.6222 C 0 0 0
- -11.3424 0.0031 -0.5049 C 0 0 0
- -9.7602 1.3805 -1.7088 O 0 0 0
- -11.2061 -1.1143 -1.5454 C 0 0 0
- -9.4826 0.3265 -2.6286 C 0 0 0
- -10.7494 -0.4968 -2.8720 C 0 0 0
- 8.0917 1.5174 0.0000 H 0 0 0
- 8.2306 -1.0305 0.0000 H 0 0 0
- 5.6248 -0.4422 0.0000 H 0 0 0
- 7.3009 1.5744 0.0000 H 0 0 0
- 9.8701 1.7309 0.0000 H 0 0 0
- 9.4172 2.8266 0.0000 H 0 0 0
- 10.6029 -0.5430 0.0000 H 0 0 0
- 5.4842 -2.5962 0.0000 H 0 0 0
- 6.7857 -3.1511 0.0000 H 0 0 0
- 5.3853 -0.8455 0.0000 H 0 0 0
- 8.3742 3.5873 0.0000 H 0 0 0
- 7.1580 3.5950 0.0000 H 0 0 0
- 5.9302 3.5484 0.0000 H 0 0 0
- 4.7786 3.6896 0.0000 H 0 0 0
- 5.8065 -2.8168 0.0000 H 0 0 0
- 6.5948 -3.8371 0.0000 H 0 0 0
- 7.6151 -3.0488 0.0000 H 0 0 0
- 4.7704 -3.1620 0.0000 H 0 0 0
- 6.6203 -3.1023 0.0000 H 0 0 0
- 7.8992 -2.9382 0.0000 H 0 0 0
- 7.7351 -1.6593 0.0000 H 0 0 0
- 3.7235 -0.8850 0.0000 H 0 0 0
- 2.8016 2.1218 0.0000 H 0 0 0
- 2.8564 0.8336 0.0000 H 0 0 0
- 4.1446 0.8884 0.0000 H 0 0 0
- 6.2236 1.7962 0.0000 H 0 0 0
- 3.0280 -3.2725 0.0000 H 0 0 0
- 2.0962 4.9317 0.0000 H 0 0 0
- 1.9747 -3.7742 0.0000 H 0 0 0
- 2.9577 -3.3025 0.0000 H 0 0 0
- -0.2735 -3.2721 0.0000 H 0 0 0
- 0.7712 -3.9236 0.0000 H 0 0 0
- -1.1350 -0.5180 0.0000 H 0 0 0
- -0.8406 -1.3885 0.0000 H 0 0 0
- -0.1739 -1.3400 0.0000 H 0 0 0
- 0.2678 0.6789 0.0000 H 0 0 0
- -0.9860 1.1467 0.0000 H 0 0 0
- -2.4575 -0.5305 0.0000 H 0 0 0
- -2.9055 -2.6381 0.0000 H 0 0 0
- -1.0459 -4.1202 0.0000 H 0 0 0
- -3.0640 1.0818 0.0000 H 0 0 0
- -3.5332 -1.5511 0.0000 H 0 0 0
- -2.0668 -2.1371 0.0000 H 0 0 0
- -4.1046 -0.8111 0.0000 H 0 0 0
- -4.9744 1.0180 0.0000 H 0 0 0
- -5.9958 0.8410 0.0000 H 0 0 0
- -4.1045 2.0875 0.0000 H 0 0 0
- -5.8741 -0.9379 0.0000 H 0 0 0
- -6.9058 0.9840 0.0000 H 0 0 0
- -7.8267 -1.4749 0.0000 H 0 0 0
- -7.1942 -2.5984 0.0000 H 0 0 0
- -6.0707 -1.9659 0.0000 H 0 0 0
- -6.8321 2.0653 0.0000 H 0 0 0
- -8.1794 3.3137 0.0000 H 0 0 0
- -9.3936 3.4034 0.0000 H 0 0 0
- -8.6729 1.2048 0.0000 H 0 0 0
- -7.9151 0.1616 0.0000 H 0 0 0
- -6.8719 0.9194 0.0000 H 0 0 0
- -10.4998 2.7214 0.0000 H 0 0 0
- -11.0264 1.6535 0.0000 H 0 0 0
- -11.6958 0.8435 0.0000 H 0 0 0
- -12.2235 -0.2311 0.0000 H 0 0 0
- -12.0486 -1.4628 0.0000 H 0 0 0
- -10.6449 -1.8328 0.0000 H 0 0 0
- -9.0697 -0.4863 0.0000 H 0 0 0
- -8.6306 0.6509 0.0000 H 0 0 0
- -10.9054 0.4015 0.0000 H 0 0 0
- -11.6366 -0.2868 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 10 15 1 0
- 12 16 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 2 0
- 18 20 1 0
- 18 21 1 0
- 18 22 1 0
- 19 23 1 0
- 20 24 1 0
- 20 25 2 0
- 23 26 1 0
- 23 27 1 0
- 28 26 1 0
- 27 29 1 0
- 28 30 1 0
- 28 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 32 35 1 0
- 34 36 1 0
- 35 37 1 0
- 35 38 1 0
- 36 39 1 0
- 37 40 2 0
- 39 41 1 0
- 41 42 1 0
- 41 43 1 0
- 42 44 1 0
- 44 45 1 0
- 44 46 1 0
- 45 47 1 0
- 45 48 1 0
- 47 49 1 0
- 48 50 1 0
- 48 51 1 0
- 49 52 1 0
- 49 53 1 0
- 49 54 1 0
- 53 55 1 0
- 54 56 1 0
- 55 57 1 0
- 8 13 1 0
- 10 11 1 0
- 28 29 1 0
- 33 34 1 0
- 37 39 1 0
- 50 52 1 0
- 56 57 1 0
- 4 58 1 0
- 5 59 1 0
- 6 60 1 0
- 7 61 1 0
- 8 62 1 0
- 8 63 1 0
- 9 64 1 0
- 11 65 1 0
- 11 66 1 0
- 12 67 1 0
- 13 68 1 0
- 13 69 1 0
- 14 70 1 0
- 14 71 1 0
- 15 72 1 0
- 15 73 1 0
- 15 74 1 0
- 16 75 1 0
- 17 76 1 0
- 17 77 1 0
- 17 78 1 0
- 19 79 1 0
- 21 80 1 0
- 21 81 1 0
- 21 82 1 0
- 22 83 1 0
- 23 84 1 0
- 24 85 1 0
- 27 86 1 0
- 27 87 1 0
- 29 88 1 0
- 29 89 1 0
- 31 90 1 0
- 31 91 1 0
- 32 92 1 0
- 33 93 1 0
- 33 94 1 0
- 34 95 1 0
- 35 96 1 0
- 38 97 1 0
- 39 98 1 0
- 40 99 1 0
- 40100 1 0
- 41101 1 0
- 42102 1 0
- 42103 1 0
- 43104 1 0
- 44105 1 0
- 45106 1 0
- 46107 1 0
- 46108 1 0
- 46109 1 0
- 48110 1 0
- 50111 1 0
- 50112 1 0
- 51113 1 0
- 51114 1 0
- 51115 1 0
- 52116 1 0
- 52117 1 0
- 53118 1 0
- 53119 1 0
- 55120 1 0
- 55121 1 0
- 56122 1 0
- 56123 1 0
- 57124 1 0
- 57125 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107673-63-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.6447 0.6262 -0.0054 C 0 0 0
- -1.1193 -0.6856 -0.0029 C 0 0 0
- 0.7551 0.7911 -0.0027 C 0 0 0
- -1.8265 1.4821 -0.0048 C 0 0 0
- -2.5229 -0.7053 -0.0033 C 0 0 0
- -0.3165 -1.8311 -0.0004 C 0 0 0
- 1.5910 -0.3596 -0.0013 C 0 0 0
- 1.3292 2.0785 -0.0003 C 0 0 0
- -2.9394 0.6965 -0.0006 C 0 0 0
- -3.1284 -1.9566 0.0000 C 0 0 0
- 1.0730 -1.6543 -0.0011 C 0 0 0
- -0.9726 -3.0766 0.0030 C 0 0 0
- 3.0487 -0.1578 -0.0004 C 0 0 0
- 2.6667 2.2585 0.0030 C 0 0 0
- -4.3382 1.1813 0.0016 N 0 3 0
- -2.3416 -3.1055 0.0029 C 0 0 0
- 3.5573 1.1587 0.0027 C 0 0 0
- 3.9276 -1.2412 -0.0030 C 0 0 0
- -4.5682 2.3774 -0.0007 O 0 0 0
- -5.2591 0.3841 0.0058 O 0 5 0
- 4.9450 1.3571 0.0049 C 0 0 0
- 5.2857 -1.0142 -0.0014 C 0 0 0
- 5.7854 0.2822 0.0026 C 0 0 0
- -1.8201 2.5312 0.0000 H 0 0 0
- 0.7005 2.9184 0.0000 H 0 0 0
- -4.1746 -2.0351 0.0000 H 0 0 0
- 1.7149 -2.4841 0.0000 H 0 0 0
- -0.4211 -3.9690 0.0000 H 0 0 0
- 3.0541 3.2335 0.0000 H 0 0 0
- -2.8210 -4.0386 0.0000 H 0 0 0
- 3.5562 -2.2224 0.0000 H 0 0 0
- 5.3367 2.3303 0.0000 H 0 0 0
- 5.9488 -1.8271 0.0000 H 0 0 0
- 6.8231 0.4367 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 13 17 2 0
- 13 18 1 0
- 15 19 2 0
- 15 20 1 0
- 17 21 1 0
- 18 22 2 0
- 21 23 2 0
- 5 9 1 0
- 7 11 2 0
- 12 16 1 0
- 14 17 1 0
- 22 23 1 0
- 4 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 21 32 1 0
- 22 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50935-04-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 68 1 V2000
- 2.0198 0.3269 -1.0873 O 0 0 0
- 1.6956 -0.7566 -0.2138 C 0 0 0
- 3.2738 0.8517 -0.6466 C 0 0 0
- 0.1977 -0.8778 -0.0982 C 0 0 0
- 2.2997 -2.0485 -0.7595 C 0 0 0
- 3.6811 2.0218 -1.5450 C 0 0 0
- 3.1548 1.2973 0.7030 O 0 0 0
- -0.4469 -2.0887 -0.0973 C 0 0 0
- -0.5376 0.3108 0.0120 C 0 0 0
- 1.7713 -3.2188 0.0787 C 0 0 0
- 5.0438 2.5530 -1.0860 C 0 0 0
- 4.4613 1.6407 1.1609 C 0 0 0
- -1.8429 -2.1420 0.0212 C 0 0 0
- 0.2867 -3.3986 -0.2295 C 0 0 0
- 0.1068 1.5042 0.0070 O 0 0 0
- -1.9241 0.2748 0.1262 C 0 0 0
- 2.5199 -4.4773 -0.2773 C 0 0 0
- 1.9441 -2.9326 1.4681 O 0 0 0
- 5.3703 3.7746 -1.8337 N 0 0 0
- 4.9658 2.8754 0.4106 C 0 0 0
- 4.4139 1.9394 2.6607 C 0 0 0
- -2.4727 -3.3430 0.0277 O 0 0 0
- -2.5869 -0.9706 0.1327 C 0 0 0
- -2.7070 1.5196 0.2402 C 0 0 0
- 3.7770 -4.8429 0.4690 C 0 0 0
- 2.1125 -5.1927 -1.1608 O 0 0 0
- 6.2651 3.2265 0.8905 O 0 0 0
- -4.0555 -1.0153 0.2552 C 0 0 0
- -2.1536 2.5741 0.4872 O 0 0 0
- -4.1696 1.4704 0.0516 C 0 0 0
- -4.6203 -2.0607 0.5129 O 0 0 0
- -4.8330 0.2279 0.0601 C 0 0 0
- -4.9031 2.6446 -0.1337 C 0 0 0
- -6.2103 0.1804 -0.1171 C 0 0 0
- -4.2753 3.8465 -0.1417 O 0 0 0
- -6.2823 2.5740 -0.3107 C 0 0 0
- -6.9258 1.3536 -0.2991 C 0 0 0
- 2.7235 -0.6811 0.0000 H 0 0 0
- 4.0246 0.1456 0.0000 H 0 0 0
- 3.1135 -2.6808 0.0000 H 0 0 0
- 3.1051 -1.4054 0.0000 H 0 0 0
- 3.5412 3.0429 0.0000 H 0 0 0
- 2.6556 2.1241 0.0000 H 0 0 0
- 5.8117 1.8656 0.0000 H 0 0 0
- 5.1408 0.8658 0.0000 H 0 0 0
- -0.6702 -3.7814 0.0000 H 0 0 0
- 0.5422 -4.3971 0.0000 H 0 0 0
- 0.5965 2.4111 0.0000 H 0 0 0
- 2.4768 -2.0503 0.0000 H 0 0 0
- 6.3656 4.0420 0.0000 H 0 0 0
- 4.6411 4.5029 0.0000 H 0 0 0
- 4.2836 3.6479 0.0000 H 0 0 0
- 5.4318 2.1009 0.0000 H 0 0 0
- 4.2524 2.9573 0.0000 H 0 0 0
- 3.3960 1.7779 0.0000 H 0 0 0
- -2.9513 -4.2557 0.0000 H 0 0 0
- 3.4892 -5.8325 0.0000 H 0 0 0
- 4.7666 -5.1307 0.0000 H 0 0 0
- 4.0648 -3.8533 0.0000 H 0 0 0
- 7.2600 3.4954 0.0000 H 0 0 0
- -6.6993 -0.7268 0.0000 H 0 0 0
- -3.7981 4.7600 0.0000 H 0 0 0
- -6.8370 3.4426 0.0000 H 0 0 0
- -7.9559 1.3214 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 2 0
- 9 4 1 0
- 10 5 1 0
- 11 6 1 0
- 12 7 1 0
- 13 8 1 0
- 14 8 1 0
- 15 9 1 0
- 16 9 2 0
- 17 10 1 0
- 18 10 1 0
- 19 11 1 0
- 20 11 1 0
- 21 12 1 0
- 22 13 1 0
- 23 13 2 0
- 24 16 1 0
- 25 17 1 0
- 26 17 2 0
- 27 20 1 0
- 28 23 1 0
- 29 24 2 0
- 30 24 1 0
- 31 28 2 0
- 32 28 1 0
- 33 30 2 0
- 34 32 2 0
- 35 33 1 0
- 36 33 1 0
- 37 34 1 0
- 10 14 1 0
- 12 20 1 0
- 16 23 1 0
- 30 32 1 0
- 36 37 2 0
- 2 38 1 0
- 3 39 1 0
- 5 40 1 0
- 5 41 1 0
- 6 42 1 0
- 6 43 1 0
- 11 44 1 0
- 12 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 21 55 1 0
- 22 56 1 0
- 25 57 1 0
- 25 58 1 0
- 25 59 1 0
- 27 60 1 0
- 34 61 1 0
- 35 62 1 0
- 36 63 1 0
- 37 64 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129401-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -0.8393 -0.0694 0.7787 N 0 0 0
- -2.1360 -0.0470 0.2602 C 0 0 0
- -0.2111 1.2009 0.3983 C 0 0 0
- -0.1231 -1.1407 0.0771 C 0 0 0
- -2.9850 -1.1283 0.4611 C 0 0 0
- -2.5816 1.0587 -0.4525 C 0 0 0
- 1.2141 1.2566 0.9578 C 0 0 0
- 1.3079 -1.2396 0.6154 C 0 0 0
- -4.2665 -1.1027 -0.0525 C 0 0 0
- -3.8647 1.0777 -0.9636 C 0 0 0
- 1.9494 0.0773 0.4736 N 0 0 0
- -4.7052 -0.0023 -0.7663 C 0 0 0
- 3.1715 0.1994 -0.0815 C 0 0 0
- 3.8857 -0.9953 -0.5576 C 0 0 0
- 3.6837 1.2971 -0.1887 O 0 0 0
- 5.0916 -0.8748 -1.1053 C 0 0 0
- -0.0879 2.1657 0.0000 H 0 0 0
- -1.1423 1.4820 0.0000 H 0 0 0
- -1.0300 -1.4923 0.0000 H 0 0 0
- 0.0227 -2.1024 0.0000 H 0 0 0
- -2.5684 -2.0072 0.0000 H 0 0 0
- -2.0314 1.8608 0.0000 H 0 0 0
- 2.1157 1.6216 0.0000 H 0 0 0
- 1.0095 2.2075 0.0000 H 0 0 0
- 1.1174 -2.1934 0.0000 H 0 0 0
- 2.2296 -1.5504 0.0000 H 0 0 0
- -4.8203 -1.9023 0.0000 H 0 0 0
- -4.2854 1.9547 0.0000 H 0 0 0
- -5.6682 0.1344 0.0000 H 0 0 0
- 3.4485 -1.8642 0.0000 H 0 0 0
- 5.6593 -1.6646 0.0000 H 0 0 0
- 5.4918 0.0117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 2 0
- 8 11 1 0
- 10 12 2 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.3214 -0.2698 0.0024 C 0 0 0
- -0.6058 -1.4735 0.0011 C 0 0 0
- -0.6319 0.9491 0.0024 C 0 0 0
- -2.7899 -0.2856 -0.0024 C 0 0 0
- 0.7599 -1.4563 -0.0001 C 0 0 0
- 0.7446 0.9553 0.0012 C 0 0 0
- -3.4076 0.7582 -0.0013 O 0 0 0
- 1.4453 -0.2461 -0.0001 C 0 0 0
- 2.8018 -0.2374 -0.0013 O 0 0 0
- 3.2062 1.1332 -0.0009 C 0 0 0
- -1.1159 -2.3834 0.0000 H 0 0 0
- -1.1595 1.8490 0.0000 H 0 0 0
- -3.3017 -1.1945 0.0000 H 0 0 0
- 1.2909 -2.3542 0.0000 H 0 0 0
- 1.2621 1.8610 0.0000 H 0 0 0
- 4.2067 0.8380 0.0000 H 0 0 0
- 3.5014 2.1337 0.0000 H 0 0 0
- 2.2057 1.4284 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.9701 -0.4412 0.0027 C 0 0 0
- 0.4706 -0.5914 0.0037 C 0 0 0
- 2.6576 -0.3662 1.1994 C 0 0 0
- 2.6580 -0.3841 -1.1952 C 0 0 0
- -0.3016 1.0500 -0.0045 S 0 0 0
- 4.0331 -0.2288 1.1992 C 0 0 0
- 4.0331 -0.2468 -1.1968 C 0 0 0
- -2.0020 0.5882 -0.0019 C 0 0 0
- 4.7215 -0.1664 0.0009 C 0 0 0
- -2.9892 1.5665 -0.0067 C 0 0 0
- -2.3587 -0.7546 -0.0008 C 0 0 0
- 6.4489 0.0062 -0.0002 Cl 0 0 0
- -4.3207 1.2015 -0.0051 C 0 0 0
- -3.6923 -1.1134 0.0007 C 0 0 0
- -4.6729 -0.1371 0.0012 C 0 0 0
- -6.3483 -0.5920 0.0038 Cl 0 0 0
- -0.5124 -0.9242 0.0000 H 0 0 0
- 0.6901 -1.6057 0.0000 H 0 0 0
- 2.5497 0.6660 0.0000 H 0 0 0
- 2.7525 -1.4176 0.0000 H 0 0 0
- 3.9347 0.8043 0.0000 H 0 0 0
- 4.1449 -1.2786 0.0000 H 0 0 0
- -2.7258 2.5703 0.0000 H 0 0 0
- -1.6237 -1.4873 0.0000 H 0 0 0
- -5.0583 1.9316 0.0000 H 0 0 0
- -3.9593 -2.1163 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 7 9 1 0
- 14 15 2 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-319-84-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.2492 -0.4636 -0.6086 C 0 0 0
- -1.2492 0.4636 0.6086 C 0 0 0
- 0.0000 -1.3464 -0.5772 C 0 0 0
- -2.7214 -1.5039 -0.5716 Cl 0 0 0
- 0.0000 1.3464 0.5772 C 0 0 0
- -2.7214 1.5039 0.5716 Cl 0 0 0
- 1.2492 -0.4636 -0.6086 C 0 0 0
- 0.0000 -2.3343 0.9311 Cl 0 0 0
- 1.2492 0.4636 0.6086 C 0 0 0
- 0.0000 2.3343 -0.9311 Cl 0 0 0
- 2.7214 -1.5039 -0.5716 Cl 0 0 0
- 2.7214 1.5039 0.5716 Cl 0 0 0
- -0.2304 0.0639 0.0000 H 0 0 0
- -0.2304 -0.0639 0.0000 H 0 0 0
- -1.0188 -1.8739 0.0000 H 0 0 0
- -1.0188 1.8739 0.0000 H 0 0 0
- 0.2304 0.0639 0.0000 H 0 0 0
- 0.2304 -0.0639 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 1 0
- 1 13 1 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5234-68-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.4308 -0.0250 0.1318 C 0 0 0
- -0.0104 0.0177 0.3892 C 0 0 0
- 2.0613 1.0949 -0.2044 C 0 0 0
- 2.2857 -1.5617 0.2835 S 0 0 0
- -0.8779 -0.3596 -0.5709 N 0 0 0
- -0.4248 0.3940 1.4702 O 0 0 0
- 3.3332 1.2906 -0.5241 O 0 0 0
- 1.1997 2.3312 -0.2263 C 0 0 0
- 3.8602 -1.0669 -0.4864 C 0 0 0
- -2.2533 -0.2071 -0.3696 C 0 0 0
- 4.2011 0.3300 0.0547 C 0 0 0
- -3.1023 -1.2970 -0.5108 C 0 0 0
- -2.7727 1.0337 -0.0224 C 0 0 0
- -4.4604 -1.1430 -0.3113 C 0 0 0
- -4.1313 1.1808 0.1756 C 0 0 0
- -4.9748 0.0946 0.0286 C 0 0 0
- -0.7248 -1.3732 0.0000 H 0 0 0
- 2.0407 2.9173 0.0000 H 0 0 0
- 0.6136 3.1722 0.0000 H 0 0 0
- 0.3587 1.7451 0.0000 H 0 0 0
- 3.9862 -2.0842 0.0000 H 0 0 0
- 4.8836 -1.1264 0.0000 H 0 0 0
- 5.1293 -0.1050 0.0000 H 0 0 0
- 4.8109 1.1540 0.0000 H 0 0 0
- -2.7049 -2.2420 0.0000 H 0 0 0
- -2.1596 1.8553 0.0000 H 0 0 0
- -5.0766 -1.9622 0.0000 H 0 0 0
- -4.5317 2.1245 0.0000 H 0 0 0
- -5.9908 0.2307 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 9 11 1 0
- 15 16 1 0
- 5 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2597-03-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -0.8788 -0.0339 0.2230 C 0 0 0
- -2.3292 -0.4403 0.1759 C 0 0 0
- 0.1015 -1.1725 -0.7934 S 0 0 0
- -0.7325 1.3681 -0.3100 C 0 0 0
- -3.0186 -0.6790 1.3498 C 0 0 0
- -2.9719 -0.5689 -1.0415 C 0 0 0
- 2.0349 -0.7927 -0.0110 P 0 0 0
- -0.2268 2.3343 0.4727 O 0 0 0
- -1.0703 1.6225 -1.4418 O 0 0 0
- -4.3492 -1.0519 1.3065 C 0 0 0
- -4.3021 -0.9416 -1.0848 C 0 0 0
- 2.1310 -1.3730 1.4877 O 0 0 0
- 3.1390 -1.5113 -0.9366 O 0 0 0
- 2.3453 1.0447 0.0132 S 0 0 0
- -0.0858 3.6851 -0.0408 C 0 0 0
- -4.9901 -1.1860 0.0893 C 0 0 0
- 1.6597 -2.7212 1.4395 C 0 0 0
- 4.4162 -1.0577 -0.4837 C 0 0 0
- 0.5104 4.5836 1.0446 C 0 0 0
- 0.0913 0.2698 0.0000 H 0 0 0
- -2.7150 -1.6491 0.0000 H 0 0 0
- -3.2089 0.4196 0.0000 H 0 0 0
- -4.1078 -2.0393 0.0000 H 0 0 0
- -4.6095 0.0273 0.0000 H 0 0 0
- -0.6781 4.5113 0.0000 H 0 0 0
- -1.0684 3.4248 0.0000 H 0 0 0
- -5.9688 -1.4609 0.0000 H 0 0 0
- 0.7001 -2.3858 0.0000 H 0 0 0
- 1.3243 -3.6808 0.0000 H 0 0 0
- 2.6193 -3.0566 0.0000 H 0 0 0
- 4.7564 -2.0156 0.0000 H 0 0 0
- 5.3741 -0.7175 0.0000 H 0 0 0
- 4.0760 -0.0998 0.0000 H 0 0 0
- 1.3574 4.0216 0.0000 H 0 0 0
- 1.0724 5.4306 0.0000 H 0 0 0
- -0.3366 5.1456 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 7 14 2 0
- 8 15 1 0
- 10 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 1 0
- 11 16 1 0
- 1 20 1 0
- 5 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-333-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 0.4739 -1.1052 0.6455 O 0 0 0
- -0.6818 -0.4700 0.3334 C 0 0 0
- 1.6752 -0.1683 0.1247 P 0 0 0
- -1.8512 -1.0759 0.5030 N 0 0 0
- -0.6616 0.8317 -0.1654 C 0 0 0
- 1.6186 1.2494 0.8856 O 0 0 0
- 3.0847 -0.8846 0.4284 O 0 0 0
- 1.4996 0.1042 -1.7104 S 0 0 0
- -2.9776 -0.4618 0.2013 C 0 0 0
- -1.8663 1.4371 -0.4684 C 0 0 0
- 2.7924 1.9698 0.5045 C 0 0 0
- 3.0295 -2.1782 -0.1762 C 0 0 0
- -2.9928 0.7659 -0.2769 N 0 0 0
- -4.2841 -1.1838 0.4083 C 0 0 0
- -1.8987 2.8433 -1.0093 C 0 0 0
- 2.8006 3.3342 1.1968 C 0 0 0
- 4.3458 -2.9159 0.0766 C 0 0 0
- -5.1490 -0.3996 1.3972 C 0 0 0
- -5.0184 -1.3029 -0.9286 C 0 0 0
- 0.1843 1.3443 0.0000 H 0 0 0
- 3.1454 1.0459 0.0000 H 0 0 0
- 3.7656 2.1464 0.0000 H 0 0 0
- 2.0599 -1.9830 0.0000 H 0 0 0
- 2.6859 -3.1057 0.0000 H 0 0 0
- -3.9610 -2.1186 0.0000 H 0 0 0
- -0.9099 2.8661 0.0000 H 0 0 0
- -1.9215 3.8321 0.0000 H 0 0 0
- -2.8875 2.8205 0.0000 H 0 0 0
- 3.7897 3.3283 0.0000 H 0 0 0
- 2.8065 4.3233 0.0000 H 0 0 0
- 1.8115 3.3401 0.0000 H 0 0 0
- 3.8623 -3.7787 0.0000 H 0 0 0
- 5.2086 -3.3994 0.0000 H 0 0 0
- 4.8293 -2.0531 0.0000 H 0 0 0
- -4.4846 0.3331 0.0000 H 0 0 0
- -5.8817 0.2648 0.0000 H 0 0 0
- -5.8134 -1.1323 0.0000 H 0 0 0
- -5.1768 -0.3266 0.0000 H 0 0 0
- -5.9947 -1.4613 0.0000 H 0 0 0
- -4.8600 -2.2792 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 14 19 1 0
- 10 13 1 0
- 5 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59804-37-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -2.1884 1.0437 0.0857 C 0 0 0
- -2.8918 -0.1590 0.2123 C 0 0 0
- -0.7542 1.1603 -0.0771 C 0 0 0
- -3.4520 2.2763 0.1670 S 0 0 0
- -1.9854 -1.6894 0.1824 S 0 0 0
- -4.2603 -0.0458 0.3542 C 0 0 0
- -0.0380 0.0372 -0.4486 C 0 0 0
- -0.1276 2.3442 0.1297 O 0 0 0
- -4.8499 1.1792 0.3600 C 0 0 0
- -0.6760 -1.1877 -0.7012 N 0 0 0
- -1.5279 -1.9288 1.5062 O 0 0 0
- -2.7184 -2.5920 -0.6345 O 0 0 0
- 1.3657 0.1240 -0.5763 C 0 0 0
- -0.1702 -2.0459 -1.7754 C 0 0 0
- 2.1597 -0.2487 0.4469 N 0 0 0
- 1.8591 0.5361 -1.6117 O 0 0 0
- 3.5330 -0.0287 0.3784 C 0 0 0
- 4.0254 1.0191 -0.3923 C 0 0 0
- 4.3577 -0.8154 1.0519 N 0 0 0
- 5.3919 1.2267 -0.4511 C 0 0 0
- 5.6650 -0.6411 1.0146 C 0 0 0
- 6.2227 0.3759 0.2657 C 0 0 0
- -4.8338 -0.8798 0.0000 H 0 0 0
- 0.3459 3.2388 0.0000 H 0 0 0
- -5.8357 1.4084 0.0000 H 0 0 0
- -1.0422 -2.5598 0.0000 H 0 0 0
- 0.3437 -2.9179 0.0000 H 0 0 0
- 0.7018 -1.5320 0.0000 H 0 0 0
- 2.0185 -1.2509 0.0000 H 0 0 0
- 3.4200 1.8302 0.0000 H 0 0 0
- 5.7134 2.1864 0.0000 H 0 0 0
- 6.2372 -1.4759 0.0000 H 0 0 0
- 7.2255 0.5131 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 5 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 13 16 2 0
- 15 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 6 9 2 0
- 7 10 1 0
- 21 22 2 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56438-59-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 3.7632 0.2874 -0.1550 C 0 0 0
- 2.2912 0.1814 0.2485 C 0 0 0
- 4.6470 0.0095 1.0626 C 0 0 0
- 4.4058 -0.9720 0.0524 O 0 0 0
- 1.4073 0.4593 -0.9690 C 0 0 0
- -0.0425 0.3548 -0.5716 C 0 0 0
- -0.7157 1.4734 -0.1167 C 0 0 0
- -0.6990 -0.8585 -0.6679 C 0 0 0
- -2.0451 1.3803 0.2479 C 0 0 0
- -2.0280 -0.9567 -0.3047 C 0 0 0
- -2.7044 0.1633 0.1571 C 0 0 0
- -4.0119 0.0691 0.5155 O 0 0 0
- -4.3989 -1.2914 0.3123 C 0 0 0
- 3.8793 1.2801 0.0000 H 0 0 0
- 1.6452 -0.5813 0.0000 H 0 0 0
- 2.7438 -0.7097 0.0000 H 0 0 0
- 5.6123 -0.2496 0.0000 H 0 0 0
- 4.9265 0.9691 0.0000 H 0 0 0
- 2.0532 1.2220 0.0000 H 0 0 0
- 0.9546 1.3504 0.0000 H 0 0 0
- -0.2546 2.3601 0.0000 H 0 0 0
- -0.1560 -1.6976 0.0000 H 0 0 0
- -2.5862 2.2206 0.0000 H 0 0 0
- -2.4868 -1.8447 0.0000 H 0 0 0
- -5.3602 -1.0179 0.0000 H 0 0 0
- -4.6724 -2.2527 0.0000 H 0 0 0
- -3.4376 -1.5649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 2 0
- 6 8 1 0
- 7 9 1 0
- 8 10 2 0
- 9 11 2 0
- 11 12 1 0
- 12 13 1 0
- 3 4 1 0
- 10 11 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 5 19 1 0
- 5 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-298-02-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 1.2318 0.1645 -0.0608 P 0 0 0
- -0.5089 0.0124 1.1397 S 0 0 0
- 2.5193 0.3682 0.8841 O 0 0 0
- 1.4076 -1.1829 -0.9243 O 0 0 0
- 1.0681 1.6221 -1.2103 S 0 0 0
- -1.7871 0.1417 -0.1409 C 0 0 0
- 3.6148 0.6916 0.0254 C 0 0 0
- 1.4001 -2.2710 0.0019 C 0 0 0
- -3.4266 0.0387 0.6286 S 0 0 0
- 4.8769 0.8991 0.8651 C 0 0 0
- 1.5643 -3.5888 -0.7580 C 0 0 0
- -4.4756 0.1918 -0.8434 C 0 0 0
- -5.9472 0.1301 -0.4294 C 0 0 0
- -1.2547 0.9726 0.0000 H 0 0 0
- -2.2875 0.9922 0.0000 H 0 0 0
- 3.9245 1.6285 0.0000 H 0 0 0
- 2.9284 1.4005 0.0000 H 0 0 0
- 0.5280 -1.8093 0.0000 H 0 0 0
- 0.5879 -2.8314 0.0000 H 0 0 0
- 5.0370 -0.0746 0.0000 H 0 0 0
- 5.8506 1.0592 0.0000 H 0 0 0
- 4.7168 1.8728 0.0000 H 0 0 0
- 0.5851 -3.7108 0.0000 H 0 0 0
- 1.6863 -4.5680 0.0000 H 0 0 0
- 2.5435 -3.4668 0.0000 H 0 0 0
- -3.9133 1.0028 0.0000 H 0 0 0
- -4.9515 1.0563 0.0000 H 0 0 0
- -5.9885 1.1160 0.0000 H 0 0 0
- -6.9331 0.0888 0.0000 H 0 0 0
- -5.9059 -0.8558 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96014-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.0772 0.4201 -0.0029 C 0 0 0
- -1.2783 -0.1605 -0.0019 C 0 0 0
- -0.0861 1.8129 0.0003 C 0 0 0
- 1.3556 -0.1334 -0.0010 C 0 0 0
- -2.1744 0.9187 0.0018 C 0 0 0
- -1.7608 -1.4673 -0.0042 C 0 0 0
- -1.4436 2.0930 0.0030 N 0 0 0
- 1.0378 2.6335 0.0001 C 0 0 0
- 2.4630 0.6968 -0.0022 C 0 0 0
- 1.5289 -1.6035 0.0017 N 0 3 0
- -3.5435 0.6679 0.0028 C 0 0 0
- -3.1198 -1.6954 -0.0029 C 0 0 0
- 2.2990 2.0794 -0.0030 C 0 0 0
- 3.7498 0.1456 0.0002 N 0 0 0
- 1.6009 -2.2102 -1.0520 O 0 0 0
- 1.5995 -2.2064 1.0576 O 0 5 0
- -4.0070 -0.6298 0.0001 C 0 0 0
- -1.0951 -2.2711 0.0000 H 0 0 0
- -1.8551 3.0521 0.0000 H 0 0 0
- 0.9249 3.6711 0.0000 H 0 0 0
- -4.2194 1.4632 0.0000 H 0 0 0
- -3.4827 -2.6740 0.0000 H 0 0 0
- 3.1377 2.7006 0.0000 H 0 0 0
- 3.8736 -0.8907 0.0000 H 0 0 0
- 4.5854 0.7710 0.0000 H 0 0 0
- -5.0346 -0.8122 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 2 0
- 5 7 1 0
- 9 13 1 0
- 12 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-34-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 0.0638 -1.5107 -0.5039 C 0 0 0
- -1.3336 -1.5422 0.1185 C 0 0 0
- 0.8811 -0.5790 0.2074 O 0 0 0
- -1.9183 -0.2405 0.0424 O 0 0 0
- 2.1659 -0.5951 -0.4180 C 0 0 0
- -3.2146 -0.3347 0.6364 C 0 0 0
- 3.0947 0.3865 0.2995 C 0 0 0
- -3.8987 1.0330 0.5871 C 0 0 0
- 4.4703 0.3691 -0.3701 C 0 0 0
- -4.0272 1.4525 -0.7729 O 0 0 0
- 5.3991 1.3507 0.3474 C 0 0 0
- -0.1623 -2.4987 0.0000 H 0 0 0
- 0.9663 -1.9720 0.0000 H 0 0 0
- -2.3051 -1.8310 0.0000 H 0 0 0
- -1.1764 -2.5435 0.0000 H 0 0 0
- 1.9044 -1.5743 0.0000 H 0 0 0
- 3.0508 -1.0893 0.0000 H 0 0 0
- -4.1723 -0.6664 0.0000 H 0 0 0
- -3.0103 -1.3274 0.0000 H 0 0 0
- 3.3563 1.3657 0.0000 H 0 0 0
- 2.2098 0.8807 0.0000 H 0 0 0
- -4.8975 1.2053 0.0000 H 0 0 0
- -4.5031 0.2194 0.0000 H 0 0 0
- 4.2087 -0.6101 0.0000 H 0 0 0
- 5.3552 -0.1251 0.0000 H 0 0 0
- -4.3240 2.4216 0.0000 H 0 0 0
- 6.1353 0.6541 0.0000 H 0 0 0
- 6.0957 2.0869 0.0000 H 0 0 0
- 4.6629 2.0473 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1319-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 48 1 V2000
- -13.5263 0.6485 0.0528 C 0 0 0
- -14.3872 -0.3578 0.4452 C 0 0 0
- -12.2732 0.3306 -0.4511 C 0 0 0
- -14.0014 -1.6812 0.3357 C 0 0 0
- -15.7484 -0.0132 0.9926 C 0 0 0
- -11.8884 -0.9977 -0.5594 C 0 0 0
- -11.4241 1.3189 -0.8374 O 0 0 0
- -12.7535 -2.0006 -0.1660 C 0 0 0
- 0.0634 1.4019 -0.0897 C 0 0 0
- -0.8015 0.3910 0.3044 C 0 0 0
- 1.3108 1.0854 -0.5913 C 0 0 0
- -0.3603 2.8437 0.0235 C 0 0 0
- -0.4107 -0.9353 0.1936 C 0 0 0
- -2.0291 0.6999 0.7987 O 0 0 0
- 1.6980 -0.2376 -0.7009 C 0 0 0
- 0.8381 -1.2466 -0.3088 C 0 0 0
- 12.8076 1.1790 0.1864 C 0 0 0
- 11.9459 0.1718 0.5792 C 0 0 0
- 14.0573 0.8661 -0.3163 C 0 0 0
- 12.3820 2.6201 0.3005 C 0 0 0
- 12.3316 -1.1504 0.4702 C 0 0 0
- 14.4476 -0.4542 -0.4271 C 0 0 0
- 13.5846 -1.4669 -0.0336 C 0 0 0
- 13.9665 -2.7667 -0.1413 O 0 0 0
- -13.8276 1.5979 0.0000 H 0 0 0
- -14.6940 -2.3971 0.0000 H 0 0 0
- -15.5040 0.9524 0.0000 H 0 0 0
- -16.7140 0.2312 0.0000 H 0 0 0
- -15.9928 -0.9788 0.0000 H 0 0 0
- -10.9153 -1.2101 0.0000 H 0 0 0
- -10.7750 2.0744 0.0000 H 0 0 0
- -12.4551 -2.9509 0.0000 H 0 0 0
- 2.0022 1.8024 0.0000 H 0 0 0
- 0.5953 3.1245 0.0000 H 0 0 0
- -0.6411 3.7993 0.0000 H 0 0 0
- -1.3159 2.5629 0.0000 H 0 0 0
- -1.1000 -1.6543 0.0000 H 0 0 0
- -2.9950 0.9430 0.0000 H 0 0 0
- 2.6720 -0.4458 0.0000 H 0 0 0
- 1.1423 -2.1951 0.0000 H 0 0 0
- 10.9721 0.3813 0.0000 H 0 0 0
- 14.7466 1.5851 0.0000 H 0 0 0
- 13.3373 2.9022 0.0000 H 0 0 0
- 12.0999 3.5754 0.0000 H 0 0 0
- 11.4267 2.3380 0.0000 H 0 0 0
- 11.6402 -1.8674 0.0000 H 0 0 0
- 15.4219 -0.6610 0.0000 H 0 0 0
- 14.2473 -3.7223 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 9 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 13 16 1 0
- 17 18 2 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 23 24 1 0
- 6 8 1 0
- 15 16 2 0
- 22 23 1 0
- 1 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 20 45 1 0
- 21 46 1 0
- 22 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129117-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.8091 -0.1964 -0.0022 C 0 0 0
- -0.6545 -0.0158 -0.0007 C 0 0 0
- 1.3698 1.0889 -0.0007 C 0 0 0
- 1.6347 -1.3186 0.0004 C 0 0 0
- -0.8861 1.3672 0.0017 C 0 0 0
- -1.7284 -0.9036 -0.0020 C 0 0 0
- 0.3386 2.0149 0.0017 N 0 0 0
- 2.7542 1.2316 -0.0012 C 0 0 0
- 3.0095 -1.1594 -0.0012 C 0 0 0
- 1.0332 -2.7003 0.0054 C 0 0 0
- -2.1945 1.8413 0.0026 C 0 0 0
- -3.0217 -0.4156 -0.0008 C 0 0 0
- 3.5643 0.1176 -0.0037 C 0 0 0
- 3.3682 2.6079 0.0005 C 0 0 0
- 3.8434 -2.2838 0.0014 N 0 0 0
- -3.2504 0.9562 0.0012 C 0 0 0
- -4.0727 -1.2788 -0.0020 O 0 0 0
- -5.2601 -0.4837 -0.0003 C 0 0 0
- -1.5569 -1.9334 0.0000 H 0 0 0
- 0.4663 3.0511 0.0000 H 0 0 0
- 0.0760 -2.2836 0.0000 H 0 0 0
- 0.6165 -3.6575 0.0000 H 0 0 0
- 1.9904 -3.1170 0.0000 H 0 0 0
- -2.3763 2.8694 0.0000 H 0 0 0
- 4.6021 0.2316 0.0000 H 0 0 0
- 4.3216 2.1825 0.0000 H 0 0 0
- 3.7936 3.5613 0.0000 H 0 0 0
- 2.4148 3.0333 0.0000 H 0 0 0
- 3.4281 -3.2417 0.0000 H 0 0 0
- 4.8806 -2.1645 0.0000 H 0 0 0
- -4.2297 1.3181 0.0000 H 0 0 0
- -4.6792 0.3838 0.0000 H 0 0 0
- -6.1276 0.0972 0.0000 H 0 0 0
- -5.8410 -1.3512 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 17 18 1 0
- 5 7 1 0
- 9 13 1 0
- 12 16 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21711-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.4249 -0.6017 -0.0707 C 0 0 0
- -1.0308 -0.3444 -0.0493 C 0 0 0
- 1.3799 0.5009 0.0679 C 0 0 0
- 0.9141 -1.8969 -0.2172 C 0 0 0
- -1.8337 -0.9373 0.9278 C 0 0 0
- -1.6083 0.4971 -1.0024 C 0 0 0
- 2.7609 0.2099 0.0425 C 0 0 0
- 0.9527 1.7549 0.2148 N 0 0 0
- 2.2758 -2.1218 -0.2349 C 0 0 0
- -3.1909 -0.6930 0.9419 C 0 0 0
- -2.9673 0.7328 -0.9766 C 0 0 0
- 3.1812 -1.0777 -0.1089 C 0 0 0
- 1.7567 2.6627 0.3291 O 0 0 0
- -3.7577 0.1376 -0.0093 C 0 0 0
- 0.2584 -2.6968 0.0000 H 0 0 0
- -1.5989 -1.9446 0.0000 H 0 0 0
- -1.0497 1.3675 0.0000 H 0 0 0
- 3.4518 0.9796 0.0000 H 0 0 0
- 2.6269 -3.0946 0.0000 H 0 0 0
- -3.7534 -1.5609 0.0000 H 0 0 0
- -3.2100 1.7382 0.0000 H 0 0 0
- 4.1950 -1.2826 0.0000 H 0 0 0
- -4.7782 0.3057 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 8 13 2 0
- 10 14 1 0
- 9 12 1 0
- 11 14 2 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2178 0.5966 -0.0027 C 0 0 0
- -0.4798 -0.7961 -0.0004 C 0 0 0
- 1.0445 1.0359 -0.0022 N 0 0 0
- -1.2990 1.4954 0.0005 C 0 0 0
- 0.6037 -1.6942 0.0018 C 0 0 0
- -1.8080 -1.2523 -0.0009 C 0 0 0
- 2.0563 0.2020 0.0003 C 0 0 0
- -2.5734 1.0185 0.0056 C 0 0 0
- 1.8686 -1.1781 0.0017 C 0 0 0
- -2.8287 -0.3516 -0.0035 C 0 0 0
- 3.4596 0.7515 0.0002 C 0 0 0
- -1.1246 2.5257 0.0000 H 0 0 0
- 0.4451 -2.7270 0.0000 H 0 0 0
- -2.0116 -2.2772 0.0000 H 0 0 0
- -3.3736 1.6904 0.0000 H 0 0 0
- 2.6945 -1.8182 0.0000 H 0 0 0
- -3.8166 -0.6920 0.0000 H 0 0 0
- 3.8406 -0.2215 0.0000 H 0 0 0
- 4.4326 1.1325 0.0000 H 0 0 0
- 3.0786 1.7245 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113163-22-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.0773 -0.1369 -0.2884 C 0 0 0
- -0.8596 -1.3585 -0.6731 C 0 0 2
- 1.3233 -0.2275 -0.1609 C 0 0 0
- -0.6930 1.0548 -0.0665 C 0 0 0
- -2.3316 -1.3487 -0.3090 C 0 0 1
- -1.3664 -2.0759 0.4539 O 0 0 0
- 2.0637 0.9255 0.1948 C 0 0 0
- 1.9565 -1.3859 -0.3728 N 0 0 0
- -2.1918 1.1546 -0.1934 C 0 0 2
- 0.0402 2.1902 0.2813 C 0 0 0
- -2.8344 -0.1006 0.3967 C 0 0 2
- 1.3931 2.1396 0.4139 C 0 0 0
- 3.4625 0.8278 0.3203 C 0 0 0
- 3.2589 -1.4808 -0.2581 C 0 0 0
- -2.5462 1.2729 -1.5727 O 0 0 0
- -2.5303 -0.1862 1.7904 O 0 0 0
- 4.0463 -0.3851 0.0897 C 0 0 0
- -0.0193 -1.9239 0.0000 H 0 0 0
- -3.1354 -1.9649 0.0000 H 0 0 0
- -1.9962 2.1484 0.0000 H 0 0 0
- -0.4275 3.0886 0.0000 H 0 0 0
- -3.8462 -0.0549 0.0000 H 0 0 0
- 1.9240 3.0021 0.0000 H 0 0 0
- 4.0310 1.6660 0.0000 H 0 0 0
- 3.6880 -2.3982 0.0000 H 0 0 0
- -3.5069 1.5936 0.0000 H 0 0 0
- -1.5554 -0.4606 0.0000 H 0 0 0
- 5.0553 -0.4734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 2 0
- 5 6 1 0
- 9 11 1 0
- 10 12 2 0
- 14 17 1 0
- 2 18 1 0
- 5 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-18-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0000 0.3952 -0.1173 C 0 0 0
- -1.2492 1.0062 0.5207 C 0 0 0
- 1.2492 1.0062 0.5207 C 0 0 0
- 0.0000 -1.3880 0.1491 Cl 0 0 0
- -2.7214 0.2862 -0.2311 Cl 0 0 0
- 2.7214 0.2862 -0.2311 Cl 0 0 0
- 0.0000 1.6243 0.0000 H 0 0 0
- -0.4809 1.9656 0.0000 H 0 0 0
- -2.0175 1.9656 0.0000 H 0 0 0
- 2.0175 1.9656 0.0000 H 0 0 0
- 0.4809 1.9656 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-13-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.3122 -0.2042 -0.2594 C 0 0 0
- -0.6644 -1.4052 -0.0347 C 0 0 0
- -0.5880 0.9709 -0.3348 C 0 0 0
- -2.8094 -0.1773 -0.4286 C 0 0 0
- 0.7084 -1.4332 0.1150 C 0 0 0
- 0.7854 0.9482 -0.1857 C 0 0 0
- -3.3887 0.6460 0.5857 O 0 0 0
- 1.4375 -0.2551 0.0398 C 0 0 0
- 2.7883 -0.2802 0.1864 O 0 0 0
- 3.2426 1.0687 0.0599 C 0 0 0
- -1.2012 -2.2842 0.0000 H 0 0 0
- -1.0827 1.8743 0.0000 H 0 0 0
- -3.7570 -0.5810 0.0000 H 0 0 0
- -2.6124 -1.1883 0.0000 H 0 0 0
- 1.2005 -2.3380 0.0000 H 0 0 0
- 1.3197 1.8288 0.0000 H 0 0 0
- -3.9814 1.4884 0.0000 H 0 0 0
- 4.2187 0.7399 0.0000 H 0 0 0
- 3.5714 2.0448 0.0000 H 0 0 0
- 2.2665 1.3975 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97055-38-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.1427 -0.3000 -0.0822 C 0 0 0
- -1.4483 -1.0229 0.1532 C 0 0 0
- -0.3863 0.9999 0.0694 C 0 0 0
- 1.1841 -0.9309 -0.4182 C 0 0 0
- -2.4313 0.0086 0.4487 O 0 0 0
- -1.8294 -1.7174 -1.0361 O 0 0 0
- -1.8017 1.1973 0.3982 C 0 0 0
- 0.7900 2.2659 -0.0961 Cl 0 0 0
- 2.4327 0.3569 -0.6011 Cl 0 0 0
- 1.6684 -2.0536 0.9068 Cl 0 0 0
- -3.0645 -2.3773 -0.7512 C 0 0 0
- -2.3281 2.2746 0.5965 O 0 0 0
- -0.6977 -1.7706 0.0000 H 0 0 0
- 0.4214 -1.6662 0.0000 H 0 0 0
- -3.5638 -1.4429 0.0000 H 0 0 0
- -3.9989 -2.8766 0.0000 H 0 0 0
- -2.5652 -3.3117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 2 0
- 5 7 1 0
- 2 13 1 0
- 4 14 1 0
- 11 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1711-06-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.0035 0.4510 0.0038 C 0 0 0
- 0.6912 -0.7658 0.0038 C 0 0 0
- 0.7205 1.6512 0.0004 C 0 0 0
- -1.4696 0.4687 0.0011 C 0 0 0
- 2.0704 -0.7744 0.0006 C 0 0 0
- 2.0991 1.6266 -0.0028 C 0 0 0
- -2.0635 1.5264 0.0010 O 0 0 0
- -2.3556 -1.0242 -0.0019 Cl 0 0 0
- 2.7731 0.4176 -0.0032 C 0 0 0
- 2.8140 -2.0852 0.0007 C 0 0 0
- 0.1627 -1.6652 0.0000 H 0 0 0
- 0.2138 2.5631 0.0000 H 0 0 0
- 2.6355 2.5213 0.0000 H 0 0 0
- 3.8162 0.4050 0.0000 H 0 0 0
- 1.9066 -2.5999 0.0000 H 0 0 0
- 3.3287 -2.9926 0.0000 H 0 0 0
- 3.7214 -1.5705 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106636-46-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.3419 0.2645 0.0396 C 0 0 0
- -1.2462 -0.8785 -0.1183 C 0 0 0
- 1.1353 0.2291 0.0339 C 0 0 0
- -1.1075 1.3361 0.1826 N 0 0 0
- -2.5512 -0.3427 -0.0443 N 0 0 0
- -0.9136 -2.1343 -0.2915 N 0 0 0
- 1.8590 1.2383 -0.6061 C 0 0 0
- 1.8146 -0.8105 0.6732 C 0 0 0
- -2.3812 0.9974 0.1327 C 0 0 0
- -3.8418 -0.8105 -0.1092 C 0 0 0
- -1.7794 -2.9830 -0.4087 O 0 0 0
- 3.2374 1.1989 -0.6075 C 0 0 0
- 3.1937 -0.8372 0.6639 C 0 0 0
- -4.0010 1.6017 0.2096 S 0 0 0
- -4.8566 0.0490 0.0092 C 0 0 0
- 3.9040 0.1626 0.0232 C 0 0 0
- -6.3388 -0.2205 -0.0291 C 0 0 0
- 5.3838 0.1269 0.0170 N 0 3 0
- 5.9733 -0.7836 0.5711 O 0 0 0
- 6.0119 1.0079 -0.5422 O 0 5 0
- 1.4127 2.1390 0.0000 H 0 0 0
- 1.3276 -1.6899 0.0000 H 0 0 0
- -4.0193 -1.8000 0.0000 H 0 0 0
- 3.7315 2.0743 0.0000 H 0 0 0
- 3.6462 -1.7349 0.0000 H 0 0 0
- -6.5186 0.7686 0.0000 H 0 0 0
- -7.3279 -0.4003 0.0000 H 0 0 0
- -6.1590 -1.2096 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 15 17 1 0
- 16 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 9 1 0
- 13 16 2 0
- 14 15 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-71-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.8661 0.0864 0.0018 C 0 0 0
- -0.0956 -1.0748 0.0006 C 0 0 0
- -0.2463 1.3245 0.0018 C 0 0 0
- -2.2237 0.0036 -0.0027 O 0 0 0
- 1.2883 -0.9842 -0.0006 C 0 0 0
- -0.7166 -2.3291 0.0010 N 0 0 0
- 1.1345 1.4072 0.0007 C 0 0 0
- -2.7192 1.3439 -0.0001 C 0 0 0
- 1.8995 0.2561 -0.0005 C 0 0 0
- 3.4033 0.3530 -0.0013 C 0 0 0
- -0.8187 2.1920 0.0000 H 0 0 0
- 1.8658 -1.8483 0.0000 H 0 0 0
- -1.7538 -2.3954 0.0000 H 0 0 0
- -0.1406 -3.1941 0.0000 H 0 0 0
- 1.5979 2.3374 0.0000 H 0 0 0
- -1.7444 1.7043 0.0000 H 0 0 0
- -3.0796 2.3187 0.0000 H 0 0 0
- -3.6940 0.9835 0.0000 H 0 0 0
- 3.4701 -0.6841 0.0000 H 0 0 0
- 4.4404 0.4198 0.0000 H 0 0 0
- 3.3365 1.3901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 7 9 2 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7570-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 1.4511 0.4670 -0.0019 C 0 0 0
- -0.0137 0.6261 -0.0018 C 0 0 0
- 2.2789 1.5936 -0.0019 C 0 0 0
- 2.0175 -0.8107 0.0040 C 0 0 0
- -0.8069 -0.4578 -0.0018 C 0 0 0
- 3.6481 1.4398 -0.0014 C 0 0 0
- 3.3883 -0.9544 0.0044 C 0 0 0
- -2.2715 -0.2987 -0.0018 C 0 0 0
- 4.2063 0.1678 -0.0009 C 0 0 0
- -3.0988 -1.4256 -0.0018 C 0 0 0
- -2.8377 0.9798 0.0040 C 0 0 0
- 5.5571 0.0211 -0.0005 O 0 0 0
- -4.4679 -1.2727 -0.0013 C 0 0 0
- -4.2073 1.1243 0.0045 C 0 0 0
- 5.8200 -1.3835 0.0000 C 0 0 0
- -5.0272 0.0006 -0.0008 C 0 0 0
- -6.4143 0.1512 -0.0008 N 0 0 0
- -0.4347 1.5805 0.0000 H 0 0 0
- 1.8606 2.5492 0.0000 H 0 0 0
- 1.4038 -1.6542 0.0000 H 0 0 0
- -0.3859 -1.4122 0.0000 H 0 0 0
- 4.2665 2.2799 0.0000 H 0 0 0
- 3.8120 -1.9076 0.0000 H 0 0 0
- -2.6800 -2.3810 0.0000 H 0 0 0
- -2.2235 1.8230 0.0000 H 0 0 0
- -5.0859 -2.1131 0.0000 H 0 0 0
- -4.6304 2.0778 0.0000 H 0 0 0
- 4.7947 -1.5754 0.0000 H 0 0 0
- 6.0119 -2.4088 0.0000 H 0 0 0
- 6.8453 -1.1916 0.0000 H 0 0 0
- -6.8353 1.1056 0.0000 H 0 0 0
- -7.0303 -0.6906 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 16 17 1 0
- 7 9 2 0
- 14 16 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22788-18-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 1.4736 -0.3353 -0.3348 N 0 0 0
- 0.1235 0.5686 0.1040 P 0 0 0
- 2.6405 0.3363 0.2529 C 0 0 0
- 1.3497 -1.6341 0.3405 C 0 0 0
- -1.2091 -0.1697 -0.4168 O 0 0 0
- 0.0659 0.7138 1.7797 N 0 0 0
- 0.2118 1.9146 -0.5051 O 0 0 0
- 3.1879 1.3666 -0.7369 C 0 0 0
- 0.9438 -2.7015 -0.6777 C 0 0 0
- -2.3146 0.6420 -0.0157 C 0 0 0
- 4.6200 2.1910 -0.0157 Cl 0 0 0
- 0.7917 -4.2955 0.1510 Cl 0 0 0
- -3.6194 -0.0067 -0.4822 C 0 0 0
- -4.7853 0.8493 -0.0593 C 0 0 0
- -6.0380 0.4744 -0.3622 O 0 0 0
- -4.5924 1.8732 0.5526 O 0 0 0
- 2.8270 -0.6580 0.0000 H 0 0 0
- 3.6406 0.1836 0.0000 H 0 0 0
- 2.0563 -2.3581 0.0000 H 0 0 0
- 2.3038 -1.2976 0.0000 H 0 0 0
- 0.6938 1.5071 0.0000 H 0 0 0
- -0.9350 0.8609 0.0000 H 0 0 0
- 3.0014 2.3609 0.0000 H 0 0 0
- 2.1878 1.5193 0.0000 H 0 0 0
- 0.2372 -1.9775 0.0000 H 0 0 0
- -0.0103 -3.0380 0.0000 H 0 0 0
- -1.5945 1.3526 0.0000 H 0 0 0
- -2.9025 1.4653 0.0000 H 0 0 0
- -4.3395 -0.7173 0.0000 H 0 0 0
- -3.0315 -0.8300 0.0000 H 0 0 0
- -7.0072 0.1843 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-551-06-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.0276 0.3041 -0.0020 C 0 0 0
- -1.9713 -0.7494 -0.0012 C 0 0 0
- 0.4091 -0.0274 -0.0009 C 0 0 0
- -1.4662 1.6247 0.0019 C 0 0 0
- -1.5228 -2.0838 0.0011 C 0 0 0
- -3.3426 -0.4448 -0.0022 C 0 0 0
- 0.7867 -1.3936 0.0010 C 0 0 0
- 1.3220 0.9257 -0.0020 N 0 0 0
- -2.8203 1.8932 0.0065 C 0 0 0
- -0.1739 -2.3799 0.0026 C 0 0 0
- -3.7474 0.8591 -0.0040 C 0 0 0
- 2.5361 0.6282 -0.0010 C 0 0 0
- 4.0450 0.2584 0.0002 S 0 0 0
- -0.7764 2.4065 0.0000 H 0 0 0
- -2.2191 -2.8598 0.0000 H 0 0 0
- -4.0488 -1.2118 0.0000 H 0 0 0
- 1.7966 -1.6528 0.0000 H 0 0 0
- -3.1503 2.8822 0.0000 H 0 0 0
- 0.1255 -3.3786 0.0000 H 0 0 0
- -4.7660 1.0815 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 2 0
- 12 13 2 0
- 7 10 1 0
- 9 11 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-480-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.2079 0.1176 -0.0025 C 0 0 0
- -1.2057 -1.3479 -0.0019 C 0 0 0
- -0.0001 0.8227 -0.0020 C 0 0 0
- -2.4486 0.7954 0.0023 C 0 0 0
- 0.0000 -2.0483 -0.0003 C 0 0 0
- -2.4425 -2.0283 -0.0024 C 0 0 0
- 1.2082 0.1177 -0.0010 C 0 0 0
- -0.0003 2.1789 -0.0022 O 0 0 0
- -3.6071 0.0747 0.0074 C 0 0 0
- -2.4870 2.1525 0.0014 O 0 0 0
- 1.2061 -1.3478 0.0007 C 0 0 0
- -3.6007 -1.3183 -0.0035 C 0 0 0
- 2.4485 0.7955 0.0000 C 0 0 0
- 2.4424 -2.0280 0.0018 C 0 0 0
- 3.6073 0.0747 0.0014 C 0 0 0
- 2.4867 2.1525 -0.0010 O 0 0 0
- 3.6010 -1.3178 0.0023 C 0 0 0
- 0.0000 -3.0941 0.0000 H 0 0 0
- -2.4671 -3.0738 0.0000 H 0 0 0
- -0.0005 3.2247 0.0000 H 0 0 0
- -4.5224 0.5805 0.0000 H 0 0 0
- -2.5166 3.1979 0.0000 H 0 0 0
- -4.5120 -1.8313 0.0000 H 0 0 0
- 2.4669 -3.0735 0.0000 H 0 0 0
- 4.5226 0.5806 0.0000 H 0 0 0
- 2.5161 3.1979 0.0000 H 0 0 0
- 4.5123 -1.8308 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 11 14 2 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 7 11 1 0
- 9 12 1 0
- 15 17 2 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21739-91-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- -0.9919 -0.2834 0.0059 C 0 0 0
- -2.1011 0.6717 0.0906 C 0 0 0
- -0.0347 -0.3428 1.0288 C 0 0 0
- -0.8876 -1.1446 -1.0951 C 0 0 0
- -1.9269 1.9586 -0.3288 C 0 0 0
- -3.7730 0.1204 0.7810 Br 0 0 0
- 0.9961 -1.2349 0.9448 C 0 0 0
- 0.1478 -2.0329 -1.1684 C 0 0 0
- -0.7354 2.3349 -0.9483 C 0 0 0
- 1.0974 -2.0837 -0.1532 C 0 0 0
- 0.1898 1.4069 -1.2448 O 0 0 0
- -0.5128 3.6255 -1.2486 O 0 0 0
- 2.1234 -2.9677 -0.2313 O 0 0 0
- 1.9564 -3.6872 -1.4547 C 0 0 0
- 13.1552 1.1978 0.7900 Na 0 3 0
- 0.3351 0.5627 0.0000 H 0 0 0
- -1.7501 -1.6059 0.0000 H 0 0 0
- -2.6752 2.5885 0.0000 H 0 0 0
- 1.8600 -0.7762 0.0000 H 0 0 0
- -0.2161 -2.9408 0.0000 H 0 0 0
- 1.0036 -3.4661 0.0000 H 0 0 0
- 1.7353 -4.6400 0.0000 H 0 0 0
- 2.9092 -3.9083 0.0000 H 0 0 0
- -0.3466 4.5894 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 8 10 2 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 7 19 1 0
- 8 20 1 0
- 14 21 1 0
- 14 22 1 0
- 14 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5862-77-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.5295 -0.1048 0.0025 C 0 0 0
- 0.3916 -1.1504 0.0009 C 0 0 0
- -0.0871 1.2069 0.0025 C 0 0 0
- -1.8638 -0.3732 -0.0015 O 0 0 0
- 1.7502 -0.8745 -0.0007 C 0 0 0
- -0.0541 -2.4770 0.0005 N 0 0 0
- 1.2682 1.4816 0.0008 C 0 0 0
- -2.5385 0.8865 0.0014 C 0 0 0
- 2.1892 0.4427 -0.0008 C 0 0 0
- -4.0509 0.6550 -0.0029 C 0 0 0
- 3.5600 0.7232 -0.0020 N 0 0 0
- -0.7759 1.9879 0.0000 H 0 0 0
- 2.4405 -1.6541 0.0000 H 0 0 0
- -1.0748 -2.6833 0.0000 H 0 0 0
- 0.6349 -3.2578 0.0000 H 0 0 0
- 1.5985 2.4692 0.0000 H 0 0 0
- -1.5709 1.2712 0.0000 H 0 0 0
- -2.8114 1.8914 0.0000 H 0 0 0
- -4.2085 1.6843 0.0000 H 0 0 0
- -5.0802 0.4974 0.0000 H 0 0 0
- -3.8933 -0.3743 0.0000 H 0 0 0
- 4.2509 -0.0559 0.0000 H 0 0 0
- 3.8893 1.7111 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 7 9 2 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1591-56-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -4.0285 0.3049 -0.3967 C 0 0 0
- -3.5324 -0.9860 -0.5452 C 0 0 0
- -3.1566 1.3707 -0.1977 C 0 0 0
- -5.4049 0.5326 -0.4532 N 0 0 0
- -2.1752 -1.2140 -0.4958 C 0 0 0
- -1.7984 1.1512 -0.1471 C 0 0 0
- -6.2341 -0.1439 0.3661 C 0 0 0
- -1.2954 -0.1455 -0.2960 C 0 0 0
- -7.7264 0.0058 0.2189 C 0 0 0
- -5.7793 -0.8731 1.2218 O 0 0 0
- 0.0509 -0.3675 -0.2460 N 0 0 0
- 0.8609 0.6194 -0.0616 N 0 0 0
- 2.2066 0.3975 -0.0115 C 0 0 0
- 3.0866 1.4663 0.1883 C 0 0 0
- 2.7093 -0.9004 -0.1542 C 0 0 0
- 4.4434 1.2384 0.2386 C 0 0 0
- 4.0670 -1.1202 -0.1027 C 0 0 0
- 4.9397 -0.0532 0.0910 C 0 0 0
- 6.3131 -0.2796 0.1421 N 0 0 0
- 6.8377 -1.6387 -0.0131 C 0 0 0
- 7.2331 0.8412 0.3510 C 0 0 0
- -4.1877 -1.7878 0.0000 H 0 0 0
- -3.5238 2.3389 0.0000 H 0 0 0
- -5.6713 1.5333 0.0000 H 0 0 0
- -1.8126 -2.1840 0.0000 H 0 0 0
- -1.1469 1.9561 0.0000 H 0 0 0
- -7.6230 1.0361 0.0000 H 0 0 0
- -8.7567 0.1092 0.0000 H 0 0 0
- -7.8298 -1.0245 0.0000 H 0 0 0
- 2.7240 2.4362 0.0000 H 0 0 0
- 2.0575 -1.7050 0.0000 H 0 0 0
- 5.0987 2.0402 0.0000 H 0 0 0
- 4.4341 -2.0885 0.0000 H 0 0 0
- 5.8716 -2.0116 0.0000 H 0 0 0
- 7.2106 -2.6048 0.0000 H 0 0 0
- 7.8038 -1.2658 0.0000 H 0 0 0
- 8.0335 0.1842 0.0000 H 0 0 0
- 7.8901 1.6416 0.0000 H 0 0 0
- 6.4327 1.4982 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 2 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 6 8 1 0
- 17 18 1 0
- 2 22 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98911-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 1.7636 1.2029 0.4433 C 0 0 0
- 0.7918 2.1523 0.4838 O 0 0 0
- 2.0652 0.5672 -0.7535 C 0 0 0
- 2.4596 0.8717 1.5968 C 0 0 0
- -0.3988 1.4961 0.4844 C 0 0 0
- 3.0544 -0.3978 -0.7920 C 0 0 0
- 1.2005 0.9832 -2.2002 Cl 0 0 0
- 3.4473 -0.0931 1.5537 C 0 0 0
- -1.5839 2.2096 0.3794 C 0 0 0
- -0.4280 0.1122 0.5845 C 0 0 0
- 3.7432 -0.7296 0.3611 C 0 0 0
- -2.7936 1.5435 0.3795 C 0 0 0
- -1.6368 -0.5547 0.5848 C 0 0 0
- 4.9850 -1.9417 0.3103 Cl 0 0 0
- -2.8236 0.1595 0.4849 C 0 0 0
- -4.0506 -0.5168 0.4857 N 0 0 0
- -4.3685 -1.3371 -0.5354 C 0 0 0
- -4.9566 -0.3385 1.5591 O 0 0 0
- -5.5492 -2.2659 -0.4161 C 0 0 0
- -3.7044 -1.3276 -1.5503 O 0 0 0
- 3.0518 1.7210 0.0000 H 0 0 0
- 2.4604 -1.2459 0.0000 H 0 0 0
- 4.2923 0.5053 0.0000 H 0 0 0
- -1.5639 3.2448 0.0000 H 0 0 0
- 0.4580 -0.4236 0.0000 H 0 0 0
- -3.6792 2.0799 0.0000 H 0 0 0
- -1.6563 -1.5899 0.0000 H 0 0 0
- -5.9725 -0.1386 0.0000 H 0 0 0
- -6.1894 -1.4521 0.0000 H 0 0 0
- -6.3630 -2.9061 0.0000 H 0 0 0
- -4.9090 -3.0797 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 15 16 1 0
- 16 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 2 0
- 8 11 1 0
- 13 15 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108354-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.2779 -0.6285 -0.0017 C 0 0 0
- -1.1805 -0.5448 -0.0008 C 0 0 0
- 1.0186 0.5563 -0.0012 C 0 0 0
- 1.1570 -1.6564 0.0025 N 0 0 0
- -1.7889 0.7353 0.0005 C 0 0 0
- -1.9401 -1.6391 -0.0017 N 0 0 0
- 0.3717 1.7946 0.0001 C 0 0 0
- 2.3496 0.1764 -0.0018 N 0 0 0
- 2.3815 -1.1868 -0.0003 C 0 0 0
- -0.9820 1.8888 0.0014 C 0 0 0
- -3.1228 0.8276 0.0013 N 0 0 0
- -3.2508 -1.5233 -0.0013 C 0 0 0
- 1.1968 3.0556 0.0006 C 0 0 0
- 3.5087 1.0724 -0.0015 C 0 0 0
- 3.5274 -1.9550 0.0025 N 0 0 0
- -3.8524 -0.2659 0.0009 C 0 0 0
- -1.4286 2.8241 0.0000 H 0 0 0
- -3.8414 -2.3750 0.0000 H 0 0 0
- 2.0640 2.4881 0.0000 H 0 0 0
- 1.7643 3.9228 0.0000 H 0 0 0
- 0.3296 3.6231 0.0000 H 0 0 0
- 4.1425 0.2524 0.0000 H 0 0 0
- 4.3287 1.7062 0.0000 H 0 0 0
- 2.8749 1.8924 0.0000 H 0 0 0
- 3.4580 -2.9891 0.0000 H 0 0 0
- 4.4576 -1.4980 0.0000 H 0 0 0
- -4.8862 -0.1923 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-145-39-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 37 1 V2000
- 0.0000 -0.4193 0.0085 C 0 0 0
- -1.1971 0.2723 -0.0077 C 0 0 0
- 1.1972 0.2711 -0.0086 C 0 0 0
- -0.0006 -1.9257 0.0512 C 0 0 0
- -1.1966 1.6540 -0.0410 C 0 0 0
- -2.4792 -0.4671 0.0102 N 0 3 0
- 1.1977 1.6533 -0.0419 C 0 0 0
- 2.4788 -0.4692 0.0091 N 0 3 0
- 0.0031 -2.4763 -1.3763 C 0 0 0
- 1.2465 -2.4154 0.7899 C 0 0 0
- -1.2520 -2.4147 0.7831 C 0 0 0
- 0.0010 2.3446 -0.0576 C 0 0 0
- -2.5014 2.4078 -0.0586 C 0 0 0
- -3.1499 -0.4988 1.0264 O 0 0 0
- -2.8637 -1.0437 -0.9914 O 0 5 0
- 2.5031 2.4061 -0.0607 C 0 0 0
- 2.8549 -1.0596 -0.9876 O 0 0 0
- 3.1572 -0.4882 1.0205 O 0 5 0
- 0.0016 3.8512 -0.0934 C 0 0 0
- -1.0334 -2.4833 0.0000 H 0 0 0
- 0.0101 -3.5128 0.0000 H 0 0 0
- 1.0396 -2.4693 0.0000 H 0 0 0
- 0.8677 -3.3802 0.0000 H 0 0 0
- 2.2113 -2.7942 0.0000 H 0 0 0
- 1.6253 -1.4506 0.0000 H 0 0 0
- -1.6293 -1.4493 0.0000 H 0 0 0
- -2.2174 -2.7920 0.0000 H 0 0 0
- -0.8747 -3.3801 0.0000 H 0 0 0
- -1.9829 3.3053 0.0000 H 0 0 0
- -3.3989 2.9263 0.0000 H 0 0 0
- -3.0199 1.5103 0.0000 H 0 0 0
- 3.0209 1.5082 0.0000 H 0 0 0
- 3.4010 2.9239 0.0000 H 0 0 0
- 1.9853 3.3040 0.0000 H 0 0 0
- 1.0381 3.8508 0.0000 H 0 0 0
- 0.0020 4.8877 0.0000 H 0 0 0
- -1.0349 3.8516 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 2 0
- 6 15 1 0
- 7 16 1 0
- 8 17 2 0
- 8 18 1 0
- 12 19 1 0
- 7 12 2 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 13 29 1 0
- 13 30 1 0
- 13 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-464-10-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.0000 0.0000 -0.2358 C 0 0 0
- 0.0000 0.0000 -1.7008 N 0 3 0
- -0.9268 1.6052 0.4196 Br 0 0 0
- -0.9268 -1.6052 0.4196 Br 0 0 0
- 1.8536 0.0000 0.4195 Br 0 0 0
- -1.0549 0.0000 -2.3097 O 0 0 0
- 1.0548 0.0000 -2.3098 O 0 5 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33372-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- 1.9197 0.4041 -0.0019 C 0 0 0
- 2.3037 -0.9593 0.0703 C 0 0 0
- 2.8683 1.4030 -0.0626 N 0 0 0
- 0.6283 0.6937 -0.0151 N 0 0 0
- 1.2860 -1.9429 0.1302 C 0 0 0
- 3.6463 -1.3506 0.0833 C 0 0 0
- 2.5924 2.1735 -1.2825 C 0 0 0
- 2.6094 2.3004 1.0712 C 0 0 0
- -0.2991 -0.2642 0.0377 C 0 0 0
- 0.0054 -1.5492 0.1163 N 0 0 0
- 1.6438 -3.2969 0.2015 C 0 0 0
- 3.9599 -2.6767 0.1534 C 0 0 0
- 3.6329 1.8285 -2.3498 C 0 0 0
- 3.3673 1.7989 2.3020 C 0 0 0
- -1.7211 0.1260 0.0198 C 0 0 0
- 2.9619 -3.6451 0.2123 C 0 0 0
- 3.4495 0.4764 -2.7743 O 0 0 0
- 4.7734 1.9190 2.0773 O 0 0 0
- -3.1733 -0.9111 0.0779 S 0 0 0
- -2.2723 1.3803 -0.0397 C 0 0 0
- -4.4066 0.3781 0.0129 C 0 0 0
- -3.6421 1.5010 -0.0440 C 0 0 0
- -5.8819 0.2561 0.0229 N 0 3 0
- -6.5761 1.2556 -0.0281 O 0 0 0
- -6.4017 -0.8439 0.0821 O 0 5 0
- 4.3883 -0.6458 0.0000 H 0 0 0
- 2.6934 3.1919 0.0000 H 0 0 0
- 1.5767 2.0484 0.0000 H 0 0 0
- 2.9080 3.2792 0.0000 H 0 0 0
- 1.5861 2.3082 0.0000 H 0 0 0
- 0.9202 -4.0206 0.0000 H 0 0 0
- 4.9422 -2.9636 0.0000 H 0 0 0
- 4.6365 1.6286 0.0000 H 0 0 0
- 3.8944 2.8179 0.0000 H 0 0 0
- 2.5754 1.1507 0.0000 H 0 0 0
- 3.7522 0.8507 0.0000 H 0 0 0
- 3.2211 -4.6351 0.0000 H 0 0 0
- 3.3120 -0.5377 0.0000 H 0 0 0
- 5.7930 2.0061 0.0000 H 0 0 0
- -1.6758 2.2118 0.0000 H 0 0 0
- -4.0804 2.4258 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 23 24 2 0
- 23 25 1 0
- 9 10 2 0
- 12 16 1 0
- 21 22 2 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 11 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 20 40 1 0
- 22 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109883-99-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.4024 1.0135 0.0000 C 0 0 1
- -1.7364 0.2348 0.0000 C 0 0 2
- 0.9316 0.2348 0.0000 C 0 0 1
- -0.4024 -0.5291 0.0000 C 0 0 0
- -0.7415 2.5413 0.0000 C 0 0 0
- -1.7364 -1.3079 0.0000 C 0 0 0
- -2.8879 1.3042 0.0000 C 0 0 1
- 0.9316 -1.3079 0.0000 C 0 0 1
- 2.4295 0.6968 0.0000 C 0 0 0
- -2.2395 2.6755 0.0000 O 0 0 0
- 0.2199 3.7039 0.0000 O 0 0 0
- -0.4024 -2.0830 0.0000 C 0 0 0
- -3.0630 -2.0830 0.0000 C 0 0 0
- -4.3970 1.0583 0.0000 O 0 0 0
- 2.4295 -1.7663 0.0000 C 0 0 0
- 0.7005 -2.7798 0.0000 O 0 0 0
- 3.2791 -0.5291 0.0000 C 0 0 0
- -3.0630 -3.6033 0.0000 O 0 0 0
- 4.5908 -1.3079 0.0000 C 0 0 0
- 4.5908 0.2348 0.0000 C 0 0 0
- 1.0634 1.3802 0.0000 H 0 0 0
- -0.7942 -1.6134 0.0000 H 0 0 0
- 0.7332 -0.7280 0.0000 H 0 0 0
- -3.2214 0.2006 0.0000 H 0 0 0
- 3.4392 1.2533 0.0000 H 0 0 0
- 1.9790 1.7581 0.0000 H 0 0 0
- -0.4024 -3.2359 0.0000 H 0 0 0
- -4.0630 -1.5091 0.0000 H 0 0 0
- -5.5349 0.8729 0.0000 H 0 0 0
- 1.9820 -2.8289 0.0000 H 0 0 0
- 3.4412 -2.3192 0.0000 H 0 0 0
- 0.5217 -3.9188 0.0000 H 0 0 0
- 4.0022 -2.2993 0.0000 H 0 0 0
- 5.5822 -1.8965 0.0000 H 0 0 0
- 5.1794 -0.3165 0.0000 H 0 0 0
- 5.1710 -0.7615 0.0000 H 0 0 0
- 5.5871 0.8150 0.0000 H 0 0 0
- 4.0106 1.2311 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 6
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 6
- 8 15 1 0
- 8 16 1 1
- 9 17 1 0
- 13 18 2 0
- 17 19 1 0
- 17 20 1 0
- 2 4 1 1
- 7 10 1 0
- 8 12 1 0
- 15 17 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 20 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.2247 -0.6659 0.0000 C 0 0 0
- -1.0506 0.1369 0.0000 C 0 0 0
- 1.4248 0.2832 0.0000 C 0 0 0
- -2.2379 -0.4893 0.0000 O 0 0 0
- -1.0044 1.3443 0.0000 O 0 0 0
- 2.7196 -0.5319 0.0000 C 0 0 0
- -3.4666 0.2843 0.0000 C 0 0 0
- 3.9197 0.4171 0.0000 C 0 0 0
- -4.6667 -0.6648 0.0000 C 0 0 0
- 5.2145 -0.3980 0.0000 C 0 0 0
- -0.4925 -1.5617 0.0000 H 0 0 0
- 1.0337 -1.4797 0.0000 H 0 0 0
- 2.1420 1.1790 0.0000 H 0 0 0
- 0.6158 1.0970 0.0000 H 0 0 0
- 2.0024 -1.4277 0.0000 H 0 0 0
- 3.5285 -1.3457 0.0000 H 0 0 0
- -2.7494 1.1800 0.0000 H 0 0 0
- -4.2755 1.0981 0.0000 H 0 0 0
- 4.6369 1.3129 0.0000 H 0 0 0
- 3.1108 1.2309 0.0000 H 0 0 0
- -5.3785 0.2352 0.0000 H 0 0 0
- -5.5667 -1.3766 0.0000 H 0 0 0
- -3.9549 -1.5648 0.0000 H 0 0 0
- 4.6032 -1.3691 0.0000 H 0 0 0
- 6.1856 -1.0093 0.0000 H 0 0 0
- 5.8258 0.5731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 3 13 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16582-03-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 1.2951 0.4222 0.0033 C 0 0 0
- 0.9270 -0.9981 -0.0003 C 0 0 0
- 2.6710 0.7679 0.0025 C 0 0 0
- 0.3534 1.3572 0.0017 N 0 0 0
- -0.3535 -1.3571 -0.0002 N 0 0 0
- 1.9539 -1.9648 -0.0044 C 0 0 0
- 3.6109 -0.2220 -0.0016 C 0 0 0
- 3.0592 2.1048 0.0054 N 0 0 0
- -0.9268 0.9983 -0.0032 C 0 0 0
- -1.2950 -0.4223 0.0033 C 0 0 0
- 3.2535 -1.5683 -0.0050 C 0 0 0
- -1.9540 1.9649 -0.0054 C 0 0 0
- -2.6710 -0.7680 0.0041 C 0 0 0
- -3.2535 1.5682 -0.0109 C 0 0 0
- -3.6109 0.2219 0.0081 C 0 0 0
- -3.0592 -2.1049 0.0012 N 0 0 0
- 1.7163 -2.9815 0.0000 H 0 0 0
- 4.6225 0.0363 0.0000 H 0 0 0
- 4.0731 2.3540 0.0000 H 0 0 0
- 2.3364 2.8583 0.0000 H 0 0 0
- 4.0052 -2.2929 0.0000 H 0 0 0
- -1.7166 2.9816 0.0000 H 0 0 0
- -4.0052 2.2928 0.0000 H 0 0 0
- -4.6225 -0.0364 0.0000 H 0 0 0
- -4.0731 -2.3541 0.0000 H 0 0 0
- -2.3364 -2.8584 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 9 12 1 0
- 10 13 1 0
- 12 14 2 0
- 13 15 2 0
- 13 16 1 0
- 7 11 1 0
- 9 10 1 0
- 14 15 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134109-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.1413 -0.4300 -0.1354 C 0 0 0
- -1.6005 -0.4959 -0.2053 C 0 0 0
- 0.4846 0.8919 -0.0188 C 0 0 0
- 0.6397 -1.5771 -0.1715 C 0 0 0
- -2.3321 0.6790 -0.1582 C 0 0 0
- -2.3000 -1.7859 -0.3237 C 0 0 0
- 1.8732 1.0042 0.0498 C 0 0 0
- -0.3448 2.0320 0.0221 C 0 0 0
- 2.0293 -1.4670 -0.1024 C 0 0 0
- -1.6950 1.9108 -0.0460 C 0 0 0
- -3.8366 0.6062 -0.2321 C 0 0 2
- -3.5879 -1.8630 -0.0052 C 0 0 0
- 2.6594 -0.1480 0.0076 C 0 0 0
- 2.6181 2.5664 0.1861 Cl 0 0 0
- 2.8530 -2.6119 -0.1360 C 0 0 0
- -4.3316 -0.6497 0.4817 C 0 0 1
- -4.2450 0.5684 -1.6009 O 0 0 0
- 4.0669 -0.0726 0.0745 C 0 0 0
- 4.2015 -2.4690 -0.0676 C 0 0 0
- -4.1374 -0.5051 1.8900 O 0 0 0
- 4.8016 -1.2136 0.0320 C 0 0 0
- 0.1879 -2.5196 0.0000 H 0 0 0
- -1.7388 -2.6676 0.0000 H 0 0 0
- 0.0873 2.9837 0.0000 H 0 0 0
- -2.2778 2.7784 0.0000 H 0 0 0
- -3.9100 1.6488 0.0000 H 0 0 0
- -4.0710 -2.7898 0.0000 H 0 0 0
- 2.4261 -3.5659 0.0000 H 0 0 0
- -5.3728 -0.7407 0.0000 H 0 0 0
- -5.2857 0.4721 0.0000 H 0 0 0
- 4.5427 0.8580 0.0000 H 0 0 0
- 4.8047 -3.3225 0.0000 H 0 0 0
- -3.2991 0.1191 0.0000 H 0 0 0
- 5.8447 -1.1477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 1 0
- 18 21 2 0
- 8 10 2 0
- 9 13 2 0
- 12 16 1 0
- 19 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60768-66-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.8091 0.6649 -0.0025 C 0 0 0
- -1.2097 -0.6920 -0.0011 C 0 0 0
- 0.5809 0.9196 -0.0019 C 0 0 0
- -1.9324 1.5824 0.0014 C 0 0 0
- -0.2944 -1.7224 0.0014 C 0 0 0
- -2.9782 -0.5781 -0.0024 S 0 0 0
- 1.4681 -0.1112 -0.0001 C 0 0 0
- -3.1457 1.1220 0.0057 N 0 0 0
- 1.0452 -1.4347 0.0026 C 0 0 0
- 2.9186 0.1838 0.0000 N 0 3 0
- 3.7256 -0.7284 0.0016 O 0 0 0
- 3.3051 1.3389 -0.0016 O 0 5 0
- 0.9279 1.9022 0.0000 H 0 0 0
- -1.7652 2.6110 0.0000 H 0 0 0
- -0.6187 -2.7127 0.0000 H 0 0 0
- 1.7452 -2.2067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57404-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.8107 -0.2008 0.0504 C 0 0 0
- -2.1967 0.0319 -0.0029 C 0 0 0
- 0.0767 0.8913 0.1642 C 0 0 0
- -0.3191 -1.5248 -0.0164 C 0 0 0
- -2.6874 1.3554 0.0557 C 0 0 0
- -3.0865 -1.0601 -0.1150 C 0 0 0
- 1.4596 0.6340 0.2182 C 0 0 0
- -0.4398 2.2045 0.2203 C 0 0 0
- 1.0624 -1.7426 0.0372 C 0 0 0
- -1.2332 -2.5988 -0.1348 C 0 0 0
- -1.7737 2.4306 0.1673 C 0 0 0
- -4.0684 1.5656 0.0018 C 0 0 0
- -2.5672 -2.3760 -0.1742 C 0 0 0
- -4.4599 -0.8079 -0.1654 C 0 0 0
- 1.9315 -0.6810 0.1555 C 0 0 0
- 2.4259 1.7399 0.3414 C 0 0 0
- -4.9290 0.4906 -0.1066 C 0 0 0
- 3.4178 -0.9285 0.2150 C 0 0 1
- 3.6969 1.5394 0.0111 C 0 0 0
- 4.1606 0.2014 -0.4945 C 0 0 2
- 3.8362 -0.9901 1.5800 O 0 0 0
- 3.9254 0.1163 -1.9015 O 0 0 0
- 0.2230 3.0208 0.0000 H 0 0 0
- 1.4369 -2.7251 0.0000 H 0 0 0
- -0.8726 -3.5865 0.0000 H 0 0 0
- -2.1335 3.4186 0.0000 H 0 0 0
- -4.4509 2.5450 0.0000 H 0 0 0
- -3.2285 -3.1935 0.0000 H 0 0 0
- -5.1396 -1.6102 0.0000 H 0 0 0
- 2.0672 2.7283 0.0000 H 0 0 0
- -5.9663 0.6625 0.0000 H 0 0 0
- 3.2549 -1.9673 0.0000 H 0 0 0
- 4.3717 2.3458 0.0000 H 0 0 0
- 5.2040 0.0714 0.0000 H 0 0 0
- 4.8765 -1.1433 0.0000 H 0 0 0
- 2.9366 -0.2415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 1 0
- 18 21 1 0
- 20 22 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 19 20 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.6950 0.0000 0.0018 N 0 0 0
- 0.0994 -1.1081 0.0008 C 0 0 0
- 0.0994 1.1081 0.0008 C 0 0 0
- -2.1600 0.0000 -0.0018 C 0 0 0
- 1.3860 -0.7045 -0.0009 C 0 0 0
- 1.3860 0.7045 -0.0009 C 0 0 0
- -0.2246 -2.0780 0.0000 H 0 0 0
- -0.2246 2.0780 0.0000 H 0 0 0
- -2.1600 1.0226 0.0000 H 0 0 0
- -3.1826 0.0000 0.0000 H 0 0 0
- -2.1600 -1.0226 0.0000 H 0 0 0
- 2.2102 -1.3098 0.0000 H 0 0 0
- 2.2102 1.3098 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 2 0
- 5 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-69-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.4920 0.1201 0.0009 C 0 0 0
- -0.9379 0.4428 0.0008 C 0 0 0
- 1.4270 1.1801 0.0001 C 0 0 0
- 0.9435 -1.2006 -0.0040 C 0 0 0
- -1.3269 1.8013 0.0000 C 0 0 0
- -1.9130 -0.5563 0.0011 C 0 0 0
- 2.7969 0.8829 0.0001 C 0 0 0
- 0.9732 2.5197 -0.0002 C 0 0 0
- 2.2852 -1.4574 -0.0043 C 0 0 0
- -0.3419 2.8163 -0.0012 C 0 0 0
- -2.6920 2.1213 -0.0001 C 0 0 0
- -3.2347 -0.2121 0.0005 C 0 0 0
- 3.2076 -0.4182 0.0009 C 0 0 0
- -3.6214 1.1229 0.0006 C 0 0 0
- -4.2670 -1.2730 0.0003 N 0 3 0
- 4.6552 -0.7269 0.0010 N 0 3 0
- -5.4477 -0.9738 -0.0002 O 0 0 0
- -3.9358 -2.4451 0.0007 O 0 5 0
- 5.0309 -1.8855 0.0017 O 0 0 0
- 5.4708 0.1778 0.0003 O 0 5 0
- 0.2584 -1.9892 0.0000 H 0 0 0
- -1.6330 -1.5627 0.0000 H 0 0 0
- 3.5008 1.6548 0.0000 H 0 0 0
- 1.6721 3.2960 0.0000 H 0 0 0
- 2.6216 -2.4464 0.0000 H 0 0 0
- -0.6399 3.8175 0.0000 H 0 0 0
- -2.9962 3.1206 0.0000 H 0 0 0
- -4.6376 1.3649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 10 2 0
- 9 13 2 0
- 12 14 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70021-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.5775 -0.6557 -0.0039 C 0 0 0
- -0.8196 -0.8198 -0.0113 C 0 0 0
- 1.1275 0.6485 0.0254 C 0 0 0
- 1.4170 -1.7932 -0.0317 C 0 0 0
- -1.6642 0.3121 0.0099 C 0 0 0
- -1.3763 -2.1206 -0.0407 C 0 0 0
- 2.5945 0.8103 0.0330 C 0 0 0
- 0.2837 1.7540 0.0471 C 0 0 0
- 2.8695 -1.6217 -0.0234 C 0 0 0
- 0.8484 -3.0715 -0.0663 C 0 0 0
- -3.0630 0.1357 0.0018 C 0 0 0
- -1.0943 1.5960 0.0385 C 0 0 0
- -0.5331 -3.2339 -0.0616 C 0 0 0
- -2.8325 -2.2615 -0.0478 C 0 0 0
- 3.4285 -0.3357 0.0110 C 0 0 0
- 3.1644 2.0751 0.0611 C 0 0 0
- -3.6212 -1.1325 -0.0273 C 0 0 0
- -3.9488 1.3228 0.0242 N 0 3 0
- 4.8285 -0.1703 0.0181 C 0 0 0
- 4.5475 2.2142 0.0675 C 0 0 0
- -4.8915 1.3648 0.7942 O 0 0 0
- -3.6994 2.4088 -0.8497 O 0 5 0
- 5.3686 1.0998 0.0462 C 0 0 0
- 0.6955 2.7217 0.0000 H 0 0 0
- 3.4968 -2.4658 0.0000 H 0 0 0
- 1.4719 -3.9184 0.0000 H 0 0 0
- -1.7169 2.4435 0.0000 H 0 0 0
- -0.9453 -4.2014 0.0000 H 0 0 0
- -3.2731 -3.2164 0.0000 H 0 0 0
- 2.5501 2.9287 0.0000 H 0 0 0
- -4.6679 -1.2350 0.0000 H 0 0 0
- 5.4592 -1.0119 0.0000 H 0 0 0
- 4.9742 3.1754 0.0000 H 0 0 0
- 6.4132 1.2220 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-532-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.1492 -0.0908 0.3108 C 0 0 0
- -1.3047 -0.2482 0.6745 C 0 0 0
- 0.9153 0.8800 0.9290 C 0 0 0
- 0.7183 -0.9207 -0.6367 C 0 0 0
- -2.1245 0.6063 -0.2000 C 0 0 0
- -1.6927 -1.6132 0.5062 O 0 0 0
- 2.2488 1.0243 0.5955 C 0 0 0
- 2.0522 -0.7763 -0.9704 C 0 0 0
- -2.7571 1.2657 -0.8749 N 0 0 0
- 2.8166 0.1980 -0.3565 C 0 0 0
- -0.9872 0.6239 0.0000 H 0 0 0
- 0.4661 1.6922 0.0000 H 0 0 0
- 0.3306 -1.7640 0.0000 H 0 0 0
- -1.9465 -2.5060 0.0000 H 0 0 0
- 2.6361 1.8678 0.0000 H 0 0 0
- 2.5026 -1.5878 0.0000 H 0 0 0
- 3.7443 0.1687 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 3 0
- 7 10 1 0
- 8 10 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14191-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.4944 -0.5870 -0.0007 C 0 0 0
- -1.9655 -0.4874 -0.0006 C 0 0 0
- -0.0066 0.7281 0.0003 C 0 0 0
- 0.3939 -1.6600 0.0034 C 0 0 0
- -2.2716 0.8814 0.0005 C 0 0 0
- -2.9902 -1.4310 -0.0014 C 0 0 0
- -1.0857 1.5938 0.0010 N 0 0 0
- 1.3681 0.9453 0.0004 C 0 0 0
- 1.7518 -1.4249 0.0019 C 0 0 0
- -3.6045 1.2818 0.0004 C 0 0 0
- -4.3040 -1.0150 -0.0010 C 0 0 0
- 2.2356 -0.1255 -0.0004 C 0 0 0
- -4.6084 0.3378 -0.0007 C 0 0 0
- 3.6964 0.1136 -0.0008 N 0 3 0
- 4.4678 -0.8290 -0.0015 O 0 0 0
- 4.1271 1.2529 -0.0003 O 0 5 0
- 0.0335 -2.6355 0.0000 H 0 0 0
- -2.7645 -2.4461 0.0000 H 0 0 0
- -1.0155 2.6314 0.0000 H 0 0 0
- 1.7409 1.9161 0.0000 H 0 0 0
- 2.4161 -2.2250 0.0000 H 0 0 0
- -3.8430 2.2940 0.0000 H 0 0 0
- -5.0700 -1.7183 0.0000 H 0 0 0
- -5.6027 0.6425 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 2 0
- 14 16 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122547-49-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.6313 1.0882 0.5912 N 0 0 0
- -2.4057 -0.0480 1.1234 C 0 0 1
- -0.3858 0.7456 0.0710 C 0 0 0
- -2.6454 1.3706 -0.2581 C 0 0 0
- -3.4722 0.1520 0.0524 C 0 0 2
- -1.3185 -1.4560 0.6912 S 0 0 0
- 0.0006 -0.5703 -0.0007 C 0 0 0
- 0.4742 1.7444 -0.3792 C 0 0 0
- -2.8280 2.2985 -1.0178 O 0 0 0
- -4.8678 0.4579 0.5997 C 0 0 1
- 1.2874 -1.1221 -0.5582 C 0 0 1
- 1.7234 1.4316 -0.7678 O 0 0 0
- 0.0554 3.0220 -0.4254 O 0 0 0
- -5.8442 0.6368 -0.5645 C 0 0 0
- -5.3036 -0.6244 1.4249 O 0 0 0
- 2.0387 -1.8894 0.5470 C 0 0 0
- 0.9920 -2.0615 -1.6053 O 0 0 0
- 2.1748 -3.3260 -0.0138 C 0 0 0
- 1.9940 -3.0986 -1.5363 C 0 0 0
- 12.9224 1.1477 0.7566 Na 0 3 0
- -2.9218 -0.8911 0.0000 H 0 0 0
- -3.6691 -0.8167 0.0000 H 0 0 0
- -4.6729 1.4270 0.0000 H 0 0 0
- 1.8460 -0.3065 0.0000 H 0 0 0
- -5.6660 1.6091 0.0000 H 0 0 0
- -6.8165 0.8150 0.0000 H 0 0 0
- -6.0224 -0.3355 0.0000 H 0 0 0
- -5.6728 -1.5414 0.0000 H 0 0 0
- 3.0071 -2.0881 0.0000 H 0 0 0
- 2.5119 -1.0215 0.0000 H 0 0 0
- 1.6431 -4.1594 0.0000 H 0 0 0
- 3.1358 -3.5578 0.0000 H 0 0 0
- 2.9665 -2.9213 0.0000 H 0 0 0
- 2.2967 -2.1575 0.0000 H 0 0 0
- -0.2525 3.9613 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 11 7 1 0
- 8 12 2 0
- 8 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 16 18 1 0
- 17 19 1 0
- 4 5 1 0
- 6 7 1 0
- 18 19 1 0
- 2 21 1 0
- 5 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 13 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-30-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.3724 -0.0001 0.0038 C 0 0 0
- -0.6829 -1.1984 0.0031 C 0 0 0
- -0.6826 1.1986 0.0027 C 0 0 0
- -2.8527 -0.0001 -0.0003 N 0 3 0
- 0.6996 -1.2024 0.0012 C 0 0 0
- 0.6994 1.2025 0.0009 C 0 0 0
- -3.4617 1.0547 0.0004 O 0 0 0
- -3.4617 -1.0549 -0.0044 O 0 5 0
- 1.3960 -0.0001 0.0001 C 0 0 0
- 1.5644 -2.7076 -0.0004 Cl 0 0 0
- 1.5642 2.7078 -0.0011 Cl 0 0 0
- 2.7942 -0.0001 -0.0014 N 0 0 0
- -1.2047 -2.0976 0.0000 H 0 0 0
- -1.2043 2.0979 0.0000 H 0 0 0
- 3.3140 -0.9005 0.0000 H 0 0 0
- 3.3140 0.9003 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 6 9 1 0
- 2 13 1 0
- 3 14 1 0
- 12 15 1 0
- 12 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 1.7051 -0.2827 0.0000 C 0 0 0
- 0.2051 -0.1374 -0.0008 C 0 0 0
- 2.3517 1.1040 -0.0026 C 0 0 0
- 2.1428 -1.0472 1.2509 C 0 0 0
- 2.1436 -1.0522 -1.2476 C 0 0 0
- -0.5972 -1.2633 0.0012 C 0 0 0
- -0.3665 1.1218 0.0022 C 0 0 0
- 3.8746 0.9565 -0.0018 C 0 0 0
- -1.9727 -1.1328 0.0009 C 0 0 0
- -1.7410 1.2576 0.0019 C 0 0 0
- -2.5484 0.1292 -0.0014 C 0 0 0
- -3.9011 0.2601 -0.0021 O 0 0 0
- 2.5677 2.1183 0.0000 H 0 0 0
- 1.3683 1.4332 0.0000 H 0 0 0
- 1.2428 -1.5625 0.0000 H 0 0 0
- 2.6581 -1.9472 0.0000 H 0 0 0
- 3.0428 -0.5319 0.0000 H 0 0 0
- 1.2426 -1.5656 0.0000 H 0 0 0
- 2.6570 -1.9532 0.0000 H 0 0 0
- 3.0446 -0.5388 0.0000 H 0 0 0
- -0.1663 -2.2065 0.0000 H 0 0 0
- 0.2374 1.9649 0.0000 H 0 0 0
- 3.7746 -0.0757 0.0000 H 0 0 0
- 4.9068 0.8565 0.0000 H 0 0 0
- 3.9746 1.9887 0.0000 H 0 0 0
- -2.5741 -1.9776 0.0000 H 0 0 0
- -2.1692 2.2021 0.0000 H 0 0 0
- -4.9333 0.3600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 7 10 2 0
- 9 11 2 0
- 11 12 1 0
- 10 11 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.6097 -0.2950 -0.4122 C 0 0 1
- -0.5612 0.3448 0.3364 C 0 0 1
- 1.9278 0.2519 0.1396 C 0 0 1
- 0.5708 -1.7125 -0.2350 O 0 0 0
- -1.8714 -0.0035 -0.3728 C 0 0 2
- -0.5982 -0.1513 1.6760 O 0 0 0
- 3.0987 -0.3880 -0.6090 C 0 0 0
- 1.9667 1.6693 -0.0376 O 0 0 0
- -2.9464 1.0146 0.0129 C 0 0 0
- -2.2919 -1.3118 0.0191 O 0 0 0
- 4.3297 0.1228 -0.0936 O 0 0 0
- -4.1701 0.6892 -0.6495 O 0 0 0
- 0.6640 0.7203 0.0000 H 0 0 0
- -0.4393 1.3543 0.0000 H 0 0 0
- 1.8735 -0.7634 0.0000 H 0 0 0
- 0.5429 -2.7289 0.0000 H 0 0 0
- -1.1711 -0.7406 0.0000 H 0 0 0
- -0.6738 -1.1653 0.0000 H 0 0 0
- 2.4237 -1.1484 0.0000 H 0 0 0
- 3.6887 -1.2161 0.0000 H 0 0 0
- 1.9946 2.6857 0.0000 H 0 0 0
- -2.1238 1.6123 0.0000 H 0 0 0
- -3.3833 1.9327 0.0000 H 0 0 0
- -2.6030 -2.2798 0.0000 H 0 0 0
- 5.2688 0.5125 0.0000 H 0 0 0
- -5.1527 0.4279 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 1 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-44-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.0239 -1.0109 0.0000 C 0 0 0
- -1.2300 -0.3378 0.0002 C 0 0 0
- 1.1677 -0.2974 -0.0002 C 0 0 0
- -1.2521 1.0446 0.0001 C 0 0 0
- -2.5235 -1.1112 -0.0001 C 0 0 0
- 1.1420 1.0917 -0.0002 C 0 0 0
- 2.3892 -0.9748 0.0002 N 0 0 0
- -0.0673 1.7582 0.0000 C 0 0 0
- -0.0081 -2.0503 0.0000 H 0 0 0
- -2.1612 1.5487 0.0000 H 0 0 0
- -3.0569 -0.2190 0.0000 H 0 0 0
- -3.4157 -1.6446 0.0000 H 0 0 0
- -1.9901 -2.0034 0.0000 H 0 0 0
- 2.0321 1.6286 0.0000 H 0 0 0
- 2.4071 -2.0141 0.0000 H 0 0 0
- 3.2803 -0.4396 0.0000 H 0 0 0
- -0.0872 2.7975 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 2 0
- 1 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2257-09-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.6128 -0.2253 0.3871 C 0 0 0
- 0.2463 -0.6799 0.8310 C 0 0 0
- 1.9527 1.1126 0.4575 C 0 0 0
- 2.5284 -1.1472 -0.0852 C 0 0 0
- -0.7167 -0.6361 -0.3572 C 0 0 0
- 3.2063 1.5296 0.0502 C 0 0 0
- 3.7817 -0.7303 -0.4923 C 0 0 0
- -2.0451 -1.0780 0.0743 N 0 0 0
- 4.1197 0.6088 -0.4273 C 0 0 0
- -3.0242 -0.3079 -0.0292 C 0 0 0
- -4.2411 0.6493 -0.1578 S 0 0 0
- -0.1819 -1.5735 0.0000 H 0 0 0
- 0.9016 -1.4232 0.0000 H 0 0 0
- 1.2272 1.7874 0.0000 H 0 0 0
- 2.2988 -2.1111 0.0000 H 0 0 0
- -0.2885 0.2575 0.0000 H 0 0 0
- -1.3719 0.1072 0.0000 H 0 0 0
- 3.4362 2.4934 0.0000 H 0 0 0
- 4.5077 -1.4046 0.0000 H 0 0 0
- 5.0754 0.8703 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 10 11 2 0
- 7 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-88-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.5227 -0.2737 0.0024 C 0 0 0
- -0.7055 -1.4090 0.0014 C 0 0 0
- -0.9410 0.9988 0.0023 C 0 0 0
- -2.9866 -0.4170 -0.0026 C 0 0 0
- 0.6655 -1.2670 0.0003 C 0 0 0
- 0.4311 1.1254 0.0013 C 0 0 0
- -3.6924 0.5691 -0.0017 O 0 0 0
- 1.2345 -0.0038 0.0003 C 0 0 0
- 2.9623 0.1654 -0.0011 Cl 0 0 0
- -1.1311 -2.3573 0.0000 H 0 0 0
- -1.5424 1.8465 0.0000 H 0 0 0
- -3.4161 -1.3635 0.0000 H 0 0 0
- 1.2740 -2.1097 0.0000 H 0 0 0
- 0.8646 2.0701 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-344-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.6756 -0.0002 0.0015 C 0 0 0
- -0.9826 -1.1999 0.0010 C 0 0 0
- -0.9825 1.2000 0.0012 C 0 0 0
- -3.0266 -0.0002 -0.0035 F 0 0 0
- 0.4034 -1.1995 0.0003 C 0 0 0
- -1.6578 -2.3701 0.0008 F 0 0 0
- 0.4031 1.1996 0.0005 C 0 0 0
- -1.6578 2.3701 0.0012 F 0 0 0
- 1.0956 -0.0001 0.0001 C 0 0 0
- 1.0792 -2.3693 0.0003 F 0 0 0
- 1.0788 2.3695 -0.0002 F 0 0 0
- 2.8316 0.0000 -0.0008 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27730-03-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -2.6771 -1.2033 -0.2924 C 0 0 0
- -3.2882 -2.2425 -0.1619 O 0 0 0
- -1.1978 -1.2299 -0.5785 C 0 0 0
- -3.3814 0.0838 -0.1774 C 0 0 0
- -0.4230 -1.2222 0.7407 C 0 0 0
- -0.6259 -2.4145 -0.0204 O 0 0 0
- -4.7551 0.1125 0.0823 C 0 0 0
- -2.6790 1.2847 -0.3216 C 0 0 0
- 0.9719 -0.7046 0.5011 C 0 0 0
- -5.4077 1.3227 0.1891 C 0 0 0
- -3.3458 2.4864 -0.2120 C 0 0 0
- 1.2345 0.6483 0.6061 C 0 0 0
- 1.9901 -1.5837 0.1816 C 0 0 0
- -4.7068 2.5065 0.0400 C 0 0 0
- 2.5142 1.1232 0.3862 C 0 0 0
- 3.2694 -1.1089 -0.0382 C 0 0 0
- 3.5309 0.2450 0.0612 C 0 0 0
- 4.9009 0.7535 -0.1742 N 0 3 0
- 5.7968 -0.0204 -0.4605 O 0 0 0
- 5.1323 1.9457 -0.0816 O 0 5 0
- -1.1937 -0.2028 0.0000 H 0 0 0
- -0.6095 -0.2122 0.0000 H 0 0 0
- -5.2907 -0.7639 0.0000 H 0 0 0
- -1.6519 1.2731 0.0000 H 0 0 0
- -6.4346 1.3433 0.0000 H 0 0 0
- -2.8182 3.3676 0.0000 H 0 0 0
- 0.4513 1.3128 0.0000 H 0 0 0
- 1.8078 -2.5945 0.0000 H 0 0 0
- -5.2089 3.4025 0.0000 H 0 0 0
- 2.6966 2.1340 0.0000 H 0 0 0
- 4.0529 -1.7730 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 7 1 0
- 11 8 2 0
- 12 9 2 0
- 13 9 1 0
- 14 10 2 0
- 15 12 1 0
- 16 13 2 0
- 17 15 2 0
- 18 17 1 0
- 19 18 2 0
- 20 18 1 0
- 5 6 1 0
- 11 14 1 0
- 16 17 1 0
- 3 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127128-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- -1.6892 -0.2624 0.0677 C 0 0 0
- -2.8631 0.2690 -0.3449 O 0 0 0
- -0.5296 0.3286 -0.2668 C 0 0 0
- -3.8993 -0.5737 0.1633 C 0 0 0
- 0.6986 -0.2274 0.1649 C 0 0 0
- -5.2606 -0.0258 -0.2698 C 0 0 0
- 1.8692 0.3692 -0.1728 C 0 0 0
- -6.3700 -0.9281 0.2743 C 0 0 0
- -5.4272 1.2969 0.2447 O 0 0 0
- 3.0936 -0.1851 0.2575 C 0 0 0
- -7.6415 -0.4163 -0.1301 O 0 0 0
- 4.2629 0.4109 -0.0798 C 0 0 0
- 5.5315 -0.1634 0.3661 C 0 0 0
- 6.6835 0.4237 0.0337 C 0 0 0
- 7.9909 -0.1682 0.4933 C 0 0 0
- 8.8432 -0.5298 -0.7248 C 0 0 0
- -1.6660 -1.2638 0.0000 H 0 0 0
- -0.5528 1.3300 0.0000 H 0 0 0
- -4.4238 -1.4271 0.0000 H 0 0 0
- -3.1459 -1.2339 0.0000 H 0 0 0
- 0.7218 -1.2288 0.0000 H 0 0 0
- -6.1903 0.3470 0.0000 H 0 0 0
- 1.8460 1.3706 0.0000 H 0 0 0
- -6.8945 -1.7815 0.0000 H 0 0 0
- -5.6166 -1.5883 0.0000 H 0 0 0
- -5.5524 2.2908 0.0000 H 0 0 0
- 3.1168 -1.1865 0.0000 H 0 0 0
- -8.5708 -0.0423 0.0000 H 0 0 0
- 4.2397 1.4123 0.0000 H 0 0 0
- 5.5547 -1.1648 0.0000 H 0 0 0
- 6.6604 1.4251 0.0000 H 0 0 0
- 7.1815 -0.7584 0.0000 H 0 0 0
- 8.1052 -1.1634 0.0000 H 0 0 0
- 8.4520 -1.4519 0.0000 H 0 0 0
- 9.7653 -0.9210 0.0000 H 0 0 0
- 9.2344 0.3923 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 2 0
- 12 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 1 0
- 1 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.3729 0.5090 -0.0997 C 0 0 0
- 1.1504 1.1800 -0.2154 N 0 0 0
- 2.6557 -0.5693 -0.9274 C 0 0 0
- 3.3083 0.9239 0.8394 C 0 0 0
- -0.0061 0.4938 -0.1258 C 0 0 0
- 3.8636 -1.2293 -0.8110 C 0 0 0
- 4.5140 0.2599 0.9507 C 0 0 0
- -1.1781 1.1137 -0.3682 N 0 0 0
- 0.0078 -0.6845 0.1738 O 0 0 0
- 4.7905 -0.8171 0.1284 C 0 0 0
- -2.3848 0.4426 -0.1407 C 0 0 0
- -3.5898 1.1254 -0.2385 C 0 0 0
- -2.3799 -0.9093 0.1779 C 0 0 0
- -4.7792 0.4600 -0.0138 C 0 0 0
- -3.5724 -1.5688 0.4014 C 0 0 0
- -4.7707 -0.8846 0.3083 C 0 0 0
- 1.1334 2.1938 0.0000 H 0 0 0
- 1.8569 -1.1938 0.0000 H 0 0 0
- 3.3518 1.9369 0.0000 H 0 0 0
- 3.8222 -2.2424 0.0000 H 0 0 0
- 5.3154 0.8810 0.0000 H 0 0 0
- -1.1888 2.1276 0.0000 H 0 0 0
- 5.7033 -1.2586 0.0000 H 0 0 0
- -3.5870 2.1393 0.0000 H 0 0 0
- -1.5056 -1.4227 0.0000 H 0 0 0
- -5.6555 0.9701 0.0000 H 0 0 0
- -3.5793 -2.5827 0.0000 H 0 0 0
- -5.6460 -1.3964 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 15 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-809-73-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 75 1 V2000
- -4.0961 1.1751 0.0042 C 0 0 0
- -4.5948 -0.2006 0.0019 C 0 0 0
- -2.7666 1.4113 0.0039 C 0 0 0
- -5.0663 2.3282 0.0006 C 0 0 0
- -3.6527 -1.3204 -0.0006 C 0 0 0
- -5.7953 -0.4140 0.0026 O 0 0 0
- -1.8245 0.2916 0.0013 C 0 0 0
- -4.3456 3.6025 0.4452 C 0 0 0
- -5.6218 2.5229 -1.4117 C 0 0 0
- -6.2165 2.0300 0.9645 C 0 0 0
- -2.3231 -1.0841 -0.0009 C 0 0 0
- -4.1663 -2.7372 -0.0025 C 0 0 0
- -0.4507 0.5357 0.0005 C 0 0 0
- -3.0442 -3.6869 0.4216 C 0 0 0
- -5.3343 -2.8575 0.9784 C 0 0 0
- -4.6417 -3.1055 -1.4093 C 0 0 0
- 0.4507 -0.5357 -0.0019 C 0 0 0
- 1.8245 -0.2916 -0.0027 C 0 0 0
- 2.3232 1.0841 -0.0010 C 0 0 0
- 2.7666 -1.4113 0.0007 C 0 0 0
- 3.6527 1.3204 -0.0018 C 0 0 0
- 4.0961 -1.1751 -0.0001 C 0 0 0
- 4.5948 0.2007 -0.0049 C 0 0 0
- 4.1663 2.7372 0.0000 C 0 0 0
- 5.0663 -2.3282 0.0035 C 0 0 0
- 5.7953 0.4140 -0.0064 O 0 0 0
- 3.0466 3.6849 0.4348 C 0 0 0
- 5.3398 2.8530 0.9749 C 0 0 0
- 4.6338 3.1120 -1.4078 C 0 0 0
- 4.3416 -3.6031 0.4399 C 0 0 0
- 5.6346 -2.5209 -1.4039 C 0 0 0
- 6.2077 -2.0314 0.9782 C 0 0 0
- -2.4087 2.3986 0.0000 H 0 0 0
- -3.4315 3.0855 0.0000 H 0 0 0
- -3.8286 4.5166 0.0000 H 0 0 0
- -5.2597 4.1195 0.0000 H 0 0 0
- -5.2745 3.5139 0.0000 H 0 0 0
- -6.6128 2.8702 0.0000 H 0 0 0
- -5.9691 1.5319 0.0000 H 0 0 0
- -6.4800 3.0465 0.0000 H 0 0 0
- -7.2330 1.7665 0.0000 H 0 0 0
- -5.9530 1.0135 0.0000 H 0 0 0
- -1.6470 -1.8876 0.0000 H 0 0 0
- -0.0928 1.5230 0.0000 H 0 0 0
- -3.7226 -4.4885 0.0000 H 0 0 0
- -2.2426 -4.3653 0.0000 H 0 0 0
- -2.3658 -2.8853 0.0000 H 0 0 0
- -5.4419 -1.8129 0.0000 H 0 0 0
- -6.3789 -2.9651 0.0000 H 0 0 0
- -5.2267 -3.9021 0.0000 H 0 0 0
- -5.2848 -2.2754 0.0000 H 0 0 0
- -5.4718 -3.7486 0.0000 H 0 0 0
- -3.9986 -3.9356 0.0000 H 0 0 0
- 0.0928 -1.5230 0.0000 H 0 0 0
- 1.6471 1.8876 0.0000 H 0 0 0
- 2.4087 -2.3986 0.0000 H 0 0 0
- 3.7250 4.4864 0.0000 H 0 0 0
- 2.2451 4.3633 0.0000 H 0 0 0
- 2.3682 2.8834 0.0000 H 0 0 0
- 5.4429 1.8080 0.0000 H 0 0 0
- 6.3848 2.9561 0.0000 H 0 0 0
- 5.2367 3.8980 0.0000 H 0 0 0
- 5.2907 2.2927 0.0000 H 0 0 0
- 5.4531 3.7689 0.0000 H 0 0 0
- 3.9769 3.9313 0.0000 H 0 0 0
- 3.4287 -3.0842 0.0000 H 0 0 0
- 3.8227 -4.5160 0.0000 H 0 0 0
- 5.2545 -4.1220 0.0000 H 0 0 0
- 5.2974 -3.5154 0.0000 H 0 0 0
- 6.6291 -2.8581 0.0000 H 0 0 0
- 5.9718 -1.5264 0.0000 H 0 0 0
- 6.4720 -3.0477 0.0000 H 0 0 0
- 7.2240 -1.7671 0.0000 H 0 0 0
- 5.9434 -1.0151 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 2 0
- 12 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 1 0
- 17 18 2 0
- 18 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 2 0
- 24 27 1 0
- 24 28 1 0
- 24 29 1 0
- 25 30 1 0
- 25 31 1 0
- 25 32 1 0
- 7 11 1 0
- 22 23 1 0
- 3 33 1 0
- 8 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 10 41 1 0
- 10 42 1 0
- 11 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 15 50 1 0
- 16 51 1 0
- 16 52 1 0
- 16 53 1 0
- 17 54 1 0
- 19 55 1 0
- 20 56 1 0
- 27 57 1 0
- 27 58 1 0
- 27 59 1 0
- 28 60 1 0
- 28 61 1 0
- 28 62 1 0
- 29 63 1 0
- 29 64 1 0
- 29 65 1 0
- 30 66 1 0
- 30 67 1 0
- 30 68 1 0
- 31 69 1 0
- 31 70 1 0
- 31 71 1 0
- 32 72 1 0
- 32 73 1 0
- 32 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101901-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- 2.2714 0.1276 -0.4092 C 0 0 0
- 0.8093 0.4426 -0.2064 C 0 0 0
- 2.9977 1.3549 -0.5116 O 0 0 0
- 2.7923 -0.6786 0.7823 C 0 0 0
- 2.4479 -0.6815 -1.6957 C 0 0 0
- 0.3871 1.6495 0.2432 C 0 0 0
- -0.2679 -0.3690 -0.4226 N 0 0 0
- 2.7516 2.1268 0.6631 C 0 0 0
- 1.9743 -1.9350 0.9349 C 0 0 0
- 3.7445 -0.2595 -2.3897 C 0 0 0
- -1.0525 1.6038 0.3123 C 0 0 0
- 1.3521 2.7581 0.5839 C 0 0 0
- -1.4198 0.3014 -0.1196 C 0 0 0
- 2.1523 -2.7260 2.0046 O 0 0 0
- 1.1582 -2.2304 0.0942 O 0 0 0
- -2.0201 2.5385 0.6950 C 0 0 0
- -2.7594 -0.0772 -0.1705 C 0 0 0
- -3.3314 2.1375 0.6334 C 0 0 0
- -3.6942 0.8677 0.2149 C 0 0 0
- -3.1720 -1.4535 -0.6251 C 0 0 0
- -3.2294 -2.3931 0.5810 C 0 0 0
- -4.4611 -1.3861 -1.2381 O 0 0 0
- 3.5537 -1.3426 0.0000 H 0 0 0
- 3.5560 -0.0173 0.0000 H 0 0 0
- 1.4686 -0.9296 0.0000 H 0 0 0
- 2.7284 -1.6520 0.0000 H 0 0 0
- -0.2080 -1.3775 0.0000 H 0 0 0
- 3.7598 2.1919 0.0000 H 0 0 0
- 2.9321 3.1208 0.0000 H 0 0 0
- 4.0572 -1.2202 0.0000 H 0 0 0
- 4.7052 0.0532 0.0000 H 0 0 0
- 3.4318 0.7012 0.0000 H 0 0 0
- 1.8552 3.6342 0.0000 H 0 0 0
- 0.5291 3.3441 0.0000 H 0 0 0
- 2.3741 -3.7116 0.0000 H 0 0 0
- -1.7842 3.5208 0.0000 H 0 0 0
- -4.0523 2.8452 0.0000 H 0 0 0
- -4.6728 0.6169 0.0000 H 0 0 0
- -2.1774 -1.6305 0.0000 H 0 0 0
- -4.2378 -2.3315 0.0000 H 0 0 0
- -3.2910 -3.4015 0.0000 H 0 0 0
- -2.2210 -2.4547 0.0000 H 0 0 0
- -5.4700 -1.3334 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 2 0
- 11 16 1 0
- 13 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 20 21 1 0
- 20 22 1 0
- 8 12 1 0
- 11 13 2 0
- 18 19 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 12 33 1 0
- 12 34 1 0
- 14 35 1 0
- 16 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-132742-01-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.5556 -0.0079 -0.0643 C 0 0 0
- -0.7415 0.5340 -0.0139 C 0 0 0
- 1.6774 0.8534 -0.0809 C 0 0 0
- 0.7305 -1.4109 -0.1040 C 0 0 0
- -1.8639 -0.3257 0.0011 C 0 0 0
- -0.9183 1.9361 0.0210 C 0 0 0
- 2.9562 0.3040 -0.1326 C 0 0 0
- 1.4637 2.2977 -0.0428 C 0 0 0
- 2.0202 -1.9369 -0.1545 C 0 0 0
- -0.4479 -2.2739 -0.0919 C 0 0 0
- -3.1446 0.2330 0.0505 C 0 0 0
- -1.6844 -1.7304 -0.0330 C 0 0 0
- 0.2075 2.7953 0.0055 C 0 0 0
- -2.2163 2.4544 0.0703 C 0 0 0
- 3.1213 -1.0822 -0.1652 C 0 0 0
- 4.1714 1.1936 -0.1552 C 0 0 0
- -3.3039 1.6043 0.0844 C 0 0 0
- -4.3341 -0.6485 0.0660 N 0 3 0
- 4.4923 -1.6370 -0.2190 C 0 0 0
- 5.3132 0.5312 0.6132 C 0 0 0
- -5.2693 -0.4226 -0.6808 O 0 0 0
- -4.3773 -1.5996 0.8257 O 0 5 0
- 5.5187 -0.8814 0.1413 C 0 0 0
- 2.2852 2.9489 0.0000 H 0 0 0
- 2.1627 -2.9754 0.0000 H 0 0 0
- -0.3339 -3.3159 0.0000 H 0 0 0
- -2.5240 -2.3580 0.0000 H 0 0 0
- 0.0640 3.8337 0.0000 H 0 0 0
- -2.3644 3.4921 0.0000 H 0 0 0
- 4.8169 2.0195 0.0000 H 0 0 0
- 3.4419 1.9464 0.0000 H 0 0 0
- -4.2711 2.0085 0.0000 H 0 0 0
- 4.6230 -2.6771 0.0000 H 0 0 0
- 6.3582 0.4486 0.0000 H 0 0 0
- 5.6253 1.5319 0.0000 H 0 0 0
- 6.4859 -1.2856 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120812-50-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- -0.3162 0.6430 0.0016 C 0 0 0
- 0.2858 -0.6309 -0.0076 C 0 0 0
- 0.4949 1.7904 0.0116 C 0 0 0
- -1.7229 0.7789 0.0068 C 0 0 0
- 1.7060 -0.7511 -0.0049 C 0 0 0
- -0.5341 -1.7633 -0.0189 C 0 0 0
- 1.8971 1.6479 0.0103 C 0 0 0
- -0.1027 3.0707 0.0222 C 0 0 0
- -2.5083 -0.3764 0.0010 C 0 0 0
- -2.2956 2.0740 0.0182 C 0 0 0
- 2.4840 0.3491 -0.0029 C 0 0 0
- 2.2709 -2.1489 0.0052 C 0 0 0
- -1.9084 -1.6212 -0.0201 C 0 0 0
- 0.0703 -3.1149 -0.0301 N 0 3 0
- 2.6907 2.7985 0.0214 C 0 0 0
- -1.5147 3.1785 0.0225 C 0 0 0
- 0.7244 4.1969 0.0326 C 0 0 0
- -3.9848 -0.2669 0.0063 N 0 3 0
- 3.9901 0.2819 -0.0167 C 0 0 0
- 3.7347 -2.1481 -0.4272 C 0 0 0
- 0.3285 -3.6578 -1.0894 O 0 0 0
- 0.3093 -3.6838 1.0200 O 0 5 0
- 2.0979 4.0468 0.0323 C 0 0 0
- -4.6437 -0.9547 0.7655 O 0 0 0
- -4.5406 0.5109 -0.7484 O 0 5 0
- 4.4783 -1.0998 0.4099 C 0 0 0
- -3.3416 2.1785 0.0000 H 0 0 0
- 1.2540 -2.4153 0.0000 H 0 0 0
- 2.4055 -3.1914 0.0000 H 0 0 0
- -2.5126 -2.4814 0.0000 H 0 0 0
- 3.7385 2.7143 0.0000 H 0 0 0
- -1.9621 4.1298 0.0000 H 0 0 0
- 0.3013 5.1592 0.0000 H 0 0 0
- 5.0179 0.5026 0.0000 H 0 0 0
- 3.9024 1.3294 0.0000 H 0 0 0
- 3.5204 -3.1772 0.0000 H 0 0 0
- 4.6983 -2.5682 0.0000 H 0 0 0
- 2.7071 4.9035 0.0000 H 0 0 0
- 5.1941 -1.8696 0.0000 H 0 0 0
- 5.3776 -0.5554 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 2 0
- 14 22 1 0
- 15 23 1 0
- 18 24 2 0
- 18 25 1 0
- 19 26 1 0
- 7 11 1 0
- 9 13 1 0
- 10 16 2 0
- 17 23 2 0
- 20 26 1 0
- 10 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 23 38 1 0
- 26 39 1 0
- 26 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-699-18-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.2552 0.2681 -0.0013 C 0 0 0
- -0.1800 0.5896 -0.0001 C 0 0 0
- 2.2767 1.1693 -0.0003 C 0 0 0
- 1.7888 -0.9692 0.0024 O 0 0 0
- -1.0806 -0.3889 -0.0013 C 0 0 0
- 3.4729 0.4260 -0.0015 C 0 0 0
- 3.1287 -0.8773 0.0004 C 0 0 0
- -2.5248 -0.0654 -0.0001 N 0 3 0
- -2.8885 1.0971 0.0019 O 0 0 0
- -3.3497 -0.9616 -0.0012 O 0 5 0
- -0.4818 1.5543 0.0000 H 0 0 0
- 2.1924 2.1766 0.0000 H 0 0 0
- -0.7788 -1.3536 0.0000 H 0 0 0
- 4.4122 0.7993 0.0000 H 0 0 0
- 3.7725 -1.6565 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 2 0
- 8 10 1 0
- 6 7 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-523-47-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- 1.4215 1.4402 -0.5961 C 0 0 0
- 0.6351 2.7153 -0.9070 C 0 0 0
- 2.9210 1.7367 -0.6629 C 0 0 0
- 1.0610 0.9481 0.8070 C 0 0 0
- -0.2672 0.1895 0.7559 C 0 0 0
- 2.1463 -0.0088 1.3066 C 0 0 0
- -0.1717 -0.8819 -0.3381 C 0 0 0
- -1.4061 1.1425 0.3875 C 0 0 0
- 2.0884 -1.3046 0.5528 C 0 0 0
- 1.0767 -1.6892 -0.1597 C 0 0 0
- -1.4123 -1.7719 -0.2403 C 0 0 0
- -2.6434 0.3507 0.0716 C 0 0 0
- 1.1615 -3.0268 -0.8488 C 0 0 0
- -2.6458 -0.9147 -0.2032 C 0 0 0
- -3.9649 1.0750 0.0747 C 0 0 0
- 2.0164 0.5057 0.0000 H 0 0 0
- 1.5780 3.2968 0.0000 H 0 0 0
- 0.0536 3.6582 0.0000 H 0 0 0
- -0.3078 2.1338 0.0000 H 0 0 0
- 3.1359 0.6500 0.0000 H 0 0 0
- 4.0077 1.9516 0.0000 H 0 0 0
- 2.7061 2.8234 0.0000 H 0 0 0
- 0.3233 1.7745 0.0000 H 0 0 0
- -1.2490 -0.3235 0.0000 H 0 0 0
- 3.2137 -0.3050 0.0000 H 0 0 0
- 2.6741 0.9651 0.0000 H 0 0 0
- 0.7768 -0.3097 0.0000 H 0 0 0
- -0.6127 1.9156 0.0000 H 0 0 0
- -2.0947 2.0102 0.0000 H 0 0 0
- 2.9860 -1.9537 0.0000 H 0 0 0
- -2.1436 -2.6039 0.0000 H 0 0 0
- -0.6686 -2.5929 0.0000 H 0 0 0
- 0.0560 -3.0969 0.0000 H 0 0 0
- 1.2316 -4.1323 0.0000 H 0 0 0
- 2.2670 -2.9567 0.0000 H 0 0 0
- -3.6280 -1.4270 0.0000 H 0 0 0
- -3.4325 2.0464 0.0000 H 0 0 0
- -4.9363 1.6074 0.0000 H 0 0 0
- -4.4973 0.1036 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 1 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 1 0
- 11 7 1 0
- 12 8 1 0
- 13 10 1 0
- 14 11 1 0
- 15 12 1 0
- 9 10 2 0
- 12 14 2 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 13 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3958-60-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.6958 0.2482 -1.1705 C 0 0 0
- -2.0945 0.2609 0.2110 Br 0 0 0
- 0.6188 0.6577 -0.5581 C 0 0 0
- 1.4608 -0.2998 -0.0247 C 0 0 0
- 0.9852 1.9906 -0.5349 C 0 0 0
- 1.0712 -1.7275 -0.0550 N 0 3 0
- 2.6670 0.0758 0.5368 C 0 0 0
- 2.1909 2.3662 0.0268 C 0 0 0
- 0.9321 -2.3431 0.9867 O 0 0 0
- 0.8898 -2.2868 -1.1217 O 0 5 0
- 3.0308 1.4089 0.5651 C 0 0 0
- -1.0936 -0.6214 0.0000 H 0 0 0
- -0.0639 -0.4696 0.0000 H 0 0 0
- 0.2977 2.6553 0.0000 H 0 0 0
- 3.3551 -0.5883 0.0000 H 0 0 0
- 2.4500 3.2867 0.0000 H 0 0 0
- 3.9626 1.6240 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 2 0
- 10 6 1 0
- 11 7 2 0
- 8 11 1 0
- 1 12 1 0
- 1 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18172-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.0185 -0.6094 0.8600 C 0 0 1
- 1.0850 -0.3517 -0.2216 C 0 0 0
- 0.4165 0.7737 1.4253 C 0 0 0
- -1.3584 -0.4460 0.2230 C 0 0 0
- 0.8016 1.1458 -0.0150 C 0 0 2
- 2.4959 -0.7733 0.1935 C 0 0 0
- 0.6916 -0.8662 -1.6077 C 0 0 0
- -1.6945 0.9762 -0.2018 C 0 0 0
- -2.1842 -1.4490 0.0550 C 0 0 0
- -0.4246 1.5725 -0.8264 C 0 0 0
- 0.0803 -1.6475 0.0000 H 0 0 0
- -0.0064 1.7238 0.0000 H 0 0 0
- -0.6209 0.7017 0.0000 H 0 0 0
- 1.5892 1.8248 0.0000 H 0 0 0
- 2.1982 -1.7697 0.0000 H 0 0 0
- 3.4923 -1.0710 0.0000 H 0 0 0
- 2.7936 0.2231 0.0000 H 0 0 0
- -0.1345 -0.2345 0.0000 H 0 0 0
- 0.0599 -1.6923 0.0000 H 0 0 0
- 1.5177 -1.4979 0.0000 H 0 0 0
- -2.0706 1.9457 0.0000 H 0 0 0
- -2.6877 0.6678 0.0000 H 0 0 0
- -3.2100 -1.2780 0.0000 H 0 0 0
- -1.8194 -2.4228 0.0000 H 0 0 0
- 0.1630 2.4305 0.0000 H 0 0 0
- -1.0982 2.3648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 3 5 1 0
- 8 10 1 0
- 1 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-21-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 7 1 V2000
- 0.7650 -0.4826 0.0000 C 0 0 0
- -0.7650 -0.4825 0.0000 C 0 0 0
- 0.0000 0.7244 0.0000 O 0 0 0
- 0.9656 -1.5354 0.0000 H 0 0 0
- 1.7617 -0.0885 0.0000 H 0 0 0
- -1.7616 -0.0883 0.0000 H 0 0 0
- -0.9657 -1.5353 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32341-80-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 52 1 V2000
- -8.0546 -0.2068 0.0505 C 0 0 0
- -8.9939 0.7681 -0.2577 C 0 0 0
- -6.8473 0.1547 0.6287 C 0 0 0
- -8.3205 -1.5145 -0.2091 O 0 0 0
- -8.7236 2.0963 0.0124 C 0 0 0
- -10.5068 0.3191 -0.9812 Cl 0 0 0
- -6.5810 1.4839 0.8971 C 0 0 0
- -7.1773 -2.2603 0.2139 C 0 0 0
- -7.5178 2.4542 0.5896 C 0 0 0
- -7.4089 -3.7262 -0.0478 C 0 0 0
- -7.1802 4.1231 0.9280 Cl 0 0 0
- -6.4626 -4.6228 0.2720 O 0 0 0
- -8.4465 -4.0945 -0.5455 O 0 0 0
- 10.0300 0.2299 0.1987 N 0 0 0
- 8.6895 0.7759 -0.0519 C 0 0 0
- 10.9034 1.3738 0.4932 C 0 0 0
- 9.9397 -0.5610 1.4333 C 0 0 0
- 8.0393 0.0191 -1.2118 C 0 0 0
- 11.9175 1.5460 -0.6395 C 0 0 0
- 10.7923 -1.8237 1.2936 C 0 0 0
- 6.5844 0.4683 -1.3620 C 0 0 0
- 8.7505 0.2965 -2.4198 O 0 0 0
- 12.7061 2.8396 -0.4257 C 0 0 0
- 12.8169 0.4355 -0.6464 O 0 0 0
- 10.8391 -2.5585 2.6348 C 0 0 0
- 10.2191 -2.6782 0.3020 O 0 0 0
- -6.0967 -0.5290 0.0000 H 0 0 0
- -9.4724 2.7821 0.0000 H 0 0 0
- -5.6066 1.7694 0.0000 H 0 0 0
- -6.2065 -2.5576 0.0000 H 0 0 0
- -6.7470 -1.3406 0.0000 H 0 0 0
- -5.7256 -5.3211 0.0000 H 0 0 0
- 9.1713 1.6696 0.0000 H 0 0 0
- 7.8527 1.3510 0.0000 H 0 0 0
- 11.0101 2.3835 0.0000 H 0 0 0
- 9.9600 1.7492 0.0000 H 0 0 0
- 9.0051 -0.1643 0.0000 H 0 0 0
- 9.2941 -1.3446 0.0000 H 0 0 0
- 8.0761 -0.9956 0.0000 H 0 0 0
- 11.3478 2.3864 0.0000 H 0 0 0
- 11.7533 -1.4959 0.0000 H 0 0 0
- 6.8839 1.4384 0.0000 H 0 0 0
- 5.6143 0.7678 0.0000 H 0 0 0
- 6.2849 -0.5018 0.0000 H 0 0 0
- 9.6964 0.6655 0.0000 H 0 0 0
- 13.5730 2.3111 0.0000 H 0 0 0
- 13.2346 3.7065 0.0000 H 0 0 0
- 11.8392 3.3681 0.0000 H 0 0 0
- 13.4559 -0.3535 0.0000 H 0 0 0
- 9.8258 -2.6230 0.0000 H 0 0 0
- 10.9036 -3.5718 0.0000 H 0 0 0
- 11.8524 -2.4940 0.0000 H 0 0 0
- 9.6535 -3.5214 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 14 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 18 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 20 26 1 0
- 7 9 2 0
- 3 27 1 0
- 5 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 12 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 19 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1088-56-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -1.1228 0.7738 0.0030 C 0 0 0
- -1.1462 -0.6982 0.0015 C 0 0 0
- 0.0151 1.4201 0.0030 N 0 0 0
- -2.4274 1.4723 -0.0019 C 0 0 0
- 0.0344 -1.3784 0.0003 N 0 0 0
- -2.3162 -1.3150 0.0011 N 0 0 0
- 1.1786 0.7563 0.0018 C 0 0 0
- -3.5400 0.7021 -0.0073 N 0 0 0
- -2.4967 2.6861 -0.0008 O 0 0 0
- 1.2091 -0.6566 0.0005 C 0 0 0
- 0.0551 -2.8432 -0.0006 C 0 0 0
- -3.4607 -0.6361 0.0018 C 0 0 0
- 2.3933 1.4704 0.0019 C 0 0 0
- 2.4345 -1.3182 -0.0008 C 0 0 0
- -4.5013 -1.2703 0.0013 O 0 0 0
- 3.5772 0.7977 0.0002 C 0 0 0
- 3.6051 -0.5933 -0.0016 C 0 0 0
- 4.8720 1.5687 -0.0002 C 0 0 0
- 4.9289 -1.3134 -0.0029 C 0 0 0
- -4.4685 1.1541 0.0000 H 0 0 0
- -0.9775 -2.8578 0.0000 H 0 0 0
- 0.0697 -3.8758 0.0000 H 0 0 0
- 1.0877 -2.8286 0.0000 H 0 0 0
- 2.3857 2.5030 0.0000 H 0 0 0
- 2.4652 -2.3504 0.0000 H 0 0 0
- 5.4003 0.6814 0.0000 H 0 0 0
- 5.7593 2.0970 0.0000 H 0 0 0
- 4.3437 2.4560 0.0000 H 0 0 0
- 4.4355 -2.2205 0.0000 H 0 0 0
- 5.8360 -1.8068 0.0000 H 0 0 0
- 5.4223 -0.4063 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 12 15 2 0
- 13 16 2 0
- 14 17 2 0
- 16 18 1 0
- 17 19 1 0
- 7 10 2 0
- 8 12 1 0
- 16 17 1 0
- 8 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-03-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.0190 0.0039 -0.6947 C 0 0 0
- -0.3443 -1.1939 -0.5522 C 0 0 0
- -0.3427 1.2004 -0.5444 C 0 0 0
- -2.4905 0.0058 -1.0200 C 0 0 0
- 1.0069 -1.1956 -0.2595 C 0 0 0
- 1.0080 1.1987 -0.2518 C 0 0 0
- -3.2876 -0.0014 0.2589 C 0 0 0
- 1.6830 0.0005 -0.1093 C 0 0 0
- -4.6292 -0.0011 0.2136 O 0 0 0
- -2.7192 -0.0073 1.3251 O 0 0 0
- 3.1297 -0.0013 0.2036 N 0 3 0
- 3.7255 1.0527 0.3360 O 0 0 0
- 3.7244 -1.0569 0.3288 O 0 5 0
- -0.8562 -2.0685 0.0000 H 0 0 0
- -0.8529 2.0760 0.0000 H 0 0 0
- -1.9857 0.8845 0.0000 H 0 0 0
- -3.0021 0.8806 0.0000 H 0 0 0
- 1.5170 -2.0712 0.0000 H 0 0 0
- 1.5199 2.0733 0.0000 H 0 0 0
- -5.6426 -0.0009 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63017-87-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -1.0452 0.4370 -0.0328 C 0 0 0
- -1.4872 -0.9068 0.0524 C 0 0 0
- 0.3335 0.7095 -0.0457 C 0 0 0
- -1.9941 1.4717 -0.0970 C 0 0 0
- -0.5381 -1.9410 0.1220 C 0 0 0
- -2.8659 -1.1790 0.0663 C 0 0 0
- 1.2235 -0.3177 0.0236 C 0 0 0
- 0.8237 2.1316 -0.1364 C 0 0 0
- -3.3211 1.1706 -0.0765 C 0 0 0
- 0.7889 -1.6394 0.1065 C 0 0 0
- -3.7558 -0.1516 -0.0022 C 0 0 0
- 2.6748 -0.0271 0.0093 N 0 3 0
- 3.3501 -0.3455 -0.9530 O 0 0 0
- 3.1936 0.5305 0.9597 O 0 5 0
- -1.6829 2.4681 0.0000 H 0 0 0
- -0.8490 -2.9375 0.0000 H 0 0 0
- -3.2052 -2.1662 0.0000 H 0 0 0
- 1.8106 1.7914 0.0000 H 0 0 0
- 1.1639 3.1185 0.0000 H 0 0 0
- -0.1632 2.4718 0.0000 H 0 0 0
- -4.0235 1.9428 0.0000 H 0 0 0
- 1.4915 -2.4115 0.0000 H 0 0 0
- -4.7793 -0.3570 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 1 0
- 9 11 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-47-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.4783 -0.0001 0.0032 C 0 0 0
- 0.2229 -1.2073 0.0018 C 0 0 0
- 0.2232 1.2075 0.0018 C 0 0 0
- -1.9103 0.0000 0.0000 C 0 0 0
- 1.6026 -1.2000 -0.0009 C 0 0 0
- 1.6024 1.2001 -0.0009 C 0 0 0
- -3.0463 0.0000 -0.0025 N 0 0 0
- 2.2911 -0.0002 -0.0022 C 0 0 0
- -0.2924 -2.1080 0.0000 H 0 0 0
- -0.2920 2.1082 0.0000 H 0 0 0
- 2.1250 -2.0966 0.0000 H 0 0 0
- 2.1249 2.0967 0.0000 H 0 0 0
- 3.3288 -0.0002 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 3 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26541-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.0427 -0.2753 0.2466 C 0 0 0
- -2.4328 -0.3723 0.3203 N 0 0 0
- -0.4363 0.1250 -0.9393 C 0 0 0
- -0.2659 -0.5734 1.3606 C 0 0 0
- -3.0880 0.5686 0.7312 O 0 0 0
- -3.0504 -1.5073 -0.0632 C 0 0 0
- 0.9364 0.2218 -1.0139 C 0 0 0
- 1.1075 -0.4777 1.2899 C 0 0 0
- -3.4079 1.5731 -0.0945 C 0 0 0
- -3.8456 -2.3072 0.9362 C 0 0 0
- -2.9662 -1.8850 -1.2134 O 0 0 0
- 1.7174 -0.0818 0.1006 C 0 0 0
- -4.2186 2.7373 0.4139 C 0 0 0
- -3.0453 1.5460 -1.2511 O 0 0 0
- 3.1951 0.0213 0.0223 C 0 0 0
- 3.9183 0.5343 1.0973 C 0 0 0
- 3.8659 -0.3999 -1.1247 C 0 0 0
- 5.2933 0.6275 1.0190 C 0 0 0
- 5.2407 -0.3021 -1.1918 C 0 0 0
- 5.9532 0.2129 -0.1235 C 0 0 0
- -0.6902 0.8738 0.0000 H 0 0 0
- -0.3828 -1.3554 0.0000 H 0 0 0
- 1.0547 1.0036 0.0000 H 0 0 0
- 1.3582 -1.2276 0.0000 H 0 0 0
- -4.4063 -1.7498 0.0000 H 0 0 0
- -4.4030 -2.8679 0.0000 H 0 0 0
- -3.2849 -2.8646 0.0000 H 0 0 0
- -3.5698 3.1891 0.0000 H 0 0 0
- -4.6704 3.3861 0.0000 H 0 0 0
- -4.8674 2.2855 0.0000 H 0 0 0
- 3.6529 1.2791 0.0000 H 0 0 0
- 3.6742 -1.1670 0.0000 H 0 0 0
- 5.4863 1.3942 0.0000 H 0 0 0
- 5.5107 -1.0452 0.0000 H 0 0 0
- 6.7434 0.2386 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 9 14 2 0
- 12 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 8 12 2 0
- 19 20 1 0
- 3 21 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130933-92-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- 0.3418 0.2239 -0.0917 C 0 0 0
- -0.2244 -1.0821 -0.0701 C 0 0 0
- 1.8053 0.3484 -0.1448 C 0 0 0
- -0.4455 1.3816 -0.0584 C 0 0 0
- -1.6305 -1.2261 -0.0165 C 0 0 0
- 0.6152 -2.2025 -0.1017 C 0 0 0
- 2.5684 -0.8060 -0.1717 C 0 0 0
- 2.4164 1.6826 -0.1683 C 0 0 0
- -1.8359 1.2506 -0.0012 C 0 0 0
- -2.3640 -0.0447 0.0094 C 0 0 0
- -2.6038 -2.3095 0.0227 C 0 0 0
- 1.9683 -2.0586 -0.1504 C 0 0 0
- 4.0762 -0.6964 -0.2243 C 0 0 0
- 3.7213 1.8866 -0.2145 C 0 0 0
- -2.7575 2.3153 0.0366 C 0 0 0
- -3.7826 -0.3386 0.0630 C 0 0 0
- -3.8660 -1.7962 0.0692 C 0 0 0
- 4.6792 0.7189 -0.2465 C 0 0 0
- 4.5393 -0.0388 0.9570 O 0 0 0
- -4.0966 2.0455 0.0915 C 0 0 0
- -4.6327 0.7589 0.0928 C 0 0 0
- 0.0014 2.3313 0.0000 H 0 0 0
- 0.1960 -3.1647 0.0000 H 0 0 0
- 1.7827 2.5193 0.0000 H 0 0 0
- -2.3683 -3.3323 0.0000 H 0 0 0
- 2.5738 -2.9159 0.0000 H 0 0 0
- 4.5931 -1.6099 0.0000 H 0 0 0
- 4.0953 2.8673 0.0000 H 0 0 0
- -2.4181 3.3085 0.0000 H 0 0 0
- -4.7532 -2.3570 0.0000 H 0 0 0
- 5.6956 0.9808 0.0000 H 0 0 0
- -4.7626 2.8567 0.0000 H 0 0 0
- -5.6731 0.6206 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 13 19 1 0
- 15 20 2 0
- 16 21 2 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 16 17 1 0
- 18 19 1 0
- 20 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-82-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.1656 -0.7097 -0.0027 C 0 0 0
- -1.1809 0.2281 -0.0117 C 0 0 0
- 1.5169 -0.1866 0.0058 S 0 0 0
- -0.4703 -2.0582 0.0055 C 0 0 0
- -0.8547 1.6719 -0.0142 N 0 3 0
- -2.5011 -0.1824 -0.0189 C 0 0 0
- 2.3801 -1.4324 0.1443 O 0 0 0
- 1.7714 0.3164 -1.2986 O 0 0 0
- 1.6895 0.5391 1.2153 O 0 0 0
- -1.7901 -2.4686 0.0045 C 0 0 0
- -1.7440 2.4973 0.0926 O 0 0 0
- 0.3029 2.0346 -0.1231 O 0 5 0
- -2.8056 -1.5305 -0.0166 C 0 0 0
- 0.2912 -2.7616 0.0000 H 0 0 0
- -3.2626 0.5210 0.0000 H 0 0 0
- 2.9705 -2.2845 0.0000 H 0 0 0
- -2.0185 -3.4797 0.0000 H 0 0 0
- -3.7955 -1.8382 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 3 9 2 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 10 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
- 13 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21919-05-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.3230 -0.7272 -0.0945 C 0 0 0
- 2.5233 -1.4408 -0.1369 N 0 0 0
- 1.3406 0.6625 -0.0842 C 0 0 0
- 0.1136 -1.4053 -0.0684 C 0 0 0
- 2.5641 -2.2707 1.0746 C 0 0 0
- 2.1667 -2.8585 -0.2810 C 0 0 0
- 0.1555 1.3731 -0.0417 C 0 0 0
- 2.6325 1.3841 -0.1183 N 0 3 0
- -1.0817 -0.6882 -0.0260 C 0 0 0
- -1.0528 0.7076 -0.0098 C 0 0 0
- 2.6503 2.6020 -0.1093 O 0 0 0
- 3.6779 0.7601 -0.1553 O 0 5 0
- -2.3754 -1.4037 0.0010 C 0 0 0
- -2.3186 1.4735 0.0361 N 0 3 0
- -3.0585 -1.5176 1.1572 N 0 0 0
- -2.8229 -1.8892 -1.0196 O 0 0 0
- -2.4055 2.4648 0.7384 O 0 0 0
- -3.2733 1.1125 -0.6285 O 0 5 0
- 0.0984 -2.4416 0.0000 H 0 0 0
- 3.2054 -3.0848 0.0000 H 0 0 0
- 3.5347 -1.9074 0.0000 H 0 0 0
- 1.1438 -3.0248 0.0000 H 0 0 0
- 2.7248 -3.7317 0.0000 H 0 0 0
- 0.1745 2.4093 0.0000 H 0 0 0
- -3.7172 -0.7175 0.0000 H 0 0 0
- -3.4220 -2.4881 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 7 10 2 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 2 0
- 14 18 1 0
- 5 6 1 0
- 9 10 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3234-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.4971 0.4274 -0.1132 C 0 0 0
- -0.4990 -0.4271 -0.1122 C 0 0 0
- 0.2215 1.9060 -0.0203 C 0 0 0
- 2.2786 -0.1972 -0.2235 Br 0 0 0
- -0.2230 -1.9060 -0.0233 C 0 0 0
- -2.2805 0.1973 -0.2222 Br 0 0 0
- 0.7389 2.4104 1.2125 O 0 0 0
- -0.7265 -2.4109 1.2151 O 0 0 0
- -0.3934 2.8517 0.0000 H 0 0 0
- -0.8259 1.4872 0.0000 H 0 0 0
- 0.4009 -2.8458 0.0000 H 0 0 0
- 0.8224 -1.4821 0.0000 H 0 0 0
- 1.5466 3.1978 0.0000 H 0 0 0
- -1.5230 -3.2097 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2980-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.0059 0.8559 0.2100 C 0 0 0
- -1.0744 -0.5444 0.1339 C 0 0 0
- 0.1233 1.5295 0.4511 O 0 0 0
- -2.1870 1.5792 0.0428 C 0 0 0
- 0.1856 -1.3073 0.2387 C 0 0 0
- -2.2962 -1.2024 -0.0492 C 0 0 0
- 1.2757 0.9086 0.1757 C 0 0 0
- -3.3902 0.9276 -0.1620 C 0 0 0
- 1.4027 -0.4830 0.0722 C 0 0 0
- 0.2196 -2.5075 0.4433 O 0 0 0
- -3.4536 -0.4609 -0.2018 C 0 0 0
- -2.3445 -2.5580 -0.0772 O 0 0 0
- 2.4240 1.6884 -0.0177 C 0 0 0
- -4.5248 1.6540 -0.3261 O 0 0 0
- 2.6406 -1.0800 -0.1845 C 0 0 0
- 3.6409 1.0935 -0.2840 C 0 0 0
- 2.3387 3.0443 0.0582 O 0 0 0
- 3.7590 -0.2839 -0.3648 C 0 0 0
- 2.7455 -2.4318 -0.2561 O 0 0 0
- -2.1596 2.6096 0.0000 H 0 0 0
- -4.3690 -0.9348 0.0000 H 0 0 0
- -2.3812 -3.5881 0.0000 H 0 0 0
- -5.3929 2.2098 0.0000 H 0 0 0
- 4.4911 1.6762 0.0000 H 0 0 0
- 2.2740 4.0730 0.0000 H 0 0 0
- 4.6945 -0.7167 0.0000 H 0 0 0
- 2.8252 -3.4595 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 7 9 2 0
- 8 11 1 0
- 16 18 1 0
- 4 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 19 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71400-33-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.3076 0.4013 -0.0064 C 0 0 0
- -0.9826 -0.9516 -0.0048 C 0 0 0
- -0.3215 1.3381 -0.0054 O 0 0 0
- -2.6364 0.7917 -0.0031 C 0 0 0
- 0.3215 -1.3381 -0.0024 O 0 0 0
- -1.9890 -1.9031 -0.0053 C 0 0 0
- 0.9826 0.9516 -0.0030 C 0 0 0
- -3.6372 -0.1632 0.0017 C 0 0 0
- 1.3076 -0.4013 -0.0014 C 0 0 0
- -3.3143 -1.5070 -0.0073 C 0 0 0
- 1.9890 1.9031 -0.0025 C 0 0 0
- -5.0571 0.2551 0.0052 N 0 3 0
- 2.6364 -0.7917 0.0006 C 0 0 0
- 3.3143 1.5070 -0.0004 C 0 0 0
- -5.9394 -0.5846 0.0095 O 0 0 0
- -5.3432 1.4391 0.0039 O 0 5 0
- 3.6372 0.1632 0.0011 C 0 0 0
- 5.0571 -0.2551 0.0037 N 0 3 0
- 5.9394 0.5846 0.0041 O 0 0 0
- 5.3432 -1.4391 0.0055 O 0 5 0
- -2.8811 1.7999 0.0000 H 0 0 0
- -1.7490 -2.9124 0.0000 H 0 0 0
- -4.0676 -2.2203 0.0000 H 0 0 0
- 1.7490 2.9124 0.0000 H 0 0 0
- 2.8811 -1.7999 0.0000 H 0 0 0
- 4.0676 2.2203 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 4 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121153-49-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.8904 1.0574 0.3453 C 0 0 1
- 1.8697 -0.1006 0.2667 C 0 0 2
- 1.4664 0.6339 -0.8915 O 0 0 0
- -0.5726 0.6702 0.4909 C 0 0 2
- 1.2656 -1.4691 0.3329 C 0 0 0
- -0.8959 -0.5632 -0.3471 C 0 0 1
- -1.3976 1.7596 0.0729 O 0 0 0
- 0.0131 -1.6940 0.0512 C 0 0 0
- -2.2554 -0.9450 -0.1278 O 0 0 0
- 1.0848 2.0811 0.0000 H 0 0 0
- 2.9107 -0.0556 0.0000 H 0 0 0
- -1.5947 0.4674 0.0000 H 0 0 0
- 1.9097 -2.2882 0.0000 H 0 0 0
- 0.1231 -0.3456 0.0000 H 0 0 0
- -2.0267 2.5903 0.0000 H 0 0 0
- -0.3520 -2.6699 0.0000 H 0 0 0
- -3.2586 -1.2267 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 4 7 1 0
- 5 8 2 0
- 6 9 1 0
- 2 3 1 0
- 6 8 1 0
- 1 10 1 0
- 2 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 67 1 V2000
- 6.7476 0.3774 -0.2173 C 0 0 0
- 5.5260 -0.5436 -0.1960 C 0 0 0
- 8.0233 -0.4670 -0.1966 C 0 0 0
- 6.7211 1.2304 -1.4872 C 0 0 0
- 4.3153 0.2577 -0.2156 O 0 0 0
- 8.8325 -0.1377 1.0594 C 0 0 0
- 6.7580 2.7120 -1.1072 C 0 0 0
- 3.1140 -0.3410 -0.2020 C 0 0 0
- 10.1614 -0.8951 1.0231 C 0 0 0
- 1.8574 0.4907 -0.2223 C 0 0 0
- 3.0401 -1.5466 -0.1734 O 0 0 0
- 10.9706 -0.5659 2.2791 C 0 0 0
- 0.6359 -0.4303 -0.2010 C 0 0 0
- -0.6398 0.4140 -0.2217 C 0 0 0
- -1.8614 -0.5070 -0.2004 C 0 0 0
- -3.1180 0.3247 -0.2207 C 0 0 0
- -4.3193 -0.2740 -0.2071 O 0 0 0
- -3.0441 1.5303 -0.2493 O 0 0 0
- -5.5300 0.5273 -0.2267 C 0 0 0
- -6.7515 -0.3937 -0.2054 C 0 0 0
- -8.0273 0.4507 -0.2260 C 0 0 0
- -6.7238 -1.3060 -1.4333 C 0 0 0
- -8.8232 0.2036 1.0571 C 0 0 0
- -6.7612 -2.7679 -0.9835 C 0 0 0
- -10.1526 0.9575 0.9857 C 0 0 0
- -10.9486 0.7104 2.2688 C 0 0 0
- 7.7056 0.9115 0.0000 H 0 0 0
- 4.8211 -1.3839 0.0000 H 0 0 0
- 6.2811 -1.3391 0.0000 H 0 0 0
- 7.2484 -1.2432 0.0000 H 0 0 0
- 8.6302 -1.3806 0.0000 H 0 0 0
- 5.7747 1.7847 0.0000 H 0 0 0
- 5.7781 0.6703 0.0000 H 0 0 0
- 9.5721 0.6721 0.0000 H 0 0 0
- 8.2055 0.7622 0.0000 H 0 0 0
- 7.8544 2.6847 0.0000 H 0 0 0
- 6.7853 3.8084 0.0000 H 0 0 0
- 5.6616 2.7393 0.0000 H 0 0 0
- 9.4217 -1.7049 0.0000 H 0 0 0
- 10.7884 -1.7950 0.0000 H 0 0 0
- 2.5623 1.3310 0.0000 H 0 0 0
- 1.1023 1.2861 0.0000 H 0 0 0
- 11.3839 -1.5818 0.0000 H 0 0 0
- 11.9865 -0.1526 0.0000 H 0 0 0
- 10.5573 0.4500 0.0000 H 0 0 0
- -0.0690 -1.2706 0.0000 H 0 0 0
- 1.3910 -1.2257 0.0000 H 0 0 0
- 0.0651 1.2543 0.0000 H 0 0 0
- -1.3949 1.2094 0.0000 H 0 0 0
- -2.5663 -1.3472 0.0000 H 0 0 0
- -1.1063 -1.3025 0.0000 H 0 0 0
- -4.8251 1.3676 0.0000 H 0 0 0
- -6.2851 1.3227 0.0000 H 0 0 0
- -5.7626 -0.8680 0.0000 H 0 0 0
- -7.2306 1.2045 0.0000 H 0 0 0
- -8.5812 1.3973 0.0000 H 0 0 0
- -5.7778 -1.8610 0.0000 H 0 0 0
- -5.7804 -0.7465 0.0000 H 0 0 0
- -9.5845 -0.5859 0.0000 H 0 0 0
- -8.2478 -0.7301 0.0000 H 0 0 0
- -7.8576 -2.7399 0.0000 H 0 0 0
- -6.7892 -3.8643 0.0000 H 0 0 0
- -5.6648 -2.7959 0.0000 H 0 0 0
- -9.3913 1.7470 0.0000 H 0 0 0
- -10.7280 1.8912 0.0000 H 0 0 0
- -11.2738 1.7579 0.0000 H 0 0 0
- -11.9961 0.3852 0.0000 H 0 0 0
- -10.6234 -0.3371 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 25 26 1 0
- 1 27 1 0
- 2 28 1 0
- 2 29 1 0
- 3 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 6 35 1 0
- 7 36 1 0
- 7 37 1 0
- 7 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 12 45 1 0
- 13 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 15 50 1 0
- 15 51 1 0
- 19 52 1 0
- 19 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 22 57 1 0
- 22 58 1 0
- 23 59 1 0
- 23 60 1 0
- 24 61 1 0
- 24 62 1 0
- 24 63 1 0
- 25 64 1 0
- 25 65 1 0
- 26 66 1 0
- 26 67 1 0
- 26 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18699-02-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -1.2380 -0.2624 -0.5168 C 0 0 0
- -0.4759 -1.0572 0.3192 C 0 0 0
- -0.6965 0.8844 -1.0688 C 0 0 0
- -2.6598 -0.6496 -0.8324 C 0 0 0
- 0.8295 -0.7080 0.6058 C 0 0 0
- 0.6078 1.2390 -0.7862 C 0 0 0
- -3.5858 -0.0326 0.1840 C 0 0 0
- 1.3761 0.4426 0.0533 C 0 0 0
- -4.9090 -0.2430 0.1013 O 0 0 0
- -3.1372 0.6514 1.0732 O 0 0 0
- 2.6982 0.7989 0.3413 N 0 0 0
- 3.6969 -0.0773 0.1146 C 0 0 0
- 5.1030 0.2557 0.5422 C 0 0 0
- 3.4639 -1.1338 -0.4337 O 0 0 0
- -0.7386 -1.9971 0.0000 H 0 0 0
- -1.3234 1.6324 0.0000 H 0 0 0
- -3.3778 -1.3105 0.0000 H 0 0 0
- -2.1877 -1.5037 0.0000 H 0 0 0
- 1.4540 -1.4580 0.0000 H 0 0 0
- 0.8671 2.1798 0.0000 H 0 0 0
- -5.8728 -0.3963 0.0000 H 0 0 0
- 2.9192 1.7494 0.0000 H 0 0 0
- 5.3279 -0.6939 0.0000 H 0 0 0
- 6.0526 0.4806 0.0000 H 0 0 0
- 4.8781 1.2053 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 11 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123447-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 56 1 V2000
- -2.4034 -0.1851 -0.3230 C 0 0 0
- -3.3642 -1.1608 -0.0227 N 0 0 0
- -2.7048 1.1776 -0.2171 C 0 0 0
- -1.1341 -0.5790 -0.7255 C 0 0 0
- -4.6015 -0.8203 0.3753 C 0 0 0
- -3.5191 -2.6151 0.0170 C 0 0 0
- -4.0552 1.5704 0.2174 C 0 0 0
- -1.7362 2.1392 -0.5196 C 0 0 0
- -0.1815 0.3839 -1.0232 C 0 0 0
- -4.9817 0.5383 0.5056 C 0 0 0
- -5.2205 -2.4608 0.5622 S 0 0 0
- -3.4887 -3.1703 -1.4084 C 0 0 0
- -4.3660 2.7446 0.3253 O 0 0 0
- -0.4913 1.7421 -0.9200 C 0 0 0
- 1.0934 -0.0060 -1.4269 N 0 0 0
- -6.3368 0.8768 0.9408 C 0 0 0
- 0.4470 2.6688 -1.2130 F 0 0 0
- 1.3915 -1.2621 -0.7280 C 0 0 0
- 2.0267 1.0019 -0.9088 C 0 0 0
- -7.1850 -0.0988 1.3261 O 0 0 0
- -6.6988 2.0381 0.9552 O 0 0 0
- 2.8287 -1.6893 -1.0287 C 0 0 0
- 3.4638 0.5747 -1.2094 C 0 0 0
- 3.7619 -0.6814 -0.5105 N 0 0 0
- 5.1064 -1.0926 -0.9363 C 0 0 0
- 6.1302 -0.5169 0.0079 C 0 0 0
- 6.8502 -1.2006 0.8829 C 0 0 0
- 6.4771 0.7899 0.1037 O 0 0 0
- 7.6538 -0.3301 1.5416 O 0 0 0
- 6.7879 -2.6894 1.1076 C 0 0 0
- 7.4183 0.8991 1.0551 C 0 0 0
- 7.9623 1.9267 1.4104 O 0 0 0
- -0.8880 -1.5637 0.0000 H 0 0 0
- -2.5045 -2.6412 0.0000 H 0 0 0
- -1.9740 3.1259 0.0000 H 0 0 0
- -4.5021 -3.2258 0.0000 H 0 0 0
- -3.4332 -4.1837 0.0000 H 0 0 0
- -2.4753 -3.1148 0.0000 H 0 0 0
- 0.3783 -1.3220 0.0000 H 0 0 0
- 1.2751 -2.2704 0.0000 H 0 0 0
- 2.4605 1.9195 0.0000 H 0 0 0
- 1.1858 1.5702 0.0000 H 0 0 0
- -7.8509 -0.8647 0.0000 H 0 0 0
- 2.3949 -2.6069 0.0000 H 0 0 0
- 3.6697 -2.2576 0.0000 H 0 0 0
- 4.4770 0.6346 0.0000 H 0 0 0
- 3.5802 1.5830 0.0000 H 0 0 0
- 4.5753 -1.9575 0.0000 H 0 0 0
- 5.8101 -1.8240 0.0000 H 0 0 0
- 5.7738 -2.6470 0.0000 H 0 0 0
- 6.7455 -3.7035 0.0000 H 0 0 0
- 7.8020 -2.7318 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 16 21 2 0
- 18 22 1 0
- 19 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 2 0
- 26 28 1 0
- 27 29 1 0
- 27 30 1 0
- 28 31 1 0
- 31 32 2 0
- 6 11 1 0
- 7 10 1 0
- 9 14 1 0
- 23 24 1 0
- 29 31 1 0
- 4 33 1 0
- 6 34 1 0
- 8 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 25 48 1 0
- 25 49 1 0
- 30 50 1 0
- 30 51 1 0
- 30 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57781-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 67 1 V2000
- 3.2005 0.8801 0.5347 C 0 0 2
- 1.8033 0.5985 -0.0080 C 0 0 2
- 3.3091 2.4237 0.6067 C 0 0 0
- 4.2451 0.3262 -0.3998 C 0 0 0
- 3.3517 0.3029 1.8585 O 0 0 0
- 0.9763 1.8145 0.4894 C 0 0 1
- 1.1163 -0.6478 0.5162 C 0 0 0
- 1.8326 0.5784 -1.5376 C 0 0 0
- 1.9226 2.9800 0.1812 C 0 0 0
- 4.7430 -1.0850 -0.2219 C 0 0 0
- 4.6830 1.0132 -1.2911 O 0 0 0
- 4.5270 0.3944 2.5003 C 0 0 0
- -0.3303 1.8072 -0.2826 C 0 0 1
- -0.2641 -0.7226 -0.1554 C 0 0 1
- 5.7374 -1.3790 -1.2383 O 0 0 0
- 4.6985 -0.2465 3.8535 C 0 0 0
- 5.4475 0.9905 1.9932 O 0 0 0
- -1.0909 0.5314 0.1130 C 0 0 2
- -1.1617 3.0363 0.0892 C 0 0 0
- -0.0886 -0.8721 -1.5657 O 0 0 0
- 6.3230 -2.5862 -1.2750 C 0 0 0
- -2.3939 0.4592 -0.6884 C 0 0 2
- -1.3923 0.5796 1.4783 F 0 0 0
- -2.4590 3.0452 -0.7255 C 0 0 2
- 7.3551 -2.8914 -2.3299 C 0 0 0
- 6.0227 -3.4283 -0.4622 O 0 0 0
- -3.1719 1.7264 -0.4913 C 0 0 0
- -3.1555 -0.7748 -0.3435 C 0 0 0
- -2.0251 0.3622 -2.1702 C 0 0 0
- -2.1620 3.1866 -2.0853 F 0 0 0
- -4.4425 1.7440 -0.1127 C 0 0 0
- -4.4226 -0.7811 0.0415 C 0 0 0
- -5.1602 0.4889 0.1583 C 0 0 0
- -5.2836 -2.4169 0.4398 Br 0 0 0
- -6.3359 0.4994 0.4720 O 0 0 0
- 4.2737 2.2541 0.0000 H 0 0 0
- 3.5777 3.3655 0.0000 H 0 0 0
- 0.5528 2.6975 0.0000 H 0 0 0
- 0.9876 -1.6187 0.0000 H 0 0 0
- 2.0466 -0.9538 0.0000 H 0 0 0
- 1.2786 -0.2292 0.0000 H 0 0 0
- 2.6402 0.0244 0.0000 H 0 0 0
- 2.3866 1.3860 0.0000 H 0 0 0
- 2.3763 3.8479 0.0000 H 0 0 0
- 1.1044 3.5182 0.0000 H 0 0 0
- 3.7719 -1.2123 0.0000 H 0 0 0
- 4.6661 -2.0613 0.0000 H 0 0 0
- 0.1265 2.6735 0.0000 H 0 0 0
- -0.9978 -1.3714 0.0000 H 0 0 0
- 3.7524 -0.4997 0.0000 H 0 0 0
- 4.9517 -1.1926 0.0000 H 0 0 0
- 5.6446 0.0067 0.0000 H 0 0 0
- -0.2575 3.4124 0.0000 H 0 0 0
- -1.3502 3.9973 0.0000 H 0 0 0
- 0.6569 -1.5072 0.0000 H 0 0 0
- -3.1335 3.7552 0.0000 H 0 0 0
- 7.0774 -3.8306 0.0000 H 0 0 0
- 8.2943 -3.1691 0.0000 H 0 0 0
- 7.6328 -1.9522 0.0000 H 0 0 0
- -2.6762 -1.6289 0.0000 H 0 0 0
- -2.2742 -0.5849 0.0000 H 0 0 0
- -1.0780 0.1131 0.0000 H 0 0 0
- -1.7760 1.3093 0.0000 H 0 0 0
- -4.9281 2.5945 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 12 16 1 0
- 12 17 2 0
- 13 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 18 22 1 0
- 18 23 1 0
- 19 24 1 0
- 21 25 1 0
- 21 26 2 0
- 22 27 1 0
- 22 28 1 0
- 22 29 1 0
- 24 30 1 0
- 27 31 2 0
- 28 32 2 0
- 31 33 1 0
- 32 34 1 0
- 33 35 2 0
- 6 9 1 0
- 14 18 1 0
- 24 27 1 0
- 32 33 1 0
- 3 36 1 0
- 3 37 1 0
- 6 38 1 0
- 7 39 1 0
- 7 40 1 0
- 8 41 1 0
- 8 42 1 0
- 8 43 1 0
- 9 44 1 0
- 9 45 1 0
- 10 46 1 0
- 10 47 1 0
- 13 48 1 0
- 14 49 1 0
- 16 50 1 0
- 16 51 1 0
- 16 52 1 0
- 19 53 1 0
- 19 54 1 0
- 20 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 25 59 1 0
- 28 60 1 0
- 29 61 1 0
- 29 62 1 0
- 29 63 1 0
- 31 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115314-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.3337 0.8408 -0.3787 C 0 0 0
- -1.3142 0.2174 0.3707 C 0 0 0
- 1.1382 1.4161 0.4005 S 0 0 0
- -0.5056 1.0076 -1.7399 C 0 0 0
- -2.4689 -0.2338 -0.2405 C 0 0 0
- 1.8489 0.2027 0.9829 O 0 0 0
- 1.9728 1.8853 -0.6495 O 0 0 0
- 0.7094 2.1847 1.5161 O 0 0 0
- -1.6581 0.5511 -2.3522 C 0 0 0
- -2.6433 -0.0618 -1.6012 C 0 0 0
- -3.5184 -0.9016 0.5617 N 0 3 0
- 2.2669 -0.6010 -0.1223 C 0 0 0
- -4.5359 -1.2993 0.0231 O 0 0 0
- -3.3645 -1.0535 1.7603 O 0 5 0
- 2.9922 -1.8441 0.3967 C 0 0 1
- 3.4398 -2.7046 -0.7866 C 0 0 0
- 4.3384 -1.8449 -0.0827 O 0 0 0
- -0.9203 -0.5592 0.0000 H 0 0 0
- -0.3355 1.8616 0.0000 H 0 0 0
- -2.0500 1.3287 0.0000 H 0 0 0
- -3.5088 0.0346 0.0000 H 0 0 0
- 1.3964 -0.5768 0.0000 H 0 0 0
- 1.8228 -1.3500 0.0000 H 0 0 0
- 2.2296 -2.2646 0.0000 H 0 0 0
- 2.7086 -3.1776 0.0000 H 0 0 0
- 3.9797 -3.3879 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 15 12 1 0
- 15 16 1 0
- 15 17 1 0
- 9 10 2 0
- 16 17 1 0
- 2 18 1 0
- 4 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 2.3830 0.1955 0.0036 N 0 0 0
- 2.8532 -1.2006 0.0047 C 0 0 0
- 3.4818 0.9716 -0.0017 C 0 0 0
- 1.1567 0.5957 0.0023 N 0 0 0
- 4.3632 -1.0679 -0.0008 C 0 0 0
- 4.6126 0.2565 -0.0042 N 0 0 0
- 3.4508 2.1854 -0.0040 O 0 0 0
- 0.1605 -0.2989 0.0024 C 0 0 0
- 5.1772 -1.9663 -0.0011 O 0 0 0
- -1.1516 0.1294 0.0010 C 0 0 0
- -2.2560 -0.6530 0.0009 O 0 0 0
- -1.6210 1.5293 0.0058 C 0 0 0
- -3.3471 0.1177 -0.0007 C 0 0 0
- -2.9826 1.4666 0.0022 C 0 0 0
- -4.7461 -0.3866 -0.0021 N 0 3 0
- -5.6767 0.3992 -0.0034 O 0 0 0
- -4.9963 -1.7804 -0.0018 O 0 5 0
- 1.8707 -1.4471 0.0000 H 0 0 0
- 3.0213 -2.1995 0.0000 H 0 0 0
- 5.5414 0.6606 0.0000 H 0 0 0
- 0.3698 -1.2900 0.0000 H 0 0 0
- -1.0485 2.3649 0.0000 H 0 0 0
- -3.6167 2.2565 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 8 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 5 6 1 0
- 13 14 2 0
- 2 18 1 0
- 2 19 1 0
- 6 20 1 0
- 8 21 1 0
- 12 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2493-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 0.3966 1.5307 0.0001 O 0 0 0
- -0.5613 0.4702 -0.0006 C 0 0 0
- 1.6235 0.9510 -0.0005 C 0 0 0
- -1.9736 1.0587 0.0001 C 0 0 0
- 2.7648 1.7443 -0.0001 C 0 0 0
- 1.7354 -0.4349 0.0042 C 0 0 0
- -2.9992 -0.0767 -0.0006 C 0 0 0
- 4.0117 1.1600 -0.0003 C 0 0 0
- 2.9780 -1.0270 0.0040 C 0 0 0
- -4.4115 0.5118 0.0001 C 0 0 0
- 4.1287 -0.2328 -0.0009 C 0 0 0
- -5.4370 -0.6236 -0.0007 C 0 0 0
- 5.4620 -0.8628 -0.0011 C 0 0 0
- -6.8493 -0.0351 0.0000 C 0 0 0
- 5.5618 -2.0737 -0.0016 O 0 0 0
- 6.5697 -0.0955 -0.0007 O 0 0 0
- -7.8749 -1.1705 -0.0007 C 0 0 0
- -9.2872 -0.5820 0.0000 C 0 0 0
- -1.0771 -0.4561 0.0000 H 0 0 0
- 0.3008 -0.1470 0.0000 H 0 0 0
- -1.4578 1.9850 0.0000 H 0 0 0
- -2.8356 1.6759 0.0000 H 0 0 0
- 2.6752 2.8007 0.0000 H 0 0 0
- 0.8624 -1.0365 0.0000 H 0 0 0
- -3.5150 -1.0030 0.0000 H 0 0 0
- -2.1372 -0.6939 0.0000 H 0 0 0
- 4.8818 1.7658 0.0000 H 0 0 0
- 3.0624 -2.0838 0.0000 H 0 0 0
- -3.8957 1.4381 0.0000 H 0 0 0
- -5.2736 1.1290 0.0000 H 0 0 0
- -5.9528 -1.5499 0.0000 H 0 0 0
- -4.5749 -1.2408 0.0000 H 0 0 0
- -6.3335 0.8912 0.0000 H 0 0 0
- -7.7113 0.5821 0.0000 H 0 0 0
- 7.4412 0.5082 0.0000 H 0 0 0
- -8.3907 -2.0968 0.0000 H 0 0 0
- -7.0129 -1.7877 0.0000 H 0 0 0
- -8.8794 0.3966 0.0000 H 0 0 0
- -10.2658 -0.1742 0.0000 H 0 0 0
- -9.6950 -1.5606 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 1 0
- 11 8 2 0
- 12 10 1 0
- 13 11 1 0
- 14 12 1 0
- 15 13 2 0
- 16 13 1 0
- 17 14 1 0
- 18 17 1 0
- 9 11 1 0
- 2 19 1 0
- 2 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 12 31 1 0
- 12 32 1 0
- 14 33 1 0
- 14 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 18 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 53 1 V2000
- 0.0108 -0.9058 -1.0630 C 0 0 0
- -1.2377 -0.1636 -0.6611 C 0 0 0
- 1.2216 -0.0846 -0.7018 C 0 0 0
- 0.0652 -2.2263 -0.3389 C 0 0 0
- -1.4233 0.2109 0.6569 C 0 0 0
- -2.1925 0.1464 -1.6124 C 0 0 0
- 2.4247 -0.7109 -0.4335 C 0 0 0
- 1.1283 1.2941 -0.6450 C 0 0 0
- -0.0396 -3.4081 -1.0479 C 0 0 0
- 0.2255 -2.2558 1.0341 C 0 0 0
- -2.5663 0.8914 1.0287 C 0 0 0
- -3.3376 0.8264 -1.2475 C 0 0 0
- 3.5365 0.0387 -0.1021 C 0 0 0
- 2.2359 2.0496 -0.3144 C 0 0 0
- 0.0103 -4.6196 -0.3835 C 0 0 0
- 0.2754 -3.4668 1.6982 C 0 0 0
- -3.5299 1.1993 0.0770 C 0 0 0
- 3.4449 1.4232 -0.0386 C 0 0 0
- 0.1648 -4.6489 0.9896 C 0 0 0
- -4.6872 1.8868 0.4496 N 0 0 0
- 4.5671 2.1843 0.2966 N 0 0 0
- -5.7025 2.2107 -0.5557 C 0 0 0
- -4.8857 2.2840 1.8457 C 0 0 0
- 4.4686 3.6444 0.3631 C 0 0 0
- 5.8426 1.5224 0.5817 C 0 0 0
- -0.8460 -1.4169 0.0000 H 0 0 0
- -0.6912 0.8887 0.0000 H 0 0 0
- -2.6038 -0.7626 0.0000 H 0 0 0
- 2.4812 -1.7070 0.0000 H 0 0 0
- 0.2309 1.7301 0.0000 H 0 0 0
- -1.0370 -3.3845 0.0000 H 0 0 0
- 0.9788 -1.6017 0.0000 H 0 0 0
- -2.1566 1.8011 0.0000 H 0 0 0
- -4.0638 0.1423 0.0000 H 0 0 0
- 4.4323 -0.4004 0.0000 H 0 0 0
- 2.1758 3.0455 0.0000 H 0 0 0
- -0.7448 -5.2716 0.0000 H 0 0 0
- 1.2727 -3.4928 0.0000 H 0 0 0
- 0.7646 -5.4461 0.0000 H 0 0 0
- -5.3993 3.1612 0.0000 H 0 0 0
- -6.6530 2.5139 0.0000 H 0 0 0
- -6.0057 1.2602 0.0000 H 0 0 0
- -3.9933 2.7300 0.0000 H 0 0 0
- -5.3317 3.1764 0.0000 H 0 0 0
- -5.7781 1.8380 0.0000 H 0 0 0
- 5.4640 3.7116 0.0000 H 0 0 0
- 4.4014 4.6398 0.0000 H 0 0 0
- 3.4732 3.5772 0.0000 H 0 0 0
- 5.3831 0.6369 0.0000 H 0 0 0
- 6.7281 1.0629 0.0000 H 0 0 0
- 6.3021 2.4079 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 1 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 19 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 24 48 1 0
- 25 49 1 0
- 25 50 1 0
- 25 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-670-54-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0000 0.6936 0.0026 C 0 0 0
- 0.0000 -0.6936 0.0009 C 0 0 0
- 1.2402 1.4096 0.0020 C 0 0 0
- -1.2401 1.4096 -0.0010 C 0 0 0
- -1.2402 -1.4096 0.0015 C 0 0 0
- 1.2401 -1.4096 -0.0015 C 0 0 0
- 2.2240 1.9776 0.0015 N 0 0 0
- -2.2239 1.9776 -0.0039 N 0 0 0
- -2.2240 -1.9776 0.0020 N 0 0 0
- 2.2239 -1.9776 -0.0034 N 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 3 0
- 4 8 3 0
- 5 9 3 0
- 6 10 3 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104953-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 2.2932 -0.1231 -0.1661 C 0 0 0
- 0.7880 -0.0784 -0.1084 C 0 0 0
- 3.0560 1.1743 0.1090 C 0 0 0
- 3.0129 0.0983 1.0484 O 0 0 0
- 2.8899 -1.0993 -1.1818 C 0 0 0
- 0.0795 -1.2052 0.2703 C 0 0 0
- 0.1211 1.0905 -0.4288 C 0 0 0
- -1.2983 -1.1713 0.3253 C 0 0 0
- -1.2568 1.1385 -0.3781 C 0 0 0
- -1.9782 0.0037 -0.0024 C 0 0 0
- -3.4085 0.0462 0.0524 C 0 0 0
- -4.5432 0.0799 0.0959 N 0 0 0
- 4.0142 1.4916 0.0000 H 0 0 0
- 2.4217 1.9594 0.0000 H 0 0 0
- 2.0287 -1.6257 0.0000 H 0 0 0
- 3.4163 -1.9605 0.0000 H 0 0 0
- 3.7511 -0.5729 0.0000 H 0 0 0
- 0.5567 -2.0946 0.0000 H 0 0 0
- 0.6431 1.9543 0.0000 H 0 0 0
- -1.8133 -2.0394 0.0000 H 0 0 0
- -1.7272 2.0315 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 11 12 3 0
- 3 4 1 0
- 9 10 2 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113600-17-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -2.2774 0.0342 -0.0022 C 0 0 0
- -1.6203 -1.2007 -0.0035 C 0 0 0
- -1.3802 1.1074 -0.0003 C 0 0 0
- -3.6678 0.1788 0.0027 C 0 0 0
- -0.1736 -0.9019 -0.0020 C 0 0 0
- -2.4157 -2.3336 -0.0048 C 0 0 0
- -0.0260 0.5172 0.0001 C 0 0 0
- -1.9253 2.3798 -0.0001 C 0 0 0
- -4.1818 1.4868 0.0008 C 0 0 0
- -4.4401 -0.9953 0.0097 C 0 0 0
- 0.9418 -1.7141 -0.0016 C 0 0 0
- -3.8042 -2.2062 -0.0030 C 0 0 0
- 1.2328 1.0826 0.0017 C 0 0 0
- -3.3103 2.5409 -0.0022 C 0 0 0
- 2.2252 -1.1471 0.0009 C 0 0 0
- 2.3716 0.2642 0.0003 C 0 0 0
- 3.3740 -1.9585 0.0026 C 0 0 0
- 3.6646 0.8226 -0.0003 C 0 0 0
- 4.6077 -1.3831 0.0032 C 0 0 0
- 4.7538 0.0024 -0.0005 C 0 0 0
- 3.8249 2.1641 -0.0011 F 0 0 0
- -1.9752 -3.2850 0.0000 H 0 0 0
- -1.2984 3.2202 0.0000 H 0 0 0
- -5.2171 1.6520 0.0000 H 0 0 0
- -5.4873 -0.9438 0.0000 H 0 0 0
- 0.8302 -2.7566 0.0000 H 0 0 0
- -4.3869 -3.0777 0.0000 H 0 0 0
- 1.3380 2.1257 0.0000 H 0 0 0
- -3.7012 3.5137 0.0000 H 0 0 0
- 3.2805 -3.0027 0.0000 H 0 0 0
- 5.4612 -1.9920 0.0000 H 0 0 0
- 5.7153 0.4205 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 5 7 2 0
- 9 14 2 0
- 10 12 2 0
- 15 16 1 0
- 19 20 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60827-45-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -0.5508 0.0620 -0.1964 C 0 0 0
- -1.8477 0.7415 0.2476 C 0 0 0
- 0.6458 0.8167 0.3863 C 0 0 0
- -0.5361 -1.2881 0.2716 O 0 0 0
- -2.9653 0.0366 -0.2967 O 0 0 0
- 2.1741 0.0159 -0.1369 Cl 0 0 0
- 0.3811 -0.4454 0.0000 H 0 0 0
- -1.1990 1.5812 0.0000 H 0 0 0
- -2.5615 1.5266 0.0000 H 0 0 0
- 1.2945 1.6563 0.0000 H 0 0 0
- -0.0680 1.6018 0.0000 H 0 0 0
- -0.5245 -2.3491 0.0000 H 0 0 0
- -3.8627 -0.5294 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.5360 1.1965 0.0221 C 0 0 0
- -1.2261 -0.0009 0.0020 C 0 0 0
- 0.8466 1.1976 0.0213 C 0 0 0
- -1.2771 2.4777 0.0383 N 0 3 0
- -0.5339 -1.1975 -0.0189 C 0 0 0
- -2.7331 -0.0021 0.0035 C 0 0 0
- 1.5386 0.0013 0.0003 C 0 0 0
- -1.2316 3.2198 -0.9264 O 0 0 0
- -1.9323 2.7898 1.0164 O 0 5 0
- 0.8482 -1.1964 -0.0203 C 0 0 0
- -1.2730 -2.4798 -0.0395 N 0 3 0
- 3.0188 0.0025 -0.0001 N 0 3 0
- -1.2255 -3.2255 0.9224 O 0 0 0
- -1.9286 -2.7892 -1.0182 O 0 5 0
- 3.6286 -1.0517 -0.0186 O 0 0 0
- 3.6270 1.0576 0.0180 O 0 5 0
- 1.3641 2.0957 0.0000 H 0 0 0
- -2.7339 1.0344 0.0000 H 0 0 0
- -3.7696 -0.0029 0.0000 H 0 0 0
- -2.7323 -1.0386 0.0000 H 0 0 0
- 1.3671 -2.0937 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 7 10 1 0
- 3 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-99-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.9856 -0.0008 0.0021 C 0 0 0
- -0.3396 -1.2274 0.0012 C 0 0 0
- -0.2316 1.1576 0.0012 C 0 0 0
- -2.4910 0.0686 -0.0024 C 0 0 0
- 1.0471 -1.2429 -0.0005 C 0 0 0
- 1.0859 1.1048 -0.0004 N 0 0 0
- 1.7339 -0.0439 -0.0012 C 0 0 0
- -0.8802 -2.1119 0.0000 H 0 0 0
- -0.7074 2.0786 0.0000 H 0 0 0
- -2.4433 1.1041 0.0000 H 0 0 0
- -3.5265 0.1163 0.0000 H 0 0 0
- -2.5387 -0.9669 0.0000 H 0 0 0
- 1.5619 -2.1427 0.0000 H 0 0 0
- 2.7705 -0.0473 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 6 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33685-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.7334 -1.2042 0.0018 C 0 0 0
- -0.7333 -1.2042 0.0018 C 0 0 0
- 1.4346 0.0000 0.0009 C 0 0 0
- 1.4115 -2.4424 -0.0031 C 0 0 0
- -1.4345 -0.0001 0.0008 C 0 0 0
- -1.4115 -2.4423 0.0023 C 0 0 0
- 0.7332 1.2045 -0.0001 C 0 0 0
- 2.9162 -0.0001 0.0015 N 0 3 0
- 0.6977 -3.5969 -0.0077 C 0 0 0
- -0.7332 1.2044 -0.0001 C 0 0 0
- -2.9162 -0.0001 0.0003 N 0 3 0
- -0.6977 -3.5969 0.0028 C 0 0 0
- 1.4113 2.4425 -0.0015 C 0 0 0
- 3.5256 -0.0011 -1.0531 O 0 0 0
- 3.5248 0.0010 1.0565 O 0 5 0
- -1.4115 2.4424 -0.0006 C 0 0 0
- -3.5256 0.0005 1.0549 O 0 0 0
- -3.5248 -0.0008 -1.0548 O 0 5 0
- 0.6975 3.5971 -0.0029 C 0 0 0
- -0.6978 3.5970 -0.0011 C 0 0 0
- 2.4565 -2.4699 0.0000 H 0 0 0
- -2.4565 -2.4698 0.0000 H 0 0 0
- 1.2067 -4.5100 0.0000 H 0 0 0
- -1.2067 -4.5100 0.0000 H 0 0 0
- 2.4563 2.4700 0.0000 H 0 0 0
- -2.4565 2.4698 0.0000 H 0 0 0
- 1.2065 4.5102 0.0000 H 0 0 0
- -1.2069 4.5100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 13 19 2 0
- 16 20 2 0
- 7 10 2 0
- 9 12 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 16 26 1 0
- 19 27 1 0
- 20 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-06-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.1252 0.2831 -0.5259 C 0 0 0
- -1.2822 -0.0059 -0.0711 C 0 0 0
- 0.7977 1.1360 0.5332 C 0 0 0
- 0.7974 -1.0378 -0.8493 C 0 0 0
- 0.0464 1.1011 -1.8165 C 0 0 0
- -2.1883 1.0280 0.0720 C 0 0 0
- -1.6687 -1.3059 0.1975 C 0 0 0
- 1.9270 0.6564 1.0961 N 0 0 0
- 0.3381 2.2087 0.8617 O 0 0 0
- 1.9268 -1.3444 -0.1764 N 0 0 0
- 0.3376 -1.7900 -1.6815 O 0 0 0
- 1.2146 2.0878 -1.8669 C 0 0 0
- -3.4794 0.7628 0.4892 C 0 0 0
- -2.9594 -1.5710 0.6146 C 0 0 0
- 2.4472 -0.5251 0.7445 C 0 0 0
- -3.8641 -0.5361 0.7632 C 0 0 0
- 3.4665 -0.8799 1.3021 O 0 0 0
- -0.4222 1.9598 0.0000 H 0 0 0
- -0.8888 0.8141 0.0000 H 0 0 0
- -1.8766 1.9552 0.0000 H 0 0 0
- -1.0075 -2.0268 0.0000 H 0 0 0
- 2.6141 1.3526 0.0000 H 0 0 0
- 2.2805 -2.2565 0.0000 H 0 0 0
- 1.8458 1.3405 0.0000 H 0 0 0
- 1.9619 2.7190 0.0000 H 0 0 0
- 0.5834 2.8351 0.0000 H 0 0 0
- -4.1410 1.4834 0.0000 H 0 0 0
- -3.2717 -2.4980 0.0000 H 0 0 0
- -4.8198 -0.7450 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 13 16 2 0
- 15 17 2 0
- 10 15 1 0
- 14 16 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.0266 0.0284 -0.1725 C 0 0 0
- -1.2883 0.8787 -0.0114 C 0 0 0
- 1.2097 0.9075 0.0262 C 0 0 0
- -0.0292 -1.0170 0.8018 O 0 0 0
- -2.4430 0.0576 -0.1969 O 0 0 0
- 2.3865 0.1416 -0.2395 O 0 0 0
- 0.1058 -2.2362 0.0943 N 0 3 0
- -3.5721 0.8969 -0.0364 N 0 3 0
- 3.4907 1.0053 -0.0398 N 0 3 0
- 0.0878 -2.2387 -1.1236 O 0 0 0
- 0.2399 -3.2823 0.7035 O 0 5 0
- -3.4213 2.0797 0.2118 O 0 0 0
- -4.6942 0.4359 -0.1465 O 0 5 0
- 4.6246 0.5920 -0.2037 O 0 0 0
- 3.3065 2.1616 0.2958 O 0 5 0
- 0.7859 -0.3921 0.0000 H 0 0 0
- -0.6899 1.5708 0.0000 H 0 0 0
- -1.9039 1.5556 0.0000 H 0 0 0
- 1.8006 1.6060 0.0000 H 0 0 0
- 0.5905 1.5811 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 2 0
- 7 11 1 0
- 8 12 2 0
- 8 13 1 0
- 9 14 2 0
- 9 15 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3066-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 2.0898 0.3799 0.2172 O 0 0 0
- 0.9666 1.1186 -0.3314 C 0 0 0
- 3.3503 0.7305 -0.1073 C 0 0 0
- -0.3411 0.5211 0.1916 C 0 0 0
- 4.4870 -0.0171 0.4479 C 0 0 0
- 3.5466 1.6650 -0.8592 O 0 0 0
- -1.5246 1.2996 -0.3865 C 0 0 0
- -0.4659 -1.3630 -0.3557 Br 0 0 0
- 4.2436 -1.1758 1.3803 C 0 0 0
- 5.7314 0.3290 0.1275 C 0 0 0
- -3.2051 0.5318 0.2856 Br 0 0 0
- 1.6717 1.8478 0.0000 H 0 0 0
- 0.3810 1.9468 0.0000 H 0 0 0
- -0.2635 1.5324 0.0000 H 0 0 0
- -0.8195 2.0288 0.0000 H 0 0 0
- -2.1101 2.1279 0.0000 H 0 0 0
- 3.2509 -0.9673 0.0000 H 0 0 0
- 4.0351 -2.1685 0.0000 H 0 0 0
- 5.2363 -1.3843 0.0000 H 0 0 0
- 6.4554 -0.3814 0.0000 H 0 0 0
- 5.9846 1.3112 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106626-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -1.1144 0.5896 0.0290 C 0 0 0
- -2.1484 1.6219 -0.0767 C 0 0 0
- 0.2887 1.0050 0.0820 C 0 0 0
- -1.4783 -0.7539 0.0825 C 0 0 0
- -3.4335 1.2899 -0.1272 N 0 0 0
- -1.7460 2.9753 -0.1229 C 0 0 0
- 0.5795 2.3582 0.0299 C 0 0 0
- 1.3681 0.0051 0.1889 C 0 0 0
- -2.8412 -1.0615 0.0318 C 0 0 0
- -3.8234 0.0211 -0.0841 C 0 0 0
- -0.4317 3.3077 -0.0704 C 0 0 0
- 2.6563 0.3923 0.1048 N 0 0 0
- 1.0956 -1.1685 0.3529 O 0 0 0
- -3.2940 -2.3950 0.0809 C 0 0 0
- -5.1928 -0.3185 -0.1382 C 0 0 0
- 3.7281 -0.6007 0.2109 C 0 0 0
- -4.6272 -2.6507 0.0295 C 0 0 0
- -5.5635 -1.6236 -0.0919 C 0 0 0
- 5.0839 0.0968 0.0836 C 0 0 0
- 6.1587 -0.8989 0.1900 N 0 0 0
- 6.0491 -1.7662 -0.9906 C 0 0 0
- 7.4261 -0.1676 0.0603 C 0 0 0
- -0.7546 -1.5090 0.0000 H 0 0 0
- -2.4701 3.7300 0.0000 H 0 0 0
- 1.5779 2.6699 0.0000 H 0 0 0
- -0.1698 4.3203 0.0000 H 0 0 0
- 2.8923 1.4112 0.0000 H 0 0 0
- -2.6071 -3.1837 0.0000 H 0 0 0
- -5.9198 0.4334 0.0000 H 0 0 0
- 2.9332 -1.2804 0.0000 H 0 0 0
- 4.3111 -1.4690 0.0000 H 0 0 0
- -4.9573 -3.6432 0.0000 H 0 0 0
- -6.5816 -1.8633 0.0000 H 0 0 0
- 5.8788 0.7765 0.0000 H 0 0 0
- 4.5009 0.9651 0.0000 H 0 0 0
- 5.0114 -1.6351 0.0000 H 0 0 0
- 5.9180 -2.8039 0.0000 H 0 0 0
- 7.0868 -1.8973 0.0000 H 0 0 0
- 7.9488 -1.0735 0.0000 H 0 0 0
- 8.3320 0.3551 0.0000 H 0 0 0
- 6.9034 0.7383 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 1 0
- 17 18 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 22 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79305-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.8382 0.3431 -0.0019 C 0 0 0
- 0.4037 0.6782 -0.0018 C 0 0 0
- 2.7957 1.3616 -0.0022 C 0 0 0
- 2.2456 -0.9945 0.0043 C 0 0 0
- -0.5147 -0.3016 -0.0015 C 0 0 0
- 4.1362 1.0443 -0.0018 C 0 0 0
- 3.5875 -1.3037 0.0047 C 0 0 0
- -1.9499 0.0336 -0.0014 C 0 0 0
- 4.5374 -0.2873 -0.0010 C 0 0 0
- -2.9072 -0.9832 -0.0011 C 0 0 0
- -2.3580 1.3703 0.0041 C 0 0 0
- 5.8957 -0.6046 -0.0006 N 0 0 0
- -4.2547 -0.6593 -0.0011 C 0 0 0
- -3.7025 1.6809 0.0041 C 0 0 0
- -4.6496 0.6741 -0.0014 C 0 0 0
- -5.2165 -1.6725 -0.0012 N 0 0 0
- 0.1012 1.6768 0.0000 H 0 0 0
- 2.4954 2.3608 0.0000 H 0 0 0
- 1.5338 -1.7574 0.0000 H 0 0 0
- -0.2122 -1.3002 0.0000 H 0 0 0
- 4.8514 1.8040 0.0000 H 0 0 0
- 3.8922 -2.3016 0.0000 H 0 0 0
- -2.6090 -1.9831 0.0000 H 0 0 0
- -1.6462 2.1332 0.0000 H 0 0 0
- 6.1982 -1.6032 0.0000 H 0 0 0
- 6.6093 0.1566 0.0000 H 0 0 0
- -4.0053 2.6794 0.0000 H 0 0 0
- -5.6647 0.9155 0.0000 H 0 0 0
- -6.2310 -1.4288 0.0000 H 0 0 0
- -4.9203 -2.6730 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 13 16 1 0
- 7 9 1 0
- 14 15 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24325-70-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.8710 -0.3842 0.0071 C 0 0 0
- 1.7236 -1.4910 0.0065 C 0 0 0
- 1.4105 0.9050 0.0039 C 0 0 0
- -0.5905 -0.5753 0.0048 C 0 0 0
- 3.0904 -1.3044 0.0029 C 0 0 0
- 2.7788 1.0761 0.0003 C 0 0 0
- -1.4068 0.4904 0.0053 C 0 0 0
- 3.6173 -0.0251 -0.0002 C 0 0 0
- -2.8683 0.2993 0.0030 C 0 0 0
- 5.0851 0.1669 -0.0036 N 0 3 0
- -3.7209 1.4061 0.0035 C 0 0 0
- -3.4078 -0.9899 -0.0055 C 0 0 0
- 5.5522 1.2918 -0.0063 O 0 0 0
- 5.8257 -0.8001 -0.0036 O 0 5 0
- -5.0877 1.2194 0.0009 C 0 0 0
- -4.7761 -1.1610 -0.0081 C 0 0 0
- -5.6146 -0.0599 -0.0023 C 0 0 0
- -7.1089 -0.2553 -0.0046 C 0 0 0
- 1.3296 -2.4513 0.0000 H 0 0 0
- 0.7828 1.7317 0.0000 H 0 0 0
- -0.9886 -1.5340 0.0000 H 0 0 0
- 3.7251 -2.1258 0.0000 H 0 0 0
- 3.1809 2.0331 0.0000 H 0 0 0
- -1.0087 1.4491 0.0000 H 0 0 0
- -3.3269 2.3664 0.0000 H 0 0 0
- -2.7801 -1.8166 0.0000 H 0 0 0
- -5.7224 2.0407 0.0000 H 0 0 0
- -5.1782 -2.1180 0.0000 H 0 0 0
- -7.2435 0.7740 0.0000 H 0 0 0
- -8.1382 -0.3899 0.0000 H 0 0 0
- -6.9743 -1.2846 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 17 18 1 0
- 6 8 1 0
- 16 17 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38915-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 66 1 V2000
- -2.6800 1.3261 -0.3392 C 0 0 0
- -4.0112 1.7031 -0.6168 C 0 0 0
- -1.7834 2.2714 0.2168 C 0 0 0
- -2.2674 0.0776 -0.5954 N 0 0 0
- -4.3932 3.0233 -0.3233 C 0 0 0
- -4.9087 0.8046 -1.1592 N 0 0 0
- -2.1646 3.5182 0.4884 N 0 0 0
- -0.4531 1.8663 0.4854 C 0 0 0
- -1.0346 -0.3000 -0.3471 C 0 0 0
- -3.4036 3.9382 0.2509 C 0 0 0
- -5.6971 3.4884 -0.5651 C 0 0 0
- -5.4003 -0.0231 -0.0495 C 0 0 0
- -0.0938 0.5865 0.1977 C 0 0 0
- -0.6628 -1.5749 -0.6228 O 0 0 0
- -3.7984 5.2593 0.5408 C 0 0 0
- -6.0151 4.7756 -0.2625 C 0 0 0
- -6.4049 -1.0464 -0.5828 C 0 0 0
- -1.8120 -2.2333 -1.1595 C 0 0 0
- -5.0757 5.6501 0.2835 C 0 0 0
- -6.9170 -1.9084 0.5730 C 0 0 0
- -1.4589 -3.6839 -1.4938 C 0 0 0
- -5.5496 7.2804 0.6459 Cl 0 0 0
- -7.8815 -2.8910 0.0610 N 0 0 0
- -2.6893 -4.3888 -2.0684 C 0 0 0
- -8.3315 -3.6814 1.2145 C 0 0 0
- -9.0472 -2.1318 -0.4111 C 0 0 0
- -2.3362 -5.8395 -2.4027 C 0 0 0
- -7.9112 -5.1407 1.0280 C 0 0 0
- -9.5420 -2.7258 -1.7314 C 0 0 0
- -8.4634 -6.1108 2.4438 Cl 0 0 0
- 11.9254 -0.8090 -0.8816 O 0 0 0
- 20.5461 -0.5884 -0.0846 Cl 0 0 0
- 29.1668 -0.3677 0.7123 Cl 0 0 0
- -5.6957 1.4159 0.0000 H 0 0 0
- 0.2592 2.5632 0.0000 H 0 0 0
- -6.4362 2.8200 0.0000 H 0 0 0
- -5.0576 -0.9588 0.0000 H 0 0 0
- -4.4081 -0.1151 0.0000 H 0 0 0
- 0.8664 0.3200 0.0000 H 0 0 0
- -3.0915 5.9616 0.0000 H 0 0 0
- -6.9701 5.0601 0.0000 H 0 0 0
- -6.7476 -0.1107 0.0000 H 0 0 0
- -7.3971 -0.9544 0.0000 H 0 0 0
- -2.2242 -1.3261 0.0000 H 0 0 0
- -2.7539 -2.5587 0.0000 H 0 0 0
- -6.5743 -2.8441 0.0000 H 0 0 0
- -5.9248 -2.0004 0.0000 H 0 0 0
- -1.0467 -4.5911 0.0000 H 0 0 0
- -0.5170 -3.3585 0.0000 H 0 0 0
- -3.1015 -3.4816 0.0000 H 0 0 0
- -3.6312 -4.7141 0.0000 H 0 0 0
- -9.0433 -2.9840 0.0000 H 0 0 0
- -9.1872 -4.1920 0.0000 H 0 0 0
- -8.4712 -1.3187 0.0000 H 0 0 0
- -9.8372 -1.5244 0.0000 H 0 0 0
- -3.3044 -6.0752 0.0000 H 0 0 0
- -2.1005 -6.8077 0.0000 H 0 0 0
- -1.3680 -5.6038 0.0000 H 0 0 0
- -7.1994 -5.8380 0.0000 H 0 0 0
- -7.0555 -4.6300 0.0000 H 0 0 0
- -10.3076 -2.0880 0.0000 H 0 0 0
- -10.1798 -3.4914 0.0000 H 0 0 0
- -8.7764 -3.3636 0.0000 H 0 0 0
- 10.9289 -0.8090 0.0000 H 0 0 0
- 12.9219 -0.8090 0.0000 H 0 0 0
- 21.5426 -0.5884 0.0000 H 0 0 0
- 30.1633 -0.3677 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 2 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 23 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 28 30 1 0
- 7 10 2 0
- 9 13 1 0
- 16 19 1 0
- 6 34 1 0
- 8 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 15 40 1 0
- 16 41 1 0
- 17 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 20 46 1 0
- 20 47 1 0
- 21 48 1 0
- 21 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 26 54 1 0
- 26 55 1 0
- 27 56 1 0
- 27 57 1 0
- 27 58 1 0
- 28 59 1 0
- 28 60 1 0
- 29 61 1 0
- 29 62 1 0
- 29 63 1 0
- 31 64 1 0
- 31 65 1 0
- 32 66 1 0
- 33 67 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4643-05-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.5733 -0.8094 0.0000 C 0 0 0
- -2.0728 -0.6589 0.0000 C 0 0 0
- 0.1926 0.2553 0.0000 C 0 0 0
- -2.4122 0.7292 0.0000 O 0 0 0
- 1.9199 0.0819 0.0000 Cl 0 0 0
- -0.1208 -1.8131 0.0000 H 0 0 0
- -3.1650 -0.7978 0.0000 H 0 0 0
- -2.0582 -1.7598 0.0000 H 0 0 0
- -0.2599 1.2590 0.0000 H 0 0 0
- -2.6737 1.7987 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92134-96-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -1.4422 0.5098 0.6030 C 0 0 0
- -2.3489 -0.5501 0.1223 N 0 0 0
- -0.1251 0.4448 -0.1728 C 0 0 0
- -2.3386 2.0586 0.1626 S 0 0 0
- -3.5188 -0.1020 -0.6279 C 0 0 0
- -2.1214 -1.7991 0.3508 N 0 0 0
- 0.6784 -0.7732 0.2875 C 0 0 0
- -0.4006 0.3330 -1.5706 O 0 0 0
- -3.9968 1.2927 -0.1269 C 0 0 0
- -2.8943 -2.6446 -0.0631 O 0 0 0
- 2.0122 -0.8168 -0.4606 C 0 0 0
- 0.9230 -0.6792 1.6923 O 0 0 0
- 3.0029 0.1391 0.2071 C 0 0 0
- 2.5352 -2.1461 -0.4249 O 0 0 0
- 4.3315 0.1080 -0.5510 C 0 0 0
- 2.4730 1.4660 0.1852 O 0 0 0
- 5.2568 1.0007 0.0727 O 0 0 0
- -1.0461 -0.4094 0.0000 H 0 0 0
- 0.3709 1.3141 0.0000 H 0 0 0
- -4.5149 -0.2001 0.0000 H 0 0 0
- -3.6523 -1.0939 0.0000 H 0 0 0
- 0.1897 -1.6466 0.0000 H 0 0 0
- -1.3280 -0.0434 0.0000 H 0 0 0
- -4.3852 2.2152 0.0000 H 0 0 0
- -4.9320 0.9360 0.0000 H 0 0 0
- 1.6527 0.1173 0.0000 H 0 0 0
- 1.8573 -0.3202 0.0000 H 0 0 0
- 3.3668 -0.7933 0.0000 H 0 0 0
- 2.9016 -3.0775 0.0000 H 0 0 0
- 4.0517 -0.8530 0.0000 H 0 0 0
- 5.1882 -0.4095 0.0000 H 0 0 0
- 2.1018 2.3955 0.0000 H 0 0 0
- 5.9771 1.6956 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 1 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 5 9 1 0
- 1 18 1 0
- 3 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55965-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -6.1257 0.8883 0.0177 C 0 0 0
- -6.9221 -0.1528 0.3872 C 0 0 0
- -4.6803 0.0951 -0.5121 S 0 0 0
- -6.4755 2.5881 0.0600 Cl 0 0 0
- -6.3940 -1.4212 0.2451 C 0 0 0
- -5.1412 -1.5281 -0.2447 N 0 0 0
- -7.0390 -2.4123 0.5525 O 0 0 0
- -4.3624 -2.7449 -0.4882 C 0 0 0
- 7.7475 1.0369 0.0018 C 0 0 0
- 6.9583 0.0053 0.3680 N 0 0 0
- 9.0087 0.7404 -0.4813 C 0 0 0
- 7.3593 2.1919 0.0892 O 0 0 0
- 7.9291 -1.3656 0.0562 S 0 0 0
- 5.5960 0.0501 0.9050 C 0 0 0
- 9.3471 -0.5747 -0.5460 C 0 0 0
- -7.9359 -0.0210 0.0000 H 0 0 0
- -5.2234 -3.2960 0.0000 H 0 0 0
- -3.8113 -3.6059 0.0000 H 0 0 0
- -3.5014 -2.1938 0.0000 H 0 0 0
- 9.7239 1.4708 0.0000 H 0 0 0
- 5.6296 1.0718 0.0000 H 0 0 0
- 4.5743 0.0837 0.0000 H 0 0 0
- 5.5624 -0.9716 0.0000 H 0 0 0
- 10.2866 -0.9776 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 6 8 1 0
- 9 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 5 6 1 0
- 13 15 1 0
- 2 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 11 20 1 0
- 14 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.4832 -0.8955 0.1895 C 0 0 0
- -0.4966 0.0597 -0.2222 O 0 0 0
- 1.8579 -0.4734 -0.3328 C 0 0 0
- -1.7519 -0.3878 0.2935 C 0 0 0
- 2.1940 0.8114 0.1949 O 0 0 0
- -2.8505 0.5961 -0.1138 C 0 0 0
- -0.3452 -1.5013 0.0000 H 0 0 0
- 0.9431 -1.8130 0.0000 H 0 0 0
- 1.9739 -1.4931 0.0000 H 0 0 0
- 2.8816 -0.5465 0.0000 H 0 0 0
- -2.5535 -1.0287 0.0000 H 0 0 0
- -1.2523 -1.2843 0.0000 H 0 0 0
- 2.4537 1.8043 0.0000 H 0 0 0
- -2.1658 1.3606 0.0000 H 0 0 0
- -3.6150 1.2808 0.0000 H 0 0 0
- -3.5352 -0.1684 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90421-79-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 1.2032 -0.4807 0.0414 C 0 0 0
- -0.1353 0.0840 0.1005 C 0 0 0
- 2.2109 0.5074 -0.0510 C 0 0 0
- 1.6299 -1.8265 0.0675 C 0 0 0
- -0.2951 1.3742 0.0661 N 0 0 0
- -1.2164 -0.7341 0.1909 O 0 0 0
- 1.2833 2.0173 -0.0480 S 0 0 0
- 3.5485 0.1806 -0.1181 C 0 0 0
- 2.9545 -2.1291 -0.0004 C 0 0 0
- -2.3699 0.1085 0.2299 C 0 0 0
- 3.9227 -1.1373 -0.0954 C 0 0 0
- -3.6289 -0.7548 0.3323 C 0 0 0
- -4.8639 0.1474 0.3740 C 0 0 0
- -4.4532 -0.5328 -0.8137 O 0 0 0
- 0.9193 -2.5982 0.0000 H 0 0 0
- 4.2764 0.9360 0.0000 H 0 0 0
- 3.2509 -3.1354 0.0000 H 0 0 0
- -1.6596 0.8804 0.0000 H 0 0 0
- -3.0569 0.9013 0.0000 H 0 0 0
- 4.9395 -1.3952 0.0000 H 0 0 0
- -3.4525 -1.7889 0.0000 H 0 0 0
- -4.6150 1.1664 0.0000 H 0 0 0
- -5.9008 -0.0113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 12 13 1 0
- 12 14 1 0
- 5 7 1 0
- 9 11 2 0
- 13 14 1 0
- 4 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35077-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- 4.4729 0.3244 -0.2961 C 0 0 0
- 5.8587 0.2645 -0.4544 N 0 0 0
- 3.8841 1.4674 0.2355 C 0 0 0
- 3.6841 -0.7567 -0.6754 C 0 0 0
- 6.6121 -0.3963 0.4468 C 0 0 0
- 6.4940 0.9200 -1.6003 C 0 0 0
- 2.5179 1.5305 0.3933 C 0 0 0
- 2.3169 -0.7017 -0.5208 C 0 0 0
- 6.6694 0.0804 1.8753 C 0 0 0
- 7.2439 -1.3747 0.1082 O 0 0 0
- 1.7216 0.4432 0.0184 C 0 0 0
- 0.3664 0.5018 0.1732 N 0 0 0
- -0.3664 -0.5018 -0.1731 N 0 0 0
- -1.7215 -0.4433 -0.0182 C 0 0 0
- -2.5179 -1.5306 -0.3931 C 0 0 0
- -2.3168 0.7016 0.5209 C 0 0 0
- -3.8841 -1.4675 -0.2354 C 0 0 0
- -3.6841 0.7567 0.6754 C 0 0 0
- -4.4729 -0.3244 0.2961 C 0 0 0
- -5.8588 -0.2645 0.4544 N 0 0 0
- -6.6120 0.3964 -0.4469 C 0 0 0
- -6.4942 -0.9199 1.6002 C 0 0 0
- -6.6693 -0.0804 -1.8754 C 0 0 0
- -7.2439 1.3747 -0.1084 O 0 0 0
- 4.4069 2.2819 0.0000 H 0 0 0
- 4.1052 -1.6281 0.0000 H 0 0 0
- 7.1890 0.2464 0.0000 H 0 0 0
- 7.1676 1.6150 0.0000 H 0 0 0
- 5.7990 1.5936 0.0000 H 0 0 0
- 2.1002 2.4035 0.0000 H 0 0 0
- 1.7981 -1.5187 0.0000 H 0 0 0
- 7.6303 -0.0351 0.0000 H 0 0 0
- 6.7849 1.0413 0.0000 H 0 0 0
- 5.7085 0.1959 0.0000 H 0 0 0
- -2.1002 -2.4036 0.0000 H 0 0 0
- -1.7980 1.5186 0.0000 H 0 0 0
- -4.4069 -2.2820 0.0000 H 0 0 0
- -4.1051 1.6281 0.0000 H 0 0 0
- -7.1891 -0.2462 0.0000 H 0 0 0
- -7.1679 -1.6148 0.0000 H 0 0 0
- -5.7993 -1.5936 0.0000 H 0 0 0
- -7.6302 0.0351 0.0000 H 0 0 0
- -6.7848 -1.0413 0.0000 H 0 0 0
- -5.7084 -0.1959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 2 0
- 8 11 2 0
- 18 19 2 0
- 3 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 6 29 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 9 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 22 39 1 0
- 22 40 1 0
- 22 41 1 0
- 23 42 1 0
- 23 43 1 0
- 23 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5296-38-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -1.0103 -1.1039 -0.6618 C 0 0 0
- -2.4323 -1.2100 -1.1493 C 0 0 0
- -0.5956 -1.8516 0.4252 C 0 0 0
- -0.1210 -0.2637 -1.3055 C 0 0 0
- -3.2838 -0.1883 -0.4407 C 0 0 0
- 0.7073 -1.7565 0.8736 C 0 0 0
- 1.1834 -0.1650 -0.8608 C 0 0 0
- -3.4378 1.0756 -0.9784 C 0 0 0
- -3.9154 -0.5169 0.7445 C 0 0 0
- 1.6004 -0.9099 0.2326 C 0 0 0
- -4.2189 2.0130 -0.3283 C 0 0 0
- -4.6963 0.4201 1.3943 C 0 0 0
- 2.8829 -0.8146 0.6719 O 0 0 0
- -4.8457 1.6862 0.8594 C 0 0 0
- 3.5429 0.1232 -0.1807 C 0 0 0
- 4.9993 0.2777 0.2620 C 0 0 0
- 5.7060 1.2817 -0.6509 C 0 0 0
- 5.2372 1.6315 0.6529 O 0 0 0
- -3.2466 -1.6423 0.0000 H 0 0 0
- -2.1764 -2.0957 0.0000 H 0 0 0
- -1.0342 -2.6625 0.0000 H 0 0 0
- -0.4938 0.5795 0.0000 H 0 0 0
- 1.0796 -2.5998 0.0000 H 0 0 0
- 1.6193 0.6473 0.0000 H 0 0 0
- -2.5916 1.4414 0.0000 H 0 0 0
- -4.0969 -1.4208 0.0000 H 0 0 0
- -4.0378 2.9169 0.0000 H 0 0 0
- -5.5432 0.0559 0.0000 H 0 0 0
- -5.6607 2.1171 0.0000 H 0 0 0
- 3.6660 1.0368 0.0000 H 0 0 0
- 2.6846 0.4597 0.0000 H 0 0 0
- 5.4666 -0.5170 0.0000 H 0 0 0
- 6.4549 0.7441 0.0000 H 0 0 0
- 6.2505 2.0256 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 1 0
- 7 10 2 0
- 12 14 1 0
- 17 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31464-26-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -2.2921 -0.9883 -0.1350 C 0 0 0
- -1.6827 -1.5483 0.9844 C 0 0 0
- -1.5371 -0.2670 -1.0552 C 0 0 0
- -3.6596 -1.1552 -0.3376 N 0 0 0
- -0.3305 -1.3904 1.1852 C 0 0 0
- -0.1840 -0.1046 -0.8613 C 0 0 0
- -4.6121 -0.2531 0.3143 C 0 0 0
- -4.1457 -2.2329 -1.2027 C 0 0 0
- 0.4321 -0.6658 0.2624 C 0 0 0
- -4.5784 1.1109 -0.3780 C 0 0 0
- 1.7730 -0.5070 0.4580 N 0 0 0
- -5.5356 2.0174 0.2771 C 0 0 0
- 2.4744 0.1612 -0.3938 N 0 0 0
- -6.2742 2.7169 0.7826 N 0 0 0
- 3.8181 0.3203 -0.1978 C 0 0 0
- 4.5813 1.0437 -1.1185 C 0 0 0
- 4.4340 -0.2346 0.9270 C 0 0 0
- 5.9359 1.2004 -0.9140 C 0 0 0
- 5.7900 -0.0696 1.1183 C 0 0 0
- 6.5401 0.6434 0.1998 C 0 0 0
- -1.9561 -2.3918 0.0000 H 0 0 0
- -1.9156 0.5349 0.0000 H 0 0 0
- 0.0456 -2.1934 0.0000 H 0 0 0
- 0.0862 0.7399 0.0000 H 0 0 0
- -5.4669 -0.0173 0.0000 H 0 0 0
- -5.0478 -1.0253 0.0000 H 0 0 0
- -4.9540 -1.8683 0.0000 H 0 0 0
- -4.5103 -3.0412 0.0000 H 0 0 0
- -3.3374 -2.5975 0.0000 H 0 0 0
- -3.7236 0.8751 0.0000 H 0 0 0
- -4.1427 1.8831 0.0000 H 0 0 0
- 4.2061 1.8471 0.0000 H 0 0 0
- 4.1668 -1.0801 0.0000 H 0 0 0
- 6.2104 2.0435 0.0000 H 0 0 0
- 6.1681 -0.8716 0.0000 H 0 0 0
- 7.4268 0.6502 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 3 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 2 0
- 17 19 1 0
- 18 20 1 0
- 6 9 2 0
- 19 20 2 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-131-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -1.1969 -0.1777 0.6447 C 0 0 0
- -1.3208 -1.2365 -0.2466 C 0 0 0
- -2.2652 0.6876 0.8431 C 0 0 0
- -0.0025 0.0127 1.3440 N 0 0 0
- -2.5046 -1.4250 -0.9318 C 0 0 0
- -0.1852 -2.1614 -0.4609 N 0 3 0
- -3.4465 0.4931 0.1543 C 0 0 0
- -2.1377 1.8172 1.7912 N 0 3 0
- 1.1948 0.1906 0.6462 C 0 0 0
- -3.5664 -0.5615 -0.7318 C 0 0 0
- 0.2276 -2.3681 -1.5880 O 0 0 0
- 0.3365 -2.7158 0.4899 O 0 5 0
- -1.5888 1.6513 2.8658 O 0 0 0
- -2.5815 2.9125 1.4967 O 0 5 0
- 1.3262 1.2396 -0.2548 C 0 0 0
- 2.2588 -0.6780 0.8562 C 0 0 0
- -4.8340 -0.7668 -1.4682 N 0 3 0
- 2.5114 1.4128 -0.9425 C 0 0 0
- 0.1971 2.1705 -0.4780 N 0 3 0
- 3.4408 -0.4990 0.1653 C 0 0 0
- 2.1255 -1.7937 1.8199 N 0 3 0
- -5.7699 -0.0072 -1.2932 O 0 0 0
- -4.9411 -1.6954 -2.2492 O 0 5 0
- 3.5664 0.5434 -0.7350 C 0 0 0
- -0.2107 2.3734 -1.6076 O 0 0 0
- -0.3241 2.7334 0.4680 O 0 5 0
- 1.5750 -1.6108 2.8909 O 0 0 0
- 2.5662 -2.8945 1.5418 O 0 5 0
- 4.8350 0.7322 -1.4739 N 0 3 0
- 5.7653 -0.0327 -1.2921 O 0 0 0
- 4.9487 1.6525 -2.2636 O 0 5 0
- -0.1384 0.8953 0.0000 H 0 0 0
- -2.7363 -2.2874 0.0000 H 0 0 0
- -4.0935 1.1085 0.0000 H 0 0 0
- 2.7514 2.2729 0.0000 H 0 0 0
- 4.0817 -1.1208 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 2 0
- 9 16 1 0
- 10 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 17 22 2 0
- 17 23 1 0
- 18 24 2 0
- 19 25 2 0
- 19 26 1 0
- 21 27 2 0
- 21 28 1 0
- 24 29 1 0
- 29 30 2 0
- 29 31 1 0
- 7 10 2 0
- 20 24 1 0
- 4 32 1 0
- 5 33 1 0
- 7 34 1 0
- 18 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-29964-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- -3.2560 -0.2342 -0.0400 O 0 0 0
- -4.4773 0.3254 0.0705 C 0 0 0
- -2.0668 0.5931 0.0582 C 0 0 0
- -5.6809 -0.5119 -0.0288 C 0 0 0
- -4.5831 1.5224 0.2524 O 0 0 0
- -0.8220 -0.2823 -0.1002 C 0 0 0
- -5.5497 -1.9961 -0.2543 C 0 0 0
- -6.8867 0.0406 0.0803 C 0 0 0
- 0.4311 0.5895 0.0032 C 0 0 0
- 1.6758 -0.2860 -0.1552 C 0 0 0
- 2.9289 0.5858 -0.0518 C 0 0 0
- 4.1737 -0.2896 -0.2102 C 0 0 0
- 5.4268 0.5821 -0.1068 C 0 0 0
- 6.6716 -0.2933 -0.2652 C 0 0 0
- 7.9246 0.5785 -0.1617 C 0 0 0
- 6.6943 -1.3520 0.8391 C 0 0 0
- -1.3060 1.4439 0.0000 H 0 0 0
- -2.8232 1.4478 0.0000 H 0 0 0
- -1.5828 -1.1331 0.0000 H 0 0 0
- -0.0655 -1.1369 0.0000 H 0 0 0
- -6.6866 -2.0966 0.0000 H 0 0 0
- -5.4492 -3.1330 0.0000 H 0 0 0
- -4.4128 -1.8956 0.0000 H 0 0 0
- -6.9938 1.1769 0.0000 H 0 0 0
- -7.8172 -0.6203 0.0000 H 0 0 0
- 1.1919 1.4403 0.0000 H 0 0 0
- -0.3253 1.4442 0.0000 H 0 0 0
- 0.9150 -1.1368 0.0000 H 0 0 0
- 2.4322 -1.1407 0.0000 H 0 0 0
- 3.6897 1.4366 0.0000 H 0 0 0
- 2.1724 1.4404 0.0000 H 0 0 0
- 3.4129 -1.1404 0.0000 H 0 0 0
- 4.9301 -1.1443 0.0000 H 0 0 0
- 6.1876 1.4329 0.0000 H 0 0 0
- 4.6704 1.4368 0.0000 H 0 0 0
- 5.6644 -0.8301 0.0000 H 0 0 0
- 8.5764 -0.3584 0.0000 H 0 0 0
- 8.8615 1.2303 0.0000 H 0 0 0
- 7.2728 1.5154 0.0000 H 0 0 0
- 5.5532 -1.3765 0.0000 H 0 0 0
- 6.7188 -2.4931 0.0000 H 0 0 0
- 7.8354 -1.3275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 3 17 1 0
- 3 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 16 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17573-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.3058 -0.2419 0.0466 C 0 0 0
- -1.6791 0.0573 -0.0017 C 0 0 0
- 0.6365 0.8085 0.0901 C 0 0 0
- 0.1184 -1.5907 0.0454 C 0 0 0
- -2.1024 1.4050 -0.0086 C 0 0 0
- -2.6237 -0.9929 -0.0433 C 0 0 0
- 2.0055 0.4850 0.1405 C 0 0 0
- 0.1869 2.1472 0.0816 C 0 0 0
- 1.4880 -1.8748 0.0933 C 0 0 0
- -0.8498 -2.6220 -0.0032 C 0 0 0
- -1.1348 2.4372 0.0323 C 0 0 0
- -3.4720 1.6815 -0.0563 C 0 0 0
- -2.1715 -2.3346 -0.0378 C 0 0 0
- -3.9834 -0.6748 -0.0900 C 0 0 0
- 2.4105 -0.8536 0.1431 C 0 0 0
- 3.0275 1.5457 0.1915 C 0 0 0
- -4.3864 0.6471 -0.0956 C 0 0 0
- 3.8834 -1.1723 0.1972 C 0 0 0
- 4.2817 1.2639 -0.1434 C 0 0 0
- 4.6705 -0.1208 -0.5817 C 0 0 0
- 0.8913 2.9321 0.0000 H 0 0 0
- 1.8155 -2.8772 0.0000 H 0 0 0
- -0.5367 -3.6290 0.0000 H 0 0 0
- -1.4473 3.4444 0.0000 H 0 0 0
- -3.8076 2.6813 0.0000 H 0 0 0
- -2.8747 -3.1205 0.0000 H 0 0 0
- -4.7041 -1.4447 0.0000 H 0 0 0
- 2.7244 2.5558 0.0000 H 0 0 0
- -5.4169 0.8711 0.0000 H 0 0 0
- 3.5156 -2.1607 0.0000 H 0 0 0
- 4.8092 -1.6773 0.0000 H 0 0 0
- 5.0075 2.0290 0.0000 H 0 0 0
- 5.3580 -0.9205 0.0000 H 0 0 0
- 5.6000 0.3773 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 19 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7696-62-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.0513 -0.7693 0.0028 C 0 0 0
- 0.9323 -1.7589 0.0007 C 0 0 0
- 0.3043 0.5803 0.0031 C 0 0 0
- -1.3591 -1.1206 -0.0013 O 0 0 0
- 2.2502 -1.4152 -0.0009 C 0 0 0
- 1.6167 0.9430 0.0015 C 0 0 0
- -2.1128 0.0935 0.0022 C 0 0 0
- 2.6199 -0.0519 -0.0005 C 0 0 0
- -3.6074 -0.2341 -0.0022 C 0 0 0
- 3.9071 0.2938 -0.0017 N 0 0 0
- -4.4144 1.0657 0.0015 C 0 0 0
- 4.2217 1.4705 -0.0013 O 0 0 0
- -5.9089 0.7381 -0.0028 C 0 0 0
- 0.6565 -2.7686 0.0000 H 0 0 0
- -0.4403 1.3160 0.0000 H 0 0 0
- 2.9868 -2.1589 0.0000 H 0 0 0
- 1.8816 1.9557 0.0000 H 0 0 0
- -1.1668 0.5415 0.0000 H 0 0 0
- -2.4510 1.0841 0.0000 H 0 0 0
- -4.5534 -0.6822 0.0000 H 0 0 0
- -3.2691 -1.2247 0.0000 H 0 0 0
- -3.4684 1.5138 0.0000 H 0 0 0
- -4.7527 2.0563 0.0000 H 0 0 0
- -6.1330 1.7606 0.0000 H 0 0 0
- -6.9314 0.5140 0.0000 H 0 0 0
- -5.6848 -0.2844 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 1 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
- 11 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5447-99-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.1253 -0.3114 -0.3127 C 0 0 0
- -1.4253 0.2348 0.2809 C 0 0 0
- 0.9805 0.5897 0.0212 N 0 3 0
- 0.1557 -1.6997 0.2657 C 0 0 0
- -1.7063 1.6231 -0.2975 C 0 0 0
- -2.5039 -0.6441 -0.0449 O 0 0 0
- 1.6224 1.1213 -0.8670 O 0 0 0
- 1.2580 0.8072 1.1871 O 0 5 0
- 1.4558 -2.2459 -0.3279 C 0 0 0
- -0.9434 -0.9816 0.0000 H 0 0 0
- -0.6072 0.9050 0.0000 H 0 0 0
- -0.9019 -1.7003 0.0000 H 0 0 0
- -0.0529 -2.7365 0.0000 H 0 0 0
- -0.6697 1.8329 0.0000 H 0 0 0
- -1.9161 2.6597 0.0000 H 0 0 0
- -2.7429 1.4133 0.0000 H 0 0 0
- -3.3238 -1.3122 0.0000 H 0 0 0
- 1.0462 -3.2209 0.0000 H 0 0 0
- 2.4308 -2.6555 0.0000 H 0 0 0
- 1.8654 -1.2709 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 1 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7665-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 1.7453 0.0168 0.0438 C 0 0 0
- 0.5349 0.2149 -0.6894 O 0 0 0
- 1.6617 0.7623 1.3773 C 0 0 0
- 1.9438 -1.4774 0.3064 C 0 0 0
- 2.9265 0.5533 -0.7672 C 0 0 0
- -0.5255 -0.3037 0.1160 C 0 0 0
- -1.8571 -0.1218 -0.6152 C 0 0 0
- -2.9924 -0.6771 0.2471 C 0 0 0
- -2.7135 0.7216 0.1577 O 0 0 0
- 2.6037 0.8679 0.0000 H 0 0 0
- 1.5561 1.7043 0.0000 H 0 0 0
- 0.7197 0.6567 0.0000 H 0 0 0
- 1.0042 -1.6022 0.0000 H 0 0 0
- 2.0686 -2.4170 0.0000 H 0 0 0
- 2.8834 -1.3526 0.0000 H 0 0 0
- 3.3185 -0.3097 0.0000 H 0 0 0
- 3.7895 0.9453 0.0000 H 0 0 0
- 2.5345 1.4163 0.0000 H 0 0 0
- -0.9484 -1.1520 0.0000 H 0 0 0
- 0.1422 -0.9765 0.0000 H 0 0 0
- -1.7065 -1.0576 0.0000 H 0 0 0
- -3.9401 -0.6965 0.0000 H 0 0 0
- -2.7692 -1.5983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 8 9 1 0
- 3 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74339-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 47 1 V2000
- 0.5614 0.3191 0.0492 C 0 0 0
- -0.7331 0.8312 0.1076 C 0 0 0
- 1.5454 1.3839 -0.0208 C 0 0 0
- 0.8743 -1.0372 0.0622 C 0 0 0
- -0.6084 2.2993 0.0744 C 0 0 0
- -1.7673 -0.1077 0.1801 C 0 0 0
- 0.7645 2.6381 -0.0025 C 0 0 0
- 2.8607 1.0315 -0.0830 C 0 0 0
- 2.2964 -1.3819 -0.0063 C 0 0 0
- -0.1806 -1.9502 0.1398 C 0 0 0
- -1.5589 3.3190 0.1056 C 0 0 0
- -1.4681 -1.4818 0.1916 C 0 0 0
- -3.1758 0.3231 0.2447 C 0 0 0
- 1.1388 3.9777 -0.0449 C 0 0 0
- 3.2467 -0.3315 -0.0784 C 0 0 0
- 2.7256 -2.7091 -0.0007 C 0 0 0
- -1.1643 4.6391 0.0623 C 0 0 0
- -2.6059 -2.4696 0.2748 C 0 0 2
- -4.1388 -0.5349 -0.0683 C 0 0 0
- 0.1795 4.9684 -0.0128 C 0 0 0
- 4.6121 -0.6632 -0.1411 C 0 0 0
- 4.0602 -2.9929 -0.0625 C 0 0 0
- -3.8122 -1.9388 -0.4956 C 0 0 1
- -2.9648 -2.6685 1.6436 O 0 0 0
- 4.9981 -1.9696 -0.1390 C 0 0 0
- -3.5284 -1.9566 -1.8960 O 0 0 0
- 3.5947 1.7760 0.0000 H 0 0 0
- 0.0089 -2.9784 0.0000 H 0 0 0
- -2.5769 3.0807 0.0000 H 0 0 0
- -3.3994 1.3444 0.0000 H 0 0 0
- 2.1522 4.2348 0.0000 H 0 0 0
- 2.0255 -3.4855 0.0000 H 0 0 0
- -1.8848 5.3967 0.0000 H 0 0 0
- -2.0065 -3.3262 0.0000 H 0 0 0
- -5.1354 -0.2187 0.0000 H 0 0 0
- 0.4690 5.9730 0.0000 H 0 0 0
- 5.3331 0.0940 0.0000 H 0 0 0
- 4.3788 -3.9887 0.0000 H 0 0 0
- -4.6169 -2.6063 0.0000 H 0 0 0
- -3.8793 -3.1753 0.0000 H 0 0 0
- 6.0167 -2.2052 0.0000 H 0 0 0
- -2.4849 -2.0220 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 1 0
- 18 24 1 0
- 21 25 2 0
- 23 26 1 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 20 1 0
- 19 23 1 0
- 22 25 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 24 40 1 0
- 25 41 1 0
- 26 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117467-28-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 72 1 V2000
- 0.8839 -0.7072 -1.0473 N 0 0 0
- -0.1528 -1.2695 -1.9261 C 0 0 1
- 1.6612 0.4492 -1.1969 C 0 0 0
- 0.5626 -1.5973 -0.1064 C 0 0 0
- -0.7355 -2.0275 -0.7497 C 0 0 1
- -1.1799 0.1280 -2.4458 S 0 0 0
- 1.2627 1.3822 -2.1036 C 0 0 0
- 2.8338 0.6420 -0.4232 C 0 0 0
- 1.1207 -1.9427 0.9138 O 0 0 0
- -1.8432 -1.2602 -0.1748 N 0 0 0
- 0.1082 1.2521 -3.0384 C 0 0 0
- 2.0051 2.5745 -2.1645 C 0 0 0
- 4.0467 0.6047 -1.0149 O 0 0 0
- 2.7468 0.8411 0.7743 O 0 0 0
- -2.8677 -1.9003 0.4228 C 0 0 0
- 2.0165 3.4229 -1.1028 C 0 0 0
- 5.0144 0.8298 0.0122 C 0 0 0
- -3.9881 -1.1241 1.0043 C 0 0 0
- -2.8726 -3.1138 0.4848 O 0 0 0
- 1.1624 3.1859 0.0026 C 0 0 0
- 5.4125 -0.4417 0.5892 O 0 0 0
- -5.2267 -0.9158 0.2239 C 0 0 0
- -3.8819 -0.6253 2.2032 N 0 0 0
- 1.0644 3.8647 1.2132 C 0 0 0
- -0.0955 1.9365 0.2283 S 0 0 0
- 6.4497 -1.1183 0.0715 C 0 0 0
- -5.3927 -1.5282 -0.9896 C 0 0 0
- -6.1974 -0.1343 0.6951 N 0 0 0
- -2.6603 -0.7363 2.9106 O 0 0 0
- 0.1794 3.4362 2.0779 N 0 0 0
- 1.9449 5.0491 1.5183 C 0 0 0
- -0.5968 2.4049 1.8234 C 0 0 0
- 6.8629 -2.4381 0.6703 C 0 0 0
- 7.0522 -0.6693 -0.8747 O 0 0 0
- -7.0141 -0.9293 -1.4465 S 0 0 0
- -7.3086 0.0619 0.0111 C 0 0 0
- -2.8566 -0.1019 4.1759 C 0 0 0
- 5.6971 -3.4251 0.5829 C 0 0 0
- 8.0615 -2.9950 -0.1004 C 0 0 0
- 7.2495 -2.2340 2.1366 C 0 0 0
- -8.4128 0.8312 0.3376 N 0 0 0
- 0.4365 -1.9604 0.0000 H 0 0 0
- -0.8648 -2.9263 0.0000 H 0 0 0
- -1.8217 -0.3524 0.0000 H 0 0 0
- 0.2972 2.1403 0.0000 H 0 0 0
- -0.6746 1.7123 0.0000 H 0 0 0
- 2.8765 2.3190 0.0000 H 0 0 0
- 2.5709 4.1421 0.0000 H 0 0 0
- 5.8875 1.0794 0.0000 H 0 0 0
- 4.7867 1.7088 0.0000 H 0 0 0
- -4.9765 -2.3353 0.0000 H 0 0 0
- 2.6736 4.5073 0.0000 H 0 0 0
- 2.4867 5.7778 0.0000 H 0 0 0
- 1.2162 5.5909 0.0000 H 0 0 0
- -1.5014 2.3259 0.0000 H 0 0 0
- -1.9891 0.1665 0.0000 H 0 0 0
- -3.1250 0.7656 0.0000 H 0 0 0
- -3.7241 -0.3703 0.0000 H 0 0 0
- 5.1104 -2.7321 0.0000 H 0 0 0
- 5.0041 -4.0118 0.0000 H 0 0 0
- 6.2838 -4.1181 0.0000 H 0 0 0
- 7.6789 -3.8185 0.0000 H 0 0 0
- 8.8850 -3.3776 0.0000 H 0 0 0
- 8.4441 -2.1715 0.0000 H 0 0 0
- 7.6734 -3.0370 0.0000 H 0 0 0
- 8.0525 -1.8101 0.0000 H 0 0 0
- 6.8256 -1.4310 0.0000 H 0 0 0
- -8.3358 1.7360 0.0000 H 0 0 0
- -9.2349 0.4455 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 2 0
- 10 15 1 0
- 12 16 2 0
- 13 17 1 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 2 0
- 20 24 2 0
- 20 25 1 0
- 21 26 1 0
- 22 27 2 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 24 31 1 0
- 25 32 1 0
- 26 33 1 0
- 26 34 2 0
- 27 35 1 0
- 28 36 2 0
- 29 37 1 0
- 33 38 1 0
- 33 39 1 0
- 33 40 1 0
- 36 41 1 0
- 4 5 1 0
- 7 11 1 0
- 30 32 2 0
- 35 36 1 0
- 2 42 1 0
- 5 43 1 0
- 10 44 1 0
- 11 45 1 0
- 11 46 1 0
- 12 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 27 51 1 0
- 31 52 1 0
- 31 53 1 0
- 31 54 1 0
- 32 55 1 0
- 37 56 1 0
- 37 57 1 0
- 37 58 1 0
- 38 59 1 0
- 38 60 1 0
- 38 61 1 0
- 39 62 1 0
- 39 63 1 0
- 39 64 1 0
- 40 65 1 0
- 40 66 1 0
- 40 67 1 0
- 41 68 1 0
- 41 69 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-797-63-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 54 1 V2000
- 1.9323 0.1153 -0.2052 C 0 0 1
- 1.2611 -1.2666 0.0097 C 0 0 2
- 3.4076 -0.1664 0.0635 C 0 0 2
- 1.5811 0.5436 -1.6190 C 0 0 0
- 1.3966 1.1240 0.8129 C 0 0 0
- -0.2376 -1.0347 0.1115 C 0 0 1
- 1.9409 -1.7459 1.2973 C 0 0 0
- 3.4226 -1.3336 1.0818 C 0 0 0
- 4.0571 1.0220 0.6402 C 0 0 0
- 4.0656 -0.5545 -1.1442 O 0 0 0
- 0.0648 0.7773 -1.6469 C 0 0 0
- 1.8512 2.5320 0.4235 C 0 0 0
- -0.7254 -0.4577 -1.2180 C 0 0 2
- -0.9172 -2.3590 0.4440 C 0 0 0
- 4.5751 1.9699 1.1001 C 0 0 0
- -2.2004 -0.0490 -1.0970 C 0 0 0
- -2.3603 -2.4035 -0.0424 C 0 0 0
- -2.8905 -0.9944 -0.1489 C 0 0 0
- -2.2869 1.3790 -0.5538 C 0 0 0
- -3.9297 -0.6054 0.5820 C 0 0 0
- -3.7617 1.7647 -0.4004 C 0 0 0
- -4.4371 0.7629 0.5023 C 0 0 0
- -5.4009 1.0925 1.1615 O 0 0 0
- 0.8575 -2.2661 0.0000 H 0 0 0
- 2.5710 0.9702 0.0000 H 0 0 0
- 1.4446 1.6128 0.0000 H 0 0 0
- 0.4886 1.7048 0.0000 H 0 0 0
- 0.6042 0.3932 0.0000 H 0 0 0
- 0.2898 -0.0946 0.0000 H 0 0 0
- 1.1364 -2.4633 0.0000 H 0 0 0
- 2.4575 -2.6919 0.0000 H 0 0 0
- 3.6211 -2.3931 0.0000 H 0 0 0
- 4.4952 -1.2270 0.0000 H 0 0 0
- 4.9940 -1.1021 0.0000 H 0 0 0
- 0.3748 1.8097 0.0000 H 0 0 0
- -0.9148 1.2271 0.0000 H 0 0 0
- 2.8770 2.2008 0.0000 H 0 0 0
- 2.1824 3.5578 0.0000 H 0 0 0
- 0.8254 2.8632 0.0000 H 0 0 0
- -1.3067 -1.3654 0.0000 H 0 0 0
- -1.0649 -3.4267 0.0000 H 0 0 0
- 0.1107 -2.6835 0.0000 H 0 0 0
- 5.0920 2.9158 0.0000 H 0 0 0
- -3.2348 0.2541 0.0000 H 0 0 0
- -3.4046 -2.6704 0.0000 H 0 0 0
- -2.2093 -3.4708 0.0000 H 0 0 0
- -1.2101 1.3306 0.0000 H 0 0 0
- -2.1254 2.4447 0.0000 H 0 0 0
- -4.6931 -1.3664 0.0000 H 0 0 0
- -3.3737 2.7703 0.0000 H 0 0 0
- -4.7174 2.2631 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 9 15 3 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 1 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 2 0
- 7 8 1 0
- 11 13 1 0
- 17 18 1 0
- 21 22 1 0
- 2 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 19 47 1 0
- 19 48 1 0
- 20 49 1 0
- 21 50 1 0
- 21 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6281-32-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -2.1090 -1.3387 0.0002 C 0 0 0
- -3.4595 -0.8718 0.0011 O 0 0 0
- -1.1700 -0.1600 0.0011 C 0 0 0
- 0.2249 -0.3466 0.0004 C 0 0 0
- -1.6492 1.1193 -0.0032 C 0 0 0
- 1.0702 0.7909 0.0013 C 0 0 0
- 0.7910 -1.6318 -0.0007 C 0 0 0
- -0.7627 2.1936 -0.0022 C 0 0 0
- 0.5364 2.0162 0.0023 N 0 0 0
- 2.4641 0.6065 0.0007 C 0 0 0
- 2.1453 -1.7704 -0.0009 C 0 0 0
- 2.9785 -0.6532 -0.0008 C 0 0 0
- -2.5600 -2.2817 0.0000 H 0 0 0
- -1.2231 -1.8934 0.0000 H 0 0 0
- -4.4474 -0.5303 0.0000 H 0 0 0
- -2.6801 1.2918 0.0000 H 0 0 0
- 0.1761 -2.4771 0.0000 H 0 0 0
- -1.1432 3.1671 0.0000 H 0 0 0
- 3.1028 1.4340 0.0000 H 0 0 0
- 2.5658 -2.7274 0.0000 H 0 0 0
- 4.0154 -0.7851 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 2 0
- 10 6 1 0
- 11 7 2 0
- 12 10 2 0
- 8 9 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-580-16-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.2916 0.6426 -0.0028 C 0 0 0
- -0.5674 -0.7477 -0.0005 C 0 0 0
- 1.0398 1.0868 -0.0024 C 0 0 0
- -1.3665 1.5515 0.0004 C 0 0 0
- 0.5041 -1.6589 0.0017 C 0 0 0
- -1.8341 -1.1741 -0.0009 N 0 0 0
- 2.0554 0.1733 0.0003 C 0 0 0
- -2.6363 1.0480 0.0056 C 0 0 0
- 1.7834 -1.1984 0.0017 C 0 0 0
- -2.8375 -0.3303 -0.0033 C 0 0 0
- 3.3448 0.6024 0.0002 O 0 0 0
- 1.2507 2.0997 0.0000 H 0 0 0
- -1.1994 2.5725 0.0000 H 0 0 0
- 0.3193 -2.6768 0.0000 H 0 0 0
- -3.4478 1.6898 0.0000 H 0 0 0
- 2.5676 -1.8732 0.0000 H 0 0 0
- -3.8046 -0.6980 0.0000 H 0 0 0
- 4.3265 0.9291 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2498-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.0098 -0.0040 -0.0022 C 0 0 0
- -1.4586 -0.2538 -0.0015 C 0 0 0
- 0.4629 1.3815 -0.0003 C 0 0 0
- 0.8930 -1.0541 0.0012 C 0 0 0
- -2.3471 0.8417 0.0009 C 0 0 0
- -1.9624 -1.5556 -0.0029 C 0 0 0
- 1.8261 1.6541 -0.0003 C 0 0 0
- -0.5143 2.4691 0.0022 C 0 0 0
- 2.2653 -0.7861 0.0005 C 0 0 0
- -1.8352 2.2085 0.0022 C 0 0 0
- -3.7284 0.6015 0.0015 C 0 0 0
- -3.3239 -1.7590 -0.0018 C 0 0 0
- 2.7417 0.5989 -0.0022 C 0 0 0
- 3.2123 -1.8295 0.0045 C 0 0 0
- -4.1980 -0.6796 -0.0003 C 0 0 0
- 4.1311 0.8378 -0.0023 C 0 0 0
- 4.5381 -1.5314 0.0043 C 0 0 0
- -5.6847 -0.9266 0.0004 C 0 0 0
- 4.9919 -0.2134 -0.0041 C 0 0 0
- 0.5495 -2.0444 0.0000 H 0 0 0
- -1.3074 -2.3740 0.0000 H 0 0 0
- 2.1652 2.6460 0.0000 H 0 0 0
- -0.1826 3.4635 0.0000 H 0 0 0
- -2.5134 3.0078 0.0000 H 0 0 0
- -4.4003 1.4061 0.0000 H 0 0 0
- -3.7038 -2.7360 0.0000 H 0 0 0
- 2.8962 -2.8289 0.0000 H 0 0 0
- 4.4976 1.8199 0.0000 H 0 0 0
- 5.2373 -2.3124 0.0000 H 0 0 0
- -5.8565 0.1075 0.0000 H 0 0 0
- -6.7188 -1.0984 0.0000 H 0 0 0
- -5.5129 -1.9607 0.0000 H 0 0 0
- 6.0237 -0.0285 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3244-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.7372 0.4522 -0.0023 C 0 0 0
- -0.7373 0.4520 -0.0010 C 0 0 0
- 1.1350 1.7973 -0.0006 C 0 0 0
- 1.6960 -0.5583 0.0004 C 0 0 0
- -1.1353 1.7974 0.0014 C 0 0 0
- -1.6956 -0.5583 -0.0016 C 0 0 0
- -0.0001 2.5881 0.0016 N 0 0 0
- 2.4919 2.1068 -0.0010 C 0 0 0
- 3.0349 -0.2320 -0.0020 C 0 0 0
- -2.4917 2.1068 0.0027 C 0 0 0
- -3.0350 -0.2319 0.0001 C 0 0 0
- 3.4298 1.0971 -0.0029 C 0 0 0
- 4.0552 -1.3044 0.0008 N 0 3 0
- -3.4299 1.0968 0.0016 C 0 0 0
- -4.0552 -1.3043 -0.0006 N 0 3 0
- 5.2392 -1.0185 -0.0012 O 0 0 0
- 3.7108 -2.4726 0.0053 O 0 5 0
- -5.2392 -1.0185 0.0009 O 0 0 0
- -3.7108 -2.4726 -0.0027 O 0 5 0
- 1.4024 -1.5556 0.0000 H 0 0 0
- -1.4019 -1.5556 0.0000 H 0 0 0
- 0.0000 3.6277 0.0000 H 0 0 0
- 2.7981 3.1003 0.0000 H 0 0 0
- -2.7979 3.1003 0.0000 H 0 0 0
- 4.4421 1.3340 0.0000 H 0 0 0
- -4.4422 1.3336 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 13 16 2 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 2 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17075-03-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.7831 -0.0055 -0.0022 C 0 0 0
- -0.4672 -0.3792 -0.0017 C 0 0 0
- 1.1298 1.4282 -0.0010 C 0 0 0
- 1.8649 -1.0066 0.0023 C 0 0 0
- -1.5437 0.6291 -0.0001 C 0 0 0
- -0.8223 -1.8097 -0.0024 C 0 0 0
- 0.1760 2.3287 0.0008 C 0 0 0
- 2.5593 1.7851 -0.0015 C 0 0 0
- 1.5177 -2.4376 0.0076 C 0 0 0
- 3.1119 -0.5974 0.0018 C 0 0 0
- -1.2405 1.9053 0.0009 C 0 0 0
- -2.9347 0.1431 0.0010 C 0 0 0
- 0.2533 -2.8155 -0.0038 C 0 0 0
- -2.0893 -2.1519 -0.0014 C 0 0 0
- 3.4629 0.8285 -0.0030 C 0 0 0
- -2.2256 2.8357 0.0019 N 0 0 0
- -3.1651 -1.1525 0.0004 C 0 0 0
- 0.4304 3.4002 0.0000 H 0 0 0
- 2.8685 2.8421 0.0000 H 0 0 0
- 2.3166 -3.1957 0.0000 H 0 0 0
- 3.9196 -1.3461 0.0000 H 0 0 0
- -3.7732 0.8571 0.0000 H 0 0 0
- 0.0014 -3.8876 0.0000 H 0 0 0
- -2.3537 -3.2210 0.0000 H 0 0 0
- 4.5278 1.1093 0.0000 H 0 0 0
- -1.9710 3.9072 0.0000 H 0 0 0
- -3.2808 2.5204 0.0000 H 0 0 0
- -4.2094 -1.5022 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 11 16 1 0
- 12 17 2 0
- 7 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74-96-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- -1.2848 0.6981 0.0000 C 0 0 0
- -2.2974 -0.4489 0.0000 C 0 0 0
- 0.5384 -0.0375 0.0000 Br 0 0 0
- -0.6600 1.8507 0.0000 H 0 0 0
- -2.3594 1.4491 0.0000 H 0 0 0
- -3.2802 0.4188 0.0000 H 0 0 0
- -3.1651 -1.4317 0.0000 H 0 0 0
- -1.3146 -1.3166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-503-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 1.1226 -0.0001 -0.1537 C 0 0 0
- 0.0403 -1.0488 0.1650 C 0 0 0
- 0.0404 1.0488 0.1650 C 0 0 0
- -0.9032 0.0001 -0.1324 O 0 0 0
- 1.8922 -0.7779 0.0000 H 0 0 0
- 1.8923 0.7776 0.0000 H 0 0 0
- -0.7641 -1.7906 0.0000 H 0 0 0
- 0.7919 -1.8440 0.0000 H 0 0 0
- 0.7922 1.8439 0.0000 H 0 0 0
- -0.7639 1.7907 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57835-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.3281 0.7959 -0.0157 C 0 0 0
- -1.2555 -0.3480 0.0115 C 0 0 0
- 0.9694 0.6057 -0.0139 C 0 0 0
- -0.9040 2.1531 -0.0510 C 0 0 0
- -0.6797 -1.7054 0.0411 C 0 0 0
- -2.5530 -0.1576 0.0089 C 0 0 0
- 1.5385 -0.7497 0.0149 C 0 0 0
- 1.8601 1.7828 -0.0419 C 0 0 0
- -2.3722 2.2780 -0.0566 C 0 0 0
- -0.1105 3.1965 -0.0756 C 0 0 0
- 0.7884 -1.8303 0.0417 C 0 0 0
- -1.4735 -2.7486 0.0660 C 0 0 0
- -3.1222 1.1977 -0.0214 C 0 0 0
- -3.4440 -1.3346 0.0366 C 0 0 0
- 2.8860 -0.8912 0.0153 N 0 3 0
- 1.3511 2.9959 -0.0680 C 0 0 0
- -2.9350 -2.5477 0.0642 C 0 0 0
- 3.4256 -1.5866 -0.8266 O 0 0 0
- 3.5578 -0.3230 0.8576 O 0 5 0
- 2.9111 1.6505 0.0000 H 0 0 0
- -2.8230 3.2366 0.0000 H 0 0 0
- -0.5153 4.1754 0.0000 H 0 0 0
- 1.2392 -2.7889 0.0000 H 0 0 0
- -1.0689 -3.7276 0.0000 H 0 0 0
- -4.1757 1.3083 0.0000 H 0 0 0
- -4.4950 -1.2022 0.0000 H 0 0 0
- 1.9964 3.8360 0.0000 H 0 0 0
- -3.5804 -3.3878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 12 17 1 0
- 15 18 2 0
- 15 19 1 0
- 7 11 2 0
- 9 13 2 0
- 10 16 1 0
- 14 17 2 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61396-61-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -1.3622 -0.0772 -0.2322 C 0 0 0
- -2.8182 0.0092 0.0411 C 0 0 0
- -0.7200 0.9437 -0.9303 C 0 0 0
- -0.6313 -1.1764 0.2131 C 0 0 0
- -3.6167 -1.1287 -0.0562 C 0 0 0
- -3.3908 1.2270 0.4016 C 0 0 0
- 0.6343 0.8584 -1.1814 C 0 0 0
- 0.7230 -1.2514 -0.0435 C 0 0 0
- -4.9701 -1.0427 0.1996 C 0 0 0
- -4.7456 1.3016 0.6552 C 0 0 0
- 1.3543 -0.2379 -0.7414 C 0 0 0
- -5.5343 0.1702 0.5520 C 0 0 0
- 2.8329 -0.3257 -1.0190 C 0 0 0
- 3.6069 0.3233 0.1303 C 0 0 0
- 5.1081 0.2342 -0.1516 C 0 0 0
- 5.8821 0.8831 0.9976 C 0 0 0
- 5.7406 -0.5335 0.8744 O 0 0 0
- -1.1835 1.8490 0.0000 H 0 0 0
- -1.1364 -2.0592 0.0000 H 0 0 0
- -3.1764 -2.0455 0.0000 H 0 0 0
- -2.8223 2.0704 0.0000 H 0 0 0
- 1.1452 1.7379 0.0000 H 0 0 0
- 1.1919 -2.1539 0.0000 H 0 0 0
- -5.5439 -1.8825 0.0000 H 0 0 0
- -5.1912 2.2159 0.0000 H 0 0 0
- -6.5476 0.2583 0.0000 H 0 0 0
- 2.5028 -1.2877 0.0000 H 0 0 0
- 3.6713 -0.9015 0.0000 H 0 0 0
- 3.9370 1.2853 0.0000 H 0 0 0
- 2.7685 0.8991 0.0000 H 0 0 0
- 4.7889 1.1999 0.0000 H 0 0 0
- 6.8852 1.0514 0.0000 H 0 0 0
- 5.4563 1.8068 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 8 11 2 0
- 10 12 2 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7493-63-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.5329 0.5430 0.4970 C 0 0 0
- -1.6260 -0.0909 0.0285 O 0 0 0
- -0.6521 1.5781 1.1224 O 0 0 0
- 0.8059 -0.0218 0.2560 C 0 0 0
- -2.9462 0.4627 0.2712 C 0 0 0
- 1.7585 0.7056 -0.4752 C 0 0 0
- 1.1382 -1.2832 0.7589 C 0 0 0
- -3.9878 -0.4303 -0.3522 C 0 0 0
- 1.4440 1.9618 -0.9754 N 0 0 0
- 3.0182 0.1614 -0.6950 C 0 0 0
- 2.3919 -1.8054 0.5304 C 0 0 0
- -3.6237 -1.5150 -0.9901 C 0 0 0
- 3.3284 -1.0868 -0.1965 C 0 0 0
- -2.4368 1.2896 0.0000 H 0 0 0
- -3.6846 1.0936 0.0000 H 0 0 0
- 0.4060 -1.9213 0.0000 H 0 0 0
- -4.9241 -0.1721 0.0000 H 0 0 0
- 2.1420 2.6371 0.0000 H 0 0 0
- 0.5101 2.2286 0.0000 H 0 0 0
- 3.7590 0.7895 0.0000 H 0 0 0
- 2.5177 -2.7684 0.0000 H 0 0 0
- -4.2666 -2.2430 0.0000 H 0 0 0
- -2.6718 -1.7077 0.0000 H 0 0 0
- 4.2452 -1.4074 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 11 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-504-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.8999 -0.0391 0.0020 C 0 0 0
- -0.1886 -1.2349 0.0013 C 0 0 0
- -0.2647 1.1226 0.0011 N 0 0 0
- -2.2897 -0.0642 -0.0022 N 0 0 0
- 1.1938 -1.1952 -0.0004 C 0 0 0
- 1.0532 1.1906 -0.0005 C 0 0 0
- 1.8213 0.0438 -0.0013 C 0 0 0
- -0.6884 -2.1438 0.0000 H 0 0 0
- -2.8244 0.8246 0.0000 H 0 0 0
- -2.7920 -0.9717 0.0000 H 0 0 0
- 1.7495 -2.0710 0.0000 H 0 0 0
- 1.5179 2.1179 0.0000 H 0 0 0
- 2.8566 0.1067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-72-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -0.1429 -0.4927 -0.2579 C 0 0 0
- -1.2411 0.5326 0.0312 C 0 0 0
- 1.1793 0.2153 -0.4046 C 0 0 0
- -2.5835 -0.1862 0.1801 C 0 0 0
- 2.0929 -0.0517 0.3387 O 0 0 0
- -0.9964 -1.2269 0.0000 H 0 0 0
- 0.4937 -1.4213 0.0000 H 0 0 0
- -0.3876 1.2668 0.0000 H 0 0 0
- -1.8777 1.4612 0.0000 H 0 0 0
- 1.0628 1.3351 0.0000 H 0 0 0
- -3.1150 0.8063 0.0000 H 0 0 0
- -3.5760 -0.7177 0.0000 H 0 0 0
- -2.0520 -1.1787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2873-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.8028 -1.2037 0.0575 C 0 0 0
- -0.3777 -0.6760 0.7461 N 0 0 0
- 1.3619 -0.1372 -0.8864 C 0 0 0
- 1.8683 -1.5814 1.0885 C 0 0 0
- 0.4111 -2.4436 -0.7488 C 0 0 0
- -1.3993 -0.1611 0.0337 C 0 0 0
- 1.5476 1.1539 -0.1317 C 0 0 0
- -2.5262 0.4843 0.7248 C 0 0 0
- -1.3896 -0.2299 -1.1804 O 0 0 0
- 2.2497 2.3154 -0.7868 C 0 0 0
- 1.1338 1.2579 0.9980 O 0 0 0
- -3.5344 0.9925 0.0218 C 0 0 0
- -0.7653 -1.4917 0.0000 H 0 0 0
- 1.9281 -0.8408 0.0000 H 0 0 0
- 2.2329 0.1014 0.0000 H 0 0 0
- 1.5666 -2.4326 0.0000 H 0 0 0
- 2.7195 -1.8831 0.0000 H 0 0 0
- 2.1700 -0.7302 0.0000 H 0 0 0
- -0.4501 -2.1715 0.0000 H 0 0 0
- 0.1390 -3.3048 0.0000 H 0 0 0
- 1.2723 -2.7157 0.0000 H 0 0 0
- -2.0984 1.2797 0.0000 H 0 0 0
- 3.0226 1.8482 0.0000 H 0 0 0
- 2.7169 3.0883 0.0000 H 0 0 0
- 1.4768 2.7826 0.0000 H 0 0 0
- -3.5856 1.8942 0.0000 H 0 0 0
- -4.2897 0.4973 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 6 9 2 0
- 7 10 1 0
- 7 11 2 0
- 8 12 2 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24934-91-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 0.9422 0.0393 -0.0940 P 0 0 0
- 1.1522 -1.2618 -1.0187 O 0 0 0
- 0.9655 1.3607 -1.0136 O 0 0 0
- -0.9244 -0.0955 0.9021 S 0 0 0
- 2.3128 0.1344 1.1650 S 0 0 0
- 1.1802 -2.3907 -0.1431 C 0 0 0
- 0.7954 2.4767 -0.1374 C 0 0 0
- -2.0457 -0.0563 -0.5233 C 0 0 0
- 1.3782 -3.6672 -0.9629 C 0 0 0
- 0.8084 3.7715 -0.9524 C 0 0 0
- -3.7516 -0.1596 0.0511 Cl 0 0 0
- 0.3004 -1.9594 0.0000 H 0 0 0
- 0.3911 -2.9715 0.0000 H 0 0 0
- -0.0737 2.9290 0.0000 H 0 0 0
- -0.0014 1.9065 0.0000 H 0 0 0
- -1.5531 0.7907 0.0000 H 0 0 0
- -2.5597 0.7778 0.0000 H 0 0 0
- 0.4100 -3.8174 0.0000 H 0 0 0
- 1.5284 -4.6354 0.0000 H 0 0 0
- 2.3464 -3.5170 0.0000 H 0 0 0
- 1.7882 3.7617 0.0000 H 0 0 0
- 0.8182 4.7513 0.0000 H 0 0 0
- -0.1714 3.7813 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-618-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.7982 0.6734 -0.0012 C 0 0 0
- -3.3153 -0.1705 -0.0017 Cl 0 0 0
- -1.7789 1.8863 0.0044 O 0 0 0
- -0.5343 -0.0834 -0.0015 C 0 0 0
- 0.6889 0.5926 -0.0011 C 0 0 0
- -0.5527 -1.4814 0.0037 C 0 0 0
- 1.8690 -0.1237 -0.0013 C 0 0 0
- 0.6341 -2.1835 0.0034 C 0 0 0
- 3.3901 0.7130 -0.0003 Cl 0 0 0
- 1.8420 -1.5082 -0.0020 C 0 0 0
- 0.7101 1.6358 0.0000 H 0 0 0
- -1.4624 -1.9923 0.0000 H 0 0 0
- 0.6214 -3.2268 0.0000 H 0 0 0
- 2.7368 -2.0449 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 1 0
- 10 7 2 0
- 8 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58775-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 51 1 V2000
- 2.4450 0.3660 0.1806 C 0 0 0
- 2.0732 -0.9442 0.4695 C 0 0 0
- 3.9483 0.3814 0.0021 C 0 0 1
- 1.4950 1.3625 0.0997 C 0 0 0
- 0.7365 -1.2434 0.7115 C 0 0 0
- 3.1529 -1.7721 0.4545 O 0 0 0
- 4.3557 -1.0018 0.6005 C 0 0 1
- 4.2724 0.1819 -1.4666 C 0 0 0
- 4.5941 1.5012 0.6113 O 0 0 0
- 0.1474 1.0476 0.3090 C 0 0 0
- 1.8639 2.6379 -0.1800 O 0 0 0
- -0.2436 -0.2556 0.6568 C 0 0 0
- 5.3118 -1.4629 -0.3731 O 0 0 0
- 5.0377 -0.8831 -1.5629 C 0 0 0
- -0.9041 2.0728 0.1587 C 0 0 0
- -1.5058 -0.5944 0.9428 O 0 0 0
- -2.2709 1.5170 0.0510 C 0 0 0
- -0.6679 3.2672 0.1262 O 0 0 0
- -2.4724 0.1875 0.4509 C 0 0 0
- -3.3256 2.2979 -0.4300 C 0 0 0
- -3.7569 -0.3462 0.3174 C 0 0 0
- -4.5885 1.7397 -0.5474 C 0 0 0
- -3.1147 3.5921 -0.7787 O 0 0 0
- -4.7912 0.4237 -0.1667 C 0 0 0
- -4.0130 -1.7794 0.7068 C 0 0 0
- -3.7885 -2.6719 -0.4866 C 0 0 0
- -2.8788 -3.6133 -0.4385 C 0 0 0
- -2.6543 -4.5059 -1.6318 C 0 0 0
- -2.0569 -3.8038 0.8102 C 0 0 0
- 0.4562 -2.2019 0.0000 H 0 0 0
- 5.1170 -0.3555 0.0000 H 0 0 0
- 4.9529 0.9128 0.0000 H 0 0 0
- 5.0930 2.3663 0.0000 H 0 0 0
- 2.1414 3.5972 0.0000 H 0 0 0
- 5.8981 -0.3762 0.0000 H 0 0 0
- -5.3812 2.3470 0.0000 H 0 0 0
- -2.9541 4.5777 0.0000 H 0 0 0
- -5.7152 0.0449 0.0000 H 0 0 0
- -4.8595 -1.2495 0.0000 H 0 0 0
- -4.8205 -2.3669 0.0000 H 0 0 0
- -4.6613 -3.1571 0.0000 H 0 0 0
- -3.6228 -4.7495 0.0000 H 0 0 0
- -2.4107 -5.4744 0.0000 H 0 0 0
- -1.6858 -4.2623 0.0000 H 0 0 0
- -2.2824 -4.7766 0.0000 H 0 0 0
- -1.0841 -4.0293 0.0000 H 0 0 0
- -1.8314 -2.8310 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 2 0
- 20 23 1 0
- 21 24 2 0
- 21 25 1 0
- 25 26 1 0
- 26 27 2 0
- 27 28 1 0
- 27 29 1 0
- 6 7 1 0
- 10 12 2 0
- 13 14 1 0
- 17 19 2 0
- 22 24 1 0
- 5 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 14 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
- 25 39 1 0
- 25 40 1 0
- 26 41 1 0
- 28 42 1 0
- 28 43 1 0
- 28 44 1 0
- 29 45 1 0
- 29 46 1 0
- 29 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6334-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -2.4574 -0.7009 0.0005 C 0 0 0
- -3.5937 -0.2773 0.0010 O 0 0 0
- -1.3234 0.2357 0.0015 C 0 0 0
- -0.0105 -0.2492 0.0009 C 0 0 0
- -1.5514 1.6161 -0.0028 C 0 0 0
- 0.2863 -1.9596 -0.0010 Cl 0 0 0
- 1.0489 0.6385 0.0013 C 0 0 0
- -0.4840 2.4879 -0.0024 C 0 0 0
- 2.6791 0.0417 0.0000 Cl 0 0 0
- 0.8126 2.0023 0.0024 C 0 0 0
- -2.2841 -1.7303 0.0000 H 0 0 0
- -2.5279 1.9849 0.0000 H 0 0 0
- -0.6537 3.5179 0.0000 H 0 0 0
- 1.6163 2.6684 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 7 1 0
- 10 7 2 0
- 8 10 1 0
- 1 11 1 0
- 5 12 1 0
- 8 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-112-95-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 61 1 V2000
- 0.6222 -0.4450 -0.0049 C 0 0 0
- -0.6222 0.4450 0.0049 C 0 0 0
- 1.8762 0.4316 0.0047 C 0 0 0
- -1.8762 -0.4316 -0.0047 C 0 0 0
- 3.1207 -0.4583 -0.0050 C 0 0 0
- -3.1207 0.4583 0.0050 C 0 0 0
- 4.3746 0.4183 0.0046 C 0 0 0
- -4.3746 -0.4183 -0.0046 C 0 0 0
- 5.6191 -0.4716 -0.0051 C 0 0 0
- -5.6191 0.4716 0.0051 C 0 0 0
- 6.8730 0.4050 0.0044 C 0 0 0
- -6.8730 -0.4050 -0.0044 C 0 0 0
- 8.1175 -0.4850 -0.0053 C 0 0 0
- -8.1175 0.4850 0.0053 C 0 0 0
- 9.3715 0.3917 0.0043 C 0 0 0
- -9.3715 -0.3917 -0.0043 C 0 0 0
- 10.6159 -0.4983 -0.0054 C 0 0 0
- -10.6159 0.4983 0.0054 C 0 0 0
- 11.8699 0.3783 0.0041 C 0 0 0
- -11.8699 -0.3783 -0.0041 C 0 0 0
- -0.1465 -1.2969 0.0000 H 0 0 0
- 1.3817 -1.3051 0.0000 H 0 0 0
- 0.1465 1.2969 0.0000 H 0 0 0
- -1.3817 1.3051 0.0000 H 0 0 0
- 2.6449 1.2835 0.0000 H 0 0 0
- 1.1167 1.2917 0.0000 H 0 0 0
- -2.6449 -1.2835 0.0000 H 0 0 0
- -1.1167 -1.2917 0.0000 H 0 0 0
- 2.3520 -1.3102 0.0000 H 0 0 0
- 3.8803 -1.3184 0.0000 H 0 0 0
- -2.3520 1.3102 0.0000 H 0 0 0
- -3.8803 1.3184 0.0000 H 0 0 0
- 5.1433 1.2702 0.0000 H 0 0 0
- 3.6150 1.2784 0.0000 H 0 0 0
- -5.1433 -1.2702 0.0000 H 0 0 0
- -3.6150 -1.2784 0.0000 H 0 0 0
- 4.8504 -1.3235 0.0000 H 0 0 0
- 6.3787 -1.3317 0.0000 H 0 0 0
- -4.8504 1.3235 0.0000 H 0 0 0
- -6.3787 1.3317 0.0000 H 0 0 0
- 7.6417 1.2569 0.0000 H 0 0 0
- 6.1135 1.2651 0.0000 H 0 0 0
- -7.6417 -1.2569 0.0000 H 0 0 0
- -6.1135 -1.2651 0.0000 H 0 0 0
- 7.3488 -1.3369 0.0000 H 0 0 0
- 8.8771 -1.3451 0.0000 H 0 0 0
- -7.3488 1.3369 0.0000 H 0 0 0
- -8.8771 1.3451 0.0000 H 0 0 0
- 10.1402 1.2436 0.0000 H 0 0 0
- 8.6120 1.2518 0.0000 H 0 0 0
- -10.1402 -1.2436 0.0000 H 0 0 0
- -8.6120 -1.2518 0.0000 H 0 0 0
- 9.8472 -1.3502 0.0000 H 0 0 0
- 11.3754 -1.3584 0.0000 H 0 0 0
- -9.8472 1.3502 0.0000 H 0 0 0
- -11.3754 1.3584 0.0000 H 0 0 0
- 12.5273 -0.5622 0.0000 H 0 0 0
- 12.8104 1.0357 0.0000 H 0 0 0
- 11.2125 1.3188 0.0000 H 0 0 0
- -12.5273 0.5622 0.0000 H 0 0 0
- -12.8104 -1.0357 0.0000 H 0 0 0
- -11.2125 -1.3188 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 13 11 1 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 17 1 0
- 20 18 1 0
- 1 21 1 0
- 1 22 1 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 11 41 1 0
- 11 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 14 48 1 0
- 15 49 1 0
- 15 50 1 0
- 16 51 1 0
- 16 52 1 0
- 17 53 1 0
- 17 54 1 0
- 18 55 1 0
- 18 56 1 0
- 19 57 1 0
- 19 58 1 0
- 19 59 1 0
- 20 60 1 0
- 20 61 1 0
- 20 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127-47-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- 4.6438 -0.2457 -0.2116 C 0 0 0
- 5.5159 0.4606 0.7852 C 0 0 0
- 4.9334 -1.4240 -0.7345 C 0 0 0
- 3.4008 0.4042 -0.6226 C 0 0 0
- 6.5086 -0.5238 1.4071 C 0 0 0
- 6.2854 1.5807 0.0822 C 0 0 0
- 4.6418 1.0634 1.8867 C 0 0 0
- 6.1665 -2.2078 -0.3904 C 0 0 0
- 3.9711 -2.0147 -1.7325 C 0 0 0
- 2.2376 0.1025 0.0063 C 0 0 0
- 7.1993 -1.2981 0.2778 C 0 0 0
- 1.0390 0.7292 -0.3901 C 0 0 0
- -0.1270 0.4268 0.2404 C 0 0 0
- 1.0498 1.7345 -1.5127 C 0 0 0
- -1.3256 1.0535 -0.1559 C 0 0 0
- -2.4888 0.7518 0.4730 C 0 0 0
- -3.7318 1.4017 0.0620 C 0 0 0
- -4.8770 1.1046 0.6813 C 0 0 0
- -3.7210 2.4070 -1.0607 C 0 0 0
- -6.0077 0.4720 -0.0883 C 0 0 0
- -6.5292 -0.6583 0.6592 O 0 0 0
- -7.6104 -1.3167 0.2131 C 0 0 0
- -8.2055 -2.4317 1.0339 C 0 0 0
- -8.1066 -1.0155 -0.8466 O 0 0 0
- 3.5057 1.3200 0.0000 H 0 0 0
- 7.4071 -0.3180 0.0000 H 0 0 0
- 6.7616 0.3626 0.0000 H 0 0 0
- 7.0452 1.0587 0.0000 H 0 0 0
- 6.8074 2.3405 0.0000 H 0 0 0
- 5.5256 2.1027 0.0000 H 0 0 0
- 5.1651 1.8223 0.0000 H 0 0 0
- 3.8829 1.5867 0.0000 H 0 0 0
- 4.1185 0.3045 0.0000 H 0 0 0
- 5.6011 -2.9358 0.0000 H 0 0 0
- 6.8381 -2.8392 0.0000 H 0 0 0
- 3.4889 -1.2291 0.0000 H 0 0 0
- 3.1855 -2.4969 0.0000 H 0 0 0
- 4.4533 -2.8003 0.0000 H 0 0 0
- 2.1327 -0.8133 0.0000 H 0 0 0
- 7.8100 -1.9886 0.0000 H 0 0 0
- 7.8885 -0.6859 0.0000 H 0 0 0
- -0.2319 -0.4890 0.0000 H 0 0 0
- 1.9716 1.7246 0.0000 H 0 0 0
- 1.0597 2.6563 0.0000 H 0 0 0
- 0.1280 1.7444 0.0000 H 0 0 0
- -1.2207 1.9693 0.0000 H 0 0 0
- -2.5937 -0.1640 0.0000 H 0 0 0
- -5.2206 1.9600 0.0000 H 0 0 0
- -2.7992 2.3971 0.0000 H 0 0 0
- -3.7111 3.3288 0.0000 H 0 0 0
- -4.6428 2.4169 0.0000 H 0 0 0
- -6.1872 1.3762 0.0000 H 0 0 0
- -6.9231 0.5807 0.0000 H 0 0 0
- -9.0187 -1.9977 0.0000 H 0 0 0
- -8.6395 -3.2449 0.0000 H 0 0 0
- -7.3923 -2.8657 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 2 0
- 8 11 1 0
- 4 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 11 40 1 0
- 11 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 14 45 1 0
- 15 46 1 0
- 16 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
- 20 53 1 0
- 23 54 1 0
- 23 55 1 0
- 23 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-17-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.9134 -0.0299 0.0037 C 0 0 0
- -0.3344 -1.2857 0.0033 C 0 0 0
- -0.1178 1.1007 0.0023 C 0 0 0
- -2.3874 0.1041 -0.0005 N 0 3 0
- 1.0409 -1.4134 0.0014 C 0 0 0
- 1.2584 0.9783 0.0005 C 0 0 0
- -2.8984 1.2097 -0.0001 O 0 0 0
- -3.0893 -0.8913 -0.0043 O 0 5 0
- 1.8416 -0.2802 0.0000 C 0 0 0
- 3.1951 -0.4032 -0.0014 O 0 0 0
- 3.7302 0.9218 -0.0027 C 0 0 0
- -0.9332 -2.1322 0.0000 H 0 0 0
- -0.5542 2.0412 0.0000 H 0 0 0
- 1.4746 -2.3552 0.0000 H 0 0 0
- 1.8547 1.8265 0.0000 H 0 0 0
- 4.6916 0.5335 0.0000 H 0 0 0
- 4.1185 1.8832 0.0000 H 0 0 0
- 2.7688 1.3101 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68053-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.6298 -0.1030 0.0680 C 0 0 2
- -1.1540 -1.5299 -0.1234 C 0 0 2
- -0.5859 0.9656 -0.1004 C 0 0 0
- -1.3738 -0.9888 1.2899 C 0 0 0
- -3.0506 0.2640 -0.2752 C 0 0 0
- 0.3100 -1.7296 -0.4733 C 0 0 1
- -2.1362 -2.5764 -0.6534 C 0 0 0
- 0.7004 0.6491 0.0149 C 0 0 0
- -0.9824 2.3434 -0.3895 C 0 0 0
- -3.7827 0.7064 0.5773 O 0 0 0
- 1.1991 -0.7586 0.2984 C 0 0 2
- 0.6938 -3.0719 -0.1684 O 0 0 0
- 1.9051 1.5439 -0.1224 C 0 0 0
- -2.1561 2.6507 -0.3848 O 0 0 0
- 2.6275 -0.7771 -0.2957 C 0 0 0
- 3.1482 0.6429 0.0487 C 0 0 0
- 4.2525 1.0607 -0.9243 C 0 0 0
- 3.6563 0.6969 1.4909 C 0 0 0
- -2.4241 -0.7678 0.0000 H 0 0 0
- -2.0621 -1.8124 0.0000 H 0 0 0
- -3.4668 -0.7254 0.0000 H 0 0 0
- -0.0549 -0.7202 0.0000 H 0 0 0
- -2.9188 -1.8419 0.0000 H 0 0 0
- -2.8707 -3.3590 0.0000 H 0 0 0
- -1.3536 -3.3109 0.0000 H 0 0 0
- -0.2326 3.1115 0.0000 H 0 0 0
- 1.6252 -1.7437 0.0000 H 0 0 0
- 0.9889 -4.1039 0.0000 H 0 0 0
- 2.6199 2.3446 0.0000 H 0 0 0
- 1.1810 2.3362 0.0000 H 0 0 0
- 2.4928 -1.8420 0.0000 H 0 0 0
- 3.6704 -1.0308 0.0000 H 0 0 0
- 4.6323 0.0568 0.0000 H 0 0 0
- 5.2564 1.4405 0.0000 H 0 0 0
- 3.8727 2.0646 0.0000 H 0 0 0
- 3.7697 -0.3704 0.0000 H 0 0 0
- 4.7236 0.8103 0.0000 H 0 0 0
- 3.5429 1.7642 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 13 16 1 0
- 16 17 1 0
- 16 18 1 0
- 2 4 1 0
- 8 11 1 0
- 15 16 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- -3.1169 -0.3248 0.1284 C 0 0 0
- -4.3166 0.2772 0.1290 O 0 0 0
- -1.8581 0.5038 0.1294 C 0 0 0
- -3.0462 -1.5309 0.1321 O 0 0 0
- -5.5294 -0.5211 0.1281 C 0 0 0
- -0.6390 -0.4207 0.1284 C 0 0 0
- -6.7485 0.4035 0.1291 C 0 0 0
- 0.6390 0.4205 0.1294 C 0 0 0
- -6.7190 1.2876 -1.1193 C 0 0 0
- -8.0265 -0.4377 0.1281 C 0 0 0
- 1.8581 -0.5041 0.1285 C 0 0 0
- 3.1169 0.3245 0.1294 C 0 0 0
- 4.3166 -0.2775 0.1288 O 0 0 0
- 3.0462 1.5307 0.1307 O 0 0 0
- 5.5294 0.5208 0.1297 C 0 0 0
- 6.7485 -0.4038 0.1288 C 0 0 0
- 6.7191 -1.2852 -1.1215 C 0 0 0
- 8.0265 0.4374 0.1298 C 0 0 0
- -1.0777 1.3214 0.0000 H 0 0 0
- -2.5823 1.3716 0.0000 H 0 0 0
- -6.3098 -1.3387 0.0000 H 0 0 0
- -4.8052 -1.3889 0.0000 H 0 0 0
- -1.4194 -1.2383 0.0000 H 0 0 0
- 0.0852 -1.2885 0.0000 H 0 0 0
- -5.7280 0.8893 0.0000 H 0 0 0
- 1.4194 1.2381 0.0000 H 0 0 0
- -0.0852 1.2883 0.0000 H 0 0 0
- -5.5894 1.2499 0.0000 H 0 0 0
- -6.6813 2.4172 0.0000 H 0 0 0
- -7.8486 1.3253 0.0000 H 0 0 0
- -8.6479 0.5064 0.0000 H 0 0 0
- -8.9706 -1.0591 0.0000 H 0 0 0
- -7.4051 -1.3818 0.0000 H 0 0 0
- 1.0777 -1.3217 0.0000 H 0 0 0
- 2.5823 -1.3719 0.0000 H 0 0 0
- 6.3098 1.3384 0.0000 H 0 0 0
- 4.8052 1.3886 0.0000 H 0 0 0
- 5.7280 -0.8896 0.0000 H 0 0 0
- 5.5895 -1.2475 0.0000 H 0 0 0
- 6.6814 -2.4148 0.0000 H 0 0 0
- 7.8487 -1.3229 0.0000 H 0 0 0
- 8.6479 -0.5067 0.0000 H 0 0 0
- 8.9706 1.0588 0.0000 H 0 0 0
- 7.4051 1.3815 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 1 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 1 0
- 3 19 1 0
- 3 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 11 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 18 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105836-99-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.6754 -0.2070 -0.0033 C 0 0 0
- -1.1223 -1.5665 -0.0023 C 0 0 0
- -0.8641 0.8453 -0.0035 N 0 0 0
- -3.0778 -0.0459 0.0017 C 0 0 0
- 0.1932 -1.7535 -0.0010 N 0 0 0
- -2.0139 -2.6609 -0.0022 C 0 0 0
- 0.4512 0.6584 -0.0027 C 0 0 0
- -3.8783 -1.1420 0.0074 C 0 0 0
- -3.6717 1.3100 0.0013 N 0 3 0
- 1.0044 -0.7015 -0.0006 C 0 0 0
- -3.3522 -2.4351 -0.0031 C 0 0 0
- 1.3430 1.7527 -0.0026 C 0 0 0
- -4.8823 1.4446 0.0056 O 0 0 0
- -2.9499 2.2910 -0.0034 O 0 5 0
- 2.4068 -0.8626 0.0006 C 0 0 0
- 2.6813 1.5266 -0.0016 C 0 0 0
- 3.2073 0.2335 0.0007 C 0 0 0
- 4.6765 0.0530 0.0020 N 0 3 0
- 5.4095 1.0257 0.0021 O 0 0 0
- 5.1523 -1.0682 0.0029 O 0 5 0
- -1.6553 -3.6136 0.0000 H 0 0 0
- -4.8887 -1.0179 0.0000 H 0 0 0
- -3.9889 -3.2293 0.0000 H 0 0 0
- 0.9846 2.7055 0.0000 H 0 0 0
- 2.8152 -1.7951 0.0000 H 0 0 0
- 3.3182 2.3208 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 10 1 0
- 8 11 1 0
- 16 17 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-80-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7546 0.7435 0.0019 C 0 0 0
- -1.1412 -0.5912 0.0004 C 0 0 0
- 0.5934 1.0740 0.0018 C 0 0 0
- -1.7216 1.7514 -0.0023 N 0 0 0
- -0.1852 -1.5889 -0.0008 C 0 0 0
- -2.6046 -0.9509 0.0005 C 0 0 0
- 1.5507 0.0697 0.0002 C 0 0 0
- 1.1572 -1.2634 -0.0009 C 0 0 0
- 2.9083 0.3979 -0.0004 N 0 0 0
- 0.8859 2.0743 0.0000 H 0 0 0
- -1.4311 2.7523 0.0000 H 0 0 0
- -2.7336 1.5026 0.0000 H 0 0 0
- -0.4776 -2.5892 0.0000 H 0 0 0
- -2.8534 0.0611 0.0000 H 0 0 0
- -3.6166 -1.1997 0.0000 H 0 0 0
- -2.3558 -1.9629 0.0000 H 0 0 0
- 1.8758 -2.0182 0.0000 H 0 0 0
- 3.6269 -0.3569 0.0000 H 0 0 0
- 3.2027 1.3976 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74-11-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.1503 0.0225 -0.0010 C 0 0 0
- -2.6268 0.0360 -0.0007 C 0 0 0
- -0.4380 1.2242 0.0007 C 0 0 0
- -0.4602 -1.1915 0.0028 C 0 0 0
- -3.3110 -1.1245 -0.0024 O 0 0 0
- -3.2246 1.0935 0.0010 O 0 0 0
- 0.9405 1.2050 0.0008 C 0 0 0
- 0.9188 -1.1975 0.0030 C 0 0 0
- 1.6193 -0.0027 -0.0007 C 0 0 0
- 3.3552 -0.0185 -0.0010 Cl 0 0 0
- -0.9460 2.1304 0.0000 H 0 0 0
- -0.9846 -2.0883 0.0000 H 0 0 0
- -3.8386 -2.0194 0.0000 H 0 0 0
- 1.4714 2.0980 0.0000 H 0 0 0
- 1.4333 -2.1001 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 8 9 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-610-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4607 0.4995 0.0175 C 0 0 0
- -0.8984 -0.8253 -0.0440 C 0 0 0
- 0.8903 0.7755 0.0432 C 0 0 0
- -1.4445 1.6050 0.0489 N 0 3 0
- 0.0364 -1.8616 -0.0790 C 0 0 0
- -2.3439 -1.1286 -0.0713 C 0 0 0
- 1.8115 -0.2566 0.0081 C 0 0 0
- -1.3811 2.5002 -0.7746 O 0 0 0
- -2.3174 1.6195 0.8982 O 0 5 0
- 1.3849 -1.5712 -0.0528 C 0 0 0
- -2.7658 -2.4055 0.0077 O 0 0 0
- -3.1521 -0.2266 -0.1649 O 0 0 0
- 3.2599 0.0473 0.0355 N 0 3 0
- 4.0730 -0.8590 0.0048 O 0 0 0
- 3.6385 1.2037 0.0887 O 0 5 0
- 1.2160 1.7574 0.0000 H 0 0 0
- -0.2815 -2.8461 0.0000 H 0 0 0
- 2.0783 -2.3390 0.0000 H 0 0 0
- -3.0904 -3.3878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 2 0
- 13 15 1 0
- 7 10 2 0
- 3 16 1 0
- 5 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 2.1565 0.0309 0.0144 C 0 0 0
- 0.7200 0.0107 -0.5119 C 0 0 0
- 2.8728 1.2786 -0.5060 C 0 0 0
- 2.1389 0.0536 1.5441 C 0 0 0
- 2.8648 -1.1696 -0.4493 N 0 0 0
- 0.0037 -1.2371 0.0085 C 0 0 0
- -0.0177 1.2610 -0.0289 C 0 0 0
- -1.4328 -1.2573 -0.5178 C 0 0 0
- -1.4542 1.2408 -0.5552 C 0 0 0
- -2.1705 -0.0070 -0.0348 C 0 0 0
- -3.6070 -0.0272 -0.5610 C 0 0 0
- -2.1874 0.0148 1.4340 N 0 0 0
- 1.2664 -0.9179 0.0000 H 0 0 0
- 3.8072 0.7421 0.0000 H 0 0 0
- 3.4093 2.2130 0.0000 H 0 0 0
- 1.9384 1.8151 0.0000 H 0 0 0
- 2.9904 0.7138 0.0000 H 0 0 0
- 1.4787 0.9051 0.0000 H 0 0 0
- 1.2874 -0.6066 0.0000 H 0 0 0
- 2.3349 -2.1078 0.0000 H 0 0 0
- 3.9422 -1.1594 0.0000 H 0 0 0
- -0.1726 -2.3001 0.0000 H 0 0 0
- 1.0185 -1.5992 0.0000 H 0 0 0
- 0.9907 1.6406 0.0000 H 0 0 0
- -0.2181 2.3197 0.0000 H 0 0 0
- -2.4412 -1.6369 0.0000 H 0 0 0
- -1.2324 -2.3160 0.0000 H 0 0 0
- -1.2779 2.3038 0.0000 H 0 0 0
- -2.4690 1.6029 0.0000 H 0 0 0
- -3.6222 1.0502 0.0000 H 0 0 0
- -4.6844 -0.0423 0.0000 H 0 0 0
- -3.5919 -1.1046 0.0000 H 0 0 0
- -1.7800 1.0123 0.0000 H 0 0 0
- -3.2550 -0.1311 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 10 12 1 0
- 9 10 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 11 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2475-46-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 0.3977 0.1672 0.1707 C 0 0 0
- -0.6284 1.1338 0.0805 C 0 0 0
- 1.7336 0.5718 0.1062 C 0 0 0
- 0.0491 -1.2546 0.3253 C 0 0 0
- -2.0369 0.7109 0.1466 C 0 0 0
- -0.2941 2.4820 -0.0717 C 0 0 0
- 2.0416 1.9277 -0.0468 C 0 0 0
- 2.7500 -0.3671 0.1931 N 0 0 0
- -1.3444 -1.6865 0.0808 C 0 0 0
- 0.8966 -2.0644 0.6497 O 0 0 0
- -2.3672 -0.7237 0.0008 C 0 0 0
- -2.9183 1.5309 0.3195 O 0 0 0
- 1.0510 2.8609 -0.1336 C 0 0 0
- -1.2918 3.4406 -0.1605 N 0 0 0
- 4.1496 0.0601 0.1252 C 0 0 0
- -1.6529 -3.0356 -0.0619 C 0 0 0
- -3.6788 -1.1290 -0.2248 C 0 0 0
- -0.9382 4.8533 -0.3200 C 0 0 0
- 5.0622 -1.1621 0.2447 C 0 0 0
- -2.9617 -3.4212 -0.2910 C 0 0 0
- -3.9689 -2.4750 -0.3594 C 0 0 0
- 4.7881 -2.0677 -0.8262 O 0 0 0
- 3.0386 2.2317 0.0000 H 0 0 0
- 2.5177 -1.3832 0.0000 H 0 0 0
- 1.2993 3.8732 0.0000 H 0 0 0
- -2.2935 3.1525 0.0000 H 0 0 0
- 5.0508 0.5837 0.0000 H 0 0 0
- 3.7329 1.0155 0.0000 H 0 0 0
- -0.8935 -3.7495 0.0000 H 0 0 0
- -4.4473 -0.4249 0.0000 H 0 0 0
- 0.0729 4.6002 0.0000 H 0 0 0
- -0.6851 5.8644 0.0000 H 0 0 0
- -1.9493 5.1064 0.0000 H 0 0 0
- 5.9740 -1.6671 0.0000 H 0 0 0
- 5.7476 -0.3768 0.0000 H 0 0 0
- -3.2032 -4.4351 0.0000 H 0 0 0
- -4.9640 -2.7852 0.0000 H 0 0 0
- 4.4862 -3.0653 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 2 0
- 19 22 1 0
- 7 13 2 0
- 9 11 2 0
- 20 21 1 0
- 7 23 1 0
- 8 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115664-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 40 1 V2000
- -0.6520 0.7643 0.1143 C 0 0 0
- -1.6042 -0.3603 0.1084 C 0 0 0
- 0.7330 0.5083 0.0577 C 0 0 0
- -1.0811 2.0920 0.1689 C 0 0 0
- -2.9842 -0.1564 0.1619 C 0 0 0
- -1.1226 -1.6842 0.0479 C 0 0 0
- 1.2321 -0.8755 -0.0082 C 0 0 0
- 1.6426 1.5681 0.0633 C 0 0 0
- -2.5556 2.4157 0.2230 C 0 0 0
- -0.1706 3.1244 0.1739 C 0 0 0
- -3.5470 1.2437 0.2274 C 0 0 0
- -3.8524 -1.2253 0.1563 C 0 0 0
- 0.3249 -1.9475 -0.0122 C 0 0 0
- -2.0176 -2.7558 0.0442 C 0 0 0
- 2.6040 -1.1307 -0.0673 C 0 0 0
- 1.1912 2.8661 0.1240 C 0 0 0
- 3.0959 1.2940 0.0032 N 0 3 0
- -3.1845 1.9498 -0.9727 O 0 0 0
- -3.3730 -2.5249 0.0979 C 0 0 0
- 0.8042 -3.2579 -0.0733 C 0 0 0
- 3.0567 -2.4296 -0.1287 C 0 0 0
- 3.7303 1.1432 1.0320 O 0 0 0
- 3.6575 1.2192 -1.0750 O 0 5 0
- 2.1604 -3.4890 -0.1299 C 0 0 0
- -2.7745 3.4390 0.0000 H 0 0 0
- -0.5100 4.1143 0.0000 H 0 0 0
- -4.5924 1.2919 0.0000 H 0 0 0
- -4.8848 -1.0541 0.0000 H 0 0 0
- -1.6557 -3.7377 0.0000 H 0 0 0
- 3.2859 -0.3369 0.0000 H 0 0 0
- 1.8747 3.6585 0.0000 H 0 0 0
- -4.0416 -3.3299 0.0000 H 0 0 0
- 0.1345 -4.0620 0.0000 H 0 0 0
- 4.0856 -2.6205 0.0000 H 0 0 0
- 2.5191 -4.4721 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 9 18 1 0
- 12 19 2 0
- 13 20 1 0
- 15 21 2 0
- 17 22 2 0
- 17 23 1 0
- 20 24 2 0
- 7 13 2 0
- 9 11 1 0
- 10 16 1 0
- 11 18 1 0
- 14 19 1 0
- 21 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 24 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.3426 0.2131 -0.0329 C 0 0 0
- 1.2759 -1.1985 -0.0078 C 0 0 0
- 2.7064 0.7142 0.0215 C 0 0 0
- 0.1155 0.9106 -0.0994 C 0 0 0
- 2.9818 -1.6714 0.0822 S 0 0 0
- 0.0759 -1.8762 -0.0510 C 0 0 0
- 3.7005 -0.1219 0.0852 N 0 0 0
- 2.9416 2.0525 0.0054 O 0 0 0
- -1.0714 0.2191 -0.1366 C 0 0 0
- -1.0976 -1.1744 -0.1205 C 0 0 0
- 4.3589 2.2235 0.0691 C 0 0 0
- -2.2425 0.9075 -0.2001 O 0 0 0
- -3.2912 -0.0630 -0.2260 C 0 0 0
- -4.6434 0.6491 -0.2976 C 0 0 0
- -5.7661 -0.3899 -0.3253 C 0 0 0
- -5.4145 0.3249 0.8610 O 0 0 0
- 0.1099 1.9625 0.0000 H 0 0 0
- 0.0628 -2.9281 0.0000 H 0 0 0
- -2.0175 -1.6847 0.0000 H 0 0 0
- 4.4849 1.1791 0.0000 H 0 0 0
- 5.4033 2.3495 0.0000 H 0 0 0
- 4.2329 3.2679 0.0000 H 0 0 0
- -3.8833 -0.9325 0.0000 H 0 0 0
- -2.4941 -0.7495 0.0000 H 0 0 0
- -4.5978 1.7001 0.0000 H 0 0 0
- -6.8164 -0.3312 0.0000 H 0 0 0
- -5.4099 -1.3797 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 5 7 1 0
- 9 10 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-74-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 73 1 V2000
- 1.5256 2.0795 -0.1847 C 0 0 0
- 0.5691 2.8998 0.2667 O 0 0 0
- 2.8863 2.0803 0.4630 C 0 0 0
- 1.2957 1.3323 -1.1114 O 0 0 0
- -0.5687 2.8992 -0.2747 O 0 0 0
- 3.7851 1.0594 -0.2375 C 0 0 0
- -1.5252 2.0802 0.1788 C 0 0 0
- 5.1666 1.0602 0.4200 C 0 0 0
- -2.8860 2.0794 -0.4688 C 0 0 0
- -1.2970 1.3389 1.1108 O 0 0 0
- 6.0654 0.0392 -0.2805 C 0 0 0
- -3.7849 1.0603 0.2344 C 0 0 0
- 7.4469 0.0400 0.3770 C 0 0 0
- -5.1664 1.0595 -0.4231 C 0 0 0
- 8.3457 -0.9810 -0.3235 C 0 0 0
- -6.0652 0.0405 0.2801 C 0 0 0
- 9.7272 -0.9802 0.3341 C 0 0 0
- -7.4467 0.0397 -0.3774 C 0 0 0
- 10.6260 -2.0011 -0.3664 C 0 0 0
- -8.3456 -0.9794 0.3258 C 0 0 0
- 12.0075 -2.0003 0.2911 C 0 0 0
- -9.7271 -0.9802 -0.3318 C 0 0 0
- 12.9062 -3.0213 -0.4094 C 0 0 0
- -10.6260 -1.9992 0.3715 C 0 0 0
- 14.2878 -3.0205 0.2481 C 0 0 0
- -12.0075 -2.0000 -0.2861 C 0 0 0
- -12.9064 -3.0191 0.4171 C 0 0 0
- -14.2879 -3.0199 -0.2404 C 0 0 0
- 3.7905 2.5527 0.0000 H 0 0 0
- 2.6428 3.0710 0.0000 H 0 0 0
- 2.8809 0.5870 0.0000 H 0 0 0
- 4.0286 0.0687 0.0000 H 0 0 0
- 6.0708 1.5326 0.0000 H 0 0 0
- 4.9231 2.0509 0.0000 H 0 0 0
- -2.6430 3.0702 0.0000 H 0 0 0
- -3.7901 2.5520 0.0000 H 0 0 0
- 5.1612 -0.4332 0.0000 H 0 0 0
- 6.3089 -0.9515 0.0000 H 0 0 0
- -4.0279 0.0695 0.0000 H 0 0 0
- -2.8808 0.5877 0.0000 H 0 0 0
- 8.3511 0.5124 0.0000 H 0 0 0
- 7.2034 1.0307 0.0000 H 0 0 0
- -4.9234 2.0503 0.0000 H 0 0 0
- -6.0705 1.5321 0.0000 H 0 0 0
- 7.4415 -1.4534 0.0000 H 0 0 0
- 8.5892 -1.9717 0.0000 H 0 0 0
- -6.3082 -0.9503 0.0000 H 0 0 0
- -5.1611 -0.4321 0.0000 H 0 0 0
- 10.6314 -0.5078 0.0000 H 0 0 0
- 9.4837 0.0105 0.0000 H 0 0 0
- -7.2037 1.0305 0.0000 H 0 0 0
- -8.3508 0.5123 0.0000 H 0 0 0
- 9.7218 -2.4735 0.0000 H 0 0 0
- 10.8695 -2.9918 0.0000 H 0 0 0
- -8.5886 -1.9702 0.0000 H 0 0 0
- -7.4415 -1.4520 0.0000 H 0 0 0
- 12.9118 -1.5280 0.0000 H 0 0 0
- 11.7640 -1.0096 0.0000 H 0 0 0
- -9.4840 0.0106 0.0000 H 0 0 0
- -10.6312 -0.5075 0.0000 H 0 0 0
- 12.0019 -3.4936 0.0000 H 0 0 0
- 13.1497 -4.0120 0.0000 H 0 0 0
- -10.8691 -2.9900 0.0000 H 0 0 0
- -9.7219 -2.4719 0.0000 H 0 0 0
- 14.2884 -4.0407 0.0000 H 0 0 0
- 15.3080 -3.0199 0.0000 H 0 0 0
- 14.2872 -2.0003 0.0000 H 0 0 0
- -11.7645 -1.0092 0.0000 H 0 0 0
- -12.9116 -1.5274 0.0000 H 0 0 0
- -13.1494 -4.0099 0.0000 H 0 0 0
- -12.0023 -3.4917 0.0000 H 0 0 0
- -14.2885 -1.9997 0.0000 H 0 0 0
- -15.3081 -3.0205 0.0000 H 0 0 0
- -14.2873 -4.0401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 27 28 1 0
- 3 29 1 0
- 3 30 1 0
- 6 31 1 0
- 6 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 24 63 1 0
- 24 64 1 0
- 25 65 1 0
- 25 66 1 0
- 25 67 1 0
- 26 68 1 0
- 26 69 1 0
- 27 70 1 0
- 27 71 1 0
- 28 72 1 0
- 28 73 1 0
- 28 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1070-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.6765 -0.6641 -0.1043 C 0 0 0
- -0.6642 -0.2407 -0.6466 C 0 0 0
- 1.7013 0.3403 0.1785 C 0 0 0
- 0.9268 -1.9552 0.1231 C 0 0 0
- -1.6201 0.0360 0.5156 C 0 0 0
- 1.4720 1.5145 -0.0235 O 0 0 0
- -2.9813 0.4659 -0.0350 C 0 0 0
- 0.0829 0.4544 0.0000 H 0 0 0
- -0.9006 0.7520 0.0000 H 0 0 0
- 2.6757 0.0375 0.0000 H 0 0 0
- 0.1564 -2.6243 0.0000 H 0 0 0
- 1.8915 -2.2879 0.0000 H 0 0 0
- -2.3672 -0.6591 0.0000 H 0 0 0
- -1.3837 -0.9567 0.0000 H 0 0 0
- -2.6740 1.4389 0.0000 H 0 0 0
- -3.9543 0.7732 0.0000 H 0 0 0
- -3.2886 -0.5071 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-226-36-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.3809 -0.2125 -0.0013 C 0 0 0
- -2.8443 -0.3177 -0.0013 C 0 0 0
- -0.7768 1.0699 0.0010 C 0 0 0
- -0.5816 -1.3523 0.0023 C 0 0 0
- -3.6107 0.8691 0.0009 C 0 0 0
- -3.4888 -1.5552 -0.0040 C 0 0 0
- 0.5493 1.1864 0.0007 N 0 0 0
- -1.5857 2.2329 0.0032 C 0 0 0
- 0.8070 -1.1836 0.0021 C 0 0 0
- -2.9318 2.1600 0.0028 C 0 0 0
- -5.0085 0.7837 0.0009 C 0 0 0
- -4.8545 -1.6070 -0.0044 C 0 0 0
- 1.3449 0.1279 -0.0013 C 0 0 0
- 1.6953 -2.3403 0.0062 C 0 0 0
- -5.6106 -0.4415 -0.0013 C 0 0 0
- 2.8053 0.2928 -0.0016 C 0 0 0
- 3.0352 -2.1833 0.0063 C 0 0 0
- 3.6310 -0.8514 -0.0038 C 0 0 0
- 3.3847 1.5637 -0.0002 C 0 0 0
- 5.0237 -0.6908 -0.0041 C 0 0 0
- 4.7452 1.6881 -0.0010 C 0 0 0
- 5.5611 0.5636 -0.0022 C 0 0 0
- -1.0083 -2.3099 0.0000 H 0 0 0
- -2.9281 -2.4410 0.0000 H 0 0 0
- -1.1255 3.1748 0.0000 H 0 0 0
- -3.4978 3.0424 0.0000 H 0 0 0
- -5.5896 1.6562 0.0000 H 0 0 0
- -5.3374 -2.5375 0.0000 H 0 0 0
- 1.2874 -3.3060 0.0000 H 0 0 0
- -6.6571 -0.5037 0.0000 H 0 0 0
- 3.6557 -3.0283 0.0000 H 0 0 0
- 2.7780 2.4187 0.0000 H 0 0 0
- 5.6501 -1.5314 0.0000 H 0 0 0
- 5.1784 2.6428 0.0000 H 0 0 0
- 6.6029 0.6802 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 18 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1817-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.1301 1.1424 -0.0017 C 0 0 0
- -1.8907 -0.0108 -0.0223 C 0 0 0
- 0.2558 1.0581 0.0145 C 0 0 0
- -1.7918 2.4664 -0.0033 N 0 3 0
- -1.2738 -1.2480 -0.0266 C 0 0 0
- 0.8732 -0.1874 0.0101 C 0 0 0
- 1.0280 2.2224 0.0348 N 0 0 0
- -2.6151 2.7368 0.8526 O 0 0 0
- -1.5130 3.2856 -0.8604 O 0 5 0
- 0.1064 -1.3363 -0.0105 C 0 0 0
- -2.0924 -2.4811 -0.0481 N 0 3 0
- 2.7602 -0.3087 0.0328 Br 0 0 0
- -1.5504 -3.5719 -0.0520 O 0 0 0
- -3.3079 -2.4051 -0.0620 O 0 5 0
- -2.9259 0.0517 0.0000 H 0 0 0
- 2.0631 2.1581 0.0000 H 0 0 0
- 0.5661 3.1509 0.0000 H 0 0 0
- 0.5660 -2.2659 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-556-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.3000 -0.0698 -0.5311 C 0 0 0
- -1.5974 -0.6784 0.0050 C 0 0 0
- -1.2786 0.7055 0.1641 O 0 0 0
- 0.8518 -0.4069 0.4179 C 0 0 0
- 2.0635 0.1615 -0.0829 O 0 0 0
- 0.1612 0.8218 0.0000 H 0 0 0
- -2.6012 -0.6736 0.0000 H 0 0 0
- -1.3813 -1.6587 0.0000 H 0 0 0
- 0.3125 -1.2535 0.0000 H 0 0 0
- 1.5145 -1.1608 0.0000 H 0 0 0
- 2.9723 0.5878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4548-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 47 1 V2000
- -4.3095 3.0474 0.1198 C 0 0 0
- -5.0105 1.8231 0.2549 C 0 0 0
- -2.9112 3.0375 -0.0471 C 0 0 0
- -5.0239 4.2558 0.1606 C 0 0 0
- -4.2978 0.6089 0.2205 C 0 0 0
- -6.4053 1.8413 0.4215 C 0 0 0
- -2.2357 1.8619 -0.0786 C 0 0 0
- -2.0363 4.5576 -0.2160 S 0 0 0
- -6.3754 4.2361 0.3287 C 0 0 0
- -2.9133 0.6350 0.0538 C 0 0 0
- -4.9503 -0.5725 0.3485 O 0 0 0
- -7.0653 3.0321 0.4511 C 0 0 0
- -2.1470 4.9165 -1.5864 O 0 0 0
- -2.4460 5.3628 0.8808 O 0 0 0
- -0.5614 4.2620 0.0162 O 0 0 0
- -2.2128 -0.5332 0.0189 N 0 0 0
- -0.9322 -0.5130 -0.1352 N 0 0 0
- -0.2294 -1.6851 -0.1702 C 0 0 0
- -0.8949 -2.9072 -0.0394 C 0 0 0
- 1.1571 -1.6674 -0.3427 C 0 0 0
- -0.1794 -4.0853 -0.0762 C 0 0 0
- 1.8595 -2.8540 -0.3775 C 0 0 0
- 1.8832 -0.3552 -0.4909 C 0 0 0
- 1.1945 -4.0598 -0.2421 C 0 0 0
- -1.0161 -5.6272 0.0891 S 0 0 0
- 1.9692 -5.3518 -0.2807 C 0 0 0
- -1.0142 -6.2084 -1.2076 O 0 0 0
- -0.4863 -6.2303 1.2616 O 0 0 0
- -2.4738 -5.3224 0.4034 O 0 0 0
- 14.0890 1.5464 -0.2441 Na 0 3 0
- 22.6678 2.4837 0.4810 Na 0 3 0
- -4.5159 5.1616 0.0000 H 0 0 0
- -6.9383 0.9499 0.0000 H 0 0 0
- -1.1972 1.8707 0.0000 H 0 0 0
- -6.9027 5.1309 0.0000 H 0 0 0
- -5.4524 -1.4816 0.0000 H 0 0 0
- -8.1038 3.0395 0.0000 H 0 0 0
- -1.9332 -2.9317 0.0000 H 0 0 0
- 2.8979 -2.8382 0.0000 H 0 0 0
- 2.7919 -0.8580 0.0000 H 0 0 0
- 2.3860 0.5535 0.0000 H 0 0 0
- 0.9745 0.1476 0.0000 H 0 0 0
- 1.0785 -5.8859 0.0000 H 0 0 0
- 2.5033 -6.2425 0.0000 H 0 0 0
- 2.8599 -4.8177 0.0000 H 0 0 0
- 0.4569 4.0579 0.0000 H 0 0 0
- -3.4904 -5.1098 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 2 0
- 8 15 1 0
- 10 16 1 0
- 16 17 2 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 19 21 2 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 24 26 1 0
- 25 27 2 0
- 25 28 2 0
- 25 29 1 0
- 7 10 2 0
- 9 12 1 0
- 22 24 2 0
- 4 32 1 0
- 6 33 1 0
- 7 34 1 0
- 9 35 1 0
- 11 36 1 0
- 12 37 1 0
- 19 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 26 43 1 0
- 26 44 1 0
- 26 45 1 0
- 15 46 1 0
- 29 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135086-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -3.1244 -0.5780 -0.0003 C 0 0 0
- -4.5947 -0.5647 -0.0010 C 0 0 0
- -2.7192 0.7558 0.0011 C 0 0 0
- -2.2103 -1.5609 0.0041 N 0 0 0
- -4.9799 0.7868 0.0000 C 0 0 0
- -5.5661 -1.5661 -0.0024 C 0 0 0
- -3.8388 1.5601 0.0013 N 0 0 0
- -1.3330 1.0411 0.0016 C 0 0 0
- -0.9495 -1.3083 0.0041 N 0 0 0
- -6.3356 1.1075 -0.0007 C 0 0 0
- -6.8906 -1.2295 -0.0027 C 0 0 0
- -0.4658 0.0047 0.0007 N 0 0 0
- -0.9313 2.1930 0.0024 O 0 0 0
- -7.2779 0.1032 -0.0025 C 0 0 0
- 0.9146 0.2443 0.0007 N 0 0 0
- 1.7472 -0.7533 -0.0001 C 0 0 0
- 3.1992 -0.5013 -0.0001 C 0 0 0
- 4.0976 -1.5722 -0.0010 C 0 0 0
- 3.6840 0.8093 -0.0049 C 0 0 0
- 5.4546 -1.3293 -0.0009 C 0 0 0
- 5.0438 1.0381 -0.0047 C 0 0 0
- 5.9285 -0.0275 0.0001 C 0 0 0
- 7.6389 0.2694 0.0008 Cl 0 0 0
- -5.2828 -2.5667 0.0000 H 0 0 0
- -3.8246 2.6000 0.0000 H 0 0 0
- -6.6354 2.1033 0.0000 H 0 0 0
- -7.6134 -1.9772 0.0000 H 0 0 0
- -8.2892 0.3457 0.0000 H 0 0 0
- 1.3889 -1.7296 0.0000 H 0 0 0
- 3.7431 -2.5499 0.0000 H 0 0 0
- 3.0207 1.6103 0.0000 H 0 0 0
- 6.1241 -2.1251 0.0000 H 0 0 0
- 5.4059 2.0130 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 2 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 14 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7119-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.1545 0.0936 -0.5512 C 0 0 0
- -1.1676 -0.3264 -0.0803 N 0 3 0
- 0.5766 1.6850 0.1836 Cl 0 0 0
- 1.3825 -1.1355 -0.0694 Cl 0 0 0
- -1.2917 -1.3706 0.5344 O 0 0 0
- -2.1427 0.3686 -0.3034 O 0 5 0
- -0.5987 0.8113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 1 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-817-99-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.9118 -0.1396 -0.0009 C 0 0 0
- -0.3665 0.2877 -0.0002 N 0 0 0
- 1.9615 0.7895 0.0003 C 0 0 0
- 1.1550 -1.3337 0.0025 O 0 0 0
- -1.4634 -0.6833 -0.0014 C 0 0 0
- 3.1470 0.3932 -0.0004 N 0 3 0
- -2.7813 0.0477 -0.0002 C 0 0 0
- 4.2130 0.0368 -0.0010 N 0 5 0
- -3.9367 -0.6461 -0.0011 N 0 0 0
- -2.8021 1.2603 0.0015 O 0 0 0
- -0.5683 1.2781 0.0000 H 0 0 0
- 1.7597 1.7799 0.0000 H 0 0 0
- -2.0504 -1.5061 0.0000 H 0 0 0
- -0.7122 -1.3596 0.0000 H 0 0 0
- -4.8206 -0.1558 0.0000 H 0 0 0
- -3.9193 -1.6567 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 6 8 2 0
- 7 9 1 0
- 7 10 2 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-73-31-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- -1.0667 -0.5844 0.2701 C 0 0 0
- -1.9710 -1.5083 -0.2830 C 0 0 0
- 0.1668 -1.3306 0.5307 C 0 0 0
- -1.4552 0.7433 0.4624 C 0 0 0
- -1.3215 -2.7231 -0.3480 N 0 0 0
- -3.2483 -1.0881 -0.6392 C 0 0 0
- -0.0501 -2.5968 0.1410 C 0 0 0
- 1.4383 -0.7808 1.1239 C 0 0 0
- -2.7287 1.1395 0.1067 C 0 0 0
- -3.6190 0.2242 -0.4493 C 0 0 0
- 2.3448 -0.2694 0.0025 C 0 0 0
- -3.1126 2.4310 0.2916 O 0 0 0
- 3.5810 0.2650 0.5792 N 0 0 0
- -4.4629 2.5300 -0.1655 C 0 0 0
- 4.5349 0.7741 -0.2254 C 0 0 0
- 5.8064 1.3239 0.3679 C 0 0 0
- 4.3699 0.7898 -1.4268 O 0 0 0
- -0.7355 1.4509 0.0000 H 0 0 0
- -1.7968 -3.6134 0.0000 H 0 0 0
- -3.9770 -1.7864 0.0000 H 0 0 0
- 0.6379 -3.3352 0.0000 H 0 0 0
- 1.3573 -1.7868 0.0000 H 0 0 0
- 2.2887 -1.3244 0.0000 H 0 0 0
- -4.5974 0.4721 0.0000 H 0 0 0
- 2.4258 0.7366 0.0000 H 0 0 0
- 1.4944 0.2742 0.0000 H 0 0 0
- 4.0192 -0.6442 0.0000 H 0 0 0
- -4.3891 3.5366 0.0000 H 0 0 0
- -5.4695 2.6038 0.0000 H 0 0 0
- -4.5367 1.5234 0.0000 H 0 0 0
- 6.2070 0.3975 0.0000 H 0 0 0
- 6.7328 1.7245 0.0000 H 0 0 0
- 5.4058 2.2503 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 5 7 1 0
- 9 10 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139-40-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.1487 -0.7233 -0.0521 C 0 0 0
- -0.0002 -1.3890 -0.0026 N 0 0 0
- 1.1456 0.6074 -0.0513 N 0 0 0
- 2.3441 -1.4112 -0.0985 N 0 0 0
- -1.1488 -0.7232 0.0475 C 0 0 0
- 0.0001 1.2676 -0.0013 C 0 0 0
- 3.6104 -0.6764 -0.1530 C 0 0 0
- -1.1453 0.6078 0.0480 N 0 0 0
- -2.3441 -1.4108 0.0994 N 0 0 0
- 0.0004 3.0036 0.0002 Cl 0 0 0
- 4.1102 -0.4155 1.2693 C 0 0 0
- 4.6479 -1.5041 -0.9143 C 0 0 0
- -3.6102 -0.6758 0.1547 C 0 0 0
- -4.1137 -0.4197 -1.2672 C 0 0 0
- -4.6457 -1.5007 0.9216 C 0 0 0
- 2.3459 -2.4071 0.0000 H 0 0 0
- 3.1299 0.1959 0.0000 H 0 0 0
- -2.3461 -2.4067 0.0000 H 0 0 0
- 4.5710 -1.2983 0.0000 H 0 0 0
- 4.9930 0.0453 0.0000 H 0 0 0
- 3.6494 0.4673 0.0000 H 0 0 0
- 4.0268 -2.2826 0.0000 H 0 0 0
- 5.4264 -2.1252 0.0000 H 0 0 0
- 5.2690 -0.7256 0.0000 H 0 0 0
- -3.1343 0.1990 0.0000 H 0 0 0
- -3.6622 0.4679 0.0000 H 0 0 0
- -5.0013 0.0318 0.0000 H 0 0 0
- -4.5652 -1.3073 0.0000 H 0 0 0
- -5.2662 -0.7218 0.0000 H 0 0 0
- -5.4246 -2.1212 0.0000 H 0 0 0
- -4.0252 -2.2796 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 13 14 1 0
- 13 15 1 0
- 6 8 2 0
- 4 16 1 0
- 7 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129-43-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -1.1570 0.3129 0.0415 C 0 0 0
- -0.9242 -1.0765 0.0273 C 0 0 0
- -0.0227 1.2431 0.1975 C 0 0 0
- -2.4598 0.7968 -0.0981 C 0 0 0
- 0.4564 -1.5884 0.1687 C 0 0 0
- -1.9917 -1.9533 -0.1196 C 0 0 0
- 1.3570 0.7350 0.0307 C 0 0 0
- -0.2192 2.4136 0.4598 O 0 0 0
- -3.5150 -0.1000 -0.2499 C 0 0 0
- -2.6961 2.1317 -0.0854 O 0 0 0
- 1.5916 -0.6523 0.0168 C 0 0 0
- 0.6554 -2.7633 0.4063 O 0 0 0
- -3.2808 -1.4592 -0.2522 C 0 0 0
- 2.4232 1.6162 -0.1131 C 0 0 0
- 2.8882 -1.1312 -0.1398 C 0 0 0
- 3.7073 1.1231 -0.2686 C 0 0 0
- 3.9381 -0.2404 -0.2811 C 0 0 0
- -1.8256 -2.9771 0.0000 H 0 0 0
- -4.4900 0.2536 0.0000 H 0 0 0
- -2.8769 3.1530 0.0000 H 0 0 0
- -4.0822 -2.1176 0.0000 H 0 0 0
- 2.2559 2.6398 0.0000 H 0 0 0
- 3.0687 -2.1525 0.0000 H 0 0 0
- 4.5099 1.7800 0.0000 H 0 0 0
- 4.9125 -0.5958 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 14 16 2 0
- 15 17 2 0
- 7 11 2 0
- 9 13 2 0
- 16 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7370 0.1244 0.0036 C 0 0 0
- 0.1201 -0.9582 0.0033 C 0 0 0
- -0.2288 1.4108 0.0017 C 0 0 0
- -2.2011 -0.0920 -0.0003 N 0 3 0
- 1.4944 -0.7541 0.0012 C 0 0 0
- 1.1383 1.6174 -0.0005 C 0 0 0
- -2.9578 0.8624 -0.0001 O 0 0 0
- -2.6493 -1.2245 -0.0037 O 0 5 0
- 2.0013 0.5389 -0.0007 C 0 0 0
- 2.3643 -1.8470 0.0004 N 0 0 0
- 3.4912 0.7651 -0.0035 C 0 0 0
- -0.2616 -1.9228 0.0000 H 0 0 0
- -0.8748 2.2224 0.0000 H 0 0 0
- 1.5163 2.5834 0.0000 H 0 0 0
- 1.9844 -2.8123 0.0000 H 0 0 0
- 3.3902 -1.6933 0.0000 H 0 0 0
- 3.6469 -0.2605 0.0000 H 0 0 0
- 4.5168 0.9208 0.0000 H 0 0 0
- 3.3355 1.7907 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-50-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.0001 -1.0056 -0.0001 N 0 0 0
- -1.1444 -0.3449 0.0001 C 0 0 0
- 1.1444 -0.3450 -0.0001 C 0 0 0
- -1.1445 1.0385 -0.0001 C 0 0 0
- -2.4494 -1.0985 0.0001 C 0 0 0
- 1.1443 1.0389 0.0001 C 0 0 0
- 2.4495 -1.0984 0.0001 C 0 0 0
- 0.0000 1.6994 -0.0001 N 0 0 0
- -2.0230 1.5456 0.0000 H 0 0 0
- -2.9567 -0.2201 0.0000 H 0 0 0
- -3.3278 -1.6058 0.0000 H 0 0 0
- -1.9421 -1.9769 0.0000 H 0 0 0
- 2.0227 1.5462 0.0000 H 0 0 0
- 1.9424 -1.9769 0.0000 H 0 0 0
- 3.3280 -1.6055 0.0000 H 0 0 0
- 2.9566 -0.2199 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-94-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.9780 -0.2858 0.0021 C 0 0 0
- -0.1215 -1.3765 0.0014 C 0 0 0
- -0.4624 1.0020 0.0017 C 0 0 0
- -2.3242 -0.4788 -0.0025 O 0 0 0
- 1.2459 -1.1814 0.0003 C 0 0 0
- 0.9044 1.1989 0.0006 C 0 0 0
- -2.9273 0.8167 -0.0005 C 0 0 0
- 1.7629 0.1072 -0.0002 C 0 0 0
- 3.1481 0.3058 -0.0018 N 0 0 0
- -0.5090 -2.3420 0.0000 H 0 0 0
- -1.1056 1.8197 0.0000 H 0 0 0
- 1.8883 -1.9998 0.0000 H 0 0 0
- 1.2909 2.1648 0.0000 H 0 0 0
- -1.9841 1.2558 0.0000 H 0 0 0
- -3.3664 1.7599 0.0000 H 0 0 0
- -3.8705 0.3776 0.0000 H 0 0 0
- 3.7909 -0.5123 0.0000 H 0 0 0
- 3.5352 1.2715 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-49-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.0643 0.3974 -0.0029 C 0 0 0
- -0.8955 -1.0591 -0.0016 C 0 0 0
- 0.0490 1.2325 -0.0029 C 0 0 0
- -2.3782 0.9295 0.0017 C 0 0 0
- 0.3822 -1.6168 0.0002 C 0 0 0
- -2.0463 -1.8760 -0.0017 C 0 0 0
- 1.3272 0.6757 -0.0016 C 0 0 0
- -3.4463 0.0786 0.0072 C 0 0 0
- -2.5779 2.3075 0.0002 N 0 0 0
- 1.4972 -0.7809 0.0007 C 0 0 0
- -3.2786 -1.3038 -0.0030 C 0 0 0
- 2.4780 1.4927 -0.0011 C 0 0 0
- 2.8055 -1.3111 0.0020 C 0 0 0
- 3.7077 0.9177 0.0007 C 0 0 0
- 3.8696 -0.4682 0.0021 C 0 0 0
- -0.0724 2.2710 0.0000 H 0 0 0
- 0.5031 -2.6554 0.0000 H 0 0 0
- -1.9510 -2.9172 0.0000 H 0 0 0
- -4.4139 0.4749 0.0000 H 0 0 0
- -1.7567 2.9548 0.0000 H 0 0 0
- -3.5490 2.6950 0.0000 H 0 0 0
- -4.1244 -1.9185 0.0000 H 0 0 0
- 2.3840 2.5341 0.0000 H 0 0 0
- 2.9539 -2.3461 0.0000 H 0 0 0
- 4.5557 1.5293 0.0000 H 0 0 0
- 4.8358 -0.8679 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 10 1 0
- 8 11 2 0
- 14 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-13-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 1.9348 0.3567 0.4535 C 0 0 0
- 0.5689 0.7130 0.9813 C 0 0 0
- 2.5134 1.1237 -0.5408 C 0 0 0
- 2.6115 -0.7333 0.9675 C 0 0 0
- -0.4840 0.0028 0.1701 C 0 0 0
- 3.7660 0.7969 -1.0248 C 0 0 0
- 3.8646 -1.0602 0.4833 C 0 0 0
- -1.7832 0.1717 0.4618 O 0 0 0
- -0.1586 -0.7186 -0.7430 O 0 0 0
- 4.4405 -0.2969 -0.5148 C 0 0 0
- -2.7977 -0.5126 -0.3198 C 0 0 0
- -4.1844 -0.1509 0.2160 C 0 0 0
- -4.3933 1.3612 0.1108 C 0 0 0
- -5.2534 -0.8719 -0.6076 C 0 0 0
- 1.0283 1.5621 0.0000 H 0 0 0
- -0.1462 1.3616 0.0000 H 0 0 0
- 2.1963 2.0356 0.0000 H 0 0 0
- 2.0387 -1.5104 0.0000 H 0 0 0
- 4.3400 1.5732 0.0000 H 0 0 0
- 4.1817 -1.9721 0.0000 H 0 0 0
- 5.4049 -0.3422 0.0000 H 0 0 0
- -3.2571 -1.3617 0.0000 H 0 0 0
- -2.0826 -1.1612 0.0000 H 0 0 0
- -4.0219 -1.1026 0.0000 H 0 0 0
- -3.4370 1.4933 0.0000 H 0 0 0
- -4.5254 2.3175 0.0000 H 0 0 0
- -5.3496 1.2291 0.0000 H 0 0 0
- -5.7932 -0.0715 0.0000 H 0 0 0
- -6.0538 -1.4117 0.0000 H 0 0 0
- -4.7136 -1.6723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 7 10 2 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63390-11-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.3349 0.0002 -0.0027 C 0 0 0
- -1.8181 0.0006 -0.0020 C 0 0 0
- 0.3634 1.2052 -0.0687 C 0 0 0
- 0.3627 -1.2044 0.0684 C 0 0 0
- -2.5169 -0.9681 -0.7214 C 0 0 0
- -2.5155 0.9658 0.7225 C 0 0 0
- 1.7431 1.2028 -0.0693 C 0 0 0
- 1.7428 -1.2028 0.0676 C 0 0 0
- -3.8954 -0.9658 -0.7194 C 0 0 0
- -3.8944 0.9643 0.7217 C 0 0 0
- 2.4373 -0.0005 -0.0046 C 0 0 0
- 2.6131 2.7029 -0.1514 Cl 0 0 0
- 2.6121 -2.7028 0.1566 Cl 0 0 0
- -4.5889 0.0013 -0.0008 C 0 0 0
- 3.8350 -0.0009 -0.0057 N 0 0 0
- -5.9852 0.0017 -0.0002 N 0 0 0
- -0.1558 2.1079 0.0000 H 0 0 0
- -0.1569 -2.1069 0.0000 H 0 0 0
- -2.0433 -1.8955 0.0000 H 0 0 0
- -2.0420 1.8933 0.0000 H 0 0 0
- -4.3718 -1.8918 0.0000 H 0 0 0
- -4.3693 1.8911 0.0000 H 0 0 0
- 4.3554 -0.9029 0.0000 H 0 0 0
- 4.3559 0.9008 0.0000 H 0 0 0
- -6.5056 0.9037 0.0000 H 0 0 0
- -6.5061 -0.9000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 14 16 1 0
- 8 11 2 0
- 10 14 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 10 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-585-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.7133 0.1507 0.0106 C 0 0 0
- 0.3422 0.6198 -0.0801 O 0 0 0
- 2.0204 -0.7604 -1.1795 C 0 0 0
- 2.6644 1.3491 -0.0059 C 0 0 0
- 1.9000 -0.6307 1.3127 C 0 0 0
- -0.6763 -0.2622 -0.0347 C 0 0 0
- -2.0642 0.2193 0.0013 C 0 0 0
- -0.4466 -1.4556 -0.0234 O 0 0 0
- -2.3490 1.6991 -0.0126 C 0 0 0
- -3.0696 -0.6514 0.0461 C 0 0 0
- 1.0628 -1.0832 0.0000 H 0 0 0
- 2.3432 -1.7180 0.0000 H 0 0 0
- 2.9780 -0.4376 0.0000 H 0 0 0
- 3.4559 0.7209 0.0000 H 0 0 0
- 3.2926 2.1406 0.0000 H 0 0 0
- 1.8729 1.9773 0.0000 H 0 0 0
- 0.9172 -0.8655 0.0000 H 0 0 0
- 2.1348 -1.6135 0.0000 H 0 0 0
- 2.8828 -0.3959 0.0000 H 0 0 0
- -1.3567 1.8901 0.0000 H 0 0 0
- -2.5400 2.6914 0.0000 H 0 0 0
- -3.3413 1.5081 0.0000 H 0 0 0
- -4.0244 -0.3206 0.0000 H 0 0 0
- -2.8786 -1.6437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 1 0
- 7 10 2 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19660-16-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.1401 0.4952 -0.2010 C 0 0 0
- -1.2083 0.9939 0.3225 C 0 0 0
- 1.2705 1.2515 0.4999 C 0 0 0
- 0.3139 -1.4287 0.1641 Br 0 0 0
- -2.2811 0.2762 -0.3427 O 0 0 0
- 3.0032 0.6107 -0.1728 Br 0 0 0
- -3.5653 0.5506 -0.0387 C 0 0 0
- -4.6510 -0.1757 -0.7119 C 0 0 0
- -3.8253 1.3987 0.7920 O 0 0 0
- -5.9190 0.0952 -0.4118 C 0 0 0
- 0.0244 1.4733 0.0000 H 0 0 0
- -0.6825 1.8267 0.0000 H 0 0 0
- -1.9139 1.6811 0.0000 H 0 0 0
- 1.7963 2.0843 0.0000 H 0 0 0
- 0.5649 1.9387 0.0000 H 0 0 0
- -4.4654 -1.1429 0.0000 H 0 0 0
- -6.2224 1.0322 0.0000 H 0 0 0
- -6.5788 -0.6360 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 2 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 8 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83504-80-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.6290 -0.7800 -0.0097 C 0 0 0
- -1.0138 -1.3920 -0.1863 S 0 0 0
- 1.1992 -0.6737 1.2644 C 0 0 0
- 1.3594 -0.4081 -1.1450 C 0 0 0
- -2.3819 -0.2867 -0.0795 C 0 0 0
- 2.4661 -0.2029 1.4089 C 0 0 0
- 2.6272 0.0644 -1.0171 C 0 0 0
- -3.6806 -0.7826 -0.0878 C 0 0 0
- -2.1652 1.0824 0.0191 C 0 0 0
- 3.2087 0.1800 0.2675 C 0 0 0
- -4.7500 0.0864 -0.0040 C 0 0 0
- -3.2399 1.9456 0.1026 C 0 0 0
- 4.4489 0.6419 0.4009 N 0 0 0
- -4.5305 1.4491 0.0882 C 0 0 0
- 5.0855 0.9707 -0.5841 O 0 0 0
- 1.4724 -1.6607 0.0000 H 0 0 0
- 0.9476 0.5295 0.0000 H 0 0 0
- 2.8799 -1.1397 0.0000 H 0 0 0
- 2.3476 1.0496 0.0000 H 0 0 0
- -3.8426 -1.7938 0.0000 H 0 0 0
- -1.2099 1.4514 0.0000 H 0 0 0
- -5.7069 -0.2785 0.0000 H 0 0 0
- -3.0821 2.9575 0.0000 H 0 0 0
- -5.3258 2.0943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 2 0
- 7 10 1 0
- 12 14 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-70-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 0.6010 -1.0759 -0.2778 C 0 0 0
- -0.7883 -0.5215 0.0439 C 0 0 0
- 1.6339 -0.0007 -0.0589 C 0 0 0
- -0.9032 0.8055 -0.4736 O 0 0 0
- -1.8540 -1.4129 -0.5968 C 0 0 0
- -0.9887 -0.4966 1.5606 C 0 0 0
- 3.1005 -0.3336 -0.1566 C 0 0 0
- 1.2865 1.1277 0.1947 O 0 0 0
- -2.2150 1.2656 -0.1428 C 0 0 0
- 0.0938 -1.9865 0.0000 H 0 0 0
- 1.4390 -1.6957 0.0000 H 0 0 0
- -2.5227 -0.6134 0.0000 H 0 0 0
- -2.6535 -2.0816 0.0000 H 0 0 0
- -1.1853 -2.2124 0.0000 H 0 0 0
- -0.8602 0.5378 0.0000 H 0 0 0
- -2.0231 -0.3681 0.0000 H 0 0 0
- -1.1172 -1.5310 0.0000 H 0 0 0
- 2.8698 -1.3501 0.0000 H 0 0 0
- 4.1170 -0.5643 0.0000 H 0 0 0
- 3.3312 0.6829 0.0000 H 0 0 0
- -1.8700 2.2492 0.0000 H 0 0 0
- -3.1986 1.6106 0.0000 H 0 0 0
- -2.5600 0.2820 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 1 10 1 0
- 1 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-609-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.2348 0.3762 -0.0013 C 0 0 0
- -2.7771 -0.4208 -0.0015 Cl 0 0 0
- -1.1783 1.5880 0.0042 O 0 0 0
- 0.0045 -0.4186 -0.0016 C 0 0 0
- 1.2495 0.2198 -0.0013 C 0 0 0
- -0.0564 -1.8158 0.0037 C 0 0 0
- 1.3389 1.9535 -0.0001 Cl 0 0 0
- 2.4070 -0.5336 -0.0017 C 0 0 0
- 1.1082 -2.5531 0.0034 C 0 0 0
- 2.3369 -1.9147 -0.0022 C 0 0 0
- -0.9815 -2.2991 0.0000 H 0 0 0
- 3.3368 -0.0595 0.0000 H 0 0 0
- 1.0637 -3.5958 0.0000 H 0 0 0
- 3.2149 -2.4789 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 2 0
- 9 10 1 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78415-72-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.1973 -0.1617 -0.0018 C 0 0 0
- -1.6514 0.1317 -0.0011 C 0 0 0
- 0.7295 0.8952 -0.0004 C 0 0 0
- 0.2380 -1.4678 0.0019 C 0 0 0
- -2.3533 0.2801 1.1985 C 0 0 0
- -2.3561 0.2732 -1.2004 C 0 0 0
- 2.0876 0.5946 -0.0007 C 0 0 0
- 1.5492 -1.7748 0.0018 N 0 0 0
- -0.7776 -2.5811 0.0066 C 0 0 0
- -3.7049 0.5530 1.1538 C 0 0 0
- -3.7071 0.5464 -1.1544 C 0 0 0
- 2.4915 -0.8127 -0.0024 C 0 0 0
- 3.0684 1.6379 0.0003 C 0 0 0
- -4.3335 0.6739 0.0001 N 0 0 0
- 3.6731 -1.1115 -0.0026 O 0 0 0
- 3.8466 2.4656 0.0010 N 0 0 0
- 0.4081 1.8765 0.0000 H 0 0 0
- -2.1443 1.2913 0.0000 H 0 0 0
- -2.5601 -0.7390 0.0000 H 0 0 0
- 1.8374 -2.7663 0.0000 H 0 0 0
- -1.5404 -1.8852 0.0000 H 0 0 0
- -1.4735 -3.3439 0.0000 H 0 0 0
- -0.0148 -3.2770 0.0000 H 0 0 0
- -3.5052 1.5661 0.0000 H 0 0 0
- -3.9124 -0.4655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 10 14 2 0
- 12 15 2 0
- 13 16 3 0
- 8 12 1 0
- 11 14 1 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.6063 0.9075 0.0199 C 0 0 0
- -0.5934 1.5471 0.0465 O 0 0 0
- 1.1760 0.5526 -1.1945 C 0 0 0
- 1.2625 0.6151 1.2064 C 0 0 0
- -1.5522 0.5845 0.0291 C 0 0 0
- 2.3941 -0.0969 -1.2224 C 0 0 0
- 2.4810 -0.0346 1.1802 C 0 0 0
- -2.8879 0.9364 -0.1011 C 0 0 0
- -1.1967 -0.7528 0.1359 C 0 0 0
- 3.0491 -0.3951 -0.0344 C 0 0 0
- -3.8608 -0.0444 -0.1190 C 0 0 0
- -2.1733 -1.7292 0.1174 C 0 0 0
- 4.2835 -1.0533 -0.0619 N 0 0 0
- -3.5044 -1.3754 -0.0073 C 0 0 0
- 0.6594 -0.3424 0.0000 H 0 0 0
- 1.7162 1.5436 0.0000 H 0 0 0
- 1.9367 -1.0236 0.0000 H 0 0 0
- 3.0013 0.8583 0.0000 H 0 0 0
- -3.1595 1.9335 0.0000 H 0 0 0
- -0.1988 -1.0213 0.0000 H 0 0 0
- -4.8595 0.2211 0.0000 H 0 0 0
- -1.9049 -2.7271 0.0000 H 0 0 0
- 4.3184 -2.0861 0.0000 H 0 0 0
- 5.1605 -0.5067 0.0000 H 0 0 0
- -4.2345 -2.1068 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 7 10 2 0
- 12 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-30-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.0000 -0.2658 0.0006 C 0 0 0
- -1.2289 0.6170 -0.2259 C 0 0 0
- 1.2289 0.6180 0.2231 C 0 0 0
- -2.4393 -0.2535 -0.4451 C 0 0 0
- 2.4393 -0.2515 0.4463 C 0 0 0
- -3.3840 -0.1735 0.3028 O 0 0 0
- 3.3840 -0.1749 -0.3020 O 0 0 0
- -0.7464 -1.0981 0.0000 H 0 0 0
- 0.7469 -1.0977 0.0000 H 0 0 0
- -0.4825 1.4493 0.0000 H 0 0 0
- -1.9758 1.4489 0.0000 H 0 0 0
- 1.9753 1.4503 0.0000 H 0 0 0
- 0.4820 1.4499 0.0000 H 0 0 0
- -2.1416 -1.3311 0.0000 H 0 0 0
- 2.1400 -1.3287 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 2 0
- 1 8 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33399-00-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 2.6065 0.5890 0.2311 P 0 0 0
- 1.1242 1.1842 0.0296 O 0 0 0
- 2.8968 -0.5218 -0.8976 O 0 0 0
- 3.6843 1.7782 0.1034 O 0 0 0
- 2.7116 -0.0302 1.5712 O 0 0 0
- 0.2583 0.1530 0.2143 C 0 0 0
- 4.2392 -0.9702 -0.7003 C 0 0 0
- 3.3934 2.7128 1.1445 C 0 0 0
- -1.2000 0.4042 0.2251 C 0 0 0
- 0.7224 -1.0838 0.3856 C 0 0 0
- 4.5808 -2.0331 -1.7464 C 0 0 0
- 4.3870 3.8745 1.0793 C 0 0 0
- -1.8698 0.6955 -0.9649 C 0 0 0
- -1.9117 0.3452 1.4230 C 0 0 0
- -0.4785 -2.5427 0.4579 Br 0 0 0
- -3.2306 0.9285 -0.9482 C 0 0 0
- -0.9936 0.7652 -2.4619 Cl 0 0 0
- -3.2714 0.5798 1.4272 C 0 0 0
- -3.9301 0.8735 0.2454 C 0 0 0
- -5.6408 1.1680 0.2592 Cl 0 0 0
- 5.2345 -0.8705 0.0000 H 0 0 0
- 4.3503 0.0239 0.0000 H 0 0 0
- 2.7675 3.4931 0.0000 H 0 0 0
- 2.5103 2.2430 0.0000 H 0 0 0
- 1.7092 -1.2480 0.0000 H 0 0 0
- 3.6284 -2.3392 0.0000 H 0 0 0
- 4.8869 -2.9855 0.0000 H 0 0 0
- 5.5332 -1.7270 0.0000 H 0 0 0
- 5.1472 3.2243 0.0000 H 0 0 0
- 5.0372 4.6347 0.0000 H 0 0 0
- 3.6268 4.5247 0.0000 H 0 0 0
- -1.9558 -0.6542 0.0000 H 0 0 0
- -3.1850 1.9278 0.0000 H 0 0 0
- -3.5624 -0.3773 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 2 0
- 10 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 16 19 1 0
- 19 20 1 0
- 18 19 2 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 14 32 1 0
- 16 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109143-19-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.5409 0.0861 0.3315 C 0 0 0
- -0.8439 0.2843 0.3376 C 0 0 0
- 1.2499 0.1870 1.5206 C 0 0 0
- 1.2048 -0.2170 -0.8619 N 0 0 0
- -1.5085 0.5827 1.5376 C 0 0 0
- -1.8875 0.2577 -0.6941 C 0 0 0
- 0.5859 0.4830 2.7047 C 0 0 0
- 2.5975 -0.0039 1.5266 O 0 0 0
- 2.4168 0.6123 -0.8931 C 0 0 0
- 1.6508 -1.6125 -0.7542 C 0 0 0
- -2.8187 0.7197 1.2459 O 0 0 0
- -0.7793 0.6790 2.7166 C 0 0 0
- -3.0399 0.5283 -0.0669 C 0 0 0
- 2.8406 -1.2099 2.2536 C 0 0 0
- 2.0385 2.0558 -1.2312 C 0 0 0
- 0.4486 -2.5457 -0.9115 C 0 0 0
- -4.3645 0.6064 -0.7236 N 0 3 0
- 3.5262 3.0737 -1.2695 Cl 0 0 0
- 0.9960 -4.2585 -0.7792 Cl 0 0 0
- -5.3570 0.8596 -0.0646 O 0 0 0
- -4.4617 0.4175 -1.9230 O 0 5 0
- -1.9853 -0.6926 0.0000 H 0 0 0
- 0.8508 1.4009 0.0000 H 0 0 0
- 2.8626 -0.2327 0.0000 H 0 0 0
- 3.3072 0.9586 0.0000 H 0 0 0
- 2.1446 -2.4304 0.0000 H 0 0 0
- 2.5207 -1.2175 0.0000 H 0 0 0
- -0.7739 1.6343 0.0000 H 0 0 0
- 1.9041 -1.3987 0.0000 H 0 0 0
- 3.0294 -2.1464 0.0000 H 0 0 0
- 3.7771 -1.0211 0.0000 H 0 0 0
- 1.5927 2.9008 0.0000 H 0 0 0
- 1.1481 1.7095 0.0000 H 0 0 0
- -0.0452 -1.7278 0.0000 H 0 0 0
- -0.4213 -2.9407 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 2 0
- 17 21 1 0
- 7 12 2 0
- 11 13 1 0
- 6 22 1 0
- 7 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84174-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.1739 -0.7298 -0.5255 C 0 0 0
- 0.6644 -1.7110 -0.0300 C 0 0 0
- 0.2931 0.5607 -0.6957 C 0 0 0
- -1.5973 -1.0684 -0.8867 C 0 0 0
- 1.9714 -1.4044 0.2966 C 0 0 0
- 1.5989 0.8723 -0.3707 C 0 0 0
- -2.5120 -0.3191 -0.0219 N 0 0 0
- 2.4423 -0.1107 0.1268 C 0 0 0
- -2.8225 0.8987 -0.3129 N 0 0 0
- -3.0742 -0.9527 1.1734 C 0 0 0
- 3.7273 0.1935 0.4477 O 0 0 0
- -3.5830 1.5218 0.4061 O 0 0 0
- 3.9058 1.5828 0.1649 C 0 0 0
- 0.3560 -2.6521 0.0000 H 0 0 0
- -0.3666 1.2994 0.0000 H 0 0 0
- -2.3751 -1.6815 0.0000 H 0 0 0
- -1.1661 -1.9600 0.0000 H 0 0 0
- 2.6289 -2.1450 0.0000 H 0 0 0
- 1.9045 1.8143 0.0000 H 0 0 0
- -3.8150 -0.2954 0.0000 H 0 0 0
- -3.7315 -1.6935 0.0000 H 0 0 0
- -2.3334 -1.6100 0.0000 H 0 0 0
- 4.8881 1.4566 0.0000 H 0 0 0
- 4.0320 2.5651 0.0000 H 0 0 0
- 2.9235 1.7090 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 2 0
- 11 13 1 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-90-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -2.1692 0.4494 -0.4103 C 0 0 0
- -3.4051 -0.4521 -0.3806 C 0 0 0
- -3.0228 0.3588 0.7322 O 0 0 0
- -0.9154 -0.3962 -0.1785 C 0 0 0
- 0.2574 0.4593 -0.2066 O 0 0 0
- 1.4831 -0.0711 -0.0241 C 0 0 0
- 2.6701 0.7948 -0.0526 C 0 0 0
- 1.6066 -1.2654 0.1640 O 0 0 0
- 3.8802 0.2711 0.1276 C 0 0 0
- -1.9274 1.4214 0.0000 H 0 0 0
- -4.4033 -0.3684 0.0000 H 0 0 0
- -3.1348 -1.4166 0.0000 H 0 0 0
- -1.5676 -1.1564 0.0000 H 0 0 0
- -0.2356 -1.1319 0.0000 H 0 0 0
- 2.5592 1.7903 0.0000 H 0 0 0
- 3.9953 -0.7239 0.0000 H 0 0 0
- 4.6844 0.8683 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 2 0
- 2 3 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13071-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- 1.6097 0.1476 -0.0343 P 0 0 0
- -0.0313 -0.0273 1.2965 S 0 0 0
- 2.9672 0.3396 0.8099 O 0 0 0
- 1.7188 -1.1859 -0.9299 O 0 0 0
- 1.3548 1.6224 -1.1444 S 0 0 0
- -1.4059 0.0936 0.1191 C 0 0 0
- 3.9684 0.7760 -0.1116 C 0 0 0
- 1.8056 -2.2867 -0.0229 C 0 0 0
- -2.9798 -0.0294 1.0125 S 0 0 0
- 5.2910 0.9784 0.6305 C 0 0 0
- 1.9122 -3.5920 -0.8139 C 0 0 0
- -4.1411 0.1183 -0.3732 C 0 0 0
- -5.5756 0.0398 0.1529 C 0 0 0
- -3.9283 1.4607 -1.0760 C 0 0 0
- -3.8986 -1.0208 -1.3654 C 0 0 0
- -0.8720 0.9526 0.0000 H 0 0 0
- -1.9314 0.9578 0.0000 H 0 0 0
- 4.2531 1.7465 0.0000 H 0 0 0
- 3.2097 1.4449 0.0000 H 0 0 0
- 0.8922 -1.8523 0.0000 H 0 0 0
- 0.9732 -2.8613 0.0000 H 0 0 0
- 5.4440 -0.0214 0.0000 H 0 0 0
- 6.2908 1.1314 0.0000 H 0 0 0
- 5.1380 1.9782 0.0000 H 0 0 0
- 0.9041 -3.6743 0.0000 H 0 0 0
- 1.9945 -4.6001 0.0000 H 0 0 0
- 2.9203 -3.5097 0.0000 H 0 0 0
- -5.6309 1.0497 0.0000 H 0 0 0
- -6.5855 -0.0155 0.0000 H 0 0 0
- -5.5203 -0.9701 0.0000 H 0 0 0
- -2.9293 1.3023 0.0000 H 0 0 0
- -3.7699 2.4597 0.0000 H 0 0 0
- -4.9273 1.6191 0.0000 H 0 0 0
- -4.8879 -1.2314 0.0000 H 0 0 0
- -3.6880 -2.0101 0.0000 H 0 0 0
- -2.9093 -0.8102 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 14 33 1 0
- 15 34 1 0
- 15 35 1 0
- 15 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 15 1 V2000
- 0.1693 0.7184 -0.0025 C 0 0 0
- 0.1980 -0.6870 -0.0001 C 0 0 0
- 1.4819 1.1263 -0.0018 N 0 0 0
- -1.0505 1.3867 0.0001 C 0 0 0
- 1.4904 -1.0699 0.0020 N 0 0 0
- -1.0114 -1.3949 -0.0006 C 0 0 0
- 2.2613 -0.0400 0.0011 N 0 0 0
- -2.2161 0.6732 0.0050 C 0 0 0
- -2.1945 -0.7157 -0.0034 C 0 0 0
- 1.8277 2.1033 0.0000 H 0 0 0
- -1.0754 2.4227 0.0000 H 0 0 0
- -1.0070 -2.4312 0.0000 H 0 0 0
- -3.1241 1.1728 0.0000 H 0 0 0
- -3.0873 -1.2419 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 5 7 2 0
- 8 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-321-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.8448 0.2305 -0.0546 C 0 0 0
- -0.6370 0.3023 -0.0679 C 0 0 0
- 1.5747 1.0124 0.8382 C 0 0 0
- 1.5116 -0.6236 -0.9312 C 0 0 0
- -1.3960 -0.8399 0.1899 C 0 0 0
- -1.2764 1.5117 -0.3321 C 0 0 0
- 2.9533 0.9413 0.8465 C 0 0 0
- 2.8900 -0.6866 -0.9142 C 0 0 0
- -2.7767 -0.7658 0.1758 C 0 0 0
- -0.7834 -2.0152 0.4520 F 0 0 0
- -2.6550 1.5730 -0.3433 C 0 0 0
- 3.6099 0.0959 -0.0292 C 0 0 0
- -3.4037 0.4367 -0.0929 C 0 0 0
- 1.1912 1.9611 0.0000 H 0 0 0
- 1.0420 -1.5328 0.0000 H 0 0 0
- -0.7290 2.3763 0.0000 H 0 0 0
- 3.4267 1.8485 0.0000 H 0 0 0
- 3.2797 -1.6328 0.0000 H 0 0 0
- -3.3305 -1.6263 0.0000 H 0 0 0
- -3.1202 2.4845 0.0000 H 0 0 0
- 4.6323 0.0532 0.0000 H 0 0 0
- -4.4257 0.4889 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 2 0
- 8 12 1 0
- 11 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.7661 0.5749 -0.0028 C 0 0 0
- -1.1356 -0.7936 -0.0005 C 0 0 0
- 0.5954 0.9210 -0.0024 C 0 0 0
- -1.7692 1.5595 0.0004 C 0 0 0
- -0.1332 -1.7782 0.0018 C 0 0 0
- -2.4979 -1.1392 -0.0009 C 0 0 0
- 1.5402 -0.0606 0.0002 C 0 0 0
- -3.0781 1.1871 0.0057 C 0 0 0
- 1.1761 -1.4067 0.0017 C 0 0 0
- -3.4415 -0.1585 -0.0035 C 0 0 0
- 3.2218 0.3707 0.0001 Cl 0 0 0
- 0.8833 1.9305 0.0000 H 0 0 0
- -1.5101 2.5767 0.0000 H 0 0 0
- -0.3929 -2.7953 0.0000 H 0 0 0
- -2.7861 -2.1486 0.0000 H 0 0 0
- -3.8253 1.9244 0.0000 H 0 0 0
- 1.9229 -2.1444 0.0000 H 0 0 0
- -4.4583 -0.4194 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-34592-47-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.3309 0.0394 0.5069 C 0 0 2
- -1.7446 0.0052 -0.0140 C 0 0 0
- 0.4479 1.1880 -0.1863 C 0 0 0
- 0.3224 -1.2557 0.2412 N 0 0 0
- -2.7023 0.7208 0.5964 O 0 0 0
- -2.0160 -0.6664 -0.9810 O 0 0 0
- 2.1539 0.4932 -0.2217 S 0 0 0
- 1.7878 -1.1569 0.5161 C 0 0 0
- -0.8455 0.9824 0.0000 H 0 0 0
- 0.9214 2.1523 0.0000 H 0 0 0
- -0.4811 1.7275 0.0000 H 0 0 0
- -0.2096 -2.1889 0.0000 H 0 0 0
- -3.5629 1.3638 0.0000 H 0 0 0
- 1.7578 -2.2307 0.0000 H 0 0 0
- 2.8539 -1.2888 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 7 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2634-33-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.1692 0.5828 0.0020 C 0 0 0
- -0.4722 -0.7983 0.0007 C 0 0 0
- 1.2608 0.8457 0.0011 C 0 0 0
- -1.2632 1.4762 -0.0016 C 0 0 0
- -1.7716 -1.2598 0.0019 C 0 0 0
- 1.1311 -1.5532 -0.0015 S 0 0 0
- 2.1009 -0.1470 -0.0007 N 0 0 0
- 1.7182 2.1252 0.0017 O 0 0 0
- -2.5378 1.0017 -0.0060 C 0 0 0
- -2.8060 -0.3618 0.0044 C 0 0 0
- -1.0928 2.5044 0.0000 H 0 0 0
- -1.9652 -2.2839 0.0000 H 0 0 0
- 2.0690 3.1066 0.0000 H 0 0 0
- -3.3320 1.6766 0.0000 H 0 0 0
- -3.7917 -0.7003 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 7 1 0
- 9 10 1 0
- 4 11 1 0
- 5 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2008-39-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -2.1976 -0.2259 0.0492 C 0 0 0
- -3.1710 0.7065 -0.2839 C 0 0 0
- -0.9497 0.2005 0.4775 C 0 0 0
- -2.4695 -1.5550 -0.0392 O 0 0 0
- -2.8940 2.0572 -0.1878 C 0 0 0
- -4.7347 0.1763 -0.8200 Cl 0 0 0
- -0.6769 1.5519 0.5722 C 0 0 0
- -1.2859 -2.2464 0.3645 C 0 0 0
- -1.6476 2.4798 0.2400 C 0 0 0
- -1.5220 -3.7329 0.2888 C 0 0 0
- -1.3018 4.1768 0.3600 Cl 0 0 0
- -2.6073 -4.1619 -0.0783 O 0 0 0
- -0.6282 -4.5106 0.5943 O 0 0 0
- 12.5070 -0.5558 -0.2697 N 0 0 0
- 11.4771 0.4307 -0.6221 C 0 0 0
- 13.6965 0.2034 0.1389 C 0 0 0
- -0.1770 -0.4777 0.0000 H 0 0 0
- -3.6648 2.7375 0.0000 H 0 0 0
- 0.3039 1.8600 0.0000 H 0 0 0
- -0.2982 -2.5317 0.0000 H 0 0 0
- -0.8809 -1.3015 0.0000 H 0 0 0
- 13.1273 -1.3757 0.0000 H 0 0 0
- 12.1882 1.1731 0.0000 H 0 0 0
- 10.7347 1.1418 0.0000 H 0 0 0
- 10.7660 -0.3117 0.0000 H 0 0 0
- 14.2496 -0.6632 0.0000 H 0 0 0
- 14.5631 0.7565 0.0000 H 0 0 0
- 13.1434 1.0700 0.0000 H 0 0 0
- 0.1474 -5.1854 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 1 0
- 14 15 1 0
- 14 16 1 0
- 7 9 2 0
- 3 17 1 0
- 5 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5064-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 21 1 V2000
- -5.9073 0.0065 -0.3587 N 0 0 0
- -6.2663 -1.3251 -0.8644 C 0 0 0
- -4.7456 0.4550 -1.1380 C 0 0 0
- -7.0187 0.9030 -0.7038 C 0 0 0
- -6.9444 -2.1112 0.2280 C 0 0 0
- -3.4787 0.0527 -0.4279 C 0 0 0
- -7.0326 2.0740 0.2446 C 0 0 0
- -7.4384 -3.2026 -0.0202 O 0 0 0
- -7.0009 -1.6580 1.3630 O 0 0 0
- -3.5382 -0.5581 0.6304 O 0 0 0
- -2.3907 0.3369 -0.9099 O 0 0 0
- -6.1710 2.1726 1.1075 O 0 0 0
- -7.9055 2.9262 0.1516 O 0 0 0
- 6.7124 -0.0570 -0.2155 Na 0 3 0
- 15.3700 -0.0137 -0.0024 Na 0 3 0
- 24.0275 0.0296 0.2107 Na 0 3 0
- -5.8522 -2.1111 0.0000 H 0 0 0
- -5.3833 -1.2269 0.0000 H 0 0 0
- -4.2397 1.1853 0.0000 H 0 0 0
- -5.2950 1.1531 0.0000 H 0 0 0
- -7.8860 1.0954 0.0000 H 0 0 0
- -7.4040 0.1025 0.0000 H 0 0 0
- -7.1108 -0.7764 0.0000 H 0 0 0
- -1.5311 0.5614 0.0000 H 0 0 0
- -8.5412 3.5468 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 2 0
- 7 13 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 9 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97509-27-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.6932 -0.4145 0.1783 C 0 0 0
- -0.6295 -0.8053 0.0889 C 0 0 0
- 1.0414 0.9507 0.1682 C 0 0 0
- 1.7679 -1.4252 0.2800 C 0 0 0
- -1.6311 0.1726 -0.0147 C 0 0 0
- -0.9865 -2.2419 0.1018 N 0 3 0
- 0.0860 1.9086 0.0660 C 0 0 0
- 2.4948 1.3374 0.2732 C 0 0 2
- 3.0149 -1.0839 -0.0113 C 0 0 0
- -1.2696 1.5436 -0.0284 C 0 0 0
- -2.9886 -0.1839 -0.1049 C 0 0 0
- -1.2130 -2.8037 1.1585 O 0 0 0
- -1.0536 -2.8622 -0.9443 O 0 5 0
- 3.3574 0.3076 -0.4531 C 0 0 1
- 2.8750 1.3914 1.6496 O 0 0 0
- -2.2758 2.5185 -0.1352 C 0 0 0
- -3.9350 0.7887 -0.2061 C 0 0 0
- 3.1479 0.4196 -1.8622 O 0 0 0
- -3.5794 2.1361 -0.2216 C 0 0 0
- 1.5156 -2.4394 0.0000 H 0 0 0
- 0.3566 2.9181 0.0000 H 0 0 0
- 2.2866 2.3616 0.0000 H 0 0 0
- 3.7634 -1.8133 0.0000 H 0 0 0
- -3.2685 -1.1909 0.0000 H 0 0 0
- 4.3755 0.5438 0.0000 H 0 0 0
- 3.9098 1.5384 0.0000 H 0 0 0
- -2.0252 3.5332 0.0000 H 0 0 0
- -4.9459 0.5232 0.0000 H 0 0 0
- 2.2262 0.9123 0.0000 H 0 0 0
- -4.3285 2.8650 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 2 0
- 14 18 1 0
- 16 19 2 0
- 7 10 1 0
- 9 14 1 0
- 17 19 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5355-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.6288 -0.1862 1.1386 C 0 0 0
- -0.6864 -0.0358 1.8589 C 0 0 0
- 1.1724 0.8907 0.4634 C 0 0 0
- 1.2918 -1.3992 1.1592 C 0 0 0
- -1.8183 -0.2073 0.8788 C 0 0 0
- 2.3818 0.7543 -0.1990 C 0 0 0
- 2.4987 -1.5421 0.5004 C 0 0 0
- -2.5789 0.8895 0.4671 C 0 0 0
- -2.1234 -1.4514 0.3631 C 0 0 0
- 3.0465 -0.4681 -0.1826 C 0 0 0
- 2.9178 1.8126 -0.8640 O 0 0 0
- -3.5689 0.6991 -0.3989 N 0 0 0
- -2.3051 2.1572 0.9539 N 0 0 0
- -3.1245 -1.5689 -0.4971 N 0 0 0
- 4.2337 -0.6070 -0.8313 O 0 0 0
- 2.0130 2.9061 -0.6976 C 0 0 0
- -3.8327 -0.5120 -0.8663 C 0 0 0
- 4.6578 -1.9570 -0.6319 C 0 0 0
- -4.8705 -0.6764 -1.7670 N 0 0 0
- -0.2054 0.7499 0.0000 H 0 0 0
- -1.1958 0.7318 0.0000 H 0 0 0
- 0.7344 1.7011 0.0000 H 0 0 0
- 0.7760 -2.1625 0.0000 H 0 0 0
- 2.9328 -2.3546 0.0000 H 0 0 0
- -1.5135 -2.1418 0.0000 H 0 0 0
- -1.4280 2.4390 0.0000 H 0 0 0
- -2.9877 2.7758 0.0000 H 0 0 0
- 2.7227 3.4934 0.0000 H 0 0 0
- 1.4257 3.6158 0.0000 H 0 0 0
- 1.3033 2.3188 0.0000 H 0 0 0
- 3.7789 -2.2331 0.0000 H 0 0 0
- 4.9339 -2.8359 0.0000 H 0 0 0
- 5.5367 -1.6809 0.0000 H 0 0 0
- -5.4503 0.0395 0.0000 H 0 0 0
- -5.2006 -1.5364 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 15 18 1 0
- 17 19 1 0
- 7 10 1 0
- 14 17 2 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 7 24 1 0
- 9 25 1 0
- 13 26 1 0
- 13 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98451-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.5138 0.3782 -0.1852 C 0 0 0
- -0.4326 -0.6184 -0.0482 C 0 0 0
- 1.8652 0.0637 -0.1236 C 0 0 0
- 0.0806 1.8044 -0.4075 C 0 0 0
- -0.0360 -1.9280 0.1505 C 0 0 0
- -1.8729 -0.2842 -0.1137 N 0 3 0
- 2.2602 -1.2533 0.0757 C 0 0 0
- 2.8249 1.0691 -0.2613 N 0 0 0
- -0.0758 2.4568 0.8542 O 0 0 0
- 1.3089 -2.2447 0.2123 C 0 0 0
- -2.5914 -0.4954 0.8469 O 0 0 0
- -2.3398 0.2022 -1.1281 O 0 5 0
- -0.9135 2.0779 0.0000 H 0 0 0
- -0.6387 1.0658 0.0000 H 0 0 0
- -0.7418 -2.6796 0.0000 H 0 0 0
- 3.2625 -1.4951 0.0000 H 0 0 0
- 3.8267 0.8255 0.0000 H 0 0 0
- 2.5350 2.0585 0.0000 H 0 0 0
- -0.3162 3.4594 0.0000 H 0 0 0
- 1.6011 -3.2334 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 10 2 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-626-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0001 -0.6790 -0.0004 C 0 0 0
- -1.2051 0.0210 -0.0003 C 0 0 0
- 1.2051 0.0211 -0.0003 C 0 0 0
- -1.1975 1.4185 0.0000 C 0 0 0
- -2.4481 -0.6899 0.0000 C 0 0 0
- 1.1977 1.4182 0.0000 C 0 0 0
- 2.4481 -0.6899 0.0001 C 0 0 0
- -0.0001 2.1055 0.0002 C 0 0 0
- -3.4342 -1.2539 0.0003 N 0 0 0
- 3.4342 -1.2540 0.0003 N 0 0 0
- -0.0001 -1.7243 0.0000 H 0 0 0
- -2.1006 1.9448 0.0000 H 0 0 0
- 2.1008 1.9444 0.0000 H 0 0 0
- -0.0001 3.1508 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 3 0
- 7 10 3 0
- 6 8 1 0
- 1 11 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28322-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.0972 0.6300 -0.1617 C 0 0 0
- -1.2670 -0.2794 -0.1012 C 0 0 0
- -0.5138 1.9383 0.0651 C 0 0 0
- 1.2613 0.3719 -0.3919 C 0 0 0
- -2.4164 0.4606 0.1637 C 0 0 0
- -1.3650 -1.6633 -0.2611 C 0 0 0
- -2.0067 1.9080 0.2845 C 0 0 0
- 0.4002 2.9706 0.0583 C 0 0 0
- 2.1704 1.4190 -0.3976 C 0 0 0
- 1.6980 -0.9365 -0.6156 N 0 0 0
- -3.6392 -0.1680 0.2670 C 0 0 0
- -2.5924 -2.2833 -0.1560 C 0 0 0
- 1.7404 2.7127 -0.1745 C 0 0 0
- 2.6813 -1.4579 0.1445 C 0 0 0
- -3.7287 -1.5395 0.1075 C 0 0 0
- 3.2422 -2.8188 -0.1787 C 0 0 0
- 3.1149 -0.8318 1.0885 O 0 0 0
- -0.5062 -2.2344 0.0000 H 0 0 0
- -1.9259 2.9362 0.0000 H 0 0 0
- -3.0219 2.0897 0.0000 H 0 0 0
- 0.0680 3.9469 0.0000 H 0 0 0
- 3.1818 1.2171 0.0000 H 0 0 0
- 0.9110 -1.6030 0.0000 H 0 0 0
- -4.5015 0.3977 0.0000 H 0 0 0
- -2.6500 -3.3130 0.0000 H 0 0 0
- 2.4204 3.4881 0.0000 H 0 0 0
- -4.6514 -2.0001 0.0000 H 0 0 0
- 2.2887 -3.2118 0.0000 H 0 0 0
- 3.6352 -3.7723 0.0000 H 0 0 0
- 4.1957 -2.4258 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 10 14 1 0
- 11 15 2 0
- 14 16 1 0
- 14 17 2 0
- 5 7 1 0
- 9 13 2 0
- 12 15 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22181-94-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 3.0051 -0.5057 0.0003 S 0 0 0
- 1.5053 0.5076 0.0012 C 0 0 0
- 4.5893 0.2655 0.0012 C 0 0 0
- 0.2751 -0.4022 0.0002 C 0 0 0
- 5.7647 -0.5055 0.0006 C 0 0 0
- 4.7011 1.5908 -0.0031 N 0 0 0
- -0.9926 0.4543 0.0009 C 0 0 0
- 6.9987 0.1664 0.0008 C 0 0 0
- 6.0331 -1.8331 -0.0003 N 0 0 0
- 5.8840 2.1770 -0.0029 C 0 0 0
- -2.2227 -0.4555 -0.0001 C 0 0 0
- 7.9615 -0.8109 0.0001 N 0 0 0
- 7.0105 1.4956 0.0010 N 0 0 0
- 7.3218 -2.0147 -0.0005 C 0 0 0
- -3.4715 0.3881 0.0006 C 0 0 0
- -4.6833 -0.2018 -0.0001 N 0 0 0
- -3.3860 1.5979 0.0018 O 0 0 0
- -5.8972 0.6183 0.0006 C 0 0 0
- -7.1088 -0.2778 -0.0003 C 0 0 0
- -8.3397 0.2577 0.0001 O 0 0 0
- -6.9723 -1.4783 -0.0015 O 0 0 0
- -9.5071 -0.6057 -0.0009 C 0 0 0
- -10.7748 0.2508 -0.0002 C 0 0 0
- 2.1821 1.2991 0.0000 H 0 0 0
- 0.7954 1.2695 0.0000 H 0 0 0
- -0.4017 -1.1936 0.0000 H 0 0 0
- 0.9850 -1.1641 0.0000 H 0 0 0
- -0.3158 1.2458 0.0000 H 0 0 0
- -1.7025 1.2162 0.0000 H 0 0 0
- 5.9277 3.2174 0.0000 H 0 0 0
- -2.8994 -1.2470 0.0000 H 0 0 0
- -1.5128 -1.2174 0.0000 H 0 0 0
- 8.9920 -0.6607 0.0000 H 0 0 0
- 7.7945 -2.9426 0.0000 H 0 0 0
- -4.7567 -1.2406 0.0000 H 0 0 0
- -5.2204 1.4098 0.0000 H 0 0 0
- -6.6071 1.3802 0.0000 H 0 0 0
- -10.1839 -1.3972 0.0000 H 0 0 0
- -8.7972 -1.3676 0.0000 H 0 0 0
- -10.1918 1.1137 0.0000 H 0 0 0
- -11.6377 0.8338 0.0000 H 0 0 0
- -11.3578 -0.6121 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 1 0
- 13 8 2 0
- 14 9 2 0
- 15 11 1 0
- 16 15 1 0
- 17 15 2 0
- 18 16 1 0
- 19 18 1 0
- 20 19 1 0
- 21 19 2 0
- 22 20 1 0
- 23 22 1 0
- 10 13 1 0
- 12 14 1 0
- 2 24 1 0
- 2 25 1 0
- 4 26 1 0
- 4 27 1 0
- 7 28 1 0
- 7 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -2.2151 -0.6923 0.1274 C 0 0 0
- -3.3300 -1.4748 0.4517 C 0 0 0
- -2.3881 0.6504 -0.2284 C 0 0 0
- -0.8674 -1.2771 0.1664 C 0 0 0
- -4.5894 -0.9208 0.4192 C 0 0 0
- -3.6522 1.1948 -0.2578 C 0 0 0
- 0.2067 -0.5200 -0.1470 C 0 0 0
- -4.7557 0.4135 0.0651 C 0 0 0
- 1.5069 -1.0841 -0.1094 C 0 0 0
- -6.0000 0.9551 0.0345 O 0 0 0
- 2.5797 -0.3280 -0.4224 O 0 0 0
- 1.6553 -2.2499 0.2050 O 0 0 0
- -5.8466 2.3203 -0.3589 C 0 0 0
- 3.7287 -1.1676 -0.2932 C 0 0 0
- 4.9866 -0.3670 -0.6359 C 0 0 0
- 5.1038 0.7417 0.2580 O 0 0 0
- 6.2910 1.4463 -0.1113 C 0 0 0
- 6.4764 2.6521 0.8121 C 0 0 0
- -3.2294 -2.4895 0.0000 H 0 0 0
- -1.5740 1.2644 0.0000 H 0 0 0
- -0.7633 -2.2915 0.0000 H 0 0 0
- -5.4072 -1.5299 0.0000 H 0 0 0
- -3.7588 2.2089 0.0000 H 0 0 0
- 0.1025 0.4944 0.0000 H 0 0 0
- -4.8333 2.2064 0.0000 H 0 0 0
- -5.7327 3.3336 0.0000 H 0 0 0
- -6.8599 2.4342 0.0000 H 0 0 0
- 3.0297 -1.9100 0.0000 H 0 0 0
- 4.3786 -1.9533 0.0000 H 0 0 0
- 5.3293 -1.3274 0.0000 H 0 0 0
- 5.9991 -0.2462 0.0000 H 0 0 0
- 6.5984 0.4741 0.0000 H 0 0 0
- 7.3077 1.5246 0.0000 H 0 0 0
- 7.4842 2.4971 0.0000 H 0 0 0
- 6.6314 3.6599 0.0000 H 0 0 0
- 5.4686 2.8071 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 6 8 2 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6341-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.5631 0.2585 0.1220 C 0 0 0
- -0.7716 -0.1895 0.7210 C 0 0 0
- 1.8405 -0.3825 0.6680 C 0 0 0
- 1.3151 -0.7023 -0.6218 O 0 0 0
- 0.6334 1.7205 -0.3237 C 0 0 0
- -1.9150 0.5667 0.0415 C 0 0 0
- -1.5781 -0.7792 -0.3006 O 0 0 0
- -0.2962 -1.1081 0.0000 H 0 0 0
- 2.5327 -1.1511 0.0000 H 0 0 0
- 2.4676 0.4401 0.0000 H 0 0 0
- 1.6666 1.6708 0.0000 H 0 0 0
- 0.6831 2.7537 0.0000 H 0 0 0
- -0.3998 1.7702 0.0000 H 0 0 0
- -1.6016 1.5524 0.0000 H 0 0 0
- -2.9488 0.5990 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 4 1 0
- 6 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-821-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- 0.0472 -0.3973 0.1373 C 0 0 0
- -1.2260 0.4394 -0.0036 C 0 0 0
- 1.2699 0.5202 0.0746 C 0 0 0
- -2.4487 -0.4782 0.0591 C 0 0 0
- 2.5431 -0.3164 0.2155 C 0 0 0
- -3.7219 0.3585 -0.0818 C 0 0 0
- 3.7659 0.6011 0.1529 C 0 0 0
- -4.9447 -0.5591 -0.0191 C 0 0 0
- 5.0199 -0.2230 0.2916 C 0 0 0
- -6.2178 0.2776 -0.1600 C 0 0 0
- 5.9131 -0.2229 -0.6667 C 0 0 0
- -0.6859 -1.2737 0.0000 H 0 0 0
- 0.8335 -1.2263 0.0000 H 0 0 0
- -0.4929 1.3158 0.0000 H 0 0 0
- -2.0124 1.2684 0.0000 H 0 0 0
- 2.0030 1.3967 0.0000 H 0 0 0
- 0.4836 1.3492 0.0000 H 0 0 0
- -3.1818 -1.3546 0.0000 H 0 0 0
- -1.6623 -1.3072 0.0000 H 0 0 0
- 1.8100 -1.1928 0.0000 H 0 0 0
- 3.3294 -1.1454 0.0000 H 0 0 0
- -2.9888 1.2349 0.0000 H 0 0 0
- -4.5082 1.1875 0.0000 H 0 0 0
- 4.4991 1.4775 0.0000 H 0 0 0
- 2.9796 1.4302 0.0000 H 0 0 0
- -5.6779 -1.4355 0.0000 H 0 0 0
- -4.1584 -1.3881 0.0000 H 0 0 0
- 4.6925 -1.3177 0.0000 H 0 0 0
- -5.5902 1.2325 0.0000 H 0 0 0
- -7.1727 0.9052 0.0000 H 0 0 0
- -6.8454 -0.6773 0.0000 H 0 0 0
- 6.4845 -1.2124 0.0000 H 0 0 0
- 6.4843 0.7667 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 2 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5694-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.6151 0.0552 -0.6980 C 0 0 0
- -0.7751 0.0007 -0.1190 C 0 0 0
- 1.5320 0.8317 0.2493 C 0 0 0
- 1.5265 -0.5961 0.1893 O 0 0 0
- -1.4493 1.1423 0.1238 N 0 0 0
- -1.2874 -1.0704 0.1285 O 0 0 0
- 0.3435 -0.8528 0.0000 H 0 0 0
- 2.4544 1.0493 0.0000 H 0 0 0
- 1.1052 1.6779 0.0000 H 0 0 0
- -0.9835 1.9677 0.0000 H 0 0 0
- -2.3970 1.1330 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 4 1 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-539-21-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -1.9143 -0.6873 0.0043 C 0 0 0
- -1.2714 -2.0037 0.0026 C 0 0 0
- -1.0957 0.5276 0.0043 C 0 0 0
- -3.2310 -0.5959 0.0004 N 0 0 0
- 0.0726 -2.0970 0.0010 C 0 0 0
- 0.2483 0.4343 0.0028 C 0 0 0
- -3.8458 0.6630 0.0021 N 0 0 0
- 0.8911 -0.8820 0.0010 C 0 0 0
- -5.2187 0.7583 -0.0020 C 0 0 0
- 2.2079 -0.9734 -0.0001 N 0 0 0
- -5.8225 1.9947 -0.0004 N 0 0 0
- -5.9472 -0.3230 -0.0075 N 0 0 0
- 2.9907 0.1884 -0.0001 N 0 0 0
- 4.3353 0.0951 -0.0012 C 0 0 0
- 4.9267 -1.1159 -0.0024 N 0 0 0
- 5.2919 1.5149 -0.0012 S 0 0 0
- -1.8481 -2.8596 0.0000 H 0 0 0
- -1.5486 1.4550 0.0000 H 0 0 0
- 0.5255 -3.0244 0.0000 H 0 0 0
- 0.8250 1.2902 0.0000 H 0 0 0
- -3.2691 1.5189 0.0000 H 0 0 0
- -5.2458 2.8506 0.0000 H 0 0 0
- -6.8521 2.0662 0.0000 H 0 0 0
- -6.5239 -1.1789 0.0000 H 0 0 0
- 2.5378 1.1158 0.0000 H 0 0 0
- 4.3500 -1.9718 0.0000 H 0 0 0
- 5.9563 -1.1874 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 6 8 1 0
- 2 17 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-42-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 1.0960 -0.1489 0.0335 C 0 0 0
- -0.1539 -0.9994 -0.2020 C 0 0 0
- 1.1728 0.2471 1.5093 C 0 0 0
- 2.3402 -0.9555 -0.3436 C 0 0 0
- 1.0294 1.0290 -0.7729 O 0 0 0
- -1.3826 -0.1418 -0.0417 C 0 0 0
- -2.7496 -0.7761 -0.0423 C 0 0 0
- -1.2718 1.0538 0.0874 O 0 0 0
- -0.8961 -1.8276 0.0000 H 0 0 0
- 0.5784 -1.8363 0.0000 H 0 0 0
- 2.2645 0.0354 0.0000 H 0 0 0
- 1.3845 1.3388 0.0000 H 0 0 0
- 0.0811 0.4588 0.0000 H 0 0 0
- 1.7352 -1.8886 0.0000 H 0 0 0
- 3.2734 -1.5604 0.0000 H 0 0 0
- 2.9451 -0.0224 0.0000 H 0 0 0
- 0.9666 2.1393 0.0000 H 0 0 0
- -3.2177 0.2327 0.0000 H 0 0 0
- -3.7584 -1.2442 0.0000 H 0 0 0
- -2.2815 -1.7849 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2912-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.9327 0.0065 0.2833 C 0 0 0
- -0.4866 -0.4159 0.5631 C 0 0 0
- 1.6868 0.5977 1.2793 C 0 0 0
- 1.4822 -0.2025 -0.9680 C 0 0 0
- -1.4208 0.3157 -0.3660 C 0 0 0
- -0.6477 -2.1924 0.3010 Cl 0 0 0
- 2.9889 0.9853 1.0226 C 0 0 0
- 2.7839 0.1849 -1.2246 C 0 0 0
- -1.3079 0.1856 -1.5615 O 0 0 0
- -2.6592 1.3453 0.2819 Cl 0 0 0
- 3.5364 0.7815 -0.2300 C 0 0 0
- -0.3207 0.4584 0.0000 H 0 0 0
- 1.2781 1.3883 0.0000 H 0 0 0
- 1.4492 -1.0918 0.0000 H 0 0 0
- 3.0187 1.8747 0.0000 H 0 0 0
- 3.1947 -0.6045 0.0000 H 0 0 0
- 4.4154 0.9206 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 2 0
- 8 11 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-538-41-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.7514 0.3040 -0.0014 C 0 0 0
- 0.4012 0.5050 -0.0016 N 0 0 0
- 2.6234 1.3981 -0.0014 C 0 0 0
- 2.2666 -0.9963 0.0046 C 0 0 0
- -0.4012 -0.5050 -0.0016 N 0 0 0
- 3.9841 1.1913 -0.0013 C 0 0 0
- 3.6291 -1.1950 0.0047 C 0 0 0
- -1.7514 -0.3040 -0.0017 C 0 0 0
- 4.4931 -0.1043 -0.0012 C 0 0 0
- -2.6234 -1.3981 -0.0017 C 0 0 0
- -2.2667 0.9963 0.0040 C 0 0 0
- 5.8709 -0.3094 -0.0015 N 0 0 0
- -3.9841 -1.1913 -0.0014 C 0 0 0
- -3.6291 1.1950 0.0043 C 0 0 0
- -4.4931 0.1043 -0.0011 C 0 0 0
- -5.8709 0.3094 -0.0008 N 0 0 0
- 2.2426 2.3697 0.0000 H 0 0 0
- 1.6192 -1.8148 0.0000 H 0 0 0
- 4.6351 2.0069 0.0000 H 0 0 0
- 4.0143 -2.1649 0.0000 H 0 0 0
- -2.2426 -2.3697 0.0000 H 0 0 0
- -1.6193 1.8148 0.0000 H 0 0 0
- 6.2539 -1.2801 0.0000 H 0 0 0
- 6.5201 0.5077 0.0000 H 0 0 0
- -4.6351 -2.0069 0.0000 H 0 0 0
- -4.0143 2.1649 0.0000 H 0 0 0
- -6.2539 1.2801 0.0000 H 0 0 0
- -6.5201 -0.5077 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 7 9 2 0
- 14 15 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.8070 -0.0374 -0.0012 C 0 0 0
- -1.9657 0.6619 -0.0003 O 0 0 0
- 0.4704 0.4859 0.0004 C 0 0 0
- -1.1725 -1.4680 0.0021 C 0 0 0
- -2.9974 -0.1866 -0.0017 C 0 0 0
- 1.5293 -0.3331 -0.0008 N 0 0 0
- -2.5350 -1.5052 0.0048 C 0 0 0
- -4.4304 0.2140 -0.0008 N 0 3 0
- 2.7230 0.1559 0.0007 N 0 0 0
- -5.3009 -0.6378 -0.0023 O 0 0 0
- -4.7821 1.5857 0.0017 O 0 5 0
- 3.8574 -0.5573 -0.0002 C 0 0 0
- 3.0610 1.5875 -0.0025 C 0 0 0
- 4.9662 0.1896 0.0018 O 0 0 0
- 3.8766 -1.7711 -0.0023 O 0 0 0
- 4.6019 1.6003 0.0013 C 0 0 0
- 0.6077 1.4989 0.0000 H 0 0 0
- -0.5345 -2.2667 0.0000 H 0 0 0
- -3.1148 -2.3471 0.0000 H 0 0 0
- 3.1343 2.6071 0.0000 H 0 0 0
- 2.0505 1.7421 0.0000 H 0 0 0
- 5.6092 1.7745 0.0000 H 0 0 0
- 4.5102 2.6184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 5 7 2 0
- 14 16 1 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 13 20 1 0
- 13 21 1 0
- 16 22 1 0
- 16 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1007-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -2.1159 -0.9560 -0.0004 N 0 0 0
- -3.3779 -0.2119 0.0014 C 0 0 0
- -0.9145 -0.2770 0.0012 C 0 0 0
- -4.5499 -1.1954 -0.0009 C 0 0 0
- 0.2321 -0.9522 -0.0004 N 0 0 0
- -0.9015 1.0517 -0.0012 N 0 0 0
- 1.3844 -0.3019 0.0011 C 0 0 0
- 0.2572 1.7018 0.0003 C 0 0 0
- 2.8781 -1.1865 -0.0010 Cl 0 0 0
- 1.4006 1.0208 0.0046 N 0 0 0
- 0.2750 3.0817 -0.0026 N 0 0 0
- -2.1250 -1.9541 0.0000 H 0 0 0
- -2.7770 0.5851 0.0000 H 0 0 0
- -4.1018 0.4753 0.0000 H 0 0 0
- -5.1915 -0.4308 0.0000 H 0 0 0
- -5.3145 -1.8370 0.0000 H 0 0 0
- -3.9083 -1.9600 0.0000 H 0 0 0
- 1.1458 3.5696 0.0000 H 0 0 0
- -0.5829 3.5919 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 1 0
- 10 7 2 0
- 11 8 1 0
- 8 10 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105596-42-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.1491 0.3445 0.1087 C 0 0 0
- -1.4013 -0.4167 0.0635 C 0 0 0
- -0.1293 1.7346 0.2421 C 0 0 0
- 1.0748 -0.3583 0.0196 C 0 0 0
- -2.6503 0.2022 0.1504 C 0 0 0
- -1.3350 -1.8228 -0.0721 C 0 0 0
- -1.4270 2.5008 0.3445 C 0 0 0
- 1.0598 2.4023 0.2797 C 0 0 0
- 2.2809 0.3555 0.0607 C 0 0 0
- 1.0729 -1.7667 -0.1091 C 0 0 0
- -2.7398 1.7028 0.2963 C 0 0 0
- -3.7901 -0.5461 0.1042 C 0 0 0
- -0.0783 -2.4654 -0.1617 C 0 0 0
- -2.5237 -2.5650 -0.1167 C 0 0 0
- -2.1752 2.3242 -0.8601 O 0 0 0
- 2.2637 1.7133 0.1864 C 0 0 0
- 3.5713 -0.3639 -0.0314 N 0 3 0
- -3.7266 -1.9285 -0.0291 C 0 0 0
- 3.7684 -1.3513 0.6540 O 0 0 0
- 4.4360 0.0315 -0.7927 O 0 5 0
- -1.2702 3.5330 0.0000 H 0 0 0
- 1.0641 3.4464 0.0000 H 0 0 0
- 1.9824 -2.2794 0.0000 H 0 0 0
- -3.7244 2.0500 0.0000 H 0 0 0
- -4.7200 -0.0714 0.0000 H 0 0 0
- -0.0403 -3.5088 0.0000 H 0 0 0
- -2.4864 -3.6084 0.0000 H 0 0 0
- 3.1636 2.2428 0.0000 H 0 0 0
- -4.6084 -2.4875 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 12 18 1 0
- 17 19 2 0
- 17 20 1 0
- 7 11 1 0
- 9 16 2 0
- 10 13 2 0
- 11 15 1 0
- 14 18 2 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72848-48-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.2874 0.4464 -0.0071 C 0 0 0
- -0.9453 -0.9812 -0.0054 C 0 0 0
- -0.3270 1.3643 -0.0066 N 0 0 0
- -2.6496 0.8168 -0.0034 C 0 0 0
- 0.3268 -1.3641 -0.0029 N 0 0 0
- -1.9917 -1.9288 -0.0061 C 0 0 0
- 0.9454 0.9813 -0.0045 C 0 0 0
- -3.6059 -0.1462 0.0016 C 0 0 0
- 1.2874 -0.4461 -0.0019 C 0 0 0
- -3.2806 -1.5038 -0.0083 C 0 0 0
- 1.9917 1.9288 -0.0034 C 0 0 0
- -5.0312 0.2534 0.0060 N 0 3 0
- 2.6494 -0.8167 0.0006 C 0 0 0
- 3.2808 1.5038 -0.0008 C 0 0 0
- -5.9023 -0.5979 0.0106 O 0 0 0
- -5.3328 1.4334 0.0051 O 0 5 0
- 3.6060 0.1462 0.0014 C 0 0 0
- 5.0312 -0.2535 0.0045 N 0 3 0
- 5.9024 0.5976 0.0052 O 0 0 0
- 5.3327 -1.4336 0.0063 O 0 5 0
- -2.9130 1.8001 0.0000 H 0 0 0
- -1.7808 -2.9247 0.0000 H 0 0 0
- -4.0298 -2.1930 0.0000 H 0 0 0
- 1.7808 2.9247 0.0000 H 0 0 0
- 2.9126 -1.8001 0.0000 H 0 0 0
- 4.0300 2.1930 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 4 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-24-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.6817 -1.0532 0.2429 C 0 0 0
- 0.2636 -1.2231 0.7239 C 0 0 0
- 2.3715 0.0026 0.5973 C 0 0 0
- 2.3082 -2.1009 -0.6407 C 0 0 0
- -0.6955 -0.5766 -0.2776 C 0 0 0
- 2.8321 0.9870 -0.4467 C 0 0 0
- -2.1135 -0.7465 0.2035 C 0 0 0
- 2.5398 2.3159 -0.0101 O 0 0 0
- -3.0029 0.1847 -0.0374 C 0 0 0
- -3.6501 0.9223 1.1063 C 0 0 0
- -3.3787 0.5184 -1.4581 C 0 0 0
- -0.4533 -1.8166 0.0000 H 0 0 0
- 0.6306 -2.0784 0.0000 H 0 0 0
- 3.1846 -0.4503 0.0000 H 0 0 0
- 1.5094 -2.5786 0.0000 H 0 0 0
- 2.7859 -2.8997 0.0000 H 0 0 0
- 3.1070 -1.6232 0.0000 H 0 0 0
- 0.0214 0.0169 0.0000 H 0 0 0
- -1.0626 0.2787 0.0000 H 0 0 0
- 3.5174 0.3572 0.0000 H 0 0 0
- 3.6388 1.4511 0.0000 H 0 0 0
- -2.4279 -1.6225 0.0000 H 0 0 0
- 2.3399 3.2249 0.0000 H 0 0 0
- -2.9505 1.5361 0.0000 H 0 0 0
- -4.2639 1.6219 0.0000 H 0 0 0
- -4.3497 0.3085 0.0000 H 0 0 0
- -2.7607 1.2143 0.0000 H 0 0 0
- -4.0746 1.1364 0.0000 H 0 0 0
- -3.9967 -0.1775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 2 0
- 9 10 1 0
- 9 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-62-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 80 79 1 V2000
- 9.2483 0.4319 -0.2009 C 0 0 0
- 8.0237 -0.4853 -0.2022 C 0 0 0
- 10.5213 -0.4169 -0.2020 C 0 0 0
- 9.2242 1.3165 -1.4491 C 0 0 0
- 6.8157 0.3202 -0.2011 O 0 0 0
- 11.3151 -0.1473 1.0778 C 0 0 0
- 9.2843 2.7875 -1.0328 C 0 0 0
- 5.6124 -0.2746 -0.2019 C 0 0 0
- 12.5198 -1.0886 1.1385 C 0 0 0
- 4.3586 0.5615 -0.2008 C 0 0 0
- 5.5345 -1.4803 -0.2035 O 0 0 0
- 13.3136 -0.8190 2.4184 C 0 0 0
- 3.1340 -0.3558 -0.2020 C 0 0 0
- 1.8611 0.4931 -0.2009 C 0 0 0
- 0.6365 -0.4242 -0.2021 C 0 0 0
- -0.6365 0.4247 -0.2010 C 0 0 0
- -1.8611 -0.4925 -0.2022 C 0 0 0
- -3.1340 0.3563 -0.2011 C 0 0 0
- -4.3586 -0.5609 -0.2024 C 0 0 0
- -5.6124 0.2751 -0.2013 C 0 0 0
- -6.8157 -0.3197 -0.2021 O 0 0 0
- -5.5345 1.4809 -0.1997 O 0 0 0
- -8.0237 0.4859 -0.2010 C 0 0 0
- -9.2483 -0.4314 -0.2022 C 0 0 0
- -10.5213 0.4175 -0.2011 C 0 0 0
- -9.2241 -1.3127 -1.4527 C 0 0 0
- -11.3151 0.1445 1.0780 C 0 0 0
- -9.2842 -2.7848 -1.0403 C 0 0 0
- -12.5198 1.0856 1.1412 C 0 0 0
- -13.3136 0.8127 2.4203 C 0 0 0
- 8.2308 0.9239 0.0000 H 0 0 0
- 7.2944 -1.3487 0.0000 H 0 0 0
- 8.7992 -1.3075 0.0000 H 0 0 0
- 9.7054 -1.1990 0.0000 H 0 0 0
- 11.1080 -1.3829 0.0000 H 0 0 0
- 8.2558 1.8993 0.0000 H 0 0 0
- 8.2480 0.7469 0.0000 H 0 0 0
- 12.1691 0.5930 0.0000 H 0 0 0
- 10.7528 0.8331 0.0000 H 0 0 0
- 10.4136 2.7414 0.0000 H 0 0 0
- 9.3304 3.9168 0.0000 H 0 0 0
- 8.1550 2.8336 0.0000 H 0 0 0
- 11.6658 -1.8289 0.0000 H 0 0 0
- 13.0821 -2.0690 0.0000 H 0 0 0
- 5.0879 1.4249 0.0000 H 0 0 0
- 3.5831 1.3837 0.0000 H 0 0 0
- 13.6771 -1.8892 0.0000 H 0 0 0
- 14.3838 -0.4555 0.0000 H 0 0 0
- 12.9501 0.2512 0.0000 H 0 0 0
- 2.4047 -1.2192 0.0000 H 0 0 0
- 3.9095 -1.1780 0.0000 H 0 0 0
- 2.5904 1.3565 0.0000 H 0 0 0
- 1.0856 1.3153 0.0000 H 0 0 0
- -0.0928 -1.2876 0.0000 H 0 0 0
- 1.4120 -1.2464 0.0000 H 0 0 0
- 0.0928 1.2881 0.0000 H 0 0 0
- -1.4119 1.2469 0.0000 H 0 0 0
- -2.5904 -1.3559 0.0000 H 0 0 0
- -1.0856 -1.3147 0.0000 H 0 0 0
- -2.4047 1.2197 0.0000 H 0 0 0
- -3.9095 1.1785 0.0000 H 0 0 0
- -5.0879 -1.4243 0.0000 H 0 0 0
- -3.5831 -1.3831 0.0000 H 0 0 0
- -7.2944 1.3493 0.0000 H 0 0 0
- -8.7992 1.3081 0.0000 H 0 0 0
- -10.2374 -0.9783 0.0000 H 0 0 0
- -9.7064 1.2006 0.0000 H 0 0 0
- -11.1105 1.3820 0.0000 H 0 0 0
- -8.2557 -1.8954 0.0000 H 0 0 0
- -8.2480 -0.7430 0.0000 H 0 0 0
- -12.1681 -0.5969 0.0000 H 0 0 0
- -10.7502 -0.8344 0.0000 H 0 0 0
- -10.4135 -2.7387 0.0000 H 0 0 0
- -9.3303 -3.9141 0.0000 H 0 0 0
- -8.1549 -2.8309 0.0000 H 0 0 0
- -11.6667 1.8270 0.0000 H 0 0 0
- -13.0846 2.0646 0.0000 H 0 0 0
- -13.6810 1.8815 0.0000 H 0 0 0
- -14.3824 0.4453 0.0000 H 0 0 0
- -12.9462 -0.2561 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 2 0
- 21 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 29 30 1 0
- 1 31 1 0
- 2 32 1 0
- 2 33 1 0
- 3 34 1 0
- 3 35 1 0
- 4 36 1 0
- 4 37 1 0
- 6 38 1 0
- 6 39 1 0
- 7 40 1 0
- 7 41 1 0
- 7 42 1 0
- 9 43 1 0
- 9 44 1 0
- 10 45 1 0
- 10 46 1 0
- 12 47 1 0
- 12 48 1 0
- 12 49 1 0
- 13 50 1 0
- 13 51 1 0
- 14 52 1 0
- 14 53 1 0
- 15 54 1 0
- 15 55 1 0
- 16 56 1 0
- 16 57 1 0
- 17 58 1 0
- 17 59 1 0
- 18 60 1 0
- 18 61 1 0
- 19 62 1 0
- 19 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 25 67 1 0
- 25 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 27 72 1 0
- 28 73 1 0
- 28 74 1 0
- 28 75 1 0
- 29 76 1 0
- 29 77 1 0
- 30 78 1 0
- 30 79 1 0
- 30 80 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21314-05-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.8322 -0.7283 0.1590 N 0 0 0
- -1.8323 0.1909 -0.0493 C 0 0 0
- 0.5465 -0.4807 0.1083 C 0 0 0
- -1.4292 -1.9259 0.4304 C 0 0 0
- -3.0403 -0.5101 0.1032 C 0 0 0
- -1.8695 1.4875 -0.3382 N 0 0 0
- 1.3421 -1.1610 -0.8034 C 0 0 0
- 1.1182 0.4497 0.9659 C 0 0 0
- -2.7236 -1.7935 0.4003 N 0 0 0
- -4.2432 0.1986 -0.0584 C 0 0 0
- -3.0203 2.1103 -0.4805 C 0 0 0
- 2.7006 -0.9148 -0.8510 C 0 0 0
- 2.4769 0.6914 0.9136 C 0 0 0
- -4.1809 1.4943 -0.3468 N 0 0 0
- -5.4641 -0.4383 0.0793 N 0 0 0
- 3.2679 0.0079 0.0081 C 0 0 0
- 4.7239 0.2694 -0.0454 N 0 3 0
- 5.2249 1.0820 0.7109 O 0 0 0
- 5.4209 -0.3282 -0.8458 O 0 5 0
- -0.9540 -2.7892 0.0000 H 0 0 0
- 1.0849 -2.1123 0.0000 H 0 0 0
- 0.5635 1.2642 0.0000 H 0 0 0
- -3.0163 3.0957 0.0000 H 0 0 0
- 3.2566 -1.7285 0.0000 H 0 0 0
- 2.7381 1.6416 0.0000 H 0 0 0
- -6.2957 0.0905 0.0000 H 0 0 0
- -5.5062 -1.4229 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 10 15 1 0
- 12 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 9 1 0
- 11 14 1 0
- 13 16 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-589-18-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.8603 -0.2019 -0.2601 C 0 0 0
- -0.0710 -1.3174 -0.0499 C 0 0 0
- -0.2842 1.0537 -0.3053 C 0 0 0
- -2.3478 -0.3555 -0.4463 C 0 0 0
- 1.2940 -1.1771 0.1151 C 0 0 0
- 1.0813 1.1941 -0.1402 C 0 0 0
- -3.0332 0.3704 0.5761 O 0 0 0
- 1.8703 0.0789 0.0699 C 0 0 0
- 3.3587 0.2319 0.2493 C 0 0 0
- -0.4967 -2.2548 0.0000 H 0 0 0
- -0.8837 1.8907 0.0000 H 0 0 0
- -3.2315 -0.8837 0.0000 H 0 0 0
- -2.0231 -1.3325 0.0000 H 0 0 0
- 1.8935 -2.0141 0.0000 H 0 0 0
- 1.5070 2.1315 0.0000 H 0 0 0
- -3.7400 1.1190 0.0000 H 0 0 0
- 3.4640 -0.7922 0.0000 H 0 0 0
- 4.3828 0.3372 0.0000 H 0 0 0
- 3.2534 1.2560 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-994-05-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.0280 -0.4062 -0.0037 C 0 0 0
- -1.4773 -0.5061 0.2512 C 0 0 0
- 0.4661 0.9305 0.2482 O 0 0 0
- 0.7679 -1.3693 0.9268 C 0 0 0
- 0.3243 -0.7743 -1.4589 C 0 0 0
- -2.1310 0.8511 -0.0162 C 0 0 0
- 1.8673 0.9652 -0.0299 C 0 0 0
- -2.4765 -0.8387 0.0000 H 0 0 0
- -1.2745 -1.5395 0.0000 H 0 0 0
- -0.0672 -2.0109 0.0000 H 0 0 0
- 1.4095 -2.2044 0.0000 H 0 0 0
- 1.6030 -0.7277 0.0000 H 0 0 0
- -0.4961 -1.4346 0.0000 H 0 0 0
- 0.9846 -1.5947 0.0000 H 0 0 0
- 1.1447 -0.1140 0.0000 H 0 0 0
- -1.1822 1.3081 0.0000 H 0 0 0
- -2.5880 1.7999 0.0000 H 0 0 0
- -3.0798 0.3941 0.0000 H 0 0 0
- 1.8934 -0.0876 0.0000 H 0 0 0
- 2.9201 0.9913 0.0000 H 0 0 0
- 1.8412 2.0180 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.1417 0.6922 0.0028 C 0 0 0
- 0.1417 -0.6922 0.0003 C 0 0 0
- 1.3403 1.3831 0.0028 C 0 0 0
- -1.3614 1.5607 -0.0015 Cl 0 0 0
- 1.3402 -1.3832 -0.0021 C 0 0 0
- -1.3615 -1.5607 0.0008 Cl 0 0 0
- 2.5367 0.6913 0.0004 C 0 0 0
- 2.5367 -0.6913 -0.0021 C 0 0 0
- 1.3410 2.4207 0.0000 H 0 0 0
- 1.3409 -2.4208 0.0000 H 0 0 0
- 3.4354 1.2098 0.0000 H 0 0 0
- 3.4355 -1.2098 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 5 10 1 0
- 7 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1148-79-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 1.1562 0.7314 -0.0035 C 0 0 0
- 0.0001 0.0842 -0.0037 N 0 0 0
- 1.1911 2.1250 -0.0006 C 0 0 0
- 2.4268 -0.0350 -0.0002 C 0 0 0
- -1.1563 0.7315 -0.0012 C 0 0 0
- 0.0001 2.8322 0.0021 C 0 0 0
- 2.3934 -1.4272 0.0027 C 0 0 0
- 3.5851 0.6118 -0.0054 N 0 0 0
- -1.1912 2.1247 0.0014 C 0 0 0
- -2.4268 -0.0349 -0.0015 C 0 0 0
- 3.5873 -2.1289 0.0058 C 0 0 0
- 4.7347 -0.0306 -0.0027 C 0 0 0
- -2.3934 -1.4272 -0.0045 C 0 0 0
- -3.5852 0.6118 0.0065 N 0 0 0
- 4.7756 -1.4135 0.0059 C 0 0 0
- -3.5872 -2.1289 -0.0048 C 0 0 0
- -4.7347 -0.0306 0.0065 C 0 0 0
- -4.7756 -1.4135 -0.0021 C 0 0 0
- 2.1002 2.6275 0.0000 H 0 0 0
- 0.0001 3.8709 0.0000 H 0 0 0
- 1.4857 -1.9322 0.0000 H 0 0 0
- -2.1003 2.6272 0.0000 H 0 0 0
- 3.5928 -3.1676 0.0000 H 0 0 0
- 5.6227 0.5083 0.0000 H 0 0 0
- -1.4857 -1.9322 0.0000 H 0 0 0
- 5.6874 -1.9112 0.0000 H 0 0 0
- -3.5926 -3.1676 0.0000 H 0 0 0
- -5.6228 0.5082 0.0000 H 0 0 0
- -5.6873 -1.9112 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 2 0
- 7 4 2 0
- 8 4 1 0
- 9 5 2 0
- 10 5 1 0
- 11 7 1 0
- 12 8 2 0
- 13 10 2 0
- 14 10 1 0
- 15 11 2 0
- 16 13 1 0
- 17 14 2 0
- 18 16 2 0
- 6 9 1 0
- 12 15 1 0
- 17 18 1 0
- 3 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-83-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7058 -0.2276 0.2666 C 0 0 0
- -0.7058 0.2277 0.2665 C 0 0 0
- 1.7185 0.6382 -0.1433 C 0 0 0
- 1.0223 -1.5202 0.6822 C 0 0 0
- -1.7185 -0.6381 -0.1435 C 0 0 0
- -1.0223 1.5204 0.6819 C 0 0 0
- 3.0309 0.2125 -0.1419 C 0 0 0
- 2.3351 -1.9418 0.6821 C 0 0 0
- -3.0309 -0.2124 -0.1423 C 0 0 0
- -2.3351 1.9419 0.6816 C 0 0 0
- 3.3432 -1.0793 0.2682 C 0 0 0
- 4.2930 1.2895 -0.6527 Cl 0 0 0
- -3.3432 1.0793 0.2680 C 0 0 0
- -4.2929 -1.2896 -0.6527 Cl 0 0 0
- 4.6725 -1.5089 0.2686 N 0 0 0
- -4.6726 1.5086 0.2691 N 0 0 0
- 1.5163 1.6523 0.0000 H 0 0 0
- 0.2657 -2.2252 0.0000 H 0 0 0
- -1.5163 -1.6522 0.0000 H 0 0 0
- -0.2657 2.2254 0.0000 H 0 0 0
- 2.5390 -2.9556 0.0000 H 0 0 0
- -2.5391 2.9557 0.0000 H 0 0 0
- 4.8891 -2.5201 0.0000 H 0 0 0
- 5.4399 -0.8157 0.0000 H 0 0 0
- -4.8894 2.5197 0.0000 H 0 0 0
- -5.4398 0.8153 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 8 11 1 0
- 10 13 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114451-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.2258 -0.1908 -0.0124 C 0 0 0
- -1.6615 -0.4554 -0.0292 C 0 0 0
- 0.2094 1.1367 0.0544 C 0 0 0
- 0.8704 -0.9709 -0.0428 N 0 0 0
- -2.5612 0.6360 0.0225 C 0 0 0
- -2.1695 -1.7591 -0.0955 C 0 0 0
- 1.5880 1.0835 0.0558 N 0 0 0
- -0.7178 2.1818 0.1040 C 0 0 0
- 1.9399 -0.2273 -0.0057 C 0 0 0
- -2.0533 1.9487 0.0888 C 0 0 0
- -3.8780 0.4088 0.0075 N 0 0 0
- -3.5284 -1.9234 -0.1075 C 0 0 0
- 2.5019 2.2270 0.1145 C 0 0 0
- 3.3303 -0.7351 -0.0223 N 0 3 0
- -4.3601 -0.8096 -0.0545 C 0 0 0
- 4.1293 -0.2964 -0.8301 O 0 0 0
- 3.6753 -1.5917 0.7719 O 0 5 0
- -1.5353 -2.5767 0.0000 H 0 0 0
- -0.3765 3.1586 0.0000 H 0 0 0
- -2.7097 2.7486 0.0000 H 0 0 0
- -3.9357 -2.8746 0.0000 H 0 0 0
- 3.3102 1.5810 0.0000 H 0 0 0
- 3.1479 3.0353 0.0000 H 0 0 0
- 1.6936 2.8730 0.0000 H 0 0 0
- -5.3858 -0.9461 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 14 16 2 0
- 14 17 1 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51042-51-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -2.0374 -0.5085 -0.0018 C 0 0 0
- -3.0478 0.4570 -0.0008 C 0 0 0
- -0.6216 -0.0986 -0.0009 C 0 0 0
- -2.3757 -1.8640 0.0021 C 0 0 0
- -4.3703 0.0660 -0.0012 C 0 0 0
- 0.3464 -1.0287 -0.0019 C 0 0 0
- -3.7029 -2.2401 0.0069 C 0 0 0
- -4.6979 -1.2787 -0.0026 C 0 0 0
- -5.4420 1.0870 0.0004 N 0 3 0
- 1.7622 -0.6188 -0.0009 C 0 0 0
- -6.6105 0.7433 0.0000 O 0 0 0
- -5.1553 2.2708 0.0020 O 0 5 0
- 2.7727 -1.5843 -0.0019 C 0 0 0
- 2.1006 0.7367 -0.0048 C 0 0 0
- 4.0951 -1.1933 -0.0010 C 0 0 0
- 3.4277 1.1128 -0.0038 C 0 0 0
- 4.4227 0.1513 0.0010 C 0 0 0
- 5.8446 0.5630 0.0020 N 0 3 0
- 6.1363 1.7455 0.0037 O 0 0 0
- 6.7229 -0.2809 0.0011 O 0 5 0
- -2.8035 1.4656 0.0000 H 0 0 0
- -0.3731 0.9090 0.0000 H 0 0 0
- -1.6304 -2.5861 0.0000 H 0 0 0
- 0.0979 -2.0363 0.0000 H 0 0 0
- -3.9557 -3.2466 0.0000 H 0 0 0
- -5.6947 -1.5673 0.0000 H 0 0 0
- 2.5285 -2.5929 0.0000 H 0 0 0
- 1.3553 1.4588 0.0000 H 0 0 0
- 4.8465 -1.9091 0.0000 H 0 0 0
- 3.6805 2.1193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 8 2 0
- 16 17 2 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-34331-95-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4844 1.2045 0.4074 C 0 0 0
- -0.1763 -0.0007 0.6391 C 0 0 0
- 1.8679 1.2060 -0.0786 C 0 0 0
- -0.1583 2.4419 0.6273 C 0 0 0
- 0.4863 -1.2042 0.4059 C 0 0 0
- -1.5980 -0.0023 1.1390 C 0 0 0
- 2.5310 0.0022 -0.3109 C 0 0 0
- 2.5068 2.4445 -0.3031 C 0 0 0
- 0.5142 3.5972 0.3912 C 0 0 0
- 1.8701 -1.2026 -0.0801 C 0 0 0
- -0.1521 -2.4431 0.6303 C 0 0 0
- -2.8310 -0.0020 -0.3923 Br 0 0 0
- 3.9528 0.0037 -0.8104 C 0 0 0
- 1.8324 3.5985 -0.0663 C 0 0 0
- 2.5114 -2.4399 -0.3053 C 0 0 0
- 0.5227 -3.5968 0.3933 C 0 0 0
- 1.8392 -3.5953 -0.0691 C 0 0 0
- -1.1888 2.4667 0.0000 H 0 0 0
- -2.1132 -0.8951 0.0000 H 0 0 0
- -1.0820 -0.8946 0.0000 H 0 0 0
- 3.5372 2.4716 0.0000 H 0 0 0
- 0.0000 4.4905 0.0000 H 0 0 0
- -1.1825 -2.4706 0.0000 H 0 0 0
- 3.9539 -1.0271 0.0000 H 0 0 0
- 4.9836 0.0048 0.0000 H 0 0 0
- 3.9517 1.0345 0.0000 H 0 0 0
- 2.3450 4.4928 0.0000 H 0 0 0
- 3.5419 -2.4650 0.0000 H 0 0 0
- 0.0103 -4.4912 0.0000 H 0 0 0
- 2.3536 -4.4885 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 15 17 2 0
- 7 10 2 0
- 9 14 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.1252 -0.0182 0.0033 C 0 0 0
- 0.6000 -1.2116 0.0029 C 0 0 0
- 0.5518 1.2027 0.0009 C 0 0 0
- -1.6022 -0.0476 0.0000 C 0 0 0
- 1.9788 -1.1770 0.0002 C 0 0 0
- 1.9313 1.2228 -0.0018 C 0 0 0
- -2.2988 1.1055 0.0004 O 0 0 0
- -2.1885 -1.1114 -0.0030 O 0 0 0
- 2.6436 0.0368 -0.0022 C 0 0 0
- 0.1027 -2.1223 0.0000 H 0 0 0
- 0.0187 2.0929 0.0000 H 0 0 0
- 2.5188 -2.0630 0.0000 H 0 0 0
- 2.4357 2.1295 0.0000 H 0 0 0
- -2.8353 1.9936 0.0000 H 0 0 0
- 3.6810 0.0574 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94-70-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.1297 -0.0450 -0.0022 C 0 0 0
- -0.9398 -0.9378 -0.0004 C 0 0 0
- -0.1111 1.3189 -0.0020 C 0 0 0
- 1.4073 -0.5117 0.0014 O 0 0 0
- -2.2406 -0.4559 0.0017 C 0 0 0
- -0.7024 -2.3172 -0.0011 N 0 0 0
- -1.4105 1.7920 0.0000 C 0 0 0
- 2.2646 0.6316 -0.0017 C 0 0 0
- -2.4725 0.9067 0.0019 C 0 0 0
- 3.7246 0.1741 0.0022 C 0 0 0
- 0.6852 1.9872 0.0000 H 0 0 0
- -3.0408 -1.1195 0.0000 H 0 0 0
- -1.5015 -2.9822 0.0000 H 0 0 0
- 0.2730 -2.6768 0.0000 H 0 0 0
- -1.5893 2.8161 0.0000 H 0 0 0
- 2.6856 1.5821 0.0000 H 0 0 0
- 1.3677 1.1573 0.0000 H 0 0 0
- -3.4477 1.2667 0.0000 H 0 0 0
- 3.4137 -0.8179 0.0000 H 0 0 0
- 4.7166 -0.1368 0.0000 H 0 0 0
- 4.0355 1.1661 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 7 9 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1520-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -2.4834 0.4531 -0.0001 C 0 0 0
- -3.2905 -0.5991 -0.0020 C 0 0 0
- -1.0185 0.2604 -0.0008 C 0 0 0
- -0.1676 1.3669 0.0013 C 0 0 0
- -0.4825 -1.0289 0.0022 C 0 0 0
- 1.1984 1.1840 0.0010 C 0 0 0
- 0.8840 -1.2054 0.0020 C 0 0 0
- 1.7291 -0.1010 -0.0013 C 0 0 0
- 3.1126 -0.2829 -0.0020 N 0 0 0
- -2.8827 1.4166 0.0000 H 0 0 0
- -4.3246 -0.4631 0.0000 H 0 0 0
- -2.8912 -1.5626 0.0000 H 0 0 0
- -0.5652 2.3311 0.0000 H 0 0 0
- -1.1159 -1.8575 0.0000 H 0 0 0
- 1.8347 2.0104 0.0000 H 0 0 0
- 1.2850 -2.1682 0.0000 H 0 0 0
- 3.5119 -1.2464 0.0000 H 0 0 0
- 3.7474 0.5447 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-69-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.2215 0.8139 0.0018 C 0 0 0
- -1.7426 -0.4734 0.0004 C 0 0 0
- 0.1467 1.0037 0.0017 C 0 0 0
- -2.1479 2.0025 -0.0028 C 0 0 0
- -0.8857 -1.5668 -0.0011 C 0 0 0
- -3.1264 -0.6684 0.0010 N 0 0 0
- 0.9978 -0.0871 0.0001 C 0 0 0
- 0.4812 -1.3711 -0.0013 C 0 0 0
- 2.7168 0.1552 0.0000 Cl 0 0 0
- 0.5381 1.9690 0.0000 H 0 0 0
- -1.3264 2.6428 0.0000 H 0 0 0
- -2.7882 2.8240 0.0000 H 0 0 0
- -2.9694 1.3622 0.0000 H 0 0 0
- -1.2739 -2.5333 0.0000 H 0 0 0
- -3.7680 0.1521 0.0000 H 0 0 0
- -3.5162 -1.6343 0.0000 H 0 0 0
- 1.1241 -2.1906 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88020-91-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.1961 0.6039 -0.0663 C 0 0 0
- -0.0055 -0.6741 -0.1172 C 0 0 0
- 1.0728 1.3219 0.0453 C 0 0 0
- -1.4840 1.2854 -0.1164 C 0 0 0
- 1.4450 -0.9086 -0.0409 C 0 0 0
- -1.2159 -1.5100 -0.2312 C 0 0 0
- 2.0826 0.2525 0.0545 C 0 0 0
- 1.0165 2.6290 0.1050 C 0 0 0
- -2.5602 0.5436 -0.2228 C 0 0 0
- -1.4447 2.7558 -0.0419 C 0 0 0
- 2.2261 -2.1596 -0.0554 C 0 0 0
- -2.4004 -0.9264 -0.2741 C 0 0 0
- 3.5505 0.2810 0.1455 C 0 0 0
- -0.2679 3.3467 0.0620 C 0 0 0
- 3.5371 -2.1292 0.0255 C 0 0 0
- -3.6314 -1.7879 -0.3903 C 0 0 0
- 4.2398 -0.8391 0.1328 C 0 0 0
- -4.4770 -1.5651 0.7399 O 0 0 0
- -1.1358 -2.6005 0.0000 H 0 0 0
- 1.9475 3.2025 0.0000 H 0 0 0
- -3.5543 0.9989 0.0000 H 0 0 0
- -2.3676 3.3423 0.0000 H 0 0 0
- 1.7069 -3.1220 0.0000 H 0 0 0
- 4.0746 1.2407 0.0000 H 0 0 0
- -0.2437 4.4399 0.0000 H 0 0 0
- 4.1064 -3.0628 0.0000 H 0 0 0
- -4.1478 -2.7518 0.0000 H 0 0 0
- -2.8137 -2.5138 0.0000 H 0 0 0
- 5.3329 -0.8102 0.0000 H 0 0 0
- -5.5344 -1.2865 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 16 18 1 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 15 17 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98025-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- -2.8865 -0.7102 0.1840 C 0 0 2
- -4.0897 0.1955 0.1284 C 0 0 0
- -1.6113 0.1292 0.0832 C 0 0 0
- -2.9369 -1.6605 -0.9350 N 0 0 0
- -4.6017 0.7017 1.2613 O 0 0 0
- -4.5936 0.4660 -0.9359 O 0 0 0
- -0.1630 -0.9609 0.1501 S 0 0 0
- 1.1255 0.2336 0.0174 C 0 0 0
- 2.3907 -0.1542 0.0258 C 0 0 0
- 0.7352 1.9192 -0.1242 Cl 0 0 0
- 3.6602 1.0226 -0.1049 Cl 0 0 0
- 2.7810 -1.8399 0.1674 Cl 0 0 0
- -1.8933 -1.2799 0.0000 H 0 0 0
- -0.8227 0.9594 0.0000 H 0 0 0
- -2.3460 1.0074 0.0000 H 0 0 0
- -3.9574 -2.1797 0.0000 H 0 0 0
- -1.9770 -2.2847 0.0000 H 0 0 0
- -5.4159 1.5067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 1 0
- 8 9 2 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67411-86-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.3817 0.1322 0.0026 C 0 0 0
- -0.4693 -0.9890 0.0009 C 0 0 0
- 1.8290 -0.0891 0.0018 C 0 0 0
- -0.1574 1.4306 -0.0009 C 0 0 0
- -1.9165 -0.7675 0.0011 C 0 0 0
- 0.0701 -2.2873 -0.0014 C 0 0 0
- 2.3152 -1.4171 -0.0004 C 0 0 0
- 2.7309 0.9788 0.0027 C 0 0 0
- -1.4938 1.6404 -0.0066 C 0 0 0
- 0.7742 2.6151 0.0015 C 0 0 0
- -2.4025 0.5606 0.0031 C 0 0 0
- -2.8187 -1.8351 -0.0012 C 0 0 0
- 1.4065 -2.4969 -0.0024 C 0 0 0
- 3.7013 -1.6377 -0.0013 C 0 0 0
- 4.0727 0.7298 0.0014 C 0 0 0
- 0.0097 3.8224 -0.0027 O 0 0 0
- -3.7885 0.7816 0.0032 C 0 0 0
- -4.1605 -1.5858 -0.0015 C 0 0 0
- 4.5548 -0.5750 0.0000 C 0 0 0
- -4.6423 -0.2809 0.0013 C 0 0 0
- -0.5805 -3.1148 0.0000 H 0 0 0
- 2.3769 1.9701 0.0000 H 0 0 0
- -1.8624 2.6264 0.0000 H 0 0 0
- 1.5227 1.8750 0.0000 H 0 0 0
- 1.5942 3.2752 0.0000 H 0 0 0
- -2.4649 -2.8265 0.0000 H 0 0 0
- 1.7752 -3.4829 0.0000 H 0 0 0
- 4.0801 -2.6198 0.0000 H 0 0 0
- 4.7510 1.5348 0.0000 H 0 0 0
- -0.5535 4.7117 0.0000 H 0 0 0
- -4.1671 1.7638 0.0000 H 0 0 0
- -4.8390 -2.3906 0.0000 H 0 0 0
- 5.5938 -0.7441 0.0000 H 0 0 0
- -5.6812 -0.1115 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 17 20 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 18 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71422-67-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -1.6054 -1.2920 -0.1625 C 0 0 0
- -2.8453 -1.7344 -0.5039 O 0 0 0
- -1.1302 -1.4859 1.1269 C 0 0 0
- -0.8130 -0.6515 -1.1055 C 0 0 0
- -3.7087 -0.7204 -0.2442 C 0 0 0
- 0.1301 -1.0368 1.4740 C 0 0 0
- -2.1189 -2.2922 2.3042 Cl 0 0 0
- 0.4472 -0.2028 -0.7591 C 0 0 0
- -1.4051 -0.4149 -2.7201 Cl 0 0 0
- -5.0654 -0.8886 -0.4989 C 0 0 0
- -3.2530 0.4168 0.2538 N 0 0 0
- 0.9206 -0.3917 0.5326 C 0 0 0
- -5.9352 0.1543 -0.2292 C 0 0 0
- -5.6601 -2.3854 -1.1467 Cl 0 0 0
- -4.0579 1.4279 0.5210 C 0 0 0
- 2.1981 0.0636 0.8842 N 0 0 0
- -5.4152 1.3332 0.2877 C 0 0 0
- 3.2697 -0.3065 0.1554 C 0 0 0
- -6.3237 2.4951 0.5968 C 0 0 0
- 4.4790 0.2287 0.4154 N 0 0 0
- 3.1455 -1.1231 -0.7364 O 0 0 0
- -5.5668 3.5571 1.1032 F 0 0 0
- -6.9744 2.9023 -0.5729 F 0 0 0
- -7.2735 2.1046 1.5469 F 0 0 0
- 5.5505 -0.1415 -0.3134 C 0 0 0
- 6.8736 0.4441 -0.0290 C 0 0 0
- 5.4263 -0.9580 -1.2052 O 0 0 0
- 7.2791 1.6154 -0.6784 C 0 0 0
- 7.7288 -0.1652 0.8964 C 0 0 0
- 8.5209 2.1576 -0.4053 C 0 0 0
- 6.4592 2.2147 -1.5693 F 0 0 0
- 8.9668 0.3908 1.1572 C 0 0 0
- 7.3450 -1.2932 1.5332 F 0 0 0
- 9.3616 1.5460 0.5067 C 0 0 0
- 0.5934 -1.8584 0.0000 H 0 0 0
- 0.4649 0.7403 0.0000 H 0 0 0
- -6.8692 0.0228 0.0000 H 0 0 0
- -3.6781 2.2913 0.0000 H 0 0 0
- 2.1935 1.0068 0.0000 H 0 0 0
- 4.4394 1.1711 0.0000 H 0 0 0
- 8.6232 3.0953 0.0000 H 0 0 0
- 9.6640 -0.2445 0.0000 H 0 0 0
- 10.2609 1.8304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 19 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 25 26 1 0
- 25 27 2 0
- 26 28 2 0
- 26 29 1 0
- 28 30 1 0
- 28 31 1 0
- 29 32 2 0
- 29 33 1 0
- 30 34 2 0
- 8 12 1 0
- 15 17 2 0
- 32 34 1 0
- 6 35 1 0
- 8 36 1 0
- 13 37 1 0
- 15 38 1 0
- 16 39 1 0
- 20 40 1 0
- 30 41 1 0
- 32 42 1 0
- 34 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-580-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.2560 0.5924 -0.0029 C 0 0 0
- -0.5234 -0.7984 -0.0009 C 0 0 0
- 1.0087 1.0286 -0.0022 N 0 0 0
- -1.3329 1.4955 0.0003 C 0 0 0
- 0.5563 -1.7048 0.0014 C 0 0 0
- -1.8526 -1.2490 -0.0007 C 0 0 0
- 2.0218 0.1867 0.0004 C 0 0 0
- -2.6100 1.0242 0.0051 C 0 0 0
- 1.8222 -1.2012 0.0015 C 0 0 0
- -2.8706 -0.3441 -0.0025 C 0 0 0
- 3.3161 0.6847 0.0006 N 0 0 0
- -1.1543 2.5225 0.0000 H 0 0 0
- 0.3904 -2.7339 0.0000 H 0 0 0
- -2.0596 -2.2706 0.0000 H 0 0 0
- -3.4054 1.6979 0.0000 H 0 0 0
- 2.6409 -1.8465 0.0000 H 0 0 0
- -3.8574 -0.6799 0.0000 H 0 0 0
- 4.1267 0.0293 0.0000 H 0 0 0
- 3.4784 1.7144 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-69304-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.8260 -0.5596 0.3736 C 0 0 2
- 1.4478 -1.0488 0.2867 N 0 0 0
- 2.8173 0.8555 0.6620 O 0 0 0
- 3.5020 -0.6762 -1.0106 C 0 0 0
- 1.2152 -2.3704 0.3347 C 0 0 0
- 0.4263 -0.1508 0.1641 C 0 0 0
- 4.1004 1.3432 0.2132 C 0 0 1
- 4.3597 0.6045 -1.1185 C 0 0 1
- -0.0283 -2.8760 0.2591 N 0 0 0
- 2.1562 -3.1318 0.4495 O 0 0 0
- -0.8594 -0.6034 0.0829 C 0 0 0
- 4.0112 2.8482 -0.0475 C 0 0 0
- 5.7406 0.2471 -1.2040 O 0 0 0
- -1.0915 -2.0545 0.1314 C 0 0 0
- -1.9877 0.3402 -0.0497 C 0 0 0
- 3.6827 3.5235 1.1683 O 0 0 0
- -2.2200 -2.5055 0.0624 O 0 0 0
- -3.2366 -0.1089 -0.0127 C 0 0 0
- -4.6813 1.0993 -0.1825 Br 0 0 0
- 2.9128 -1.5771 0.0000 H 0 0 0
- 3.1899 -1.6485 0.0000 H 0 0 0
- 4.4214 -1.1207 0.0000 H 0 0 0
- 0.6205 0.8517 0.0000 H 0 0 0
- 5.1015 1.5445 0.0000 H 0 0 0
- 3.3467 0.7331 0.0000 H 0 0 0
- -0.1666 -3.8878 0.0000 H 0 0 0
- 4.9762 2.5142 0.0000 H 0 0 0
- 4.6889 3.6121 0.0000 H 0 0 0
- 6.7292 -0.0088 0.0000 H 0 0 0
- -1.8093 1.3457 0.0000 H 0 0 0
- 3.2360 4.4418 0.0000 H 0 0 0
- -3.4150 -1.1144 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 18 19 1 0
- 7 8 1 0
- 11 14 1 0
- 1 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2747-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.2506 0.2070 -0.2605 C 0 0 0
- -1.0259 -0.9671 -0.2614 C 0 0 0
- 1.2013 0.0985 -0.1008 C 0 0 0
- -0.8671 1.4537 -0.4164 C 0 0 0
- -2.4016 -0.8747 -0.4121 C 0 0 0
- -0.4267 -2.1684 -0.1167 O 0 0 0
- 1.7405 -1.1401 0.0406 C 0 0 0
- 2.0733 1.3276 -0.0940 C 0 0 0
- -2.2214 1.5261 -0.5691 C 0 0 0
- -2.9957 0.3676 -0.5595 C 0 0 0
- 0.9032 -2.2750 0.0296 C 0 0 0
- 3.9519 0.7971 0.1395 Br 0 0 0
- -4.3427 0.4567 -0.7069 O 0 0 0
- 1.3996 -3.3798 0.1570 O 0 0 0
- -5.1348 0.5080 0.3763 C 0 0 0
- -6.6330 0.4824 0.2161 C 0 0 0
- -4.6462 0.5748 1.4794 O 0 0 0
- -0.2986 2.3167 0.0000 H 0 0 0
- -2.9816 -1.7300 0.0000 H 0 0 0
- 2.7674 -1.2561 0.0000 H 0 0 0
- 2.4654 2.2838 0.0000 H 0 0 0
- 1.1679 1.8259 0.0000 H 0 0 0
- -2.6840 2.4502 0.0000 H 0 0 0
- -6.6507 1.5157 0.0000 H 0 0 0
- -7.6663 0.4647 0.0000 H 0 0 0
- -6.6153 -0.5509 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 7 11 1 0
- 9 10 1 0
- 4 18 1 0
- 5 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 16 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- -1.0198 1.0633 -0.3000 N 0 0 0
- -1.7743 -0.0846 -0.0327 C 0 0 0
- 0.0717 1.3398 0.4406 C 0 0 0
- -1.4130 1.9611 -1.3888 C 0 0 0
- -3.1591 -0.0072 0.0332 C 0 0 0
- -1.1399 -1.3047 0.1616 C 0 0 0
- 1.3014 1.0985 -0.0553 N 0 0 0
- -0.0530 1.8071 1.5562 O 0 0 0
- -2.1915 3.1471 -0.8158 C 0 0 0
- -3.9010 -1.1421 0.2968 C 0 0 0
- -1.8873 -2.4357 0.4247 C 0 0 0
- 1.7708 -0.2162 -0.1531 C 0 0 0
- 2.1467 2.2125 -0.4921 C 0 0 0
- -3.2662 -2.3543 0.4949 C 0 0 0
- 1.4425 -0.9919 -1.2569 C 0 0 0
- 2.5709 -0.7459 0.8511 C 0 0 0
- 2.8311 2.8405 0.7237 C 0 0 0
- 1.9078 -2.2891 -1.3506 C 0 0 0
- 3.0329 -2.0434 0.7514 C 0 0 0
- 2.6997 -2.8152 -0.3468 C 0 0 0
- -0.3976 1.9054 0.0000 H 0 0 0
- -0.9056 2.8424 0.0000 H 0 0 0
- -3.6178 0.9004 0.0000 H 0 0 0
- -0.1244 -1.3578 0.0000 H 0 0 0
- -1.3414 3.7051 0.0000 H 0 0 0
- -2.7495 3.9972 0.0000 H 0 0 0
- -3.0416 2.5891 0.0000 H 0 0 0
- -4.9167 -1.0930 0.0000 H 0 0 0
- -1.4323 -3.3451 0.0000 H 0 0 0
- 1.8670 3.1902 0.0000 H 0 0 0
- 1.1472 2.3998 0.0000 H 0 0 0
- -3.8181 -3.2084 0.0000 H 0 0 0
- 0.4260 -0.9634 0.0000 H 0 0 0
- 3.3717 -0.1192 0.0000 H 0 0 0
- 3.5186 2.0912 0.0000 H 0 0 0
- 3.5804 3.5280 0.0000 H 0 0 0
- 2.1436 3.5898 0.0000 H 0 0 0
- 1.1072 -2.9161 0.0000 H 0 0 0
- 4.0493 -2.0767 0.0000 H 0 0 0
- 2.9890 -3.7901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 10 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 11 14 1 0
- 19 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-84-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.2329 0.3603 -0.2733 C 0 0 0
- 0.6680 -0.9275 -0.5563 C 0 0 0
- 1.1279 1.2989 0.2239 C 0 0 0
- -1.1029 0.7135 -0.4940 N 0 0 0
- 1.9887 -1.2714 -0.3428 C 0 0 0
- 2.4469 0.9489 0.4352 C 0 0 0
- -2.0924 -0.0066 0.0708 C 0 0 0
- 2.8771 -0.3347 0.1523 C 0 0 0
- -3.5300 0.2930 -0.2677 C 0 0 0
- -1.8258 -0.8957 0.8514 O 0 0 0
- -0.0254 -1.6720 0.0000 H 0 0 0
- 0.8517 2.2781 0.0000 H 0 0 0
- -1.2904 1.7135 0.0000 H 0 0 0
- 2.2685 -2.2496 0.0000 H 0 0 0
- 3.1429 1.6910 0.0000 H 0 0 0
- 3.8705 -0.5545 0.0000 H 0 0 0
- -3.3224 1.2890 0.0000 H 0 0 0
- -4.5260 0.5006 0.0000 H 0 0 0
- -3.7376 -0.7030 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-544-16-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.1675 -0.5868 0.0000 C 0 0 0
- -1.3822 0.3435 0.0000 C 0 0 0
- 1.0491 0.2058 0.0000 O 0 0 0
- -2.6641 -0.4916 0.0000 C 0 0 0
- 2.1352 -0.3456 0.0000 N 0 0 0
- -3.8788 0.4387 0.0000 C 0 0 0
- 3.1557 0.3192 0.0000 O 0 0 0
- -0.9434 -1.3920 0.0000 H 0 0 0
- 0.5449 -1.4487 0.0000 H 0 0 0
- -0.6063 1.1487 0.0000 H 0 0 0
- -2.0946 1.2054 0.0000 H 0 0 0
- -3.4400 -1.2968 0.0000 H 0 0 0
- -1.9517 -1.3535 0.0000 H 0 0 0
- -3.1989 1.3265 0.0000 H 0 0 0
- -4.7666 1.1186 0.0000 H 0 0 0
- -4.5587 -0.4491 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 1 8 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-563-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- 0.1683 -1.3288 -0.1610 P 0 0 0
- -1.0526 -2.3587 0.0414 O 0 0 0
- 0.2382 -0.3257 1.0964 O 0 0 0
- 1.5495 -2.1487 -0.2709 O 0 0 0
- -0.0434 -0.5504 -1.4018 O 0 0 0
- -2.1691 -1.6100 0.2406 C 0 0 0
- 0.0861 0.9320 0.6045 C 0 0 0
- 2.5479 -1.2292 -0.3384 C 0 0 0
- -2.8742 -1.1116 -0.8450 C 0 0 0
- -2.6090 -1.3476 1.5301 C 0 0 0
- -1.1647 1.5315 0.6050 C 0 0 0
- 1.1828 1.6206 0.1062 C 0 0 0
- 3.2152 -0.8425 0.8145 C 0 0 0
- 2.9051 -0.6798 -1.5614 C 0 0 0
- -4.0090 -0.3507 -0.6398 C 0 0 0
- -3.7440 -0.5864 1.7300 C 0 0 0
- -1.3168 2.8103 0.1043 C 0 0 0
- 1.0255 2.8987 -0.3932 C 0 0 0
- 4.2299 0.0926 0.7433 C 0 0 0
- 3.9201 0.2546 -1.6273 C 0 0 0
- -4.7756 0.1911 -1.8188 C 0 0 0
- -4.4417 -0.0855 0.6461 C 0 0 0
- -2.6754 3.4623 0.1045 C 0 0 0
- -0.2237 3.4919 -0.3973 C 0 0 0
- 4.9554 0.5132 1.9954 C 0 0 0
- 4.5798 0.6431 -0.4756 C 0 0 0
- -2.3265 -0.3161 0.0000 H 0 0 0
- -3.1256 -2.1637 0.0000 H 0 0 0
- -1.9501 0.9694 0.0000 H 0 0 0
- 2.0551 1.2059 0.0000 H 0 0 0
- 3.7880 -1.6201 0.0000 H 0 0 0
- 2.1674 -0.0564 0.0000 H 0 0 0
- -4.2947 -1.3799 0.0000 H 0 0 0
- 1.8088 3.4638 0.0000 H 0 0 0
- 3.3447 1.0304 0.0000 H 0 0 0
- -4.2182 0.9798 0.0000 H 0 0 0
- -5.5643 0.7485 0.0000 H 0 0 0
- -5.3330 -0.5976 0.0000 H 0 0 0
- -5.2463 0.4488 0.0000 H 0 0 0
- -2.2575 4.3331 0.0000 H 0 0 0
- -3.5462 3.8802 0.0000 H 0 0 0
- -3.0933 2.5915 0.0000 H 0 0 0
- -0.2788 4.4562 0.0000 H 0 0 0
- 5.4398 -0.3224 0.0000 H 0 0 0
- 5.7910 0.9976 0.0000 H 0 0 0
- 4.4710 1.3488 0.0000 H 0 0 0
- 5.2742 1.3144 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 2 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 6 2 0
- 10 6 1 0
- 11 7 2 0
- 12 7 1 0
- 13 8 2 0
- 14 8 1 0
- 15 9 1 0
- 16 10 2 0
- 17 11 1 0
- 18 12 2 0
- 19 13 1 0
- 20 14 2 0
- 21 15 1 0
- 22 15 2 0
- 23 17 1 0
- 24 17 2 0
- 25 19 1 0
- 26 19 2 0
- 16 22 1 0
- 18 24 1 0
- 20 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 16 33 1 0
- 18 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
- 25 44 1 0
- 25 45 1 0
- 25 46 1 0
- 26 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-586-78-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.9399 0.0001 -0.0008 C 0 0 0
- -3.4199 0.0001 -0.0009 N 0 3 0
- -1.2490 1.1972 0.0011 C 0 0 0
- -1.2488 -1.1975 0.0031 C 0 0 0
- -4.0289 -1.0548 -0.0026 O 0 0 0
- -4.0289 1.0549 0.0007 O 0 5 0
- 0.1334 1.1977 0.0012 C 0 0 0
- 0.1332 -1.1980 0.0032 C 0 0 0
- 0.8252 0.0000 -0.0007 C 0 0 0
- 2.7162 0.0000 -0.0005 Br 0 0 0
- -1.7677 2.0951 0.0000 H 0 0 0
- -1.7675 -2.0953 0.0000 H 0 0 0
- 0.6516 2.0958 0.0000 H 0 0 0
- 0.6514 -2.0961 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42373-04-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -1.3994 0.7154 0.1854 C 0 0 0
- -2.4739 1.5550 -0.1206 C 0 0 0
- -0.2929 1.6000 0.5966 C 0 0 0
- -1.3800 -0.6241 0.1234 N 0 0 0
- -3.8022 1.1118 -0.5802 C 0 0 0
- -2.0954 2.8499 0.0745 N 0 0 0
- -0.7848 2.9117 0.5074 C 0 0 0
- 1.0167 1.3710 1.0125 C 0 0 0
- -0.3082 -1.2690 0.4385 N 0 0 0
- -4.8812 1.0879 0.3084 C 0 0 0
- -3.9909 0.7185 -1.9088 C 0 0 0
- -2.9578 4.0136 -0.1446 C 0 0 0
- 0.0488 3.9753 0.8394 C 0 0 0
- 1.8269 2.4379 1.3359 C 0 0 0
- -0.2887 -2.6115 0.3763 C 0 0 0
- -6.1211 0.6719 -0.1292 C 0 0 0
- -5.2365 0.3051 -2.3313 C 0 0 0
- 1.3421 3.7346 1.2505 C 0 0 0
- 0.7262 -3.4608 0.6625 N 0 3 0
- -1.5604 -3.6989 -0.0839 S 0 0 0
- -6.2987 0.2787 -1.4441 C 0 0 0
- 0.5345 -4.7909 0.5329 C 0 0 0
- 2.0212 -2.9409 1.1085 C 0 0 0
- -0.6674 -5.2306 0.1231 C 0 0 0
- 13.5980 0.6370 -0.9518 Cl 0 0 0
- 1.3839 0.4357 0.0000 H 0 0 0
- -5.0541 2.0777 0.0000 H 0 0 0
- -3.3269 -0.0356 0.0000 H 0 0 0
- -2.1506 4.6118 0.0000 H 0 0 0
- -3.5560 4.8208 0.0000 H 0 0 0
- -3.7650 3.4154 0.0000 H 0 0 0
- -0.3061 4.9153 0.0000 H 0 0 0
- 2.8210 2.2919 0.0000 H 0 0 0
- -6.7950 1.4172 0.0000 H 0 0 0
- -5.0639 -0.6847 0.0000 H 0 0 0
- 1.9882 4.5040 0.0000 H 0 0 0
- -7.1360 -0.2767 0.0000 H 0 0 0
- 1.3147 -5.4239 0.0000 H 0 0 0
- 2.3955 -3.8733 0.0000 H 0 0 0
- 2.9536 -2.5666 0.0000 H 0 0 0
- 1.6469 -2.0085 0.0000 H 0 0 0
- -1.0083 -6.1758 0.0000 H 0 0 0
- 14.6027 0.6370 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 15 20 1 0
- 16 21 2 0
- 19 22 1 0
- 19 23 1 0
- 20 24 1 0
- 6 7 1 0
- 14 18 1 0
- 17 21 1 0
- 22 24 2 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-155379-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.4963 -0.0222 0.0029 C 0 0 0
- 0.2408 -1.1897 0.0016 C 0 0 0
- 0.1500 1.2071 0.0022 C 0 0 0
- -1.9751 -0.0807 -0.0012 N 0 3 0
- 1.6286 -1.1347 -0.0004 C 0 0 0
- -0.4605 -2.5235 0.0028 C 0 0 0
- 1.5373 1.2620 0.0002 C 0 0 0
- -0.5974 2.3909 0.0031 N 0 0 0
- -2.5864 -0.1077 1.0520 O 0 0 0
- -2.5809 -0.1018 -1.0576 O 0 5 0
- 2.2747 0.0941 -0.0010 C 0 0 0
- 2.3760 -2.3186 -0.0022 N 0 0 0
- 2.2386 2.5959 -0.0005 C 0 0 0
- -1.3825 -2.0387 0.0000 H 0 0 0
- -0.9453 -3.4455 0.0000 H 0 0 0
- 0.4615 -3.0083 0.0000 H 0 0 0
- -0.1127 3.3129 0.0000 H 0 0 0
- -1.6382 2.3497 0.0000 H 0 0 0
- 3.3155 0.1353 0.0000 H 0 0 0
- 1.8912 -3.2406 0.0000 H 0 0 0
- 3.4168 -2.2774 0.0000 H 0 0 0
- 3.1606 2.1112 0.0000 H 0 0 0
- 2.7233 3.5179 0.0000 H 0 0 0
- 1.3166 3.0806 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 7 11 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57470-96-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 54 1 V2000
- -0.1468 -0.5215 -0.3210 C 0 0 0
- -1.2889 -1.3381 -0.3267 C 0 0 0
- -0.2794 0.8500 -0.4779 C 0 0 0
- 1.0823 -1.0719 -0.1570 O 0 0 0
- -2.5528 -0.7589 -0.4909 C 0 0 0
- -1.1585 -2.7909 -0.1618 C 0 0 0
- -1.5291 1.4124 -0.6391 C 0 0 0
- 2.0243 0.0020 -0.1965 C 0 0 0
- -2.6665 0.6103 -0.6460 C 0 0 0
- -2.3872 -3.6633 -0.1685 C 0 0 0
- -0.0616 -3.2891 -0.0201 O 0 0 0
- 3.4386 -0.5534 -0.0164 C 0 0 0
- -3.9310 1.1923 -0.8110 N 0 0 0
- 4.4472 0.5963 -0.0588 C 0 0 0
- 3.5310 -1.2218 1.2432 O 0 0 0
- -4.9003 0.9672 0.0980 C 0 0 0
- 5.8050 0.0631 0.1141 N 0 0 0
- -6.1483 1.4270 -0.1198 N 0 0 0
- -4.6488 0.3492 1.1145 O 0 0 0
- 6.7192 1.2119 0.0640 C 0 0 0
- -7.2019 1.1823 0.8683 C 0 0 0
- 6.3713 2.1900 1.1879 C 0 0 0
- 8.1593 0.7257 0.2386 C 0 0 0
- 6.5791 1.9166 -1.2869 C 0 0 0
- -8.5121 1.8045 0.3814 C 0 0 0
- 0.5679 1.4577 0.0000 H 0 0 0
- -3.4063 -1.3579 0.0000 H 0 0 0
- -1.6287 2.4504 0.0000 H 0 0 0
- 2.5146 0.9223 0.0000 H 0 0 0
- 1.1665 0.5949 0.0000 H 0 0 0
- -2.9909 -2.8131 0.0000 H 0 0 0
- -3.2374 -4.2670 0.0000 H 0 0 0
- -1.7835 -4.5135 0.0000 H 0 0 0
- 4.4374 -0.8529 0.0000 H 0 0 0
- -3.8253 2.2296 0.0000 H 0 0 0
- 4.9375 1.5166 0.0000 H 0 0 0
- 3.5894 1.1892 0.0000 H 0 0 0
- 3.6738 -2.2547 0.0000 H 0 0 0
- 6.0753 -0.9440 0.0000 H 0 0 0
- -6.0833 2.4677 0.0000 H 0 0 0
- -7.9074 0.4145 0.0000 H 0 0 0
- -6.6766 0.2816 0.0000 H 0 0 0
- 7.3537 2.5394 0.0000 H 0 0 0
- 6.0219 3.1724 0.0000 H 0 0 0
- 5.3889 1.8406 0.0000 H 0 0 0
- 7.8258 -0.2622 0.0000 H 0 0 0
- 9.1472 0.3922 0.0000 H 0 0 0
- 8.4928 1.7136 0.0000 H 0 0 0
- 7.6018 2.1199 0.0000 H 0 0 0
- 6.3758 2.9393 0.0000 H 0 0 0
- 5.5564 1.7133 0.0000 H 0 0 0
- -8.0648 2.7464 0.0000 H 0 0 0
- -9.4540 2.2518 0.0000 H 0 0 0
- -8.9594 0.8626 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 20 24 1 0
- 21 25 1 0
- 7 9 1 0
- 3 26 1 0
- 5 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 10 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 17 39 1 0
- 18 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-518-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.7620 0.6152 0.0741 C 0 0 0
- -0.7741 -0.7948 0.0836 C 0 0 0
- 0.5173 1.3351 0.1937 C 0 0 0
- -1.9642 1.3187 -0.0546 C 0 0 0
- 0.4997 -1.5364 0.2129 C 0 0 0
- -1.9777 -1.4750 -0.0291 C 0 0 0
- 1.7850 0.5930 0.0137 C 0 0 0
- 0.5317 2.5263 0.4374 O 0 0 0
- -3.1613 0.6220 -0.1721 C 0 0 0
- -1.9619 2.6744 -0.0644 O 0 0 0
- 1.7764 -0.8139 0.0233 C 0 0 0
- 0.4970 -2.7238 0.4710 O 0 0 0
- -3.1699 -0.7629 -0.1521 C 0 0 0
- 2.9840 1.2739 -0.1657 C 0 0 0
- 2.9674 -1.5125 -0.1459 C 0 0 0
- -4.3458 -1.4312 -0.2629 O 0 0 0
- 4.1603 0.5637 -0.3333 C 0 0 0
- 4.1522 -0.8193 -0.3228 C 0 0 0
- -1.9902 -2.5129 0.0000 H 0 0 0
- -4.0595 1.1422 0.0000 H 0 0 0
- -1.9601 3.7124 0.0000 H 0 0 0
- 2.9979 2.3118 0.0000 H 0 0 0
- 2.9668 -2.5505 0.0000 H 0 0 0
- -5.2482 -1.9441 0.0000 H 0 0 0
- 5.0657 1.0712 0.0000 H 0 0 0
- 5.0511 -1.3383 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 2 0
- 15 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3524-68-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- 0.0000 -0.8041 -0.2821 C 0 0 0
- -1.2493 -0.9632 0.5867 C 0 0 0
- 0.0000 0.5839 -0.9259 C 0 0 0
- 1.2492 -0.9633 0.5867 C 0 0 0
- 0.0000 -1.8736 -1.3762 C 0 0 0
- -2.4348 -0.8121 -0.2379 O 0 0 0
- 0.0000 1.5990 0.1124 O 0 0 0
- 2.4348 -0.8122 -0.2379 O 0 0 0
- -0.0001 -3.1700 -0.7749 O 0 0 0
- -3.6591 -0.9137 0.3169 C 0 0 0
- 0.0001 2.9049 -0.2217 C 0 0 0
- 3.6591 -0.9139 0.3169 C 0 0 0
- -4.8589 -0.7608 -0.5176 C 0 0 0
- -3.7707 -1.1319 1.5073 O 0 0 0
- 0.0001 3.9321 0.8291 C 0 0 0
- 0.0001 3.2327 -1.3920 O 0 0 0
- 4.8589 -0.7610 -0.5176 C 0 0 0
- 3.7706 -1.1320 1.5073 O 0 0 0
- -6.0677 -0.8611 0.0301 C 0 0 0
- 0.0001 5.2214 0.4993 C 0 0 0
- 6.0676 -0.8614 0.0301 C 0 0 0
- -1.7363 -1.7300 0.0000 H 0 0 0
- -0.7623 -1.7300 0.0000 H 0 0 0
- -0.7867 1.0381 0.0000 H 0 0 0
- -0.7867 0.1297 0.0000 H 0 0 0
- 0.7622 -1.7301 0.0000 H 0 0 0
- 1.7362 -1.7301 0.0000 H 0 0 0
- 0.7867 -2.3278 0.0000 H 0 0 0
- 0.7867 -1.4194 0.0000 H 0 0 0
- -0.0002 -4.0784 0.0000 H 0 0 0
- -4.8389 0.1474 0.0000 H 0 0 0
- -0.9083 3.9321 0.0000 H 0 0 0
- 4.8390 0.1472 0.0000 H 0 0 0
- -6.5854 -0.1147 0.0000 H 0 0 0
- -6.4553 -1.6826 0.0000 H 0 0 0
- 0.7868 5.6756 0.0000 H 0 0 0
- -0.7866 5.6756 0.0000 H 0 0 0
- 6.4551 -1.6830 0.0000 H 0 0 0
- 6.5854 -0.1150 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 11 16 2 0
- 12 17 1 0
- 12 18 2 0
- 13 19 2 0
- 15 20 2 0
- 17 21 2 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 9 30 1 0
- 13 31 1 0
- 15 32 1 0
- 17 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-634-90-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.8669 -0.0001 0.0018 C 0 0 0
- -0.1746 -1.1987 0.0011 C 0 0 0
- -0.1743 1.1989 0.0016 C 0 0 0
- -2.6029 0.0000 -0.0041 Cl 0 0 0
- 1.2088 -1.1982 0.0001 C 0 0 0
- -1.0422 -2.7024 0.0020 Cl 0 0 0
- 1.2087 1.1983 0.0005 C 0 0 0
- -1.0418 2.7026 0.0019 Cl 0 0 0
- 1.9002 -0.0002 -0.0002 C 0 0 0
- 3.6362 -0.0002 -0.0015 Cl 0 0 0
- 1.7282 -2.0973 0.0000 H 0 0 0
- 1.7282 2.0973 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 5 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4651-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 69 1 V2000
- -0.0892 -2.9562 -0.0914 C 0 0 0
- 0.9282 -1.8322 -0.2974 C 0 0 0
- 0.7048 -0.7180 0.7612 C 0 0 0
- 2.3312 -2.3391 0.0189 C 0 0 0
- 0.7292 -1.2013 -1.6611 C 0 0 0
- -0.7787 -0.4009 0.7512 C 0 0 0
- 1.2297 -1.3920 2.0337 C 0 0 0
- 3.3595 -1.5061 -0.7490 C 0 0 0
- 2.5148 -2.1117 1.5404 C 0 0 0
- -0.7426 -0.7645 -1.7535 C 0 0 0
- -1.1115 0.1916 -0.6237 C 0 0 0
- -1.0995 0.6178 1.8225 C 0 0 0
- 3.3965 -0.0876 -0.1768 C 0 0 0
- 4.7414 -2.1479 -0.6107 C 0 0 0
- -2.5644 0.6011 -0.7189 C 0 0 0
- -0.4021 0.7454 2.8001 O 0 0 0
- -2.3375 1.4739 1.6142 C 0 0 0
- 4.4248 0.7454 -0.9447 C 0 0 0
- -2.6158 1.9892 -1.3603 C 0 0 0
- -3.2318 0.6995 0.6491 C 0 0 0
- -3.3934 -0.3414 -1.5885 C 0 0 0
- 4.4612 2.1426 -0.3811 C 0 0 0
- -4.6026 1.3502 0.4888 C 0 0 0
- -4.7832 0.2851 -1.7735 C 0 0 0
- 3.7388 2.4414 0.5402 O 0 0 0
- 5.2961 3.0551 -0.9026 O 0 0 0
- -5.4574 0.4694 -0.4297 C 0 0 0
- -5.6404 -0.8125 0.1747 O 0 0 0
- -0.8092 -2.3045 0.0000 H 0 0 0
- -0.7409 -3.6762 0.0000 H 0 0 0
- 0.6308 -3.6079 0.0000 H 0 0 0
- 1.2206 0.1049 0.0000 H 0 0 0
- 2.4927 -3.2967 0.0000 H 0 0 0
- 1.6948 -1.0971 0.0000 H 0 0 0
- 0.8170 -0.2341 0.0000 H 0 0 0
- -1.3546 -1.1829 0.0000 H 0 0 0
- 0.2940 -1.6519 0.0000 H 0 0 0
- 1.1136 -2.3562 0.0000 H 0 0 0
- 2.4884 -1.0767 0.0000 H 0 0 0
- 3.3035 -2.6783 0.0000 H 0 0 0
- 3.0362 -1.2924 0.0000 H 0 0 0
- -1.7030 -0.9090 0.0000 H 0 0 0
- -0.8101 -1.7333 0.0000 H 0 0 0
- -0.5108 0.9547 0.0000 H 0 0 0
- 2.9783 0.7889 0.0000 H 0 0 0
- 2.4466 -0.2896 0.0000 H 0 0 0
- 4.3323 -3.0287 0.0000 H 0 0 0
- 5.6222 -2.5570 0.0000 H 0 0 0
- 5.1505 -1.2671 0.0000 H 0 0 0
- -1.7200 2.2235 0.0000 H 0 0 0
- -3.0326 2.1521 0.0000 H 0 0 0
- 4.8430 -0.1311 0.0000 H 0 0 0
- 5.3747 0.9475 0.0000 H 0 0 0
- -1.6453 2.0251 0.0000 H 0 0 0
- -2.6517 2.9597 0.0000 H 0 0 0
- -3.5863 1.9533 0.0000 H 0 0 0
- -3.5140 -0.2298 0.0000 H 0 0 0
- -3.8783 -1.1828 0.0000 H 0 0 0
- -2.6042 -0.9074 0.0000 H 0 0 0
- -4.0931 2.1770 0.0000 H 0 0 0
- -5.3690 1.9467 0.0000 H 0 0 0
- -4.0256 0.8927 0.0000 H 0 0 0
- -4.9805 1.2360 0.0000 H 0 0 0
- 5.9517 3.7716 0.0000 H 0 0 0
- -6.3293 0.8972 0.0000 H 0 0 0
- -5.7776 -1.7739 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 1 0
- 13 8 1 0
- 14 8 1 0
- 15 11 1 0
- 16 12 2 0
- 17 12 1 0
- 18 13 1 0
- 19 15 1 0
- 20 15 1 0
- 21 15 1 0
- 22 18 1 0
- 23 20 1 0
- 24 21 1 0
- 25 22 2 0
- 26 22 1 0
- 27 23 1 0
- 28 27 1 0
- 7 9 1 0
- 10 11 1 0
- 17 20 1 0
- 24 27 1 0
- 1 29 1 0
- 1 30 1 0
- 1 31 1 0
- 3 32 1 0
- 4 33 1 0
- 5 34 1 0
- 5 35 1 0
- 6 36 1 0
- 7 37 1 0
- 7 38 1 0
- 8 39 1 0
- 9 40 1 0
- 9 41 1 0
- 10 42 1 0
- 10 43 1 0
- 11 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 14 48 1 0
- 14 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 19 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 21 58 1 0
- 21 59 1 0
- 23 60 1 0
- 23 61 1 0
- 24 62 1 0
- 24 63 1 0
- 26 64 1 0
- 27 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-81-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.7761 -0.3321 0.0019 C 0 0 0
- -0.6785 -0.5135 -0.0040 C 0 0 0
- 1.2961 0.9818 -0.0004 C 0 0 0
- 1.6489 -1.4217 0.0156 C 0 0 0
- -1.5054 0.6328 -0.0118 C 0 0 0
- -1.2568 -1.7838 -0.0025 C 0 0 0
- 0.4151 2.0883 -0.0079 C 0 0 0
- 2.6859 1.1669 0.0052 C 0 0 0
- 2.9979 -1.2083 0.0212 C 0 0 0
- -0.9228 1.9216 -0.0143 C 0 0 0
- -2.8977 0.4709 -0.0175 C 0 0 0
- -2.6173 -1.9082 -0.0087 C 0 0 0
- 0.9740 3.4590 -0.0098 N 0 3 0
- 3.5133 0.0824 0.0128 C 0 0 0
- 3.9215 -2.3650 0.0356 N 0 3 0
- -3.4336 -0.7838 -0.0155 C 0 0 0
- 0.5473 4.2918 0.7699 O 0 0 0
- 1.8606 3.7540 -0.7911 O 0 5 0
- 5.1258 -2.1826 0.0407 O 0 0 0
- 3.4773 -3.4990 0.0425 O 0 5 0
- -4.9045 -0.9495 -0.0210 N 0 3 0
- -5.3916 -2.0658 -0.0192 O 0 0 0
- -5.6277 0.0305 -0.0274 O 0 5 0
- 1.2727 -2.3938 0.0000 H 0 0 0
- -0.6534 -2.6337 0.0000 H 0 0 0
- 3.0854 2.1297 0.0000 H 0 0 0
- -1.5412 2.7607 0.0000 H 0 0 0
- -3.5214 1.3061 0.0000 H 0 0 0
- -3.0479 -2.8575 0.0000 H 0 0 0
- 4.5460 0.2236 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 2 0
- 13 18 1 0
- 15 19 2 0
- 15 20 1 0
- 16 21 1 0
- 21 22 2 0
- 21 23 1 0
- 7 10 2 0
- 9 14 1 0
- 12 16 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98644-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- 0.2995 -1.4995 0.0353 C 0 0 0
- -0.8812 -0.7743 -0.4371 C 0 0 0
- 1.3699 -0.8155 0.5867 C 0 0 0
- 0.3251 -2.9638 -0.0941 C 0 0 0
- -0.9363 0.6111 -0.3359 C 0 0 0
- -1.9957 -1.5240 -1.0145 C 0 0 0
- 1.3199 0.5779 0.6916 C 0 0 0
- 2.5818 -1.5688 1.0714 C 0 0 0
- -0.7819 -3.6247 -0.6663 C 0 0 0
- 1.4263 -3.7035 0.3400 C 0 0 0
- 0.1407 1.3067 0.2189 C 0 0 0
- -2.1511 1.3585 -0.8224 C 0 0 0
- -1.9452 -2.8657 -1.1145 C 0 0 0
- 2.3906 1.3065 1.2471 C 0 0 0
- 2.5543 -1.6480 2.4979 O 0 0 0
- -0.7557 -5.0211 -0.7888 C 0 0 0
- 1.4224 -5.0735 0.2056 C 0 0 0
- 0.1193 2.7114 0.3378 C 0 0 0
- -3.0928 1.4832 0.2451 O 0 0 0
- 2.3071 2.6601 1.3329 C 0 0 0
- 0.3315 -5.7236 -0.3572 C 0 0 0
- 1.1850 3.3541 0.8831 C 0 0 0
- -4.2890 2.2431 -0.3100 S 0 0 0
- -3.8215 3.5585 -0.5754 O 0 0 0
- -4.8892 1.3758 -1.2622 O 0 0 0
- -5.3018 2.3838 0.8174 O 0 0 0
- 13.0924 3.0059 -1.4560 Na 0 3 0
- -2.8936 -1.0673 0.0000 H 0 0 0
- 3.5064 -1.9687 0.0000 H 0 0 0
- 3.0489 -0.6763 0.0000 H 0 0 0
- 2.3160 -3.2310 0.0000 H 0 0 0
- -1.3404 1.9566 0.0000 H 0 0 0
- -2.4023 2.3341 0.0000 H 0 0 0
- -2.8218 -3.3620 0.0000 H 0 0 0
- 3.2951 0.8630 0.0000 H 0 0 0
- 2.2239 -2.5997 0.0000 H 0 0 0
- -1.6359 -5.5111 0.0000 H 0 0 0
- 2.2976 -5.5724 0.0000 H 0 0 0
- -0.7616 3.2001 0.0000 H 0 0 0
- 3.1715 3.1774 0.0000 H 0 0 0
- 0.3132 -6.7308 0.0000 H 0 0 0
- 1.1907 4.3615 0.0000 H 0 0 0
- -6.2996 2.5224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 2 0
- 19 23 1 0
- 23 24 2 0
- 23 25 2 0
- 23 26 1 0
- 7 11 2 0
- 9 13 1 0
- 17 21 1 0
- 20 22 1 0
- 6 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 26 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68641-49-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.4719 -0.0173 0.0539 N 0 0 0
- 0.0469 0.7429 0.3383 P 0 0 0
- 1.7228 -1.3137 0.2826 C 0 0 0
- 2.6811 0.6111 -0.4997 C 0 0 0
- -1.1812 -0.1457 -0.2876 N 0 0 0
- -0.1483 0.8954 1.7974 O 0 0 0
- 0.0714 2.6198 -0.5578 Cl 0 0 0
- 2.9668 -1.6883 -0.0358 O 0 0 0
- 0.8959 -2.0788 0.7380 O 0 0 0
- 3.7015 -0.5422 -0.5550 C 0 0 0
- -2.3142 -0.4681 0.3513 C 0 0 0
- -1.2215 -0.7133 -1.6439 C 0 0 0
- -3.1587 -1.2020 -0.3819 O 0 0 0
- -2.5525 -0.1255 1.4925 O 0 0 0
- -2.5803 -1.4380 -1.6982 C 0 0 0
- 3.4675 1.1998 0.0000 H 0 0 0
- 2.1585 1.4429 0.0000 H 0 0 0
- 4.4762 -1.1462 0.0000 H 0 0 0
- 4.3742 0.1737 0.0000 H 0 0 0
- -0.9284 -1.6509 0.0000 H 0 0 0
- -0.2457 -0.5995 0.0000 H 0 0 0
- -3.1499 -2.2384 0.0000 H 0 0 0
- -1.9317 -2.1758 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 8 10 1 0
- 13 15 1 0
- 4 16 1 0
- 4 17 1 0
- 10 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 15 22 1 0
- 15 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107534-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 83 87 1 V2000
- 6.6000 0.4949 -0.3403 C 0 0 1
- 6.2293 -0.1111 1.0262 C 0 0 2
- 7.9064 -0.1515 -0.8142 C 0 0 2
- 5.5202 0.2335 -1.3871 C 0 0 0
- 4.8751 0.4493 1.4231 C 0 0 1
- 7.2774 0.3449 2.0478 C 0 0 0
- 8.9427 -0.1171 0.2692 C 0 0 0
- 8.3908 0.5490 -2.0771 C 0 0 0
- 7.6222 -1.6133 -1.1652 C 0 0 0
- 4.1322 0.6865 -0.9115 C 0 0 0
- 3.8422 -0.0546 0.3807 C 0 0 2
- 4.2904 -0.0966 2.7304 C 0 0 0
- 8.6597 0.0987 1.5273 C 0 0 0
- 10.2846 -0.3358 -0.0933 N 0 0 0
- 9.7213 1.2597 -1.8630 C 0 0 0
- 2.5014 0.2491 1.0426 C 0 0 2
- 3.9960 -1.5632 0.1775 C 0 0 0
- 2.7686 0.1671 2.5662 C 0 0 0
- 10.7089 0.3309 -1.1985 C 0 0 0
- 1.5345 -0.7664 0.6655 O 0 0 0
- 11.8324 0.1865 -1.6322 O 0 0 0
- 0.2311 -0.4556 0.5863 C 0 0 0
- -0.7724 -1.5096 0.1949 C 0 0 0
- -0.1376 0.6692 0.8287 O 0 0 0
- -2.1748 -0.8981 0.1804 C 0 0 0
- -3.1937 -1.9682 -0.2169 C 0 0 0
- -4.5750 -1.3659 -0.2312 C 0 0 0
- -5.0669 -0.7957 -1.3907 C 0 0 0
- -5.3500 -1.3898 0.9141 C 0 0 0
- -6.3326 -0.2428 -1.4073 C 0 0 0
- -6.6161 -0.8389 0.9045 C 0 0 0
- -7.1113 -0.2600 -0.2574 C 0 0 0
- -8.3914 0.2986 -0.2704 N 0 0 0
- -8.6117 1.6382 0.2802 C 0 0 0
- -9.5138 -0.4551 -0.8348 C 0 0 0
- -7.9853 2.6805 -0.6484 C 0 0 0
- -10.0702 -1.4099 0.2233 C 0 0 0
- -8.2564 4.3292 0.0293 Cl 0 0 0
- -11.4515 -2.3375 -0.4713 Cl 0 0 0
- 6.7126 1.5054 0.0000 H 0 0 0
- 6.2385 -1.1279 0.0000 H 0 0 0
- 4.9010 -0.5730 0.0000 H 0 0 0
- 6.0747 -0.6188 0.0000 H 0 0 0
- 4.8438 1.4656 0.0000 H 0 0 0
- 7.7687 1.2351 0.0000 H 0 0 0
- 6.5930 1.0969 0.0000 H 0 0 0
- 8.2636 1.5578 0.0000 H 0 0 0
- 7.4031 0.7905 0.0000 H 0 0 0
- 6.6241 -1.4192 0.0000 H 0 0 0
- 7.4281 -2.6114 0.0000 H 0 0 0
- 8.6203 -1.8074 0.0000 H 0 0 0
- 4.4662 1.6469 0.0000 H 0 0 0
- 3.1784 1.0388 0.0000 H 0 0 0
- 3.9061 -1.0380 0.0000 H 0 0 0
- 5.1275 -0.6738 0.0000 H 0 0 0
- 9.0686 1.0297 0.0000 H 0 0 0
- 10.7004 -1.2637 0.0000 H 0 0 0
- 10.4940 1.9206 0.0000 H 0 0 0
- 9.1479 2.0994 0.0000 H 0 0 0
- 2.2072 1.2224 0.0000 H 0 0 0
- 2.9844 -1.6663 0.0000 H 0 0 0
- 4.0991 -2.5748 0.0000 H 0 0 0
- 5.0076 -1.4601 0.0000 H 0 0 0
- 2.0540 -0.5563 0.0000 H 0 0 0
- 3.0787 -0.8012 0.0000 H 0 0 0
- -1.2844 -2.3881 0.0000 H 0 0 0
- 0.0406 -2.1203 0.0000 H 0 0 0
- -1.6627 -0.0196 0.0000 H 0 0 0
- -2.9877 -0.2873 0.0000 H 0 0 0
- -3.7058 -2.8467 0.0000 H 0 0 0
- -2.3808 -2.5790 0.0000 H 0 0 0
- -4.4634 0.0226 0.0000 H 0 0 0
- -5.5418 -2.3883 0.0000 H 0 0 0
- -6.1357 0.7548 0.0000 H 0 0 0
- -7.2207 -1.6564 0.0000 H 0 0 0
- -9.2979 2.3885 0.0000 H 0 0 0
- -9.5264 1.1942 0.0000 H 0 0 0
- -9.7341 0.5376 0.0000 H 0 0 0
- -10.5185 -0.2985 0.0000 H 0 0 0
- -7.2991 1.9301 0.0000 H 0 0 0
- -7.0706 3.1245 0.0000 H 0 0 0
- -9.8499 -2.4026 0.0000 H 0 0 0
- -9.0655 -1.5665 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 16 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 22 24 2 0
- 23 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 2 0
- 27 29 1 0
- 28 30 1 0
- 29 31 2 0
- 30 32 2 0
- 32 33 1 0
- 33 34 1 0
- 33 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 37 39 1 0
- 7 13 2 0
- 10 11 1 0
- 15 19 1 0
- 16 18 1 0
- 31 32 1 0
- 1 40 1 0
- 2 41 1 0
- 4 42 1 0
- 4 43 1 0
- 5 44 1 0
- 6 45 1 0
- 6 46 1 0
- 8 47 1 0
- 8 48 1 0
- 9 49 1 0
- 9 50 1 0
- 9 51 1 0
- 10 52 1 0
- 10 53 1 0
- 12 54 1 0
- 12 55 1 0
- 13 56 1 0
- 14 57 1 0
- 15 58 1 0
- 15 59 1 0
- 16 60 1 0
- 17 61 1 0
- 17 62 1 0
- 17 63 1 0
- 18 64 1 0
- 18 65 1 0
- 23 66 1 0
- 23 67 1 0
- 25 68 1 0
- 25 69 1 0
- 26 70 1 0
- 26 71 1 0
- 28 72 1 0
- 29 73 1 0
- 30 74 1 0
- 31 75 1 0
- 34 76 1 0
- 34 77 1 0
- 35 78 1 0
- 35 79 1 0
- 36 80 1 0
- 36 81 1 0
- 37 82 1 0
- 37 83 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142-09-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -1.1536 -0.2405 0.0000 O 0 0 0
- -2.3593 0.3624 0.0000 C 0 0 0
- 0.0581 0.5596 0.0000 C 0 0 0
- -3.5856 -0.4473 0.0000 C 0 0 0
- -2.4321 1.5755 0.0000 O 0 0 0
- 1.2785 -0.3633 0.0000 C 0 0 0
- -3.4953 -1.9516 0.0000 C 0 0 0
- -4.7759 0.1479 0.0000 C 0 0 0
- 2.5553 0.4798 0.0000 C 0 0 0
- 3.7757 -0.4431 0.0000 C 0 0 0
- 5.0525 0.4000 0.0000 C 0 0 0
- 6.2729 -0.5229 0.0000 C 0 0 0
- 0.8373 1.3783 0.0000 H 0 0 0
- -0.6673 1.4264 0.0000 H 0 0 0
- 0.4993 -1.1820 0.0000 H 0 0 0
- 2.0039 -1.2301 0.0000 H 0 0 0
- -4.6235 -2.0193 0.0000 H 0 0 0
- -3.4276 -3.0798 0.0000 H 0 0 0
- -2.3671 -1.8839 0.0000 H 0 0 0
- -4.8436 1.2761 0.0000 H 0 0 0
- -5.7191 -0.4748 0.0000 H 0 0 0
- 3.3345 1.2985 0.0000 H 0 0 0
- 1.8299 1.3466 0.0000 H 0 0 0
- 2.9965 -1.2618 0.0000 H 0 0 0
- 4.5011 -1.3099 0.0000 H 0 0 0
- 5.8317 1.2187 0.0000 H 0 0 0
- 4.3271 1.2668 0.0000 H 0 0 0
- 5.5912 -1.4244 0.0000 H 0 0 0
- 7.1744 -1.2046 0.0000 H 0 0 0
- 6.9546 0.3786 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 6 1 0
- 10 9 1 0
- 11 10 1 0
- 12 11 1 0
- 3 13 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5405-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.7419 -0.5879 -0.0011 C 0 0 0
- -0.7420 -0.5880 -0.0007 C 0 0 0
- 1.2055 0.7246 -0.0005 C 0 0 0
- 1.6607 -1.6391 0.0033 C 0 0 0
- -1.2057 0.7249 0.0001 C 0 0 0
- -1.6605 -1.6389 -0.0011 C 0 0 0
- 0.0000 1.6324 0.0003 C 0 0 0
- 2.5600 0.9831 -0.0003 C 0 0 0
- 3.0137 -1.3711 0.0018 C 0 0 0
- -2.5597 0.9834 0.0002 C 0 0 0
- -3.0139 -1.3708 -0.0006 C 0 0 0
- 3.4650 -0.0634 -0.0006 C 0 0 0
- -3.4650 -0.0635 -0.0005 C 0 0 0
- 4.9184 0.2167 -0.0004 N 0 3 0
- -4.9185 0.2166 0.0001 N 0 3 0
- 5.7160 -0.7038 -0.0008 O 0 0 0
- 5.3169 1.3677 0.0001 O 0 5 0
- -5.7160 -0.7039 -0.0006 O 0 0 0
- -5.3169 1.3676 0.0012 O 0 5 0
- 1.3259 -2.6213 0.0000 H 0 0 0
- -1.3257 -2.6211 0.0000 H 0 0 0
- 0.6988 2.3995 0.0000 H 0 0 0
- -0.6986 2.3997 0.0000 H 0 0 0
- 2.9008 1.9632 0.0000 H 0 0 0
- 3.6956 -2.1533 0.0000 H 0 0 0
- -2.9004 1.9635 0.0000 H 0 0 0
- -3.6958 -2.1529 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 2 0
- 15 19 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6943-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.9173 -2.2260 -0.3370 O 0 0 0
- -2.3683 -1.1135 -0.1679 C 0 0 0
- -1.6438 -0.0004 0.0006 N 0 0 0
- -3.8393 -0.7620 -0.1203 C 0 0 0
- -2.3683 1.1127 0.1695 C 0 0 0
- -0.2414 -0.0003 0.0001 C 0 0 0
- -3.8393 0.7624 0.1136 C 0 0 0
- -1.9173 2.2252 0.3383 O 0 0 0
- 0.4534 1.0283 -0.6208 C 0 0 0
- 0.4541 -1.0263 0.6258 C 0 0 0
- 1.8348 1.0262 -0.6200 C 0 0 0
- 1.8350 -1.0241 0.6240 C 0 0 0
- 2.5257 -0.0003 -0.0008 C 0 0 0
- 4.2617 -0.0005 -0.0019 Cl 0 0 0
- -4.8323 -0.6842 0.0000 H 0 0 0
- -3.9944 -1.7459 0.0000 H 0 0 0
- -3.9939 1.7464 0.0000 H 0 0 0
- -4.8324 0.6849 0.0000 H 0 0 0
- -0.0133 1.9083 0.0000 H 0 0 0
- -0.0118 -1.9067 0.0000 H 0 0 0
- 2.3035 1.9051 0.0000 H 0 0 0
- 2.3033 -1.9032 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 2 0
- 10 6 1 0
- 11 9 1 0
- 12 10 2 0
- 13 11 2 0
- 14 13 1 0
- 5 7 1 0
- 12 13 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-928-51-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 1.3868 -0.4385 0.0000 C 0 0 0
- 0.0451 0.2969 0.0000 C 0 0 0
- 2.5273 0.5813 0.0000 C 0 0 0
- -1.0954 -0.7230 0.0000 C 0 0 0
- 3.7804 -0.1055 0.0000 O 0 0 0
- -2.6765 0.1436 0.0000 Cl 0 0 0
- 0.7250 -1.3760 0.0000 H 0 0 0
- 2.2435 -1.2020 0.0000 H 0 0 0
- 0.7068 1.2344 0.0000 H 0 0 0
- -0.8116 1.0603 0.0000 H 0 0 0
- 3.1890 1.5188 0.0000 H 0 0 0
- 1.6706 1.3448 0.0000 H 0 0 0
- -1.7571 -1.6605 0.0000 H 0 0 0
- -0.2387 -1.4864 0.0000 H 0 0 0
- 4.7867 -0.6570 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-548-93-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.5253 -0.3564 -0.0522 C 0 0 0
- -0.4767 0.6202 0.0463 C 0 0 0
- 1.9450 0.0359 -0.0474 C 0 0 0
- 0.1686 -1.7054 -0.1493 C 0 0 0
- -1.8163 0.2354 0.0405 C 0 0 0
- -0.1356 1.9645 0.1496 N 0 0 0
- 2.7301 -0.2879 0.9990 O 0 0 0
- 2.4084 0.6516 -0.9871 O 0 0 0
- -1.1597 -2.0686 -0.1477 C 0 0 0
- -2.1506 -1.1032 -0.0620 C 0 0 0
- -2.7946 1.1754 0.1361 O 0 0 0
- 0.9054 -2.4360 0.0000 H 0 0 0
- 0.8630 2.2464 0.0000 H 0 0 0
- -0.8790 2.6883 0.0000 H 0 0 0
- 3.6893 -0.6835 0.0000 H 0 0 0
- -1.4191 -3.0732 0.0000 H 0 0 0
- -3.1487 -1.3868 0.0000 H 0 0 0
- -3.5428 1.8943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 9 10 2 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19406-51-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 1.1984 0.0829 0.0016 C 0 0 0
- 0.0002 -0.6057 -0.0390 C 0 0 0
- 1.2020 1.4616 0.0853 C 0 0 0
- 2.4789 -0.6585 -0.0386 N 0 3 0
- -1.1985 0.0829 0.0045 C 0 0 0
- 0.0002 -2.1099 -0.1305 C 0 0 0
- 0.0001 2.1563 0.1288 C 0 0 0
- 2.8007 -1.3692 0.8967 O 0 0 0
- 3.2107 -0.5580 -1.0071 O 0 5 0
- -1.2022 1.4612 0.0879 C 0 0 0
- -2.4789 -0.6585 -0.0387 N 0 3 0
- 0.0000 3.5504 0.2135 N 0 0 0
- -3.2092 -0.5566 -1.0081 O 0 0 0
- -2.8022 -1.3705 0.8952 O 0 5 0
- 2.1006 1.9785 0.0000 H 0 0 0
- -1.0364 -2.1099 0.0000 H 0 0 0
- 0.0002 -3.1465 0.0000 H 0 0 0
- 1.0368 -2.1099 0.0000 H 0 0 0
- -2.1008 1.9780 0.0000 H 0 0 0
- 0.8977 4.0688 0.0000 H 0 0 0
- -0.8978 4.0687 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 2 0
- 11 14 1 0
- 7 10 1 0
- 3 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-126-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- -0.0035 -0.6995 -0.2044 P 0 0 0
- -1.3174 -0.8438 0.7148 O 0 0 0
- -0.0098 0.7390 -0.9275 O 0 0 0
- 1.3117 -0.8324 0.7146 O 0 0 0
- 0.0011 -1.7670 -1.2296 O 0 0 0
- -2.4331 -0.9444 -0.1723 C 0 0 0
- 0.0100 1.7224 0.1091 C 0 0 0
- 2.4247 -0.9580 -0.1728 C 0 0 0
- -3.7209 -1.0847 0.6418 C 0 0 0
- 0.0052 3.1199 -0.5137 C 0 0 0
- 3.7137 -1.0890 0.6411 C 0 0 0
- -4.9155 -1.1924 -0.3081 C 0 0 0
- 0.0263 4.1729 0.5962 C 0 0 0
- 4.9053 -1.2234 -0.3090 C 0 0 0
- -6.2033 -1.3327 0.5061 C 0 0 0
- 0.0215 5.5704 -0.0266 C 0 0 0
- 6.1942 -1.3544 0.5049 C 0 0 0
- -2.0303 -0.0603 0.0000 H 0 0 0
- -3.0023 -0.1570 0.0000 H 0 0 0
- 0.8454 1.2263 0.0000 H 0 0 0
- 0.8535 2.2045 0.0000 H 0 0 0
- 1.8505 -1.7417 0.0000 H 0 0 0
- 2.8196 -1.8457 0.0000 H 0 0 0
- -4.1237 -1.9688 0.0000 H 0 0 0
- -3.1517 -1.8721 0.0000 H 0 0 0
- -0.8302 3.6159 0.0000 H 0 0 0
- -0.8383 2.6378 0.0000 H 0 0 0
- 4.2878 -0.3052 0.0000 H 0 0 0
- 3.3187 -0.2013 0.0000 H 0 0 0
- -4.5127 -0.3083 0.0000 H 0 0 0
- -5.4847 -0.4050 0.0000 H 0 0 0
- 0.8617 3.6769 0.0000 H 0 0 0
- 0.8698 4.6550 0.0000 H 0 0 0
- 4.3312 -2.0072 0.0000 H 0 0 0
- 5.3003 -2.1111 0.0000 H 0 0 0
- -6.3085 -0.3669 0.0000 H 0 0 0
- -7.1691 -1.4379 0.0000 H 0 0 0
- -6.0981 -2.2985 0.0000 H 0 0 0
- 0.9931 5.5737 0.0000 H 0 0 0
- 0.0182 6.5420 0.0000 H 0 0 0
- -0.9501 5.5671 0.0000 H 0 0 0
- 6.0960 -2.3210 0.0000 H 0 0 0
- 7.1608 -1.4526 0.0000 H 0 0 0
- 6.2924 -0.3878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 16 41 1 0
- 17 42 1 0
- 17 43 1 0
- 17 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-542-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.4701 -0.6873 -0.2128 C 0 0 0
- -1.6918 0.0345 0.3594 C 0 0 0
- 0.7345 0.0374 0.1509 O 0 0 0
- -1.7587 1.4532 -0.2095 C 0 0 0
- -2.9610 -0.7291 -0.0238 C 0 0 0
- 1.8237 -0.3726 -0.2084 N 0 0 0
- 2.8341 0.2353 0.0967 O 0 0 0
- -1.1516 -1.4983 0.0000 H 0 0 0
- 0.2178 -1.4928 0.0000 H 0 0 0
- -0.7844 0.5811 0.0000 H 0 0 0
- -0.7006 1.5031 0.0000 H 0 0 0
- -1.8086 2.5113 0.0000 H 0 0 0
- -2.8168 1.4033 0.0000 H 0 0 0
- -3.5071 0.1786 0.0000 H 0 0 0
- -3.8687 -1.2752 0.0000 H 0 0 0
- -2.4149 -1.6368 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 6 7 2 0
- 1 8 1 0
- 1 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-35-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -2.4716 0.9262 -0.0003 Cl 0 0 0
- -1.1574 -0.2081 -0.0015 C 0 0 0
- 0.1803 0.2334 -0.0006 C 0 0 0
- -1.3916 -1.5557 0.0024 C 0 0 0
- 1.2207 -0.7283 -0.0011 C 0 0 0
- 0.4991 1.6007 0.0004 C 0 0 0
- -0.3220 -2.4464 0.0019 C 0 0 0
- 0.9221 -2.0314 -0.0020 N 0 0 0
- 2.5565 -0.2900 -0.0002 C 0 0 0
- 1.8046 1.9871 0.0007 C 0 0 0
- 2.8297 1.0431 0.0011 C 0 0 0
- -2.3720 -1.9160 0.0000 H 0 0 0
- -0.2609 2.3173 0.0000 H 0 0 0
- -0.5154 -3.4729 0.0000 H 0 0 0
- 3.3363 -0.9850 0.0000 H 0 0 0
- 2.0409 3.0046 0.0000 H 0 0 0
- 3.8237 1.3639 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 9 2 0
- 7 8 1 0
- 10 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-48134-75-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.3194 -0.0001 -0.0016 C 0 0 0
- -1.1643 0.0004 -0.0019 C 0 0 0
- 1.0377 1.1241 -0.4191 C 0 0 0
- 1.0367 -1.1222 0.4216 C 0 0 0
- -1.8639 -1.1369 -0.4014 C 0 0 0
- -1.8633 1.1357 0.4026 C 0 0 0
- 2.4165 1.0812 -0.4031 C 0 0 0
- 2.4160 -1.0801 0.4058 C 0 0 0
- -3.2439 -1.1311 -0.3993 C 0 0 0
- -3.2436 1.1304 0.4008 C 0 0 0
- 3.0558 -0.0007 -0.0011 N 0 3 0
- -3.9328 0.0008 -0.0016 C 0 0 0
- 4.5208 -0.0013 -0.0013 C 0 0 0
- 0.5705 2.0094 0.0000 H 0 0 0
- 0.5694 -2.0074 0.0000 H 0 0 0
- -1.3774 -2.0117 0.0000 H 0 0 0
- -1.3768 2.0105 0.0000 H 0 0 0
- 2.9261 1.9428 0.0000 H 0 0 0
- 2.9247 -1.9422 0.0000 H 0 0 0
- -3.7362 -2.0027 0.0000 H 0 0 0
- -3.7352 2.0024 0.0000 H 0 0 0
- -4.9338 0.0013 0.0000 H 0 0 0
- 4.5204 -1.0023 0.0000 H 0 0 0
- 5.5218 -0.0017 0.0000 H 0 0 0
- 4.5212 0.9997 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 8 11 2 0
- 10 12 2 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-36-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.1886 -0.0303 0.7097 C 0 0 0
- -0.5725 -1.0361 0.1302 C 0 0 0
- 1.4814 -0.2688 1.0561 O 0 0 0
- -0.3699 1.2201 0.9296 C 0 0 0
- -1.8869 -0.7909 -0.2215 C 0 0 0
- 0.1255 -2.6001 -0.1530 Cl 0 0 0
- 2.2494 -0.2081 -0.1475 C 0 0 0
- -1.6821 1.4624 0.5718 C 0 0 0
- -2.4430 0.4557 0.0038 C 0 0 0
- 2.7755 1.1912 -0.3376 C 0 0 0
- 3.4225 -1.1857 -0.0537 C 0 0 0
- -4.0936 0.7613 -0.4387 Cl 0 0 0
- 3.5290 1.4851 -1.4089 O 0 0 0
- 2.5192 2.0485 0.4742 O 0 0 0
- 0.2496 2.0074 0.0000 H 0 0 0
- -2.5073 -1.5775 0.0000 H 0 0 0
- 1.9458 -1.1628 0.0000 H 0 0 0
- -2.0448 2.3962 0.0000 H 0 0 0
- 2.7812 -1.9553 0.0000 H 0 0 0
- 4.1921 -1.8270 0.0000 H 0 0 0
- 4.0638 -0.4161 0.0000 H 0 0 0
- 4.4623 1.8491 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 8 9 1 0
- 4 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1937-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 71 76 1 V2000
- -7.6698 -0.6552 -0.1492 C 0 0 0
- -9.0518 -0.9303 -0.0193 C 0 0 0
- -6.7185 -1.7644 -0.0942 C 0 0 0
- -7.2398 0.6685 -0.3332 C 0 0 0
- -9.9723 0.1302 -0.0711 C 0 0 0
- -9.4816 -2.2584 0.1589 C 0 0 0
- -5.3851 -1.5415 -0.2143 N 0 0 0
- -7.2143 -3.0617 0.0858 C 0 0 0
- -8.1727 1.6826 -0.3846 C 0 0 0
- -5.9163 0.9479 -0.4590 O 0 0 0
- -9.5293 1.4064 -0.2450 C 0 0 0
- -8.5877 -3.2801 0.2078 C 0 0 0
- -4.5812 -1.9188 0.7214 N 0 0 0
- -6.3357 -4.1360 0.1421 N 0 0 0
- -10.6938 2.7272 -0.3083 S 0 0 0
- -3.2407 -1.6948 0.6006 C 0 0 0
- -10.1129 3.7141 -1.1496 O 0 0 0
- -11.9604 2.1158 -0.5109 O 0 0 0
- -10.7522 3.3493 1.0796 O 0 0 0
- -2.3680 -2.1038 1.6152 C 0 0 0
- -2.7365 -1.0609 -0.5406 C 0 0 0
- -1.0167 -1.8757 1.4892 C 0 0 0
- -1.3952 -0.8361 -0.6626 C 0 0 0
- -0.5215 -1.2375 0.3501 C 0 0 0
- 0.9323 -0.9915 0.2133 C 0 0 0
- 1.5546 -1.1593 -1.0255 C 0 0 0
- 1.6786 -0.5864 1.3219 C 0 0 0
- 2.9058 -0.9303 -1.1512 C 0 0 0
- 3.0195 -0.3585 1.2001 C 0 0 0
- 3.6508 -0.5301 -0.0366 C 0 0 0
- 4.9915 -0.3024 -0.1569 N 0 0 0
- 5.6778 0.0666 0.8712 N 0 0 0
- 7.0142 0.2936 0.7514 C 0 0 0
- 7.7547 0.6933 1.8675 C 0 0 0
- 7.6455 0.1191 -0.4948 C 0 0 0
- 9.1393 0.9246 1.7286 C 0 0 0
- 7.1361 0.8607 3.0955 N 0 0 0
- 8.9758 0.3387 -0.6389 C 0 0 0
- 9.7520 0.7478 0.4633 C 0 0 0
- 9.9204 1.3276 2.8234 C 0 0 0
- 9.7371 0.1112 -2.2116 S 0 0 0
- 11.1305 0.9796 0.3298 C 0 0 0
- 11.2551 1.5434 2.6567 C 0 0 0
- 10.2769 1.3770 -2.5660 O 0 0 0
- 10.4752 -1.0989 -2.1118 O 0 0 0
- 8.6288 -0.1623 -3.2183 O 0 0 0
- 11.8580 1.3698 1.4133 C 0 0 0
- -10.9682 -0.0617 0.0000 H 0 0 0
- -10.4751 -2.4628 0.0000 H 0 0 0
- -7.8603 2.6475 0.0000 H 0 0 0
- -4.9239 1.1574 0.0000 H 0 0 0
- -8.9328 -4.2339 0.0000 H 0 0 0
- -6.6946 -5.0846 0.0000 H 0 0 0
- -5.3347 -3.9725 0.0000 H 0 0 0
- -10.8470 4.3591 0.0000 H 0 0 0
- -2.5050 -3.1088 0.0000 H 0 0 0
- -3.2514 -0.1871 0.0000 H 0 0 0
- -0.4960 -2.7461 0.0000 H 0 0 0
- -1.2614 0.1693 0.0000 H 0 0 0
- 1.5062 -2.1724 0.0000 H 0 0 0
- 1.3472 0.3722 0.0000 H 0 0 0
- 3.2349 -1.8897 0.0000 H 0 0 0
- 3.0687 0.6546 0.0000 H 0 0 0
- 7.5917 -0.8937 0.0000 H 0 0 0
- 6.8760 1.8411 0.0000 H 0 0 0
- 6.4171 0.1453 0.0000 H 0 0 0
- 9.6030 2.2909 0.0000 H 0 0 0
- 11.4586 0.0199 0.0000 H 0 0 0
- 11.3160 2.5558 0.0000 H 0 0 0
- 7.6441 -0.4053 0.0000 H 0 0 0
- 12.8666 1.4771 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 24 25 1 0
- 25 26 2 0
- 25 27 1 0
- 26 28 1 0
- 27 29 2 0
- 28 30 2 0
- 30 31 1 0
- 31 32 2 0
- 32 33 1 0
- 33 34 1 0
- 33 35 2 0
- 34 36 2 0
- 34 37 1 0
- 35 38 1 0
- 36 39 1 0
- 36 40 1 0
- 38 41 1 0
- 39 42 1 0
- 40 43 2 0
- 41 44 2 0
- 41 45 2 0
- 41 46 1 0
- 42 47 2 0
- 8 12 2 0
- 9 11 1 0
- 23 24 1 0
- 29 30 1 0
- 38 39 2 0
- 43 47 1 0
- 5 48 1 0
- 6 49 1 0
- 9 50 1 0
- 10 51 1 0
- 12 52 1 0
- 14 53 1 0
- 14 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 23 59 1 0
- 26 60 1 0
- 27 61 1 0
- 28 62 1 0
- 29 63 1 0
- 35 64 1 0
- 37 65 1 0
- 37 66 1 0
- 40 67 1 0
- 42 68 1 0
- 43 69 1 0
- 46 70 1 0
- 47 71 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105837-00-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.1479 0.1680 -0.0068 C 0 0 0
- -1.1479 -1.3000 -0.0034 C 0 0 0
- -0.0001 0.8368 -0.0067 N 0 0 0
- -2.3864 0.8456 -0.0042 C 0 0 0
- -0.0001 -1.9688 0.0003 N 0 0 0
- -2.3863 -1.9777 -0.0037 C 0 0 0
- 1.1480 0.1679 -0.0034 C 0 0 0
- -3.5408 0.1319 0.0012 C 0 0 0
- 1.1480 -1.2998 0.0009 C 0 0 0
- -3.5408 -1.2641 -0.0070 C 0 0 0
- 2.3863 0.8455 -0.0027 C 0 0 0
- -4.8337 0.8526 0.0043 N 0 3 0
- 2.3862 -1.9776 0.0046 C 0 0 0
- 3.5408 0.1319 0.0012 C 0 0 0
- -5.8792 0.2278 0.0092 O 0 0 0
- -4.8520 2.0705 0.0020 O 0 5 0
- 3.5408 -1.2641 0.0049 C 0 0 0
- 4.8337 0.8526 0.0014 N 0 3 0
- 5.8792 0.2278 0.0049 O 0 0 0
- 4.8520 2.0705 -0.0017 O 0 5 0
- -2.4134 1.8632 0.0000 H 0 0 0
- -2.4132 -2.9953 0.0000 H 0 0 0
- -4.4299 -1.7598 0.0000 H 0 0 0
- 2.4132 1.8631 0.0000 H 0 0 0
- 2.4130 -2.9952 0.0000 H 0 0 0
- 4.4299 -1.7598 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 4 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-191-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 42 1 V2000
- -0.4799 1.3252 0.0022 C 0 0 0
- -1.3878 0.2472 0.0018 C 0 0 0
- 0.9078 1.0782 0.0017 C 0 0 0
- -0.9602 2.6519 -0.0028 C 0 0 0
- -0.9078 -1.0782 0.0009 C 0 0 0
- -2.7769 0.4944 0.0019 C 0 0 0
- 1.3877 -0.2470 0.0007 C 0 0 0
- 1.8167 2.1574 0.0017 C 0 0 0
- -2.3523 2.8690 -0.0077 C 0 0 0
- -0.0299 3.7095 -0.0022 C 0 0 0
- 0.4798 -1.3252 -0.0002 C 0 0 0
- -1.8166 -2.1575 0.0005 C 0 0 0
- -3.2279 1.8292 0.0028 C 0 0 0
- -3.6606 -0.6023 0.0006 C 0 0 0
- 2.7768 -0.4944 -0.0003 C 0 0 0
- 1.3087 3.4711 0.0027 C 0 0 0
- 3.1981 1.8807 0.0003 C 0 0 0
- 0.9602 -2.6519 -0.0011 C 0 0 0
- -3.1977 -1.8808 0.0006 C 0 0 0
- -1.3085 -3.4716 -0.0004 C 0 0 0
- 3.6609 0.6026 0.0003 C 0 0 0
- 3.2277 -1.8288 -0.0013 C 0 0 0
- 0.0298 -3.7099 -0.0015 C 0 0 0
- 2.3519 -2.8689 -0.0012 C 0 0 0
- -2.7227 3.8587 0.0000 H 0 0 0
- -0.3789 4.7069 0.0000 H 0 0 0
- -4.2662 2.0257 0.0000 H 0 0 0
- -4.7029 -0.4283 0.0000 H 0 0 0
- 1.9805 4.2867 0.0000 H 0 0 0
- 3.8873 2.6817 0.0000 H 0 0 0
- -3.8869 -2.6818 0.0000 H 0 0 0
- -1.9803 -4.2872 0.0000 H 0 0 0
- 4.7032 0.4286 0.0000 H 0 0 0
- 4.2660 -2.0252 0.0000 H 0 0 0
- 0.3788 -4.7073 0.0000 H 0 0 0
- 2.7223 -3.8585 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 2 0
- 12 20 1 0
- 15 21 1 0
- 15 22 2 0
- 18 23 1 0
- 18 24 2 0
- 7 11 1 0
- 9 13 2 0
- 10 16 1 0
- 14 19 1 0
- 17 21 2 0
- 20 23 2 0
- 22 24 1 0
- 9 25 1 0
- 10 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19246-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.1637 -0.8283 0.0151 C 0 0 0
- -0.9427 -0.0743 0.1697 N 0 0 0
- 1.5031 -0.3013 0.4614 C 0 0 2
- 0.0805 -1.9330 -0.4785 O 0 0 0
- -2.2448 -0.5866 -0.2642 C 0 0 0
- 2.1655 0.4517 -0.6941 C 0 0 0
- 2.3593 -1.4230 0.8696 N 0 0 0
- -3.3089 0.4425 0.0181 C 0 0 0
- 3.7779 1.0861 -0.1569 S 0 0 0
- -4.5885 0.1890 -0.2982 O 0 0 0
- -3.0102 1.4958 0.5292 O 0 0 0
- -0.8283 0.9461 0.0000 H 0 0 0
- 0.9131 0.5391 0.0000 H 0 0 0
- -3.0562 -1.2159 0.0000 H 0 0 0
- -1.7370 -1.4791 0.0000 H 0 0 0
- 2.1558 1.4785 0.0000 H 0 0 0
- 1.2031 0.8096 0.0000 H 0 0 0
- 1.9640 -2.3706 0.0000 H 0 0 0
- 3.3777 -1.2916 0.0000 H 0 0 0
- 4.7334 1.4620 0.0000 H 0 0 0
- -5.5957 -0.0105 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.8776 0.1586 -0.0034 C 0 0 0
- -0.1989 -0.7028 -0.0033 C 0 0 0
- 0.6731 1.5276 -0.0009 C 0 0 0
- 2.2554 -0.3819 0.0000 N 0 3 0
- -1.5002 -0.1900 -0.0006 C 0 0 0
- -0.6113 2.0427 0.0017 C 0 0 0
- 3.2075 0.3777 0.0000 O 0 0 0
- 2.4371 -1.5863 0.0029 O 0 5 0
- -1.6984 1.1942 0.0019 C 0 0 0
- -2.6548 -1.1026 -0.0010 C 0 0 0
- -3.7816 -0.6547 0.0013 O 0 0 0
- -0.0441 -1.7291 0.0000 H 0 0 0
- 1.4874 2.1712 0.0000 H 0 0 0
- -0.7568 3.0703 0.0000 H 0 0 0
- -2.6611 1.5820 0.0000 H 0 0 0
- -2.5046 -2.1295 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 2 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3048-12-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.0735 0.5534 0.3695 C 0 0 0
- -1.7419 -0.4923 -0.3388 O 0 0 0
- 0.4173 0.3686 0.2490 C 0 0 0
- -3.0755 -0.2739 -0.1952 C 0 0 0
- 1.1910 1.3545 -0.3336 C 0 0 0
- 1.0117 -0.7848 0.7265 C 0 0 0
- -3.9881 -1.1383 -0.7817 C 0 0 0
- -3.5265 0.8108 0.5431 C 0 0 0
- 2.5587 1.1849 -0.4442 C 0 0 0
- 2.3789 -0.9543 0.6160 C 0 0 0
- -5.3435 -0.9141 -0.6343 C 0 0 0
- -4.8825 1.0306 0.6876 C 0 0 0
- 3.1522 0.0294 0.0279 C 0 0 0
- -5.7903 0.1707 0.0971 C 0 0 0
- 4.6164 -0.1521 -0.0905 N 0 3 0
- 5.1394 -1.1704 0.3256 O 0 0 0
- 5.2983 0.7168 -0.6039 O 0 5 0
- -0.8163 1.4762 0.0000 H 0 0 0
- -1.9481 0.9443 0.0000 H 0 0 0
- 0.8259 2.2401 0.0000 H 0 0 0
- 0.4636 -1.5705 0.0000 H 0 0 0
- -3.7076 -2.0543 0.0000 H 0 0 0
- -2.9326 1.5624 0.0000 H 0 0 0
- 3.1074 1.9702 0.0000 H 0 0 0
- 2.7436 -1.8401 0.0000 H 0 0 0
- -5.9399 -1.6638 0.0000 H 0 0 0
- -5.1645 1.9461 0.0000 H 0 0 0
- -6.7270 0.3712 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 14 11 2 0
- 15 13 1 0
- 16 15 2 0
- 17 15 1 0
- 10 13 1 0
- 12 14 1 0
- 1 18 1 0
- 1 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-124489-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.0172 0.3374 -0.0537 C 0 0 0
- 1.3925 -0.9970 0.1270 C 0 0 0
- 2.1824 1.0954 -0.1562 N 0 0 0
- -0.3282 0.6675 -0.0933 C 0 0 0
- 2.7816 -1.0405 0.1330 N 0 0 0
- 0.4724 -1.9420 0.2549 N 0 0 0
- 3.2563 0.2407 -0.0404 C 0 0 0
- 2.2525 2.5455 -0.3521 C 0 0 0
- -1.2657 -0.3602 0.0508 C 0 0 0
- -0.8155 -1.6677 0.2177 C 0 0 0
- 4.5117 0.5866 -0.0872 N 0 0 0
- -2.7190 -0.0634 0.0162 C 0 0 0
- 5.5223 -0.3963 0.0460 O 0 0 0
- -3.5936 -0.9272 -0.6397 C 0 0 0
- -3.2150 1.0775 0.6444 C 0 0 0
- -4.9448 -0.6464 -0.6684 C 0 0 0
- -4.5676 1.3484 0.6094 C 0 0 0
- -5.4308 0.4900 -0.0477 C 0 0 0
- -0.6294 1.6575 0.0000 H 0 0 0
- 3.3593 -1.8990 0.0000 H 0 0 0
- 3.2861 2.4955 0.0000 H 0 0 0
- 2.3025 3.5791 0.0000 H 0 0 0
- 1.2189 2.5955 0.0000 H 0 0 0
- -1.5014 -2.4426 0.0000 H 0 0 0
- 6.2641 -1.1178 0.0000 H 0 0 0
- -3.3005 -1.9197 0.0000 H 0 0 0
- -2.5650 1.8827 0.0000 H 0 0 0
- -5.6001 -1.4473 0.0000 H 0 0 0
- -4.8660 2.3393 0.0000 H 0 0 0
- -6.4466 0.6875 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 7 11 2 0
- 9 12 1 0
- 11 13 1 0
- 12 14 2 0
- 12 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 5 7 1 0
- 9 10 1 0
- 17 18 1 0
- 4 19 1 0
- 5 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2880-58-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.9739 -0.8996 -0.0001 O 0 0 0
- -1.7312 -2.3079 -0.0020 C 0 0 0
- -0.7634 -0.2941 -0.0014 C 0 0 0
- -0.6724 1.1877 0.0001 C 0 0 0
- 0.3640 -1.0355 0.0014 C 0 0 0
- -1.6834 1.8594 0.0030 O 0 0 0
- 0.6510 1.8423 -0.0015 C 0 0 0
- 1.6753 -0.3768 -0.0001 C 0 0 0
- 1.7656 1.0993 -0.0042 C 0 0 0
- 2.6899 -1.0462 0.0029 O 0 0 0
- -2.7595 -2.4851 0.0000 H 0 0 0
- -1.5540 -3.3362 0.0000 H 0 0 0
- -0.7029 -2.1307 0.0000 H 0 0 0
- 0.3034 -2.0772 0.0000 H 0 0 0
- 0.7181 2.8836 0.0000 H 0 0 0
- 2.7002 1.5634 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 1 0
- 5 3 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 7 2 0
- 10 8 2 0
- 8 9 1 0
- 2 11 1 0
- 2 12 1 0
- 2 13 1 0
- 5 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107673-64-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -1.0137 0.8538 0.0027 C 0 0 0
- -0.3098 -0.4156 0.0019 C 0 0 0
- -0.1217 1.9254 0.0023 C 0 0 0
- -2.3992 0.9786 -0.0016 C 0 0 0
- 1.1264 -0.0662 0.0006 C 0 0 0
- -1.0549 -1.5568 0.0025 C 0 0 0
- 1.2357 1.3446 0.0014 C 0 0 0
- -0.6783 3.1973 0.0027 C 0 0 0
- -3.1716 -0.2660 -0.0061 C 0 0 0
- -2.9303 2.2697 -0.0009 C 0 0 0
- 2.2808 -0.8434 -0.0011 C 0 0 0
- -2.4703 -1.4987 0.0047 C 0 0 0
- 2.5008 1.9280 0.0021 C 0 0 0
- -2.0612 3.3453 0.0036 C 0 0 0
- -4.5660 -0.2597 -0.0104 C 0 0 0
- 3.5224 -0.2427 -0.0008 C 0 0 0
- -3.2113 -2.6941 0.0082 C 0 0 0
- 3.6312 1.1383 0.0010 C 0 0 0
- -5.2523 -1.4406 -0.0127 C 0 0 0
- 4.7446 -1.0777 -0.0021 N 0 3 0
- -4.5729 -2.6533 0.0093 C 0 0 0
- 5.8425 -0.5503 -0.0018 O 0 0 0
- 4.6524 -2.2922 -0.0034 O 0 5 0
- -0.5769 -2.4847 0.0000 H 0 0 0
- -0.0613 4.0392 0.0000 H 0 0 0
- -3.9631 2.4202 0.0000 H 0 0 0
- 2.2068 -1.8845 0.0000 H 0 0 0
- 2.5934 2.9676 0.0000 H 0 0 0
- -2.4602 4.3098 0.0000 H 0 0 0
- -5.0845 0.6461 0.0000 H 0 0 0
- -2.7174 -3.6136 0.0000 H 0 0 0
- 4.5750 1.5840 0.0000 H 0 0 0
- -6.2960 -1.4324 0.0000 H 0 0 0
- -5.1140 -3.5458 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 17 21 2 0
- 20 22 2 0
- 20 23 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 16 18 1 0
- 19 21 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6548-29-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 83 1 V2000
- -8.5798 4.6949 -0.4470 C 0 0 0
- -9.6343 5.6392 -0.4817 C 0 0 0
- -8.9054 3.2692 -0.4805 C 0 0 0
- -7.2548 5.1392 -0.3761 C 0 0 0
- -10.9665 5.1912 -0.5467 C 0 0 0
- -9.3281 7.0099 -0.4498 C 0 0 0
- -10.2525 2.8929 -0.5457 C 0 0 0
- -7.9237 2.3323 -0.4495 N 0 0 0
- -6.9933 6.4773 -0.3411 C 0 0 0
- -11.2550 3.8642 -0.5768 C 0 0 0
- -8.0272 7.4087 -0.3863 C 0 0 0
- -10.5930 1.5471 -0.5792 N 0 0 0
- -6.9881 2.4074 0.4353 N 0 0 0
- -12.9399 3.3548 -0.6577 S 0 0 0
- -7.6478 9.1289 -0.3465 S 0 0 0
- -6.0015 1.4658 0.4665 C 0 0 0
- -13.1900 3.0642 -2.0260 O 0 0 0
- -13.1217 2.4491 0.4220 O 0 0 0
- -13.7983 4.5678 -0.3290 O 0 0 0
- -7.6258 9.4877 1.0283 O 0 0 0
- -6.5750 9.3089 -1.2608 O 0 0 0
- -8.8329 9.8703 -0.9484 O 0 0 0
- -4.9849 1.5465 1.4271 C 0 0 0
- -6.0068 0.4150 -0.4570 C 0 0 0
- -3.9913 0.5933 1.4541 C 0 0 0
- -4.9780 2.8441 2.5803 Cl 0 0 0
- -5.0196 -0.5284 -0.4270 C 0 0 0
- -4.0011 -0.4490 0.5247 C 0 0 0
- -2.9332 -1.4744 0.5523 C 0 0 0
- -3.2482 -2.8154 0.3253 C 0 0 0
- -1.6112 -1.0980 0.7996 C 0 0 0
- -2.2537 -3.7682 0.3508 C 0 0 0
- -0.6226 -2.0394 0.8256 C 0 0 0
- -0.9302 -3.3865 0.6045 C 0 0 0
- -2.6395 -5.4371 0.0687 Cl 0 0 0
- 0.0585 -4.3261 0.6308 N 0 0 0
- 1.2772 -3.9737 0.8645 N 0 0 0
- 2.2609 -4.9085 0.8907 C 0 0 0
- 2.3939 -5.8851 -0.1906 C 0 0 0
- 3.1747 -4.9565 1.9501 C 0 0 0
- 3.4342 -6.8433 -0.1239 C 0 0 0
- 1.5183 -5.8890 -1.2816 C 0 0 0
- 4.1835 -5.9223 1.9682 C 0 0 0
- 3.0780 -4.0391 2.9879 N 0 0 0
- 4.3150 -6.8378 0.9739 C 0 0 0
- 3.5672 -7.7834 -1.1587 C 0 0 0
- 1.6762 -6.8161 -2.2699 C 0 0 0
- 5.3164 -5.9533 3.3174 S 0 0 0
- 2.6971 -7.7599 -2.2071 C 0 0 0
- 6.2838 -4.9523 3.0323 O 0 0 0
- 4.5175 -6.0146 4.4910 O 0 0 0
- 6.0620 -7.2787 3.2551 O 0 0 0
- 2.8677 -8.9413 -3.5031 S 0 0 0
- 2.0746 -10.0553 -3.1170 O 0 0 0
- 2.7252 -8.2102 -4.7132 O 0 0 0
- 4.3081 -9.4328 -3.4841 O 0 0 0
- 18.3589 2.3905 -0.6770 Na 0 3 0
- 26.4323 5.5237 -0.6334 Na 0 3 0
- 34.5058 8.6569 -0.5899 Na 0 3 0
- 42.5793 11.7901 -0.5463 Na 0 3 0
- -6.4858 4.4646 0.0000 H 0 0 0
- -11.7286 5.8736 0.0000 H 0 0 0
- -10.0790 7.7046 0.0000 H 0 0 0
- -6.0230 6.8013 0.0000 H 0 0 0
- -11.5773 1.2685 0.0000 H 0 0 0
- -9.8596 0.8339 0.0000 H 0 0 0
- -6.9484 0.0152 0.0000 H 0 0 0
- -3.0484 0.9901 0.0000 H 0 0 0
- -5.3631 -1.4920 0.0000 H 0 0 0
- -4.2290 -3.1060 0.0000 H 0 0 0
- -1.3663 -0.1048 0.0000 H 0 0 0
- 0.3569 -1.7443 0.0000 H 0 0 0
- 0.7351 -5.2309 0.0000 H 0 0 0
- 3.9054 -3.4376 0.0000 H 0 0 0
- 2.1433 -3.6233 0.0000 H 0 0 0
- 5.0901 -7.5053 0.0000 H 0 0 0
- 4.3304 -8.4645 0.0000 H 0 0 0
- 0.7768 -7.3035 0.0000 H 0 0 0
- -14.3892 5.4028 0.0000 H 0 0 0
- -9.7001 10.4128 0.0000 H 0 0 0
- 6.5636 -8.1703 0.0000 H 0 0 0
- 5.2763 -9.7632 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 2 0
- 14 18 2 0
- 14 19 1 0
- 15 20 2 0
- 15 21 2 0
- 15 22 1 0
- 16 23 1 0
- 16 24 2 0
- 23 25 2 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 28 29 1 0
- 29 30 2 0
- 29 31 1 0
- 30 32 1 0
- 31 33 2 0
- 32 34 2 0
- 32 35 1 0
- 34 36 1 0
- 36 37 2 0
- 37 38 1 0
- 38 39 1 0
- 38 40 2 0
- 39 41 1 0
- 39 42 2 0
- 40 43 1 0
- 40 44 1 0
- 41 45 1 0
- 41 46 2 0
- 42 47 1 0
- 43 48 1 0
- 46 49 1 0
- 48 50 2 0
- 48 51 2 0
- 48 52 1 0
- 49 53 1 0
- 53 54 2 0
- 53 55 2 0
- 53 56 1 0
- 7 10 2 0
- 9 11 1 0
- 27 28 2 0
- 33 34 1 0
- 43 45 2 0
- 47 49 2 0
- 4 61 1 0
- 5 62 1 0
- 6 63 1 0
- 9 64 1 0
- 12 65 1 0
- 12 66 1 0
- 24 67 1 0
- 25 68 1 0
- 27 69 1 0
- 30 70 1 0
- 31 71 1 0
- 33 72 1 0
- 42 73 1 0
- 44 74 1 0
- 44 75 1 0
- 45 76 1 0
- 46 77 1 0
- 47 78 1 0
- 19 79 1 0
- 22 80 1 0
- 52 81 1 0
- 56 82 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-55-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.4057 -0.6089 0.1628 C 0 0 0
- -1.6052 0.0438 -0.3784 N 0 0 0
- 0.8372 0.1769 -0.2598 C 0 0 0
- -2.7560 -0.7561 0.0615 C 0 0 0
- -1.7157 1.3465 0.2916 C 0 0 0
- 2.0866 -0.5029 0.3040 C 0 0 0
- 3.2799 0.2516 -0.1018 N 0 0 0
- -1.0591 -1.4372 0.0000 H 0 0 0
- 0.3005 -1.3927 0.0000 H 0 0 0
- 1.4906 1.0052 0.0000 H 0 0 0
- 0.1310 0.9607 0.0000 H 0 0 0
- -3.3581 0.1102 0.0000 H 0 0 0
- -3.6223 -1.3582 0.0000 H 0 0 0
- -2.1539 -1.6224 0.0000 H 0 0 0
- -0.6645 1.4357 0.0000 H 0 0 0
- -1.8049 2.3977 0.0000 H 0 0 0
- -2.7669 1.2573 0.0000 H 0 0 0
- 1.4332 -1.3312 0.0000 H 0 0 0
- 2.7928 -1.2867 0.0000 H 0 0 0
- 4.2140 -0.2387 0.0000 H 0 0 0
- 3.2375 1.3057 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 6 7 1 0
- 1 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6483-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -2.3352 -0.2653 -0.0161 C 0 0 0
- -1.7947 -1.5635 -0.0221 C 0 0 0
- -1.4388 0.9096 0.0073 C 0 0 0
- -3.7166 -0.0939 -0.0266 C 0 0 0
- -0.3293 -1.7551 -0.0043 C 0 0 0
- -2.6461 -2.6645 -0.0443 C 0 0 0
- 0.0266 0.7180 0.0246 C 0 0 0
- -1.9059 2.0312 0.0121 O 0 0 0
- -4.5488 -1.1996 -0.0428 C 0 0 0
- -4.2945 1.2688 -0.0200 N 0 3 0
- 0.5672 -0.5802 0.0197 C 0 0 0
- 0.1378 -2.8767 -0.0091 O 0 0 0
- -4.0171 -2.4760 -0.0603 C 0 0 0
- 0.8780 1.8190 0.0474 C 0 0 0
- -5.1037 1.5830 0.8344 O 0 0 0
- -3.9608 2.0760 -0.8689 O 0 5 0
- 1.9484 -0.7517 0.0365 C 0 0 0
- 2.2491 1.6305 0.0640 C 0 0 0
- 2.7806 0.3539 0.0589 C 0 0 0
- 4.5286 0.1335 0.0807 S 0 0 0
- 5.0000 0.0910 -1.3659 O 0 0 0
- 5.0622 1.3325 0.6256 O 0 0 0
- 4.7467 -1.1726 0.5963 O 0 0 0
- -2.2534 -3.6254 0.0000 H 0 0 0
- -5.5787 -1.0699 0.0000 H 0 0 0
- -4.6505 -3.2983 0.0000 H 0 0 0
- 0.4853 2.7799 0.0000 H 0 0 0
- 2.3536 -1.7073 0.0000 H 0 0 0
- 2.8826 2.4528 0.0000 H 0 0 0
- 6.0338 -0.0022 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 14 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 20 22 2 0
- 20 23 2 0
- 7 11 2 0
- 9 13 1 0
- 18 19 1 0
- 6 24 1 0
- 9 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
- 18 29 1 0
- 21 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-334-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.0000 -0.7495 0.0000 N 0 0 0
- -1.1786 0.1274 0.0000 C 0 0 0
- 1.1786 0.1274 0.0000 C 0 0 0
- -2.4488 -0.7255 0.0000 C 0 0 0
- 2.4488 -0.7255 0.0000 C 0 0 0
- -3.8953 0.3507 0.0000 Cl 0 0 0
- 3.8953 0.3507 0.0000 Cl 0 0 0
- 0.0000 -1.8970 0.0000 H 0 0 0
- -0.3940 0.9647 0.0000 H 0 0 0
- -1.9219 1.0016 0.0000 H 0 0 0
- 1.9219 1.0016 0.0000 H 0 0 0
- 0.3940 0.9647 0.0000 H 0 0 0
- -3.2334 -1.5628 0.0000 H 0 0 0
- -1.7055 -1.5997 0.0000 H 0 0 0
- 1.7055 -1.5997 0.0000 H 0 0 0
- 3.2334 -1.5628 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-696-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.0464 -0.2863 0.0029 C 0 0 0
- 1.0080 -1.3033 0.0012 C 0 0 0
- 0.4899 1.0416 0.0020 C 0 0 0
- -1.3961 -0.6051 -0.0005 C 0 0 0
- 2.3447 -0.9600 -0.0012 C 0 0 0
- 1.8463 1.2936 -0.0005 C 0 0 0
- -2.2689 0.3486 0.0011 N 0 0 0
- 2.7193 0.3046 -0.0020 N 0 0 0
- -3.6515 0.0430 -0.0021 O 0 0 0
- 0.7210 -2.2978 0.0000 H 0 0 0
- -0.1895 1.8224 0.0000 H 0 0 0
- -1.7080 -1.5921 0.0000 H 0 0 0
- 3.0631 -1.7052 0.0000 H 0 0 0
- 2.1836 2.2722 0.0000 H 0 0 0
- -4.6622 -0.1804 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1877-73-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.8131 -0.5357 -0.5842 C 0 0 0
- -0.2739 0.3139 -0.4935 C 0 0 0
- 2.1463 -0.0068 -1.0469 C 0 0 0
- 0.6785 -1.8688 -0.2451 C 0 0 0
- -1.4965 -0.1712 -0.0692 C 0 0 0
- 2.9379 0.4703 0.1433 C 0 0 0
- -0.5431 -2.3528 0.1848 C 0 0 0
- -1.6326 -1.5060 0.2646 C 0 0 0
- -2.6602 0.7384 0.0285 N 0 3 0
- 4.1653 0.9854 -0.0298 O 0 0 0
- 2.4678 0.3891 1.2534 O 0 0 0
- -3.7376 0.3109 0.4024 O 0 0 0
- -2.5402 1.9144 -0.2651 O 0 5 0
- -0.1318 1.3021 0.0000 H 0 0 0
- 2.0556 -1.0010 0.0000 H 0 0 0
- 2.9923 -0.5368 0.0000 H 0 0 0
- 1.4750 -2.4707 0.0000 H 0 0 0
- -0.6841 -3.3411 0.0000 H 0 0 0
- -2.5505 -1.8987 0.0000 H 0 0 0
- 5.0858 1.3717 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 9 12 2 0
- 9 13 1 0
- 7 8 2 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24961-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 1.4189 0.6469 -0.0694 C 0 0 0
- 0.4234 -0.3298 -0.5147 C 0 0 0
- 2.8173 0.2145 0.0682 C 0 0 0
- 1.0471 1.9513 0.2096 C 0 0 0
- -0.9077 0.0451 -0.6563 C 0 0 0
- 0.8472 -1.6981 -0.8075 C 0 0 0
- 3.1584 -1.1211 -0.2307 C 0 0 0
- 3.8059 1.1056 0.4887 C 0 0 0
- -0.2895 2.3356 0.0641 C 0 0 0
- -1.2898 1.3583 -0.3713 C 0 0 0
- -1.9330 -0.9595 -1.1151 C 0 0 0
- 2.1357 -2.0643 -0.6719 C 0 0 0
- 4.4925 -1.5316 -0.0989 C 0 0 0
- 5.1072 0.6725 0.6080 C 0 0 0
- -0.7035 3.6541 0.3390 C 0 0 0
- -2.6306 1.7737 -0.5032 C 0 0 0
- -2.7004 -1.8730 0.4476 Br 0 0 0
- 5.4421 -0.6431 0.3142 C 0 0 0
- -2.0109 3.9917 0.1864 C 0 0 0
- -2.9653 3.0589 -0.2167 C 0 0 0
- 1.7790 2.6815 0.0000 H 0 0 0
- 0.1248 -2.4377 0.0000 H 0 0 0
- 3.5943 2.1176 0.0000 H 0 0 0
- -2.2226 0.0330 0.0000 H 0 0 0
- -2.9447 -0.7466 0.0000 H 0 0 0
- 2.3755 -3.0700 0.0000 H 0 0 0
- 4.7250 -2.5390 0.0000 H 0 0 0
- 5.8641 1.3767 0.0000 H 0 0 0
- 0.0085 4.4037 0.0000 H 0 0 0
- -3.3781 1.0595 0.0000 H 0 0 0
- 6.4343 -0.9335 0.0000 H 0 0 0
- -2.2773 4.9906 0.0000 H 0 0 0
- -3.9614 3.3357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1675-54-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 52 1 V2000
- 0.0336 2.7487 -0.2640 C 0 0 0
- -0.1579 3.3152 -1.6723 C 0 0 0
- 0.1115 3.8988 0.7421 C 0 0 0
- -1.1313 1.8571 0.0815 C 0 0 0
- 1.3102 1.9495 -0.2132 C 0 0 0
- -1.4725 1.6494 1.4049 C 0 0 0
- -1.8605 1.2528 -0.9261 C 0 0 0
- 2.5197 2.5634 -0.4804 C 0 0 0
- 1.2704 0.6046 0.1061 C 0 0 0
- -2.5403 0.8327 1.7242 C 0 0 0
- -2.9289 0.4355 -0.6122 C 0 0 0
- 3.6916 1.8330 -0.4341 C 0 0 0
- 2.4391 -0.1300 0.1537 C 0 0 0
- -3.2701 0.2212 0.7156 C 0 0 0
- 3.6538 0.4827 -0.1192 C 0 0 0
- -4.3206 -0.5828 1.0271 O 0 0 0
- 4.8051 -0.2380 -0.0734 O 0 0 0
- -4.8596 -1.0557 -0.2090 C 0 0 0
- 4.4414 -1.5759 0.2726 C 0 0 0
- -6.0524 -1.9717 0.0720 C 0 0 0
- 5.6989 -2.4447 0.3414 C 0 0 0
- -6.6294 -2.4780 -1.2514 C 0 0 0
- -5.7770 -3.2803 -0.4318 O 0 0 0
- 5.3095 -3.8772 0.7119 C 0 0 0
- 5.6102 -3.4889 -0.6301 O 0 0 0
- 0.7975 3.6382 0.0000 H 0 0 0
- -0.4809 4.2706 0.0000 H 0 0 0
- -1.1133 2.9922 0.0000 H 0 0 0
- 1.1177 3.8306 0.0000 H 0 0 0
- 0.1797 4.9050 0.0000 H 0 0 0
- -0.8947 3.9670 0.0000 H 0 0 0
- -2.0419 2.4819 0.0000 H 0 0 0
- -1.2322 0.4638 0.0000 H 0 0 0
- 2.5639 3.5710 0.0000 H 0 0 0
- 0.3805 0.1299 0.0000 H 0 0 0
- -3.1707 1.6200 0.0000 H 0 0 0
- -2.3537 -0.3929 0.0000 H 0 0 0
- 4.5802 2.3101 0.0000 H 0 0 0
- 2.3917 -1.1374 0.0000 H 0 0 0
- -4.7058 -2.0525 0.0000 H 0 0 0
- -3.9118 -1.4004 0.0000 H 0 0 0
- 3.5042 -1.2032 0.0000 H 0 0 0
- 3.9654 -2.4651 0.0000 H 0 0 0
- -6.6925 -1.1923 0.0000 H 0 0 0
- 6.6111 -2.0144 0.0000 H 0 0 0
- -7.3184 -1.7415 0.0000 H 0 0 0
- -7.3437 -3.1901 0.0000 H 0 0 0
- 4.3091 -4.0050 0.0000 H 0 0 0
- 5.8101 -4.7527 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 2 0
- 9 5 1 0
- 10 6 1 0
- 11 7 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 2 0
- 15 12 2 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 17 1 0
- 20 18 1 0
- 21 19 1 0
- 22 20 1 0
- 23 20 1 0
- 24 21 1 0
- 25 21 1 0
- 11 14 1 0
- 13 15 1 0
- 22 23 1 0
- 24 25 1 0
- 2 26 1 0
- 2 27 1 0
- 2 28 1 0
- 3 29 1 0
- 3 30 1 0
- 3 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 9 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 13 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 24 48 1 0
- 24 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -2.0023 0.4148 -0.3914 C 0 0 0
- -1.5122 -0.8745 -0.5800 C 0 0 0
- -1.1293 1.4612 -0.1069 C 0 0 0
- -3.3700 0.6596 -0.4932 N 0 0 0
- -0.1609 -1.1170 -0.4853 C 0 0 0
- 0.2130 1.2299 -0.0111 C 0 0 0
- -4.2385 -0.0446 0.2593 C 0 0 0
- 0.7164 -0.0634 -0.1992 C 0 0 0
- -5.7221 0.1282 0.0583 C 0 0 0
- -3.8262 -0.8173 1.0982 O 0 0 0
- 2.1597 -0.3141 -0.0965 C 0 0 0
- 3.1016 0.8213 0.2115 C 0 0 0
- 2.5937 -1.4349 -0.2597 O 0 0 0
- 4.7930 0.1996 0.2709 Cl 0 0 0
- -2.1712 -1.6688 0.0000 H 0 0 0
- -1.4855 2.4298 0.0000 H 0 0 0
- -3.6274 1.6591 0.0000 H 0 0 0
- 0.1925 -2.0867 0.0000 H 0 0 0
- 0.8661 2.0291 0.0000 H 0 0 0
- -5.6027 1.1533 0.0000 H 0 0 0
- -6.7472 0.2476 0.0000 H 0 0 0
- -5.8415 -0.8969 0.0000 H 0 0 0
- 3.5650 1.7435 0.0000 H 0 0 0
- 2.2378 1.3861 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54779-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.2469 0.1326 0.0032 C 0 0 0
- -0.1566 -1.2217 0.0010 C 0 0 0
- 1.7237 0.1268 0.0015 C 0 0 0
- -0.6882 1.1508 0.0013 C 0 0 0
- -1.5001 -1.5449 0.0015 C 0 0 0
- 0.9805 -2.0118 -0.0019 N 0 0 0
- 2.1188 -1.2177 -0.0017 C 0 0 0
- 2.6814 1.1377 0.0027 C 0 0 0
- -2.0519 0.8349 -0.0029 C 0 0 0
- -0.2426 2.5904 0.0032 C 0 0 0
- -2.4588 -0.5276 0.0043 C 0 0 0
- -1.9302 -2.9892 -0.0013 C 0 0 0
- 3.4742 -1.5315 -0.0043 C 0 0 0
- 4.0265 0.8091 0.0009 C 0 0 0
- -3.0428 1.8320 -0.0055 C 0 0 0
- -3.8401 -0.8076 0.0044 C 0 0 0
- 4.4175 -0.5266 -0.0038 C 0 0 0
- 4.9938 1.8209 0.0021 N 0 0 0
- -4.3107 1.4946 -0.0099 N 0 0 0
- -4.7181 0.2316 0.0067 C 0 0 0
- 0.9815 -3.0562 0.0000 H 0 0 0
- 2.3864 2.1395 0.0000 H 0 0 0
- 0.7551 2.2816 0.0000 H 0 0 0
- 0.0662 3.5881 0.0000 H 0 0 0
- -1.2403 2.8992 0.0000 H 0 0 0
- -2.9311 -2.6911 0.0000 H 0 0 0
- -2.2283 -3.9901 0.0000 H 0 0 0
- -0.9293 -3.2873 0.0000 H 0 0 0
- 3.7776 -2.5308 0.0000 H 0 0 0
- -2.7701 2.8401 0.0000 H 0 0 0
- -4.1831 -1.7941 0.0000 H 0 0 0
- 5.4333 -0.7693 0.0000 H 0 0 0
- 6.0084 1.5733 0.0000 H 0 0 0
- 4.7009 2.8234 0.0000 H 0 0 0
- -5.7427 0.0295 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 16 20 2 0
- 6 7 1 0
- 9 11 1 0
- 14 17 1 0
- 19 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139-65-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.3264 0.8544 0.0071 C 0 0 0
- -0.0537 1.9494 0.0367 S 0 0 0
- 1.8168 0.3871 -1.2061 C 0 0 0
- 1.9280 0.4628 1.1963 C 0 0 0
- -1.3721 0.7804 0.0247 C 0 0 0
- 2.8980 -0.4707 -1.2290 C 0 0 0
- 3.0095 -0.3954 1.1729 C 0 0 0
- -2.6813 1.2116 -0.1471 C 0 0 0
- -1.1017 -0.5735 0.1814 C 0 0 0
- 3.4958 -0.8668 -0.0394 C 0 0 0
- -3.7142 0.2953 -0.1569 C 0 0 0
- -2.1346 -1.4891 0.1716 C 0 0 0
- 4.5919 -1.7371 -0.0628 N 0 0 0
- -3.4442 -1.0572 0.0050 C 0 0 0
- -4.4915 -1.9858 -0.0045 N 0 0 0
- 1.1374 -0.3939 0.0000 H 0 0 0
- 2.5328 1.3029 0.0000 H 0 0 0
- 2.2899 -1.3084 0.0000 H 0 0 0
- 3.6923 0.3826 0.0000 H 0 0 0
- -2.8907 2.2254 0.0000 H 0 0 0
- -0.1205 -0.9033 0.0000 H 0 0 0
- -4.6955 0.6249 0.0000 H 0 0 0
- -1.9255 -2.5029 0.0000 H 0 0 0
- 4.4398 -2.7610 0.0000 H 0 0 0
- 5.5547 -1.3569 0.0000 H 0 0 0
- -5.4735 -1.6584 0.0000 H 0 0 0
- -4.2840 -3.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 14 15 1 0
- 7 10 2 0
- 12 14 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2371-42-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.0469 -0.1671 -0.7941 C 0 0 2
- -1.0860 -0.5530 0.2208 C 0 0 0
- 1.2290 0.1117 0.1831 C 0 0 2
- -0.4265 1.2525 -1.2311 C 0 0 0
- 0.3246 -1.1721 -1.9139 C 0 0 0
- -0.9602 0.7332 1.1110 C 0 0 1
- -2.4544 -0.6498 -0.4568 C 0 0 0
- -0.7483 -1.8254 1.0005 C 0 0 0
- 0.5625 0.7075 1.4440 C 0 0 0
- 2.2029 1.1189 -0.4317 C 0 0 0
- 1.9063 -1.1047 0.5054 O 0 0 0
- -1.0930 1.8483 0.0298 C 0 0 0
- 0.5424 1.2248 0.0000 H 0 0 0
- -0.0679 2.1530 0.0000 H 0 0 0
- -0.6096 -1.4302 0.0000 H 0 0 0
- 0.5827 -2.1063 0.0000 H 0 0 0
- 1.2588 -0.9140 0.0000 H 0 0 0
- -1.9294 0.7230 0.0000 H 0 0 0
- -2.5228 0.3170 0.0000 H 0 0 0
- -3.4212 -0.7182 0.0000 H 0 0 0
- -2.3860 -1.6166 0.0000 H 0 0 0
- -1.6851 -2.0740 0.0000 H 0 0 0
- -0.4997 -2.7622 0.0000 H 0 0 0
- 0.1885 -1.5768 0.0000 H 0 0 0
- 1.3861 1.2185 0.0000 H 0 0 0
- 0.3047 1.6418 0.0000 H 0 0 0
- 2.8997 0.4451 0.0000 H 0 0 0
- 2.8767 1.8157 0.0000 H 0 0 0
- 1.5061 1.7926 0.0000 H 0 0 0
- 2.3778 -1.9515 0.0000 H 0 0 0
- -0.6742 2.7224 0.0000 H 0 0 0
- -2.0492 2.0067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 6 9 1 0
- 6 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-603-34-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.0007 -0.0001 -0.0043 N 0 0 0
- -1.2048 0.7077 0.0031 C 0 0 0
- 1.2165 0.6900 -0.0072 C 0 0 0
- -0.0095 -1.3981 -0.0031 C 0 0 0
- -1.7843 1.1083 -1.1942 C 0 0 0
- -1.8291 1.0072 1.2078 C 0 0 0
- 1.8467 0.9850 -1.2094 C 0 0 0
- 1.7944 1.0875 1.1923 C 0 0 0
- 1.1813 -2.1028 0.1189 C 0 0 0
- -1.2114 -2.0858 -0.1180 C 0 0 0
- -2.9753 1.8075 -1.1832 C 0 0 0
- -3.0196 1.7065 1.2115 C 0 0 0
- 3.0476 1.6674 -1.2086 C 0 0 0
- 2.9950 1.7694 1.1858 C 0 0 0
- 1.1676 -3.4839 0.1202 C 0 0 0
- -1.2179 -3.4665 -0.1160 C 0 0 0
- -3.5909 2.1088 0.0177 C 0 0 0
- 3.6225 2.0569 -0.0129 C 0 0 0
- -0.0298 -4.1651 0.0004 C 0 0 0
- -1.2274 1.9813 0.0000 H 0 0 0
- -2.3157 0.0931 0.0000 H 0 0 0
- 2.3224 0.0652 0.0000 H 0 0 0
- 1.2448 1.9651 0.0000 H 0 0 0
- 2.0834 -1.5943 0.0000 H 0 0 0
- -2.1060 -1.5642 0.0000 H 0 0 0
- -2.4852 2.7197 0.0000 H 0 0 0
- -3.5804 0.8360 0.0000 H 0 0 0
- 3.5942 0.7879 0.0000 H 0 0 0
- 2.5232 2.6912 0.0000 H 0 0 0
- 2.0601 -4.0089 0.0000 H 0 0 0
- -2.1179 -3.9786 0.0000 H 0 0 0
- -4.4821 2.6362 0.0000 H 0 0 0
- 4.5250 2.5647 0.0000 H 0 0 0
- -0.0372 -5.2006 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88741-67-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.8694 0.7115 0.0024 C 0 0 0
- -1.0643 -0.6879 0.0015 C 0 0 0
- 0.4220 1.2763 0.0027 C 0 0 0
- -1.9943 1.5711 -0.0031 C 0 0 0
- 0.0985 -1.5857 0.0010 C 0 0 0
- -2.3628 -1.1986 0.0007 C 0 0 0
- 1.6088 0.3980 0.0013 C 0 0 0
- 0.5627 2.5935 0.0033 N 0 0 0
- -3.2908 1.0254 -0.0086 C 0 0 0
- -1.7678 2.9576 -0.0023 C 0 0 0
- 1.4508 -1.0016 0.0011 C 0 0 0
- -0.0532 -2.7942 0.0009 O 0 0 0
- -3.4647 -0.3278 0.0007 C 0 0 0
- -2.5612 -2.5383 -0.0005 O 0 0 0
- 2.8885 0.9457 0.0009 C 0 0 0
- -0.4692 3.4172 0.0035 C 0 0 0
- 2.5774 -1.8278 0.0003 C 0 0 0
- -4.7233 -0.8409 -0.0002 O 0 0 0
- 3.9955 0.1118 -0.0009 C 0 0 0
- 3.8363 -1.2712 0.0004 C 0 0 0
- -5.6222 0.2700 0.0000 C 0 0 0
- 5.2430 0.6471 -0.0019 O 0 0 0
- 6.1620 -0.4472 -0.0037 C 0 0 0
- -4.1244 1.6592 0.0000 H 0 0 0
- -2.5712 3.6292 0.0000 H 0 0 0
- -2.7146 -3.5742 0.0000 H 0 0 0
- 3.0145 1.9852 0.0000 H 0 0 0
- -0.2954 4.4498 0.0000 H 0 0 0
- 2.4643 -2.8688 0.0000 H 0 0 0
- 4.6796 -1.8920 0.0000 H 0 0 0
- -4.8082 0.9287 0.0000 H 0 0 0
- -6.2809 1.0840 0.0000 H 0 0 0
- -6.4362 -0.3887 0.0000 H 0 0 0
- 5.3601 -1.1206 0.0000 H 0 0 0
- 6.8354 -1.2491 0.0000 H 0 0 0
- 6.9639 0.2262 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 2 0
- 17 20 2 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 7 11 2 0
- 9 13 2 0
- 10 16 2 0
- 19 20 1 0
- 9 24 1 0
- 10 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 20 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
- 23 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10474-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.4851 -0.6725 0.1040 C 0 0 0
- -1.7041 -1.2587 0.8190 C 0 0 0
- 0.7836 -1.0341 0.8791 C 0 0 0
- -0.3990 -1.2469 -1.3115 C 0 0 0
- -0.6593 1.2834 0.0080 Br 0 0 0
- -3.1990 -0.8326 -0.0944 Cl 0 0 0
- 2.3499 -0.2808 -0.0398 Br 0 0 0
- -2.2825 -2.1827 0.0000 H 0 0 0
- -0.9772 -2.0711 0.0000 H 0 0 0
- 0.2052 -1.9582 0.0000 H 0 0 0
- 1.5105 -1.8465 0.0000 H 0 0 0
- -1.4771 -1.4085 0.0000 H 0 0 0
- -0.2374 -2.3250 0.0000 H 0 0 0
- 0.6791 -1.0853 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14691-88-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -2.3096 -0.0024 0.1920 O 0 0 0
- -0.9887 -0.0009 -0.4369 N 0 0 0
- -0.3326 1.2371 -0.0921 C 0 0 0
- -0.3300 -1.2376 -0.0923 C 0 0 0
- -0.9515 2.3628 -0.9536 C 0 0 0
- -0.5754 1.6137 1.3750 C 0 0 0
- 1.1701 1.2339 -0.3661 C 0 0 0
- -0.5678 -1.6125 1.3761 C 0 0 0
- -0.9488 -2.3655 -0.9507 C 0 0 0
- 1.1721 -1.2312 -0.3701 C 0 0 0
- 1.8028 0.0009 0.2863 C 0 0 0
- 3.2502 0.0024 0.0353 N 0 0 0
- -3.3483 -0.0036 0.0000 H 0 0 0
- -0.0413 2.8632 0.0000 H 0 0 0
- -1.4519 3.2730 0.0000 H 0 0 0
- -1.8617 1.8624 0.0000 H 0 0 0
- 0.2976 2.1766 0.0000 H 0 0 0
- -1.1383 2.4867 0.0000 H 0 0 0
- -1.4484 1.0508 0.0000 H 0 0 0
- 2.1576 1.5561 0.0000 H 0 0 0
- 1.0081 2.2599 0.0000 H 0 0 0
- -1.4450 -1.0561 0.0000 H 0 0 0
- -1.1242 -2.4897 0.0000 H 0 0 0
- 0.3094 -2.1689 0.0000 H 0 0 0
- -1.8595 -1.8659 0.0000 H 0 0 0
- -1.4484 -3.2762 0.0000 H 0 0 0
- -0.0381 -2.8651 0.0000 H 0 0 0
- 1.0119 -2.2575 0.0000 H 0 0 0
- 2.1601 -1.5520 0.0000 H 0 0 0
- 0.7641 0.0004 0.0000 H 0 0 0
- 3.7705 -0.8966 0.0000 H 0 0 0
- 3.7686 0.9025 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 7 1 0
- 12 11 1 0
- 10 11 1 0
- 1 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 0.6319 -0.1359 -0.0033 C 0 0 0
- -0.5049 -0.9203 -0.0032 C 0 0 0
- 0.5205 1.2468 -0.0012 C 0 0 0
- 1.9933 -0.7821 0.0007 C 0 0 0
- -1.7580 -0.3254 -0.0010 C 0 0 0
- -0.7323 1.8415 0.0009 C 0 0 0
- 1.6397 2.0191 -0.0009 O 0 0 0
- 1.8354 -2.3040 -0.0007 C 0 0 0
- 2.7673 -0.3485 -1.2458 C 0 0 0
- 2.7593 -0.3500 1.2526 C 0 0 0
- -1.8694 1.0569 0.0011 C 0 0 0
- -2.8773 -1.0977 -0.0005 O 0 0 0
- -3.9942 -0.2064 0.0018 C 0 0 0
- -0.4214 -1.9570 0.0000 H 0 0 0
- -0.8158 2.8782 0.0000 H 0 0 0
- 2.4958 2.6098 0.0000 H 0 0 0
- 0.8009 -2.1967 0.0000 H 0 0 0
- 1.7281 -3.3385 0.0000 H 0 0 0
- 2.8699 -2.4113 0.0000 H 0 0 0
- 3.2756 -1.2559 0.0000 H 0 0 0
- 3.6747 0.1598 0.0000 H 0 0 0
- 2.2590 0.5589 0.0000 H 0 0 0
- 3.2703 -1.2559 0.0000 H 0 0 0
- 3.6652 0.1610 0.0000 H 0 0 0
- 2.2483 0.5559 0.0000 H 0 0 0
- -2.8090 1.5029 0.0000 H 0 0 0
- -3.3454 0.6066 0.0000 H 0 0 0
- -4.8072 0.4424 0.0000 H 0 0 0
- -4.6430 -1.0194 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 12 13 1 0
- 6 11 1 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24463-19-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.2040 0.0905 -0.2665 C 0 0 0
- 0.0002 -0.5842 -0.4597 C 0 0 0
- 1.2034 1.5000 0.1391 C 0 0 0
- 2.4425 -0.5620 -0.4490 C 0 0 0
- -1.2047 0.0891 -0.2650 C 0 0 0
- 0.0009 -2.0326 -0.8759 C 0 0 0
- -0.0009 2.1735 0.3328 C 0 0 0
- 2.4412 2.1525 0.3264 C 0 0 0
- 3.5967 0.1247 -0.2520 C 0 0 0
- -1.2052 1.4986 0.1406 C 0 0 0
- -2.4422 -0.5629 -0.4521 C 0 0 0
- 0.0021 -3.0797 0.5919 Cl 0 0 0
- 3.5961 1.4672 0.1288 C 0 0 0
- -2.4430 2.1498 0.3284 C 0 0 0
- -3.5973 0.1228 -0.2544 C 0 0 0
- -3.5978 1.4633 0.1313 C 0 0 0
- 2.4693 -1.5967 0.0000 H 0 0 0
- -0.8959 -1.5157 0.0000 H 0 0 0
- -0.8950 -2.5510 0.0000 H 0 0 0
- -0.0014 3.2086 0.0000 H 0 0 0
- 2.4673 3.1873 0.0000 H 0 0 0
- 4.4966 -0.3868 0.0000 H 0 0 0
- -2.4685 -1.5977 0.0000 H 0 0 0
- 4.4955 1.9796 0.0000 H 0 0 0
- -2.4699 3.1845 0.0000 H 0 0 0
- -4.4967 -0.3895 0.0000 H 0 0 0
- -4.4976 1.9750 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 2 0
- 11 15 1 0
- 14 16 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 2 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105735-71-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6320 0.1146 -0.0060 C 0 0 0
- -0.5821 -0.6997 0.0220 C 0 0 0
- 0.3468 1.3750 -0.0551 C 0 0 0
- 1.9693 -0.4653 0.0254 C 0 0 0
- -1.6702 0.2893 -0.0189 C 0 0 0
- -0.4289 -1.9994 0.0727 C 0 0 0
- -1.1194 1.4968 -0.0641 C 0 0 0
- 1.4937 2.3025 -0.0873 C 0 0 0
- 2.9895 0.3582 -0.0032 C 0 0 0
- 2.0391 -1.9351 0.0873 C 0 0 0
- -3.1343 0.1474 -0.0172 C 0 0 0
- 0.9073 -2.6162 0.1000 C 0 0 0
- -1.9924 2.6846 -0.1126 C 0 0 0
- 2.7201 1.8118 -0.0652 C 0 0 0
- 4.2604 -0.1110 0.0238 N 0 3 0
- -3.9059 1.2116 -0.0606 C 0 0 0
- -3.6913 -1.0869 0.0298 N 0 3 0
- -3.2997 2.5531 -0.1109 C 0 0 0
- 5.0684 0.3638 0.8017 O 0 0 0
- 4.5947 -1.0076 -0.7298 O 0 5 0
- -3.2976 -1.9617 -0.7207 O 0 0 0
- -4.5857 -1.3217 0.8225 O 0 5 0
- -1.2508 -2.5960 0.0000 H 0 0 0
- 1.3422 3.3068 0.0000 H 0 0 0
- 2.9348 -2.4138 0.0000 H 0 0 0
- 0.9628 -3.6303 0.0000 H 0 0 0
- -1.5798 3.6126 0.0000 H 0 0 0
- 3.5055 2.4557 0.0000 H 0 0 0
- -4.9163 1.1087 0.0000 H 0 0 0
- -3.8925 3.3777 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 15 20 1 0
- 17 21 2 0
- 17 22 1 0
- 5 7 2 0
- 9 14 1 0
- 10 12 2 0
- 16 18 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52819-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.3140 -0.4646 0.2900 C 0 0 0
- -1.6715 -0.2131 0.3138 C 0 0 0
- 0.5774 0.6017 0.0128 C 0 0 0
- 0.1543 -1.7085 0.5586 O 0 0 0
- -2.1681 1.0660 0.0917 C 0 0 0
- -2.8584 -1.1208 0.5662 C 0 0 0
- 1.9486 0.3020 -0.0849 C 0 0 0
- 0.0790 1.9022 -0.1723 C 0 0 0
- 1.3626 -2.1049 0.0741 C 0 0 0
- -1.2819 2.1231 -0.1385 C 0 0 0
- -3.5272 1.0774 0.1253 O 0 0 0
- -4.0042 -0.0898 0.8118 C 0 0 0
- -3.2855 -1.7393 -0.7517 C 0 0 0
- 2.3721 -1.0331 -0.0456 C 0 0 0
- 3.1345 1.2009 -0.2303 C 0 0 2
- 0.9319 2.9351 -0.3836 O 0 0 0
- 1.5944 -3.2578 -0.2380 O 0 0 0
- -5.0746 -0.6627 0.0365 O 0 0 0
- -4.5434 -1.4143 -0.9534 C 0 0 0
- 3.8111 -1.1279 -0.1452 C 0 0 0
- 4.3654 0.2763 -0.2680 C 0 0 0
- 3.2210 2.0630 0.9061 O 0 0 0
- 0.1304 4.1087 -0.5326 C 0 0 0
- 4.4610 -2.1529 -0.1326 O 0 0 0
- -2.1095 -1.8342 0.0000 H 0 0 0
- -1.6425 3.0925 0.0000 H 0 0 0
- -4.7724 0.6028 0.0000 H 0 0 0
- -2.9242 -2.7085 0.0000 H 0 0 0
- 2.2324 1.7068 0.0000 H 0 0 0
- -5.1310 -2.2655 0.0000 H 0 0 0
- 5.2897 -0.1879 0.0000 H 0 0 0
- 4.9103 1.1555 0.0000 H 0 0 0
- 3.3243 3.0921 0.0000 H 0 0 0
- 0.9845 4.6920 0.0000 H 0 0 0
- -0.4529 4.9628 0.0000 H 0 0 0
- -0.7237 3.5254 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 15 22 1 0
- 16 23 1 0
- 20 24 2 0
- 8 10 1 0
- 9 14 1 0
- 11 12 1 0
- 18 19 1 0
- 20 21 1 0
- 6 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 19 30 1 0
- 21 31 1 0
- 21 32 1 0
- 22 33 1 0
- 23 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1874-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.6384 0.0504 -0.0040 C 0 0 0
- -1.7942 -0.6462 -0.0035 O 0 0 0
- -0.9558 1.3935 -0.0012 C 0 0 0
- 0.6661 -0.4983 -0.0016 C 0 0 0
- -2.8285 0.2059 -0.0005 C 0 0 0
- -2.3563 1.4726 0.0010 C 0 0 0
- 1.7477 0.3222 -0.0024 C 0 0 0
- -4.2582 -0.1782 0.0013 N 0 3 0
- 3.0500 -0.2257 0.0000 C 0 0 0
- -5.1200 0.6825 0.0041 O 0 0 0
- -4.5727 -1.3549 0.0002 O 0 5 0
- 4.1255 0.5902 -0.0008 O 0 0 0
- 3.2022 -1.4332 0.0028 O 0 0 0
- 5.2814 -0.2500 0.0021 C 0 0 0
- 6.5421 0.6170 0.0013 C 0 0 0
- -0.3017 2.1738 0.0000 H 0 0 0
- 0.7935 -1.5085 0.0000 H 0 0 0
- -2.9133 2.3250 0.0000 H 0 0 0
- 1.6204 1.3324 0.0000 H 0 0 0
- 4.5935 -1.0007 0.0000 H 0 0 0
- 5.9495 -1.0184 0.0000 H 0 0 0
- 7.1191 -0.2220 0.0000 H 0 0 0
- 7.3811 1.1940 0.0000 H 0 0 0
- 5.9651 1.4560 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 5 6 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 14 20 1 0
- 14 21 1 0
- 15 22 1 0
- 15 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111119-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.1670 -0.0005 -0.6445 N 0 0 0
- -1.1245 -0.9785 -0.5749 C 0 0 0
- -0.7243 1.1379 -0.1767 C 0 0 0
- 1.2060 -0.1610 -1.1296 C 0 0 0
- -2.2316 -0.4047 -0.0679 C 0 0 0
- -1.9596 0.8884 0.1664 N 0 0 0
- 0.0695 2.6768 -0.0528 Cl 0 0 0
- 2.1224 -0.5187 0.0423 C 0 0 0
- -3.5234 -1.0814 0.1858 N 0 3 0
- 3.5193 -0.8512 -0.4858 C 0 0 0
- 2.2038 0.5909 0.9391 O 0 0 0
- -4.4587 -0.4542 0.6499 O 0 0 0
- -3.6511 -2.2655 -0.0695 O 0 5 0
- 4.3752 -1.1853 0.6087 O 0 0 0
- 5.6577 -1.4841 0.0539 C 0 0 0
- -0.9741 -1.9171 0.0000 H 0 0 0
- 1.8948 0.4941 0.0000 H 0 0 0
- 0.9052 0.7408 0.0000 H 0 0 0
- 1.8388 -1.4260 0.0000 H 0 0 0
- 4.2332 -0.2235 0.0000 H 0 0 0
- 3.2899 0.0713 0.0000 H 0 0 0
- 2.2734 1.5390 0.0000 H 0 0 0
- 5.4420 -2.4099 0.0000 H 0 0 0
- 6.5835 -1.6998 0.0000 H 0 0 0
- 5.8734 -0.5583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 8 11 1 0
- 9 12 2 0
- 9 13 1 0
- 10 14 1 0
- 14 15 1 0
- 5 6 1 0
- 2 16 1 0
- 4 17 1 0
- 4 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59363-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.1848 0.2273 0.6404 C 0 0 0
- -1.6391 0.3679 1.0096 C 0 0 0
- 0.5467 1.3426 0.2776 C 0 0 0
- 0.4187 -1.0163 0.6702 C 0 0 0
- -2.5012 0.2095 -0.2444 C 0 0 0
- 1.8809 1.2144 -0.0608 C 0 0 0
- 1.7524 -1.1457 0.3321 C 0 0 0
- -3.9777 0.3522 0.1305 C 0 0 0
- 2.4838 -0.0304 -0.0363 C 0 0 0
- -4.8399 0.1938 -1.1235 C 0 0 0
- -4.6664 -0.8618 -0.1761 O 0 0 0
- 4.1593 -0.1922 -0.4611 Cl 0 0 0
- -1.1333 1.2366 0.0000 H 0 0 0
- -2.2171 1.1904 0.0000 H 0 0 0
- 0.1119 2.2490 0.0000 H 0 0 0
- -0.1554 -1.8415 0.0000 H 0 0 0
- -3.0070 -0.6592 0.0000 H 0 0 0
- -1.9232 -0.6129 0.0000 H 0 0 0
- 2.4549 2.0396 0.0000 H 0 0 0
- 2.1868 -2.0523 0.0000 H 0 0 0
- -4.0206 1.3565 0.0000 H 0 0 0
- -5.0153 1.1836 0.0000 H 0 0 0
- -5.8308 0.0246 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 1 0
- 9 12 1 0
- 7 9 1 0
- 10 11 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2050-92-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 33 1 V2000
- 0.0000 -0.5230 0.0000 N 0 0 0
- -1.1786 0.3539 0.0000 C 0 0 0
- 1.1786 0.3539 0.0000 C 0 0 0
- -2.4488 -0.4990 0.0000 C 0 0 0
- 2.4488 -0.4990 0.0000 C 0 0 0
- -3.6763 0.4143 0.0000 C 0 0 0
- 3.6763 0.4143 0.0000 C 0 0 0
- -4.9465 -0.4387 0.0000 C 0 0 0
- 4.9465 -0.4387 0.0000 C 0 0 0
- -6.1740 0.4746 0.0000 C 0 0 0
- 6.1740 0.4746 0.0000 C 0 0 0
- 0.0000 -1.6705 0.0000 H 0 0 0
- -0.3940 1.1912 0.0000 H 0 0 0
- -1.9219 1.2281 0.0000 H 0 0 0
- 1.9219 1.2281 0.0000 H 0 0 0
- 0.3940 1.1912 0.0000 H 0 0 0
- -3.2334 -1.3363 0.0000 H 0 0 0
- -1.7055 -1.3733 0.0000 H 0 0 0
- 1.7055 -1.3733 0.0000 H 0 0 0
- 3.2334 -1.3363 0.0000 H 0 0 0
- -2.8917 1.2516 0.0000 H 0 0 0
- -4.4196 1.2885 0.0000 H 0 0 0
- 4.4196 1.2885 0.0000 H 0 0 0
- 2.8917 1.2516 0.0000 H 0 0 0
- -5.7311 -1.2760 0.0000 H 0 0 0
- -4.2032 -1.3129 0.0000 H 0 0 0
- 4.2032 -1.3129 0.0000 H 0 0 0
- 5.7311 -1.2760 0.0000 H 0 0 0
- -5.4890 1.3952 0.0000 H 0 0 0
- -7.0946 1.1596 0.0000 H 0 0 0
- -6.8590 -0.4460 0.0000 H 0 0 0
- 6.8590 -0.4460 0.0000 H 0 0 0
- 7.0946 1.1596 0.0000 H 0 0 0
- 5.4890 1.3952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2892-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.7720 0.7446 0.0014 C 0 0 0
- -0.7724 -0.7442 0.0005 C 0 0 0
- 0.7023 0.6993 0.0007 C 0 0 0
- -1.6184 1.6177 -0.0015 O 0 0 0
- 0.7019 -0.6996 -0.0002 C 0 0 0
- -1.6193 -1.6169 0.0003 O 0 0 0
- 1.6719 1.6393 0.0003 O 0 0 0
- 1.6711 -1.6402 -0.0009 O 0 0 0
- 2.4122 2.3570 0.0000 H 0 0 0
- 2.4110 -2.3583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
- 3 5 2 0
- 7 9 1 0
- 8 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-349-95-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.5797 -0.0410 0.0609 C 0 0 0
- 0.0446 -1.2705 -0.0346 C 0 0 0
- 0.1717 1.1019 0.2625 C 0 0 0
- -2.0787 0.0544 -0.0610 C 0 0 0
- 1.4203 -1.3573 0.0715 C 0 0 0
- 1.5470 1.0151 0.3685 C 0 0 0
- -2.4729 1.3905 0.0681 F 0 0 0
- -2.4767 -0.4305 -1.3114 F 0 0 0
- -2.6780 -0.7081 0.9473 F 0 0 0
- 2.1714 -0.2148 0.2730 C 0 0 0
- 3.6710 -0.3094 0.3881 C 0 0 0
- 4.2781 0.4677 -0.6461 O 0 0 0
- -0.5236 -2.1340 0.0000 H 0 0 0
- -0.2901 2.0267 0.0000 H 0 0 0
- 1.8821 -2.2821 0.0000 H 0 0 0
- 2.1152 1.8786 0.0000 H 0 0 0
- 3.4022 -1.3075 0.0000 H 0 0 0
- 4.5958 -0.7712 0.0000 H 0 0 0
- 4.9145 1.2823 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 10 11 1 0
- 11 12 1 0
- 6 10 1 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1248-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.9522 -3.0449 0.0942 C 0 0 0
- -0.1411 -2.1768 -0.0400 C 0 0 0
- 2.1518 -2.5720 0.6846 C 0 0 0
- 0.8775 -4.3803 -0.3420 C 0 0 0
- -0.0314 -0.8683 0.4073 C 0 0 0
- -1.6414 -2.7435 -0.7699 S 0 0 0
- 2.2321 -1.2387 1.1287 C 0 0 0
- 3.2433 -3.4460 0.8168 C 0 0 0
- 1.9562 -5.1974 -0.1970 C 0 0 0
- -1.0917 -0.0171 0.2801 N 0 0 0
- 1.1658 -0.4115 0.9912 C 0 0 0
- -2.3332 -3.4377 0.2590 O 0 0 0
- -2.1531 -1.6410 -1.5061 O 0 0 0
- -1.2741 -3.7972 -1.8050 O 0 0 0
- 3.1365 -4.7307 0.3785 C 0 0 0
- -0.9945 1.2006 0.6945 N 0 0 0
- -2.0494 2.0475 0.5679 C 0 0 0
- -1.8726 3.3813 -0.0056 C 0 0 0
- -3.3287 1.6614 0.9776 C 0 0 0
- -2.9987 4.2323 -0.1193 C 0 0 0
- -0.6203 3.8286 -0.4413 C 0 0 0
- -4.4057 2.5362 0.8443 C 0 0 0
- -3.5235 0.4278 1.5076 O 0 0 0
- -4.2565 3.7811 0.3191 C 0 0 0
- -2.8359 5.5150 -0.6694 C 0 0 0
- -0.4979 5.0793 -0.9708 C 0 0 0
- -1.6028 5.9191 -1.0833 C 0 0 0
- 14.6840 3.8044 -0.1907 Na 0 3 0
- -0.0297 -4.8000 0.0000 H 0 0 0
- 3.1426 -0.8262 0.0000 H 0 0 0
- 4.1615 -3.0509 0.0000 H 0 0 0
- 1.8208 -6.1878 0.0000 H 0 0 0
- 1.3128 0.5772 0.0000 H 0 0 0
- 3.9391 -5.3265 0.0000 H 0 0 0
- 0.1677 3.2137 0.0000 H 0 0 0
- -5.3322 2.1611 0.0000 H 0 0 0
- -3.6794 -0.5595 0.0000 H 0 0 0
- -5.0382 4.4040 0.0000 H 0 0 0
- -3.6067 6.1514 0.0000 H 0 0 0
- 0.4182 5.4793 0.0000 H 0 0 0
- -1.4370 6.9048 0.0000 H 0 0 0
- -0.9451 -4.7411 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 2 0
- 6 14 1 0
- 8 15 2 0
- 10 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 18 21 1 0
- 19 22 2 0
- 19 23 1 0
- 20 24 2 0
- 20 25 1 0
- 21 26 2 0
- 25 27 2 0
- 7 11 2 0
- 9 15 1 0
- 22 24 1 0
- 26 27 1 0
- 4 29 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 11 33 1 0
- 15 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
- 25 39 1 0
- 26 40 1 0
- 27 41 1 0
- 14 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-627-03-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.1182 -0.7454 0.0000 C 0 0 0
- -1.4178 0.0176 -0.0001 C 0 0 0
- 0.9746 0.1753 0.0001 O 0 0 0
- -2.5851 -0.6451 -0.0001 O 0 0 0
- -1.4090 1.2258 -0.0001 O 0 0 0
- 2.1719 -0.6048 0.0001 C 0 0 0
- 3.3867 0.3254 0.0002 C 0 0 0
- -0.7618 -1.6024 0.0000 H 0 0 0
- 0.6605 -1.4817 0.0000 H 0 0 0
- -3.5171 -1.1742 0.0000 H 0 0 0
- 1.4891 -1.4309 0.0000 H 0 0 0
- 2.9155 -1.3766 0.0000 H 0 0 0
- 4.0383 -0.5255 0.0000 H 0 0 0
- 4.2376 0.9770 0.0000 H 0 0 0
- 2.7351 1.1763 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 6 7 1 0
- 1 8 1 0
- 1 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-64-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.3170 0.5794 -0.0028 C 0 0 0
- -0.5821 -0.8012 -0.0009 C 0 0 0
- 0.9595 1.0189 -0.0021 O 0 0 0
- -1.3779 1.4763 0.0003 C 0 0 0
- 0.5431 -1.7411 0.0014 C 0 0 0
- -1.9036 -1.2583 -0.0008 C 0 0 0
- 1.9946 0.1648 0.0005 C 0 0 0
- -2.6740 1.0053 0.0053 C 0 0 0
- 1.8018 -1.2337 0.0015 C 0 0 0
- -2.9318 -0.3581 -0.0025 C 0 0 0
- 3.1290 0.6074 0.0006 O 0 0 0
- -1.1956 2.4976 0.0000 H 0 0 0
- 0.3815 -2.7659 0.0000 H 0 0 0
- -2.1026 -2.2765 0.0000 H 0 0 0
- -3.4644 1.6773 0.0000 H 0 0 0
- 2.6199 -1.8717 0.0000 H 0 0 0
- -3.9125 -0.6966 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 2 0
- 7 9 1 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18868-66-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.3524 0.2090 -0.0494 C 0 0 0
- -0.6143 -0.7781 -0.1432 C 0 0 0
- 1.7830 -0.1287 -0.0759 C 0 0 0
- -0.0334 1.6161 0.0726 C 0 0 0
- -1.9673 -0.4261 -0.1152 C 0 0 0
- -0.2102 -2.2239 -0.2754 C 0 0 0
- 2.7374 0.9054 0.0221 C 0 0 0
- 2.2062 -1.4535 -0.1958 C 0 0 0
- -1.3768 1.9726 0.0948 C 0 0 0
- 1.0090 2.6366 0.1699 C 0 0 0
- -2.3565 0.9800 0.0130 C 0 0 0
- -2.9778 -1.4038 -0.2089 C 0 0 0
- -0.3444 -2.9170 1.0820 C 0 0 0
- 2.3112 2.2954 0.1491 C 0 0 0
- 4.1014 0.5818 -0.0034 C 0 0 0
- 3.5526 -1.7393 -0.2174 C 0 0 0
- -3.7282 1.3045 0.0380 C 0 0 0
- -4.2824 -1.0245 -0.1786 C 0 0 0
- 4.4915 -0.7203 -0.1218 C 0 0 0
- -4.6530 0.3137 -0.0566 C 0 0 0
- 0.6759 -2.7797 0.0000 H 0 0 0
- 0.6278 -1.5979 0.0000 H 0 0 0
- 1.5045 -2.2292 0.0000 H 0 0 0
- -1.6520 2.9817 0.0000 H 0 0 0
- 0.7408 3.6476 0.0000 H 0 0 0
- -2.7261 -2.4191 0.0000 H 0 0 0
- -1.3713 -2.7182 0.0000 H 0 0 0
- -0.5432 -3.9439 0.0000 H 0 0 0
- 0.6825 -3.1158 0.0000 H 0 0 0
- 3.0354 3.0501 0.0000 H 0 0 0
- 4.8192 1.3426 0.0000 H 0 0 0
- 3.8703 -2.7359 0.0000 H 0 0 0
- -4.0311 2.3057 0.0000 H 0 0 0
- -5.0267 -1.7594 0.0000 H 0 0 0
- 5.5107 -0.9554 0.0000 H 0 0 0
- -5.6689 0.5627 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 12 18 2 0
- 15 19 2 0
- 17 20 2 0
- 9 11 1 0
- 10 14 2 0
- 16 19 1 0
- 18 20 1 0
- 6 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-65954-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.2328 -0.3588 -0.0116 C 0 0 0
- -1.4454 0.1230 -0.0150 C 0 0 0
- 0.9279 0.5505 -0.0523 C 0 0 0
- -0.0042 -1.8141 0.0389 C 0 0 0
- -1.6652 1.5809 -0.0595 C 0 0 0
- -2.6107 -0.7786 0.0260 C 0 0 0
- 2.2709 -0.0556 -0.0456 C 0 0 0
- 0.7376 1.8477 -0.0930 C 0 0 0
- -1.1637 -2.7208 0.0846 C 0 0 0
- 1.2279 -2.2661 0.0415 C 0 0 0
- -0.6363 2.3937 -0.0959 C 0 0 0
- -3.0579 2.0618 -0.0604 C 0 0 0
- -2.3901 -2.2339 0.0698 C 0 0 0
- -3.8170 -0.2617 0.0220 C 0 0 0
- 2.3870 -1.3657 -0.0043 C 0 0 0
- 3.4994 0.8163 -0.0862 C 0 0 0
- -4.0418 1.1888 -0.0221 C 0 0 0
- 3.9736 1.0960 1.3413 C 0 0 0
- 4.5345 0.1474 -0.8094 O 0 0 0
- 1.6011 2.5305 0.0000 H 0 0 0
- -1.0070 -3.8104 0.0000 H 0 0 0
- 1.3972 -3.3538 0.0000 H 0 0 0
- -0.7955 3.4830 0.0000 H 0 0 0
- -3.2730 3.1414 0.0000 H 0 0 0
- -3.2518 -2.9189 0.0000 H 0 0 0
- -4.6867 -0.9365 0.0000 H 0 0 0
- 3.3962 -1.8055 0.0000 H 0 0 0
- 2.9007 1.7401 0.0000 H 0 0 0
- -5.0775 1.5618 0.0000 H 0 0 0
- 4.5329 0.1478 0.0000 H 0 0 0
- 4.9218 1.6553 0.0000 H 0 0 0
- 3.4143 2.0442 0.0000 H 0 0 0
- 5.4591 -0.4501 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 1 0
- 16 19 1 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0000 -0.0492 -0.0015 C 0 0 0
- -1.3051 0.7042 0.0005 C 0 0 0
- 1.3051 0.7042 0.0005 C 0 0 0
- 0.0000 -1.3592 0.0006 C 0 0 0
- -0.7400 1.6830 0.0000 H 0 0 0
- -2.2839 1.2693 0.0000 H 0 0 0
- -1.8701 -0.2746 0.0000 H 0 0 0
- 1.8701 -0.2746 0.0000 H 0 0 0
- 2.2839 1.2693 0.0000 H 0 0 0
- 0.7400 1.6830 0.0000 H 0 0 0
- -0.9788 -1.9243 0.0000 H 0 0 0
- 0.9788 -1.9243 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-573-56-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.2006 -0.3916 0.0245 C 0 0 0
- -0.0002 0.3032 -0.0003 C 0 0 0
- 2.4832 0.3467 0.0543 N 0 3 0
- 1.1979 -1.7728 0.0271 C 0 0 0
- -1.2004 -0.3915 -0.0282 C 0 0 0
- -0.0003 1.6622 0.0024 O 0 0 0
- 3.4148 -0.0229 -0.6378 O 0 0 0
- 2.6069 1.3238 0.7708 O 0 5 0
- -0.0001 -2.4632 0.0050 C 0 0 0
- -2.4831 0.3466 -0.0551 N 0 3 0
- -1.1975 -1.7732 -0.0312 C 0 0 0
- -3.4129 -0.0225 0.6398 O 0 0 0
- -2.6089 1.3231 -0.7721 O 0 5 0
- 2.0946 -2.2922 0.0000 H 0 0 0
- -0.0004 2.6985 0.0000 H 0 0 0
- -0.0001 -3.4995 0.0000 H 0 0 0
- -2.0942 -2.2927 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 10 12 2 0
- 10 13 1 0
- 9 11 2 0
- 4 14 1 0
- 6 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -1.3433 0.3924 0.3244 C 0 0 1
- -0.8915 -1.0374 0.1306 C 0 0 0
- -0.1542 1.1761 0.3976 O 0 0 0
- -2.1898 0.8262 -0.8393 C 0 0 0
- -2.1379 0.5126 1.6255 C 0 0 1
- 0.5722 -0.9614 0.1152 C 0 0 0
- -1.5854 -2.0264 0.0140 O 0 0 0
- 0.9398 0.3848 0.2809 C 0 0 0
- -3.5284 0.6871 -0.8149 C 0 0 0
- -1.5994 1.3630 -1.9239 O 0 0 0
- -3.4179 -0.3209 1.5018 C 0 0 0
- -1.2955 -0.0159 2.7882 C 0 0 0
- 1.5596 -1.9524 -0.0284 C 0 0 0
- 2.2880 0.7168 0.3045 C 0 0 0
- -4.1908 0.1383 0.2926 C 0 0 0
- -2.4058 1.7861 -3.0548 C 0 0 0
- 2.8954 -1.5983 -0.0029 C 0 0 0
- 1.2024 -3.2507 -0.1909 O 0 0 0
- 3.2569 -0.2671 0.1649 C 0 0 0
- 2.7647 2.3733 0.5105 Cl 0 0 0
- -5.4008 0.0319 0.2770 O 0 0 0
- 0.7990 -3.4007 -1.5535 C 0 0 0
- 4.5699 0.0744 0.1911 O 0 0 0
- 4.8830 0.6106 -1.0960 C 0 0 0
- -2.3522 1.5009 0.0000 H 0 0 0
- -3.9201 1.6194 0.0000 H 0 0 0
- -4.0605 -1.1017 0.0000 H 0 0 0
- -2.7437 -1.0747 0.0000 H 0 0 0
- -1.8329 -0.8725 0.0000 H 0 0 0
- -0.4389 -0.5533 0.0000 H 0 0 0
- -0.7581 0.8407 0.0000 H 0 0 0
- -1.9360 2.6816 0.0000 H 0 0 0
- -3.3013 2.2559 0.0000 H 0 0 0
- -2.8756 0.8906 0.0000 H 0 0 0
- 3.6083 -2.3155 0.0000 H 0 0 0
- 0.4465 -2.4528 0.0000 H 0 0 0
- -0.1489 -3.7532 0.0000 H 0 0 0
- 1.1515 -4.3486 0.0000 H 0 0 0
- 5.7563 0.1007 0.0000 H 0 0 0
- 5.3929 1.4839 0.0000 H 0 0 0
- 4.0097 1.1205 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 13 18 1 0
- 14 19 2 0
- 14 20 1 0
- 15 21 2 0
- 18 22 1 0
- 19 23 1 0
- 23 24 1 0
- 6 8 2 0
- 11 15 1 0
- 17 19 1 0
- 5 25 1 0
- 9 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-193-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.7742 0.0460 -0.0020 C 0 0 0
- -0.6909 -0.0512 -0.0013 C 0 0 0
- 1.3621 1.2181 -0.0009 C 0 0 0
- 1.5451 -1.2115 0.0021 C 0 0 0
- -1.4831 1.1936 0.0009 C 0 0 0
- -1.2955 -1.2156 -0.0021 C 0 0 0
- 0.5737 2.4591 0.0015 C 0 0 0
- 2.8373 1.2655 -0.0015 C 0 0 0
- 0.7919 -2.4780 0.0065 C 0 0 0
- 2.8552 -1.1638 0.0021 C 0 0 0
- -0.7439 2.4667 0.0020 C 0 0 0
- -2.7895 1.1092 0.0012 C 0 0 0
- -0.5266 -2.4649 -0.0039 C 0 0 0
- -2.7711 -1.2072 -0.0007 C 0 0 0
- 3.5322 0.1474 -0.0033 C 0 0 0
- -3.4044 -0.0972 -0.0004 N 0 0 0
- 1.1063 3.4218 0.0000 H 0 0 0
- 3.3564 2.2356 0.0000 H 0 0 0
- 1.3311 -3.4370 0.0000 H 0 0 0
- 3.4445 -2.0929 0.0000 H 0 0 0
- -1.2901 3.4218 0.0000 H 0 0 0
- -3.3943 2.0283 0.0000 H 0 0 0
- -1.0680 -3.4227 0.0000 H 0 0 0
- -3.3264 -2.1570 0.0000 H 0 0 0
- 4.6315 0.1911 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 8 15 2 0
- 12 16 1 0
- 7 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 16 2 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25148-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.2042 -0.1124 -0.3018 C 0 0 0
- 0.0005 -0.7944 -0.4681 C 0 0 0
- 1.2033 1.3120 0.0475 C 0 0 0
- 2.4428 -0.7713 -0.4583 C 0 0 0
- -1.2045 -0.1142 -0.3003 C 0 0 0
- 0.0014 -2.2582 -0.8266 C 0 0 0
- -0.0013 1.9924 0.2144 C 0 0 0
- 2.4408 1.9718 0.2088 C 0 0 0
- 3.5969 -0.0770 -0.2887 C 0 0 0
- -1.2053 1.3100 0.0490 C 0 0 0
- -2.4422 -0.7735 -0.4614 C 0 0 0
- 0.0028 -3.2462 0.6816 Cl 0 0 0
- -0.0022 3.4559 0.5738 C 0 0 0
- 3.5959 1.2794 0.0386 C 0 0 0
- -2.4436 1.9680 0.2109 C 0 0 0
- -3.5971 -0.0810 -0.2911 C 0 0 0
- -3.5979 1.2742 0.0413 C 0 0 0
- 2.4701 -1.8087 0.0000 H 0 0 0
- -0.8978 -1.7401 0.0000 H 0 0 0
- -0.8968 -2.7781 0.0000 H 0 0 0
- 2.4668 3.0093 0.0000 H 0 0 0
- 4.5005 -0.5875 0.0000 H 0 0 0
- -2.4685 -1.8110 0.0000 H 0 0 0
- 1.0356 3.4565 0.0000 H 0 0 0
- -0.0028 4.4937 0.0000 H 0 0 0
- -1.0400 3.4553 0.0000 H 0 0 0
- 4.4987 1.7912 0.0000 H 0 0 0
- -2.4710 3.0054 0.0000 H 0 0 0
- -4.5000 -0.5927 0.0000 H 0 0 0
- -4.5013 1.7849 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 15 17 2 0
- 7 10 1 0
- 9 14 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- -0.0326 0.0000 -0.0014 N 0 3 0
- -1.4976 0.0001 0.0005 C 0 0 0
- 0.5764 1.0548 0.0004 O 0 0 0
- 0.5763 -1.0549 0.0004 O 0 5 0
- -1.4975 0.9136 0.0000 H 0 0 0
- -2.4111 0.0002 0.0000 H 0 0 0
- -1.4977 -0.9134 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4444-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -0.9517 -0.0032 0.0302 N 0 0 0
- 0.3357 -0.0283 0.7373 C 0 0 0
- -1.7114 -1.1715 0.4949 C 0 0 0
- -1.6719 1.1852 0.5065 C 0 0 0
- 1.4774 -0.0044 -0.2810 C 0 0 0
- -2.1029 -2.0357 -0.7055 C 0 0 0
- -1.9948 2.0954 -0.6802 C 0 0 0
- 2.8182 -0.0305 0.4555 C 0 0 0
- 3.9599 -0.0066 -0.5628 C 0 0 0
- -0.1246 -0.8146 0.0000 H 0 0 0
- 0.7971 -0.8139 0.0000 H 0 0 0
- -2.1649 -0.3813 0.0000 H 0 0 0
- -2.6215 -1.2151 0.0000 H 0 0 0
- -2.5770 1.2895 0.0000 H 0 0 0
- -2.1638 0.4183 0.0000 H 0 0 0
- 1.9377 0.7819 0.0000 H 0 0 0
- 1.0160 0.7812 0.0000 H 0 0 0
- -2.9328 -1.6597 0.0000 H 0 0 0
- -2.4789 -2.8656 0.0000 H 0 0 0
- -1.2730 -2.4117 0.0000 H 0 0 0
- -1.1361 2.4000 0.0000 H 0 0 0
- -2.2994 2.9541 0.0000 H 0 0 0
- -2.8535 1.7908 0.0000 H 0 0 0
- 2.3579 -0.8168 0.0000 H 0 0 0
- 3.2796 -0.8161 0.0000 H 0 0 0
- 3.9790 -0.9175 0.0000 H 0 0 0
- 4.8708 0.0125 0.0000 H 0 0 0
- 3.9408 0.9043 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-113058-38-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -0.3073 0.4931 -0.0041 C 0 0 0
- -0.5654 -0.8997 -0.0032 C 0 0 0
- 1.0850 0.9819 -0.0029 C 0 0 0
- -1.3552 1.3983 -0.0004 C 0 0 0
- 0.5601 -1.8537 -0.0009 C 0 0 0
- -1.8685 -1.3681 -0.0039 C 0 0 0
- 2.1526 0.0676 -0.0008 C 0 0 0
- 1.3479 2.3516 -0.0030 C 0 0 0
- -2.6769 0.9349 0.0044 C 0 0 0
- 1.8839 -1.3817 0.0003 C 0 0 0
- 0.3179 -3.2282 0.0005 C 0 0 0
- -2.9359 -0.4612 -0.0059 C 0 0 0
- 3.4668 0.5396 0.0014 C 0 0 0
- 2.6555 2.8012 -0.0008 C 0 0 0
- -3.7586 1.8361 0.0089 C 0 0 0
- 2.9412 -2.2933 0.0030 C 0 0 0
- 1.3748 -4.1117 0.0031 C 0 0 0
- -4.2693 -0.9132 -0.0061 C 0 0 0
- 3.7112 1.8940 0.0013 C 0 0 0
- 2.9113 4.1358 -0.0013 O 0 0 0
- -5.0324 1.3601 0.0140 C 0 0 0
- 2.6813 -3.6461 0.0044 C 0 0 0
- -5.2871 -0.0113 -0.0075 C 0 0 0
- -1.1600 2.4267 0.0000 H 0 0 0
- -2.0555 -2.3980 0.0000 H 0 0 0
- 0.5572 3.0376 0.0000 H 0 0 0
- -0.6654 -3.5872 0.0000 H 0 0 0
- 4.2659 -0.1365 0.0000 H 0 0 0
- -3.5831 2.8680 0.0000 H 0 0 0
- 3.9299 -1.9494 0.0000 H 0 0 0
- 1.1905 -5.1421 0.0000 H 0 0 0
- -4.4764 -1.9393 0.0000 H 0 0 0
- 4.6976 2.2443 0.0000 H 0 0 0
- 3.1083 5.1638 0.0000 H 0 0 0
- -5.8341 2.0332 0.0000 H 0 0 0
- 3.4757 -4.3277 0.0000 H 0 0 0
- -6.2770 -0.3515 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 2 0
- 16 22 2 0
- 18 23 2 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 22 1 0
- 21 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7300-59-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -4.0874 0.0859 0.0176 C 0 0 0
- -3.1894 0.9153 -0.6293 C 0 0 0
- -3.6958 -1.1745 0.4296 C 0 0 0
- -5.4689 0.5509 0.2749 N 0 3 0
- -1.8981 0.4866 -0.8657 C 0 0 0
- -2.4056 -1.6092 0.1960 C 0 0 0
- -6.2608 -0.1784 0.8445 O 0 0 0
- -5.8137 1.6629 -0.0830 O 0 5 0
- -1.5017 -0.7790 -0.4532 C 0 0 0
- -0.1939 -1.2162 -0.6909 N 0 0 0
- 0.8509 -0.4820 -0.2599 C 0 0 0
- 2.2565 -0.8843 -0.6254 C 0 0 0
- 0.6600 0.5026 0.4222 O 0 0 0
- 3.2466 0.1093 -0.0145 C 0 0 0
- 4.6736 -0.2993 -0.3856 C 0 0 1
- 5.6488 0.6794 0.2162 C 0 0 0
- 4.9480 -1.6458 0.1334 N 0 0 0
- 6.0204 1.7680 -0.4756 O 0 0 0
- 6.0963 0.4842 1.3214 O 0 0 0
- -3.3993 1.8876 0.0000 H 0 0 0
- -4.4074 -1.8694 0.0000 H 0 0 0
- -1.1888 1.1839 0.0000 H 0 0 0
- -2.1993 -2.5822 0.0000 H 0 0 0
- -0.0502 -2.2004 0.0000 H 0 0 0
- 1.8265 -1.7812 0.0000 H 0 0 0
- 3.0687 -1.4585 0.0000 H 0 0 0
- 3.6767 1.0062 0.0000 H 0 0 0
- 2.4344 0.6835 0.0000 H 0 0 0
- 5.6264 -0.5850 0.0000 H 0 0 0
- 4.2032 -2.3051 0.0000 H 0 0 0
- 5.8914 -1.9611 0.0000 H 0 0 0
- 6.3417 2.7093 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 6 9 2 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-597-25-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 0.9816 0.0219 -0.2072 P 0 0 0
- -0.5781 0.2477 0.3833 N 0 0 0
- 1.8154 1.3911 -0.0579 O 0 0 0
- 1.7094 -1.1438 0.6315 O 0 0 0
- 0.9177 -0.3636 -1.6346 O 0 0 0
- -1.1733 -1.0877 0.5250 C 0 0 0
- -1.3334 0.9358 -0.6720 C 0 0 0
- 1.7531 1.7645 1.3201 C 0 0 0
- 2.9031 -1.4800 -0.0786 C 0 0 0
- -2.6512 -0.9522 0.8937 C 0 0 0
- -2.8074 1.0206 -0.2733 C 0 0 0
- -3.3525 -0.2938 -0.1609 O 0 0 0
- -1.3824 -2.1156 0.0000 H 0 0 0
- -0.1744 -1.4077 0.0000 H 0 0 0
- -0.4313 1.4710 0.0000 H 0 0 0
- -1.5817 1.9549 0.0000 H 0 0 0
- 2.7877 1.9371 0.0000 H 0 0 0
- 1.5805 2.7991 0.0000 H 0 0 0
- 0.7185 1.5919 0.0000 H 0 0 0
- 2.6187 -2.4897 0.0000 H 0 0 0
- 3.9128 -1.7644 0.0000 H 0 0 0
- 3.1875 -0.4703 0.0000 H 0 0 0
- -3.5645 -1.4681 0.0000 H 0 0 0
- -2.4311 -1.9778 0.0000 H 0 0 0
- -2.6306 2.0545 0.0000 H 0 0 0
- -3.8151 1.3117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-497-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.0146 -0.3229 -0.0040 C 0 0 0
- -0.2455 -0.8919 0.0212 C 0 0 0
- 1.1527 1.0510 -0.0375 C 0 0 0
- 2.2164 -1.1867 0.0111 N 0 3 0
- -1.3700 -0.0877 0.0129 C 0 0 0
- 0.0257 1.8604 -0.0458 C 0 0 0
- 2.5262 1.6705 -0.0644 C 0 0 0
- 2.4689 -1.8957 -0.9465 O 0 0 0
- 2.9530 -1.1885 0.9812 O 0 5 0
- -1.2372 1.2872 -0.0201 C 0 0 0
- -2.7173 -0.7001 0.0400 N 0 3 0
- 0.1589 3.2125 -0.0783 O 0 0 0
- -3.7083 0.0080 0.0327 O 0 0 0
- -2.8349 -1.9120 0.0695 O 0 5 0
- -0.3473 -1.9233 0.0000 H 0 0 0
- 2.9523 0.7257 0.0000 H 0 0 0
- 3.4710 2.0966 0.0000 H 0 0 0
- 2.1001 2.6153 0.0000 H 0 0 0
- -2.0804 1.8898 0.0000 H 0 0 0
- 0.2605 4.2439 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-72-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.2161 0.7252 -0.0026 C 0 0 0
- 0.2468 -0.6811 -0.0004 C 0 0 0
- 1.6148 1.1605 -0.0014 C 0 0 0
- -1.0089 1.3953 -0.0001 C 0 0 0
- 1.5709 -1.0586 0.0018 N 0 0 0
- -0.9510 -1.3890 -0.0005 C 0 0 0
- 2.3710 0.0514 0.0012 C 0 0 0
- -2.1731 0.6803 0.0044 C 0 0 0
- -2.1482 -0.7078 -0.0027 C 0 0 0
- 1.9561 2.1399 0.0000 H 0 0 0
- -1.0349 2.4321 0.0000 H 0 0 0
- 1.9112 -2.0384 0.0000 H 0 0 0
- -0.9425 -2.4261 0.0000 H 0 0 0
- 3.4081 0.0378 0.0000 H 0 0 0
- -3.0828 1.1785 0.0000 H 0 0 0
- -3.0401 -1.2372 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 5 7 1 0
- 8 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4457-41-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 3.5506 0.0061 0.0180 C 0 0 0
- 2.5045 1.0386 -0.1302 C 0 0 0
- 4.8999 0.3636 -0.0240 C 0 0 0
- 3.1947 -1.3307 0.2065 C 0 0 0
- 1.2039 0.6904 -0.0891 O 0 0 0
- 2.8172 2.2015 -0.2890 O 0 0 0
- 5.8714 -0.6055 0.1150 C 0 0 0
- 4.1768 -2.2898 0.3442 C 0 0 0
- 0.1757 1.7052 -0.2348 C 0 0 0
- 5.5117 -1.9295 0.2958 C 0 0 0
- -1.1832 1.0588 -0.1529 C 0 0 0
- -2.0709 1.4387 0.8366 C 0 0 0
- -1.5442 0.0903 -1.0705 C 0 0 0
- -3.3172 0.8459 0.9118 C 0 0 0
- -2.7909 -0.5027 -0.9953 C 0 0 0
- -3.6762 -0.1270 -0.0026 C 0 0 0
- -5.0109 -0.7619 0.0778 N 0 3 0
- -5.3271 -1.6190 -0.7277 O 0 0 0
- -5.7929 -0.4272 0.9496 O 0 5 0
- 5.1671 1.3577 0.0000 H 0 0 0
- 2.2022 -1.6038 0.0000 H 0 0 0
- 6.8660 -0.3402 0.0000 H 0 0 0
- 3.9172 -3.2859 0.0000 H 0 0 0
- 0.9787 2.3492 0.0000 H 0 0 0
- -0.3711 2.5773 0.0000 H 0 0 0
- 6.2390 -2.6580 0.0000 H 0 0 0
- -2.0913 2.4679 0.0000 H 0 0 0
- -0.7853 -0.6051 0.0000 H 0 0 0
- -4.0772 1.5401 0.0000 H 0 0 0
- -2.7690 -1.5318 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 10 2 0
- 15 16 2 0
- 3 20 1 0
- 4 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5875-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.5327 0.7132 -0.3901 C 0 0 0
- -1.6250 -0.2740 -0.0685 C 0 0 0
- -0.7020 1.9618 0.4778 C 0 0 0
- 1.2177 -0.1049 -0.0268 Br 0 0 0
- -1.3103 -1.5009 0.3921 N 0 0 0
- -2.7872 0.0356 -0.2242 O 0 0 0
- -1.4249 1.0394 0.0000 H 0 0 0
- 0.2393 2.0894 0.0000 H 0 0 0
- -0.8296 2.9031 0.0000 H 0 0 0
- -1.6433 1.8342 0.0000 H 0 0 0
- -1.9892 -2.1654 0.0000 H 0 0 0
- -0.3954 -1.7566 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102791-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.3479 -0.8819 0.0104 C 0 0 0
- -1.6461 -0.1861 -0.0073 C 0 0 0
- 0.9039 -0.1057 0.0052 C 0 0 0
- -0.3066 -2.1970 0.0363 C 0 0 0
- -1.6924 1.2860 -0.0302 C 0 0 0
- -2.7645 -0.8796 -0.0022 C 0 0 0
- 2.0637 -0.7273 0.0217 C 0 0 0
- 0.8576 1.3664 -0.0179 C 0 0 0
- -1.5585 -2.9732 0.0469 C 0 0 0
- 0.9916 -2.8928 0.0551 C 0 0 0
- -0.4406 2.0623 -0.0361 C 0 0 0
- -2.8522 1.9077 -0.0449 C 0 0 0
- -2.7182 -2.3517 0.0205 C 0 0 0
- -4.0627 -0.1837 -0.0188 C 0 0 0
- 2.1100 -2.1994 0.0453 C 0 0 0
- 3.2153 -0.0132 0.0166 N 0 3 0
- 1.8825 2.0020 -0.0224 O 0 0 0
- -0.4785 3.2675 -0.0549 O 0 0 0
- -4.1041 1.1315 -0.0385 C 0 0 0
- 4.0093 -0.1448 -0.8976 O 0 0 0
- 3.4563 0.7601 0.9261 O 0 5 0
- -1.5251 -4.0331 0.0000 H 0 0 0
- 1.0250 -3.9527 0.0000 H 0 0 0
- -2.8856 2.9676 0.0000 H 0 0 0
- -3.6194 -2.9106 0.0000 H 0 0 0
- -4.9639 -0.7426 0.0000 H 0 0 0
- 3.0446 -2.7005 0.0000 H 0 0 0
- -5.0387 1.6326 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 2 0
- 11 18 2 0
- 12 19 1 0
- 16 20 2 0
- 16 21 1 0
- 8 11 1 0
- 9 13 2 0
- 10 15 2 0
- 14 19 2 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-68-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- -0.1242 -1.7064 -0.2886 C 0 0 0
- -1.4476 -1.4485 0.1160 C 0 0 0
- 0.6753 -0.6455 -0.9376 C 0 0 0
- 0.4292 -2.9650 -0.0686 C 0 0 0
- -2.1891 -2.4569 0.7260 C 0 0 0
- -2.0464 -0.1149 -0.1050 C 0 0 0
- 1.8534 -0.2684 -0.4043 O 0 0 0
- 0.2698 -0.1140 -1.9516 O 0 0 0
- -0.3202 -3.9520 0.5437 C 0 0 0
- -1.6249 -3.7020 0.9309 C 0 0 0
- -3.3481 0.0932 0.1718 O 0 0 0
- -1.3646 0.7930 -0.5363 O 0 0 0
- 2.6385 0.7735 -1.0417 C 0 0 0
- -3.9362 1.4029 -0.0452 C 0 0 0
- 3.9014 1.0046 -0.2526 C 0 0 0
- -5.4151 1.3690 0.3454 C 0 0 0
- 5.1336 0.8178 -0.8502 C 0 0 0
- 3.8275 1.4089 1.0675 C 0 0 0
- -6.0348 2.7491 0.1167 C 0 0 0
- 6.2923 1.0297 -0.1262 C 0 0 0
- 4.9857 1.6208 1.7912 C 0 0 0
- -7.5137 2.7152 0.5074 C 0 0 0
- 6.2183 1.4284 1.1951 C 0 0 0
- 1.3932 -3.0789 0.0000 H 0 0 0
- -3.1545 -2.3559 0.0000 H 0 0 0
- 0.0272 -4.8584 0.0000 H 0 0 0
- -2.2256 -4.4644 0.0000 H 0 0 0
- 2.7302 1.7398 0.0000 H 0 0 0
- 1.7336 1.1247 0.0000 H 0 0 0
- -3.0058 1.6795 0.0000 H 0 0 0
- -4.0870 2.3618 0.0000 H 0 0 0
- -6.3455 1.0924 0.0000 H 0 0 0
- -5.2643 0.4101 0.0000 H 0 0 0
- 5.1484 -0.1528 0.0000 H 0 0 0
- 3.0289 1.9606 0.0000 H 0 0 0
- -5.1044 3.0257 0.0000 H 0 0 0
- -6.1856 3.7080 0.0000 H 0 0 0
- 7.0917 0.4791 0.0000 H 0 0 0
- 4.9730 2.5914 0.0000 H 0 0 0
- -7.5359 3.6856 0.0000 H 0 0 0
- -8.4841 2.6930 0.0000 H 0 0 0
- -7.4915 1.7448 0.0000 H 0 0 0
- 6.8948 2.1245 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 2 0
- 19 22 1 0
- 20 23 2 0
- 9 10 1 0
- 21 23 1 0
- 4 24 1 0
- 5 25 1 0
- 9 26 1 0
- 10 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-15-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.6056 0.3162 -0.0035 C 0 0 0
- -0.5260 -0.4778 -0.0027 C 0 0 0
- 0.4840 1.6930 -0.0020 C 0 0 0
- 1.9719 -0.3195 0.0001 C 0 0 0
- -1.7802 0.1058 -0.0003 C 0 0 0
- -0.7692 2.2770 0.0004 C 0 0 0
- 2.9511 0.6797 -0.0016 F 0 0 0
- 2.1151 -1.1108 1.1449 F 0 0 0
- 2.1180 -1.1175 -1.1396 F 0 0 0
- -1.9012 1.4842 0.0013 C 0 0 0
- -3.2017 -0.8907 0.0002 Cl 0 0 0
- -0.4347 -1.5107 0.0000 H 0 0 0
- 1.3331 2.2882 0.0000 H 0 0 0
- -0.8598 3.3100 0.0000 H 0 0 0
- -2.8411 1.9222 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 10 2 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78411-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.6861 -0.4074 -0.0016 C 0 0 0
- -0.7746 -0.3891 -0.0009 C 0 0 0
- 1.3729 0.8095 -0.0009 C 0 0 0
- 1.6104 -1.3948 0.0026 N 0 0 0
- -1.4399 0.8627 0.0004 C 0 0 0
- -1.4844 -1.5160 -0.0020 N 0 0 0
- 0.6712 2.0176 0.0008 C 0 0 0
- 2.7197 0.4897 -0.0018 N 0 0 0
- 2.8126 -0.8707 -0.0005 C 0 0 0
- -0.6853 2.0513 0.0015 C 0 0 0
- -2.7763 0.8952 0.0010 N 0 0 0
- -2.7991 -1.4590 -0.0017 C 0 0 0
- 3.8374 1.4368 -0.0015 C 0 0 0
- 3.9919 -1.5868 0.0027 N 0 0 0
- -3.4562 -0.2302 0.0004 C 0 0 0
- -4.9627 -0.1907 0.0011 C 0 0 0
- 1.1994 2.9094 0.0000 H 0 0 0
- -1.1732 2.9657 0.0000 H 0 0 0
- -3.3510 -2.3363 0.0000 H 0 0 0
- 4.5075 0.6460 0.0000 H 0 0 0
- 4.6282 2.1069 0.0000 H 0 0 0
- 3.1673 2.2276 0.0000 H 0 0 0
- 3.9690 -2.6230 0.0000 H 0 0 0
- 4.9008 -1.0885 0.0000 H 0 0 0
- -4.9355 0.8454 0.0000 H 0 0 0
- -5.9988 -0.1635 0.0000 H 0 0 0
- -4.9899 -1.2268 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 15 16 1 0
- 7 10 2 0
- 8 9 1 0
- 12 15 2 0
- 7 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55256-49-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- 2.0293 0.3450 0.2938 C 0 0 0
- 2.0536 -1.0464 0.2522 C 0 0 0
- 3.4647 0.8247 0.2515 C 0 0 1
- 0.8302 1.0236 0.3558 C 0 0 0
- 0.8597 -1.7580 0.3072 C 0 0 0
- 3.3288 -1.5089 0.1455 O 0 0 0
- 4.2500 -0.4887 0.5604 C 0 0 1
- 3.8573 1.0784 -1.1918 C 0 0 0
- -0.3690 0.3020 0.3747 C 0 0 0
- 0.8132 2.3795 0.3984 O 0 0 0
- -0.3661 -1.1023 0.3901 C 0 0 0
- 5.3154 -0.4177 -0.4064 O 0 0 0
- 4.9029 0.3263 -1.4567 C 0 0 0
- -1.6724 0.9951 0.3669 C 0 0 0
- -1.4778 -1.8403 0.4856 O 0 0 0
- -2.8139 0.1192 0.0229 C 0 0 0
- -1.7966 2.1798 0.6204 O 0 0 0
- -2.6230 -1.2686 0.0992 C 0 0 0
- -4.0432 0.6626 -0.3606 C 0 0 0
- -3.6919 -2.0946 -0.2580 C 0 0 0
- -5.0846 -0.1839 -0.7057 C 0 0 0
- -4.2157 2.0080 -0.3942 O 0 0 0
- -4.8985 -1.5550 -0.6452 C 0 0 0
- 3.0239 1.7416 0.0000 H 0 0 0
- 0.8833 -2.7751 0.0000 H 0 0 0
- 4.6938 -1.4041 0.0000 H 0 0 0
- 3.8827 2.0954 0.0000 H 0 0 0
- 0.8004 3.3968 0.0000 H 0 0 0
- 5.6632 1.0023 0.0000 H 0 0 0
- -3.5714 -3.1048 0.0000 H 0 0 0
- -6.0306 0.1903 0.0000 H 0 0 0
- -4.3451 3.0171 0.0000 H 0 0 0
- -5.7129 -2.1647 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 11 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 19 22 1 0
- 20 23 2 0
- 6 7 1 0
- 9 11 2 0
- 12 13 1 0
- 16 18 2 0
- 21 23 1 0
- 3 24 1 0
- 5 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 13 29 1 0
- 20 30 1 0
- 21 31 1 0
- 22 32 1 0
- 23 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-68247-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-190196 1 V2000
- -5.5172 -1.3703 -0.3867 C 0 0 1
- -4.3096 -0.5349 -0.8165 C 0 0 2
- -6.4551 -0.5358 0.2958 O 0 0 0
- -6.1719 -1.9703 -1.6043 C 0 0 0
- -4.7711 0.6659 -1.5175 N 0 0 0
- -3.4371 -1.3494 -1.7364 C 0 0 0
- -6.1123 -0.5774 1.6825 C 0 0 2
- -6.5713 -3.2493 -1.7388 C 0 0 0
- -6.4641 -1.3225 -2.7419 N 0 0 0
- -4.7868 1.8537 -0.8808 C 0 0 0
- -2.5667 -2.2420 -1.2244 N 0 0 0
- -3.5181 -1.2017 -2.9375 O 0 0 0
- -7.3618 -0.3114 2.5251 C 0 0 1
- -5.1240 0.4135 1.9578 O 0 0 0
- -7.1107 -3.3661 -2.9914 N 0 0 0
- -7.0251 -2.1527 -3.5780 C 0 0 0
- -5.2361 3.0738 -1.5970 C 0 0 0
- -4.4334 1.9258 0.2793 O 0 0 0
- -1.7607 -3.0757 -2.1198 C 0 0 1
- -8.3553 -1.2944 2.2272 O 0 0 0
- -6.9899 -0.3945 4.0099 C 0 0 2
- -4.6793 0.2185 3.2989 C 0 0 2
- -6.4741 3.5399 -1.4294 N 0 0 0
- -4.3705 3.7513 -2.4485 C 0 0 0
- -0.3378 -3.1880 -1.5687 C 0 0 2
- -2.3823 -4.4704 -2.2151 C 0 0 0
- -9.6257 -0.6708 2.4251 C 0 0 2
- -5.8115 0.5497 4.2738 C 0 0 1
- -6.6085 -1.7337 4.3311 O 0 0 0
- -3.4833 1.1312 3.5774 C 0 0 0
- -6.8809 4.6202 -2.0598 C 0 0 0
- -4.8445 4.8957 -3.0988 C 0 0 0
- -2.9604 3.2659 -2.6653 C 0 0 0
- 0.5189 -4.0112 -2.5328 C 0 0 2
- -0.3705 -3.8309 -0.2929 O 0 0 0
- -10.5461 -1.6212 3.1945 C 0 0 2
- -10.2039 -0.3575 1.1595 O 0 0 0
- -6.2306 1.9014 4.0757 O 0 0 0
- -2.3625 0.6968 2.8046 O 0 0 0
- -8.2892 5.1086 -1.8381 C 0 0 1
- -6.0942 5.2888 -2.8803 N 0 0 0
- -4.0233 5.6076 -3.9574 N 0 0 0
- 1.7353 -4.5274 -1.8082 C 0 0 0
- 0.9585 -3.1302 -3.7038 C 0 0 0
- -10.7025 -2.9203 2.3960 C 0 0 2
- -11.8264 -1.0100 3.3652 O 0 0 0
- -10.1971 -1.5488 0.3751 C 0 0 1
- -8.2578 6.5086 -1.3942 N 0 0 0
- -9.0764 5.0059 -3.1461 C 0 0 0
- 2.6394 -5.2830 -2.4627 N 0 0 0
- 1.9007 -4.2629 -0.6362 O 0 0 0
- -11.1642 -2.5710 0.9767 C 0 0 1
- -11.6968 -3.7641 3.0345 O 0 0 0
- -10.6278 -1.2198 -1.0557 C 0 0 0
- -8.4037 6.4913 0.0674 C 0 0 0
- -8.4713 5.9309 -4.1704 C 0 0 0
- 3.7597 -5.8813 -1.7327 C 0 0 2
- -11.1689 -3.7526 0.1730 O 0 0 0
- -11.6049 -5.1039 2.9379 C 0 0 0
- -9.7193 -0.2724 -1.6206 O 0 0 0
- -8.3791 7.9256 0.5994 C 0 0 1
- -8.8793 5.8745 -5.4537 N 0 0 0
- -7.6173 6.7261 -3.8400 O 0 0 0
- 4.8887 -4.8872 -1.6424 C 0 0 0
- 4.2397 -7.1323 -2.4713 C 0 0 1
- -12.5278 -5.8871 3.5305 N 0 0 0
- -10.6900 -5.6069 2.3163 O 0 0 0
- -8.5288 7.9079 2.0988 C 0 0 0
- -7.1025 8.5586 0.2422 N 0 0 0
- 6.0312 -5.2205 -1.0099 N 0 0 0
- 4.7692 -3.7872 -2.1390 O 0 0 0
- 3.2734 -8.2871 -2.1997 C 0 0 0
- 4.2845 -6.8689 -3.8750 O 0 0 0
- -9.7555 7.9625 2.6543 N 0 0 0
- -7.5453 7.8445 2.8057 O 0 0 0
- 7.1287 -4.2540 -0.9222 C 0 0 0
- 8.2988 -4.8789 -0.1598 C 0 0 0
- 9.4277 -3.8848 -0.0695 C 0 0 0
- 9.6591 -2.9892 0.8578 N 0 0 0
- 10.7530 -3.6436 -1.1647 S 0 0 0
- 10.7067 -2.1799 0.7927 C 0 0 0
- 11.5497 -2.3102 -0.2814 C 0 0 0
- 10.9594 -1.1721 1.8436 C 0 0 0
- 11.9422 -0.2944 1.9382 N 0 0 0
- 10.0122 -0.8159 3.3148 S 0 0 0
- 11.9907 0.5337 2.9729 C 0 0 0
- 11.0110 0.4643 3.9306 C 0 0 0
- 13.0806 1.5170 3.0909 C 0 0 0
- 14.0373 1.5795 2.1435 N 0 0 0
- 13.1175 2.2728 4.0432 O 0 0 0
- 15.1215 2.5577 2.2608 C 0 0 0
- 16.0649 2.4193 1.0642 C 0 0 0
- 17.1972 3.4409 1.1867 C 0 0 0
- 18.1030 3.3081 0.0378 N 0 0 0
- 19.1611 4.3113 0.2162 C 0 0 0
- 20.4371 3.8127 -0.4117 C 0 0 0
- 18.7405 5.6208 -0.4542 C 0 0 0
- 21.6594 4.2006 0.1051 C 0 0 0
- 20.3854 2.9632 -1.5007 C 0 0 0
- 22.8296 3.7433 -0.4709 C 0 0 0
- 21.5560 2.5058 -2.0768 C 0 0 0
- 22.7780 2.8981 -1.5637 C 0 0 0
- -4.9403 -2.0933 0.0000 H 0 0 0
- -3.5427 -0.0177 0.0000 H 0 0 0
- -5.6794 0.4911 0.0000 H 0 0 0
- -5.8100 -1.4516 0.0000 H 0 0 0
- -5.9471 -3.9319 0.0000 H 0 0 0
- -1.9031 -1.5977 0.0000 H 0 0 0
- -7.6220 0.5762 0.0000 H 0 0 0
- -7.7164 -4.0652 0.0000 H 0 0 0
- -7.8995 -1.8509 0.0000 H 0 0 0
- -1.3663 -2.2390 0.0000 H 0 0 0
- -7.1988 0.5066 0.0000 H 0 0 0
- -4.5104 -0.6909 0.0000 H 0 0 0
- 0.0411 -2.3442 0.0000 H 0 0 0
- -3.2272 -4.0939 0.0000 H 0 0 0
- -2.7588 -5.3153 0.0000 H 0 0 0
- -1.5374 -4.8469 0.0000 H 0 0 0
- -9.2015 0.1512 0.0000 H 0 0 0
- -5.6319 -0.3577 0.0000 H 0 0 0
- -6.3551 -2.6233 0.0000 H 0 0 0
- -2.9976 1.9184 0.0000 H 0 0 0
- -4.1689 1.7521 0.0000 H 0 0 0
- -3.2615 2.3913 0.0000 H 0 0 0
- -2.0858 2.9648 0.0000 H 0 0 0
- -2.6593 4.1405 0.0000 H 0 0 0
- 0.0094 -4.7832 0.0000 H 0 0 0
- -0.4175 -4.7547 0.0000 H 0 0 0
- -9.7110 -2.0190 0.0000 H 0 0 0
- -6.5045 2.7849 0.0000 H 0 0 0
- -1.5000 0.3625 0.0000 H 0 0 0
- -8.3834 4.1884 0.0000 H 0 0 0
- -3.1491 5.3053 0.0000 H 0 0 0
- -4.1986 6.5158 0.0000 H 0 0 0
- 1.7862 -3.5432 0.0000 H 0 0 0
- 1.3715 -2.3025 0.0000 H 0 0 0
- 0.1308 -2.7172 0.0000 H 0 0 0
- -9.8879 -3.3584 0.0000 H 0 0 0
- -12.6611 -0.6115 0.0000 H 0 0 0
- -9.3367 -1.8885 0.0000 H 0 0 0
- -7.6357 7.1932 0.0000 H 0 0 0
- -9.9475 5.3169 0.0000 H 0 0 0
- -9.1748 4.0862 0.0000 H 0 0 0
- 2.1222 -6.0499 0.0000 H 0 0 0
- -12.0229 -2.2272 0.0000 H 0 0 0
- -11.3189 -0.6050 0.0000 H 0 0 0
- -11.2164 -1.9334 0.0000 H 0 0 0
- -9.3283 6.4655 0.0000 H 0 0 0
- -8.3363 5.5688 0.0000 H 0 0 0
- 3.0663 -6.4935 0.0000 H 0 0 0
- -11.1726 -4.6776 0.0000 H 0 0 0
- -9.0791 0.3952 0.0000 H 0 0 0
- -8.6427 8.8122 0.0000 H 0 0 0
- -9.4471 6.6047 0.0000 H 0 0 0
- -9.2277 5.0177 0.0000 H 0 0 0
- 5.0795 -7.5201 0.0000 H 0 0 0
- -13.3987 -5.5756 0.0000 H 0 0 0
- -12.3621 -6.7971 0.0000 H 0 0 0
- -6.3323 8.0464 0.0000 H 0 0 0
- -7.0440 9.4817 0.0000 H 0 0 0
- 6.2322 -6.1234 0.0000 H 0 0 0
- 2.5640 -7.6935 0.0000 H 0 0 0
- 2.6798 -8.9965 0.0000 H 0 0 0
- 3.9828 -8.8807 0.0000 H 0 0 0
- 4.4396 -5.9570 0.0000 H 0 0 0
- -10.1819 8.7833 0.0000 H 0 0 0
- -10.2531 7.1828 0.0000 H 0 0 0
- 7.6585 -3.4958 0.0000 H 0 0 0
- 6.4390 -3.6376 0.0000 H 0 0 0
- 7.7690 -5.6371 0.0000 H 0 0 0
- 8.9885 -5.4953 0.0000 H 0 0 0
- 12.3868 -1.9167 0.0000 H 0 0 0
- 10.5761 1.2807 0.0000 H 0 0 0
- 14.3972 0.7274 0.0000 H 0 0 0
- 15.4612 3.4180 0.0000 H 0 0 0
- 14.3614 3.0848 0.0000 H 0 0 0
- 15.7252 1.5590 0.0000 H 0 0 0
- 16.8250 1.8922 0.0000 H 0 0 0
- 17.5368 4.3013 0.0000 H 0 0 0
- 16.4371 3.9680 0.0000 H 0 0 0
- 18.3822 2.4263 0.0000 H 0 0 0
- 19.8350 4.9449 0.0000 H 0 0 0
- 19.6212 5.9037 0.0000 H 0 0 0
- 18.4576 6.5015 0.0000 H 0 0 0
- 17.8598 5.3379 0.0000 H 0 0 0
- 21.6896 5.1251 0.0000 H 0 0 0
- 19.6060 2.4650 0.0000 H 0 0 0
- 23.6090 4.2414 0.0000 H 0 0 0
- 21.5274 1.5813 0.0000 H 0 0 0
- 23.5084 2.3306 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 2 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 17 23 1 0
- 17 24 2 0
- 19 25 1 0
- 19 26 1 0
- 27 20 1 0
- 21 28 1 0
- 21 29 1 0
- 22 30 1 0
- 23 31 2 0
- 24 32 1 0
- 24 33 1 0
- 25 34 1 0
- 25 35 1 0
- 27 36 1 0
- 27 37 1 0
- 28 38 1 0
- 30 39 1 0
- 31 40 1 0
- 31 41 1 0
- 32 42 1 0
- 34 43 1 0
- 34 44 1 0
- 36 45 1 0
- 36 46 1 0
- 37 47 1 0
- 40 48 1 0
- 40 49 1 0
- 43 50 1 0
- 43 51 2 0
- 45 52 1 0
- 45 53 1 0
- 47 54 1 0
- 48 55 1 0
- 49 56 1 0
- 57 50 1 0
- 52 58 1 0
- 53 59 1 0
- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 56 63 2 0
- 57 64 1 0
- 57 65 1 0
- 59 66 1 0
- 59 67 2 0
- 61 68 1 0
- 61 69 1 0
- 64 70 1 0
- 64 71 2 0
- 65 72 1 0
- 65 73 1 0
- 68 74 1 0
- 68 75 2 0
- 70 76 1 0
- 76 77 1 0
- 77 78 1 0
- 78 79 2 0
- 78 80 1 0
- 79 81 1 0
- 80 82 1 0
- 81 83 1 0
- 83 84 2 0
- 83 85 1 0
- 84 86 1 0
- 85 87 1 0
- 86 88 1 0
- 88 89 1 0
- 88 90 2 0
- 89 91 1 0
- 91 92 1 0
- 92 93 1 0
- 93 94 1 0
- 94 95 1 0
- 95 96 1 0
- 95 97 1 0
- 96 98 1 0
- 96 99 2 0
- 98100 2 0
- 99101 1 0
-100102 1 0
- 15 16 1 0
- 22 28 1 0
- 32 41 2 0
- 47 52 1 0
- 81 82 2 0
- 86 87 2 0
-101102 2 0
- 1103 1 0
- 2104 1 0
- 5105 1 0
- 7106 1 0
- 8107 1 0
- 11108 1 0
- 13109 1 0
- 15110 1 0
- 16111 1 0
- 19112 1 0
- 21113 1 0
- 22114 1 0
- 25115 1 0
- 26116 1 0
- 26117 1 0
- 26118 1 0
- 27119 1 0
- 28120 1 0
- 29121 1 0
- 30122 1 0
- 30123 1 0
- 33124 1 0
- 33125 1 0
- 33126 1 0
- 34127 1 0
- 35128 1 0
- 36129 1 0
- 38130 1 0
- 39131 1 0
- 40132 1 0
- 42133 1 0
- 42134 1 0
- 44135 1 0
- 44136 1 0
- 44137 1 0
- 45138 1 0
- 46139 1 0
- 47140 1 0
- 48141 1 0
- 49142 1 0
- 49143 1 0
- 50144 1 0
- 52145 1 0
- 54146 1 0
- 54147 1 0
- 55148 1 0
- 55149 1 0
- 57150 1 0
- 58151 1 0
- 60152 1 0
- 61153 1 0
- 62154 1 0
- 62155 1 0
- 65156 1 0
- 66157 1 0
- 66158 1 0
- 69159 1 0
- 69160 1 0
- 70161 1 0
- 72162 1 0
- 72163 1 0
- 72164 1 0
- 73165 1 0
- 74166 1 0
- 74167 1 0
- 76168 1 0
- 76169 1 0
- 77170 1 0
- 77171 1 0
- 82172 1 0
- 87173 1 0
- 89174 1 0
- 91175 1 0
- 91176 1 0
- 92177 1 0
- 92178 1 0
- 93179 1 0
- 93180 1 0
- 94181 1 0
- 95182 1 0
- 97183 1 0
- 97184 1 0
- 97185 1 0
- 98186 1 0
- 99187 1 0
-100188 1 0
-101189 1 0
-102190 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 1.2694 0.0763 -0.2480 C 0 0 0
- 0.0326 -0.1647 0.6198 C 0 0 0
- 2.2051 1.0588 0.4593 C 0 0 0
- 1.9991 -1.2491 -0.4754 C 0 0 0
- -1.2183 -0.1547 -0.2612 C 0 0 0
- -2.3127 -0.9969 0.3975 C 0 0 0
- -1.6931 1.2261 -0.4218 N 0 0 0
- 0.7762 0.9767 0.0000 H 0 0 0
- -0.4276 -1.0824 0.0000 H 0 0 0
- 0.6533 -0.9825 0.0000 H 0 0 0
- 2.9485 0.3508 0.0000 H 0 0 0
- 2.9131 1.8022 0.0000 H 0 0 0
- 1.4617 1.7668 0.0000 H 0 0 0
- 1.0997 -1.7442 0.0000 H 0 0 0
- 2.4942 -2.1485 0.0000 H 0 0 0
- 2.8985 -0.7540 0.0000 H 0 0 0
- -0.8915 -1.1279 0.0000 H 0 0 0
- -2.9388 -0.1833 0.0000 H 0 0 0
- -3.1263 -1.6230 0.0000 H 0 0 0
- -1.6866 -1.8105 0.0000 H 0 0 0
- -1.0192 2.0006 0.0000 H 0 0 0
- -2.7008 1.4224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13177-25-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.8629 0.2119 0.0020 C 0 0 0
- -0.1267 -0.8511 0.0014 C 0 0 0
- -0.0418 1.4218 0.0012 C 0 0 0
- -2.3204 0.2502 -0.0022 C 0 0 0
- 1.2789 -0.4158 0.0003 C 0 0 0
- -0.8432 -2.1408 0.0020 C 0 0 0
- 1.3375 0.9109 0.0004 C 0 0 0
- -0.6705 2.5707 0.0010 C 0 0 0
- -2.9583 -0.8956 -0.0067 C 0 0 0
- -2.9355 1.5884 -0.0014 C 0 0 0
- 2.5331 -1.1918 -0.0014 C 0 0 0
- -2.1643 -2.1440 0.0033 C 0 0 0
- -0.1546 -3.3078 0.0008 N 0 0 0
- 2.6423 1.5901 0.0001 C 0 0 0
- -2.1406 2.6434 0.0018 C 0 0 0
- 3.6963 -0.5808 -0.0023 C 0 0 0
- 3.7564 0.8910 -0.0005 C 0 0 0
- -0.0890 3.4987 0.0000 H 0 0 0
- -4.0529 -0.9276 0.0000 H 0 0 0
- -4.0243 1.7058 0.0000 H 0 0 0
- 2.4946 -2.2862 0.0000 H 0 0 0
- -2.6902 -3.1045 0.0000 H 0 0 0
- -0.6931 -4.2613 0.0000 H 0 0 0
- 0.9404 -3.2974 0.0000 H 0 0 0
- 2.6863 2.6843 0.0000 H 0 0 0
- -2.6049 3.6352 0.0000 H 0 0 0
- 4.6218 -1.1662 0.0000 H 0 0 0
- 4.7253 1.4013 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 14 17 2 0
- 5 7 2 0
- 9 12 1 0
- 10 15 2 0
- 16 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3375-84-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.1081 -0.3942 -0.2936 N 0 0 0
- -1.0809 -1.3825 0.1968 C 0 0 0
- -0.6442 0.8296 -0.1915 C 0 0 0
- 1.2310 -0.6978 -0.8044 C 0 0 0
- -2.2949 -0.5285 0.6103 C 0 0 0
- -1.8833 0.8371 0.3127 O 0 0 0
- -0.0584 1.8402 -0.5260 O 0 0 0
- 2.2553 -0.5332 0.3202 C 0 0 0
- -3.4987 -0.8990 -0.2583 C 0 0 0
- 3.6232 -1.0217 -0.1604 C 0 0 0
- 2.3434 0.8453 0.6862 O 0 0 0
- -1.7187 -2.1911 0.0000 H 0 0 0
- -0.3085 -2.0636 0.0000 H 0 0 0
- 0.6334 -1.5365 0.0000 H 0 0 0
- 1.7741 -1.5728 0.0000 H 0 0 0
- -2.4562 -1.5456 0.0000 H 0 0 0
- 2.1609 -1.5587 0.0000 H 0 0 0
- -3.8016 0.0853 0.0000 H 0 0 0
- -4.4830 -1.2019 0.0000 H 0 0 0
- -3.1958 -1.8833 0.0000 H 0 0 0
- 3.2769 -1.9915 0.0000 H 0 0 0
- 4.5930 -1.3680 0.0000 H 0 0 0
- 3.9695 -0.0519 0.0000 H 0 0 0
- 2.4091 1.8730 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 8 11 1 0
- 5 6 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6850-22-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.8929 0.5155 -0.0041 C 0 0 0
- -1.2436 -0.9134 -0.0023 C 0 0 0
- 0.4720 0.8753 -0.0029 C 0 0 0
- -2.0301 1.1868 -0.0013 N 0 0 0
- -0.2041 -1.8679 0.0000 C 0 0 0
- -2.6246 -0.9767 -0.0035 C 0 0 0
- 1.4204 -0.0944 -0.0002 C 0 0 0
- -3.0945 0.2780 0.0021 N 0 0 0
- 1.0868 -1.4508 0.0006 C 0 0 0
- 2.8483 0.2954 0.0010 N 0 3 0
- -4.5129 0.6446 0.0062 C 0 0 0
- 3.7136 -0.5617 0.0034 O 0 0 0
- 3.1579 1.4734 -0.0004 O 0 5 0
- 0.7494 1.8799 0.0000 H 0 0 0
- -0.4266 -2.8861 0.0000 H 0 0 0
- -3.1987 -1.8466 0.0000 H 0 0 0
- 1.8496 -2.1610 0.0000 H 0 0 0
- -4.2521 1.6537 0.0000 H 0 0 0
- -5.5220 0.9054 0.0000 H 0 0 0
- -4.7737 -0.3645 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 2 0
- 10 13 1 0
- 6 8 1 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-555-84-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.7608 -0.0357 -0.0011 C 0 0 0
- -1.9202 0.6626 0.0000 O 0 0 0
- 0.5159 0.4886 0.0006 C 0 0 0
- -1.1251 -1.4666 0.0022 C 0 0 0
- -2.9511 -0.1868 -0.0015 C 0 0 0
- 1.5758 -0.3297 -0.0008 N 0 0 0
- -2.4877 -1.5049 0.0049 C 0 0 0
- -4.3823 0.2120 -0.0009 N 0 3 0
- 2.7690 0.1603 0.0008 N 0 0 0
- -5.2521 -0.6406 -0.0024 O 0 0 0
- -4.7351 1.5833 0.0012 O 0 5 0
- 3.9017 -0.5547 -0.0003 C 0 0 0
- 3.1019 1.5927 -0.0024 C 0 0 0
- 5.0145 0.1909 0.0018 N 0 0 0
- 3.9182 -1.7693 -0.0026 O 0 0 0
- 4.6428 1.6136 0.0013 C 0 0 0
- 0.6524 1.5018 0.0000 H 0 0 0
- -0.4864 -2.2649 0.0000 H 0 0 0
- -3.0669 -2.3473 0.0000 H 0 0 0
- 3.1704 2.6128 0.0000 H 0 0 0
- 2.0907 1.7432 0.0000 H 0 0 0
- 5.9704 -0.1716 0.0000 H 0 0 0
- 5.6496 1.7915 0.0000 H 0 0 0
- 4.5466 2.6314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 5 7 2 0
- 14 16 1 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 16 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 1.5857 -0.2840 -0.0007 S 0 0 0
- -0.1458 0.0423 0.0014 C 0 0 0
- 1.7640 -1.7954 0.0181 O 0 0 0
- 2.0578 0.1447 -1.2706 O 0 0 0
- 2.0670 0.1772 1.2543 O 0 0 0
- -0.6064 1.3526 -0.0009 C 0 0 0
- -1.0467 -1.0048 -0.0003 C 0 0 0
- -1.9725 1.6054 0.0003 C 0 0 0
- 0.3018 2.4138 -0.0040 N 0 0 0
- -2.4056 -0.7496 0.0009 C 0 0 0
- -2.8676 0.5540 0.0038 C 0 0 0
- -3.3855 -1.8946 -0.0011 C 0 0 0
- 1.8858 -2.8277 0.0000 H 0 0 0
- -0.7027 -1.9857 0.0000 H 0 0 0
- -2.3204 2.5849 0.0000 H 0 0 0
- 1.3237 2.2233 0.0000 H 0 0 0
- -0.0442 3.3940 0.0000 H 0 0 0
- -3.8898 0.7425 0.0000 H 0 0 0
- -4.1753 -1.2187 0.0000 H 0 0 0
- -4.0614 -2.6844 0.0000 H 0 0 0
- -2.5957 -2.5705 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 2 0
- 10 12 1 0
- 10 11 1 0
- 3 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5343-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.5626 -1.2783 0.1051 N 0 0 0
- -0.5417 -0.5063 0.0745 C 0 0 0
- 1.8303 -0.6883 0.0550 C 0 0 0
- -1.9044 -1.1435 -0.0149 C 0 0 0
- -0.4387 0.7014 0.1188 O 0 0 0
- 2.9640 -1.4832 -0.0495 C 0 0 0
- 1.9571 0.6939 0.1038 C 0 0 0
- -3.2829 0.2580 -0.0390 Br 0 0 0
- 4.2141 -0.8977 -0.0993 C 0 0 0
- 3.2097 1.2731 0.0536 C 0 0 0
- 4.3372 0.4784 -0.0452 C 0 0 0
- 5.7026 1.1138 -0.0993 C 0 0 0
- 0.4722 -2.3117 0.0000 H 0 0 0
- -2.7214 -1.7827 0.0000 H 0 0 0
- -1.3616 -2.0275 0.0000 H 0 0 0
- 2.8741 -2.5166 0.0000 H 0 0 0
- 1.1096 1.2920 0.0000 H 0 0 0
- 5.0637 -1.4928 0.0000 H 0 0 0
- 3.3034 2.3062 0.0000 H 0 0 0
- 6.1403 0.1733 0.0000 H 0 0 0
- 6.6431 1.5515 0.0000 H 0 0 0
- 5.2649 2.0543 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 12 11 1 0
- 10 11 1 0
- 1 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86853-97-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.7411 0.4983 -0.0030 C 0 0 0
- -0.7410 0.4983 -0.0010 C 0 0 0
- 1.1937 1.8185 -0.0019 C 0 0 0
- 1.6823 -0.5526 -0.0003 C 0 0 0
- -1.1935 1.8185 0.0013 C 0 0 0
- -1.6823 -0.5525 -0.0016 C 0 0 0
- 0.0001 2.7028 0.0009 C 0 0 0
- 2.5645 2.0984 -0.0033 C 0 0 0
- 3.0687 -0.2475 -0.0033 C 0 0 0
- 1.2706 -1.8958 0.0057 C 0 0 0
- -2.5643 2.0985 0.0039 C 0 0 0
- -3.0687 -0.2473 0.0003 C 0 0 0
- -1.2708 -1.8958 -0.0044 C 0 0 0
- 0.0001 3.9165 0.0030 O 0 0 0
- 3.4860 1.0931 -0.0058 C 0 0 0
- 4.0026 -1.2990 -0.0007 C 0 0 0
- 2.2039 -2.8863 0.0085 C 0 0 0
- -3.4859 1.0933 0.0041 C 0 0 0
- -4.0026 -1.2987 -0.0002 C 0 0 0
- -2.2042 -2.8862 -0.0052 C 0 0 0
- 3.5662 -2.5879 0.0047 C 0 0 0
- -3.5665 -2.5877 -0.0026 C 0 0 0
- 2.8889 3.0983 0.0000 H 0 0 0
- 0.2469 -2.1346 0.0000 H 0 0 0
- -2.8886 3.0984 0.0000 H 0 0 0
- -0.2471 -2.1347 0.0000 H 0 0 0
- 4.5118 1.3226 0.0000 H 0 0 0
- 5.0328 -1.0903 0.0000 H 0 0 0
- 1.8935 -3.8906 0.0000 H 0 0 0
- -4.5117 1.3229 0.0000 H 0 0 0
- -5.0328 -1.0898 0.0000 H 0 0 0
- -1.8939 -3.8905 0.0000 H 0 0 0
- 4.2672 -3.3712 0.0000 H 0 0 0
- -4.2676 -3.3709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 2 0
- 12 19 1 0
- 13 20 2 0
- 16 21 2 0
- 19 22 2 0
- 5 7 1 0
- 9 15 1 0
- 12 18 1 0
- 17 21 1 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84-88-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.4928 -0.4405 0.0055 C 0 0 0
- -1.8352 0.0119 0.0014 C 0 0 0
- 0.5554 0.4944 0.0027 C 0 0 0
- -0.2396 -1.8249 0.0064 C 0 0 0
- -2.0903 1.3995 -0.0049 C 0 0 0
- -2.8355 -0.8732 0.0032 N 0 0 0
- 0.2721 1.8263 -0.0039 C 0 0 0
- 2.2299 -0.0539 0.0083 S 0 0 0
- -1.3086 -2.6756 0.0033 C 0 0 0
- -1.0449 2.2783 -0.0070 C 0 0 0
- -3.3687 1.8589 -0.0094 O 0 0 0
- -2.6040 -2.1636 0.0086 C 0 0 0
- 3.1115 1.1746 -0.1647 O 0 0 0
- 2.4776 -0.5244 1.3261 O 0 0 0
- 2.3908 -0.8152 -1.1807 O 0 0 0
- 0.7290 -2.1882 0.0000 H 0 0 0
- 1.0465 2.5122 0.0000 H 0 0 0
- -1.1562 -3.6988 0.0000 H 0 0 0
- -1.2344 3.2953 0.0000 H 0 0 0
- -4.3422 2.2087 0.0000 H 0 0 0
- -3.4045 -2.8188 0.0000 H 0 0 0
- 3.7146 2.0151 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 8 14 2 0
- 8 15 2 0
- 7 10 1 0
- 9 12 2 0
- 4 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51-17-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.2164 0.7112 -0.0025 C 0 0 0
- 0.2266 -0.6938 -0.0004 C 0 0 0
- 1.5404 1.1019 -0.0014 N 0 0 0
- -0.9930 1.3931 0.0000 C 0 0 0
- 1.5285 -1.0797 0.0018 N 0 0 0
- -0.9850 -1.3901 -0.0006 C 0 0 0
- 2.2961 -0.0292 0.0013 C 0 0 0
- -2.1759 0.6853 0.0044 C 0 0 0
- -2.1652 -0.7024 -0.0027 C 0 0 0
- 1.8927 2.0747 0.0000 H 0 0 0
- -1.0064 2.4276 0.0000 H 0 0 0
- -0.9881 -2.4247 0.0000 H 0 0 0
- 3.3305 -0.0509 0.0000 H 0 0 0
- -3.0779 1.1921 0.0000 H 0 0 0
- -3.0602 -1.2214 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 5 7 2 0
- 8 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-30-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.5977 -0.1301 -0.0009 C 0 0 0
- 0.3431 0.7047 0.0008 C 0 0 0
- 2.8004 0.4660 0.0001 O 0 0 0
- 1.5211 -1.3359 0.0018 O 0 0 0
- -0.8806 -0.2138 -0.0009 C 0 0 0
- 4.0093 -0.3383 -0.0015 C 0 0 0
- -2.1544 0.6338 0.0008 C 0 0 0
- 5.2329 0.5801 0.0001 C 0 0 0
- -3.3780 -0.2847 -0.0009 C 0 0 0
- -4.6518 0.5628 0.0009 C 0 0 0
- -5.8755 -0.3557 -0.0008 C 0 0 0
- 1.0827 1.5820 0.0000 H 0 0 0
- -0.4450 1.5387 0.0000 H 0 0 0
- -1.6202 -1.0911 0.0000 H 0 0 0
- -0.0925 -1.0478 0.0000 H 0 0 0
- 3.2698 -1.2157 0.0000 H 0 0 0
- 4.7974 -1.1723 0.0000 H 0 0 0
- -1.4149 1.5111 0.0000 H 0 0 0
- -2.9426 1.4678 0.0000 H 0 0 0
- 5.9217 -0.3376 0.0000 H 0 0 0
- 6.1506 1.2689 0.0000 H 0 0 0
- 4.5441 1.4978 0.0000 H 0 0 0
- -4.1175 -1.1621 0.0000 H 0 0 0
- -2.5898 -1.1186 0.0000 H 0 0 0
- -3.9123 1.4402 0.0000 H 0 0 0
- -5.4399 1.3968 0.0000 H 0 0 0
- -6.5643 0.5620 0.0000 H 0 0 0
- -6.7932 -1.0445 0.0000 H 0 0 0
- -5.1867 -1.2734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 2 12 1 0
- 2 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-529-49-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.0541 0.8928 0.2272 C 0 0 0
- -1.0418 -0.5081 0.1297 C 0 0 0
- 0.0291 1.6254 0.5030 O 0 0 0
- -2.2707 1.5507 0.0440 C 0 0 0
- 0.2561 -1.2002 0.2511 C 0 0 0
- -2.2206 -1.2311 -0.0897 C 0 0 0
- 1.2212 1.0759 0.2465 C 0 0 0
- -3.4303 0.8356 -0.1965 C 0 0 0
- 1.4297 -0.3041 0.1228 C 0 0 0
- 0.3540 -2.3991 0.4404 O 0 0 0
- -3.4144 -0.5536 -0.2572 C 0 0 0
- -2.1917 -2.5867 -0.1382 O 0 0 0
- 2.3252 1.9222 0.0995 C 0 0 0
- -4.6003 1.4994 -0.3758 O 0 0 0
- 2.6987 -0.8249 -0.1163 C 0 0 0
- 3.5763 1.4061 -0.1436 C 0 0 0
- 3.7750 0.0333 -0.2488 C 0 0 0
- 5.0199 -0.4618 -0.4809 O 0 0 0
- -2.3000 2.5812 0.0000 H 0 0 0
- -4.3023 -1.0775 0.0000 H 0 0 0
- -2.1697 -3.6174 0.0000 H 0 0 0
- 2.1901 2.9443 0.0000 H 0 0 0
- -5.4970 2.0081 0.0000 H 0 0 0
- 2.8444 -1.8455 0.0000 H 0 0 0
- 4.3897 2.0395 0.0000 H 0 0 0
- 5.9779 -0.8428 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 15 17 2 0
- 17 18 1 0
- 7 9 2 0
- 8 11 1 0
- 16 17 1 0
- 4 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64091-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 2.4511 0.1961 0.0046 C 0 0 0
- 1.0240 0.5456 0.0869 C 0 0 0
- 3.4336 1.1968 0.0294 C 0 0 0
- 2.8519 -1.1400 -0.0938 C 0 0 0
- -0.0206 -0.5403 0.0592 C 0 0 0
- 0.6885 1.7074 0.1770 O 0 0 0
- 4.7604 0.8142 -0.0510 C 0 0 0
- 4.1287 -1.4512 -0.1673 N 0 0 0
- -1.4121 0.0880 0.1582 C 0 0 0
- 5.0734 -0.5297 -0.1521 C 0 0 0
- -2.4726 -1.0145 0.1301 C 0 0 0
- -3.8050 -0.4129 0.2249 N 0 0 0
- -4.4380 -0.0750 -0.8471 N 0 0 0
- -4.4186 -0.1951 1.5373 C 0 0 0
- -5.5457 0.4251 -0.7683 O 0 0 0
- 3.1704 2.1985 0.0000 H 0 0 0
- 2.1390 -1.8912 0.0000 H 0 0 0
- -0.5514 -1.4296 0.0000 H 0 0 0
- 0.8026 -1.1687 0.0000 H 0 0 0
- 5.5115 1.5273 0.0000 H 0 0 0
- -0.8813 0.9773 0.0000 H 0 0 0
- -2.2353 0.7164 0.0000 H 0 0 0
- 6.0674 -0.8204 0.0000 H 0 0 0
- -3.0033 -1.9038 0.0000 H 0 0 0
- -1.6494 -1.6429 0.0000 H 0 0 0
- -4.0722 0.7809 0.0000 H 0 0 0
- -5.3946 0.1513 0.0000 H 0 0 0
- -4.7650 -1.1711 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 2 0
- 8 10 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.7340 -0.3514 -0.0015 C 0 0 0
- -0.7340 -0.3514 -0.0010 C 0 0 0
- 1.4083 0.8894 -0.0006 C 0 0 0
- 1.4242 -1.4877 0.0027 N 0 0 0
- -1.4083 0.8895 0.0004 C 0 0 0
- -1.4242 -1.4877 -0.0014 N 0 0 0
- 0.6745 2.0971 0.0012 C 0 0 0
- 2.8132 0.8962 -0.0011 C 0 0 0
- 2.7381 -1.4899 0.0027 C 0 0 0
- -0.6745 2.0971 0.0008 C 0 0 0
- -2.8132 0.8963 0.0009 C 0 0 0
- -2.7381 -1.4899 -0.0005 C 0 0 0
- 3.4666 -0.3061 -0.0025 C 0 0 0
- -3.4666 -0.3061 0.0000 C 0 0 0
- 1.1856 3.0057 0.0000 H 0 0 0
- 3.3439 1.7935 0.0000 H 0 0 0
- 3.2459 -2.4004 0.0000 H 0 0 0
- -1.1856 3.0057 0.0000 H 0 0 0
- -3.3439 1.7936 0.0000 H 0 0 0
- -3.2459 -2.4004 0.0000 H 0 0 0
- 4.5087 -0.3342 0.0000 H 0 0 0
- -4.5087 -0.3342 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 7 10 2 0
- 9 13 1 0
- 12 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32828-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -2.3591 0.7346 0.0469 C 0 0 0
- -3.1800 -0.2448 0.6311 C 0 0 0
- -1.0879 0.4161 -0.4602 C 0 0 0
- -2.8253 2.0705 -0.0378 C 0 0 0
- -2.7065 -1.6723 0.7262 C 0 0 0
- -4.4052 0.1008 1.1115 C 0 0 0
- -0.5744 -0.9986 -0.3844 C 0 0 0
- -0.3214 1.3909 -1.0201 C 0 0 0
- -4.0985 2.3889 0.4650 C 0 0 0
- -2.0056 3.0503 -0.6233 C 0 0 0
- -1.7564 -1.9703 -0.4364 C 0 0 0
- -4.8612 1.4157 1.0335 C 0 0 0
- -0.7780 2.7055 -1.0989 C 0 0 0
- -1.2620 -3.3490 -0.3237 N 0 0 0
- -0.3611 -3.5689 -1.4630 C 0 0 0
- -0.4320 -3.4022 0.8872 C 0 0 0
- 11.2561 0.5050 0.3389 Cl 0 0 0
- -3.6711 -1.7810 0.0000 H 0 0 0
- -2.7994 -2.6385 0.0000 H 0 0 0
- -5.0711 -0.6055 0.0000 H 0 0 0
- -0.0467 -1.8133 0.0000 H 0 0 0
- 0.2947 -0.5664 0.0000 H 0 0 0
- 0.6359 1.2305 0.0000 H 0 0 0
- -4.4135 3.3070 0.0000 H 0 0 0
- -2.2926 3.9776 0.0000 H 0 0 0
- -2.4288 -2.6704 0.0000 H 0 0 0
- -5.8186 1.5756 0.0000 H 0 0 0
- -0.1127 3.4123 0.0000 H 0 0 0
- -0.5913 -4.5119 0.0000 H 0 0 0
- 0.5819 -3.7991 0.0000 H 0 0 0
- -0.1309 -2.6259 0.0000 H 0 0 0
- -0.4941 -4.3709 0.0000 H 0 0 0
- 0.5367 -3.4643 0.0000 H 0 0 0
- -0.3699 -2.4335 0.0000 H 0 0 0
- 12.2268 0.5050 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 11 14 1 0
- 14 15 1 0
- 14 16 1 0
- 7 11 1 0
- 9 12 2 0
- 10 13 2 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3351-30-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.5679 0.6909 0.0018 C 0 0 0
- -0.3194 -0.4021 0.0008 C 0 0 0
- 2.0069 0.4226 0.0012 C 0 0 0
- 0.0713 2.0063 -0.0023 C 0 0 0
- -1.7588 -0.1334 0.0009 C 0 0 0
- 0.1772 -1.7169 -0.0007 C 0 0 0
- 2.4495 -0.9209 -0.0002 C 0 0 0
- 2.9432 1.4603 0.0023 C 0 0 0
- -1.2574 2.2597 -0.0077 C 0 0 0
- -2.2011 1.2102 0.0022 C 0 0 0
- -2.6952 -1.1706 0.0002 C 0 0 0
- 1.5063 -1.9702 -0.0016 C 0 0 0
- 3.8277 -1.1866 -0.0011 C 0 0 0
- 4.2762 1.1676 0.0020 C 0 0 0
- -3.5787 1.4764 0.0022 C 0 0 0
- -4.0284 -0.8774 0.0007 C 0 0 0
- -2.2355 -2.6057 -0.0016 C 0 0 0
- 4.7154 -0.1523 -0.0004 C 0 0 0
- -4.4671 0.4422 0.0010 C 0 0 0
- 0.7486 2.8119 0.0000 H 0 0 0
- -0.5000 -2.5226 0.0000 H 0 0 0
- 2.6218 2.4625 0.0000 H 0 0 0
- -1.5935 3.2571 0.0000 H 0 0 0
- 1.8425 -2.9676 0.0000 H 0 0 0
- 4.1743 -2.1804 0.0000 H 0 0 0
- 4.9803 1.9499 0.0000 H 0 0 0
- -3.9248 2.4704 0.0000 H 0 0 0
- -4.7328 -1.6595 0.0000 H 0 0 0
- -3.2378 -2.9268 0.0000 H 0 0 0
- -1.9144 -3.6080 0.0000 H 0 0 0
- -1.2332 -2.2846 0.0000 H 0 0 0
- 5.7482 -0.3552 0.0000 H 0 0 0
- -5.4998 0.6455 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 2 0
- 11 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 1 0
- 7 12 2 0
- 9 10 1 0
- 14 18 1 0
- 16 19 2 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-759-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.2941 0.2139 0.2843 N 0 0 0
- -0.5859 -0.7745 0.0291 C 0 0 0
- 1.6291 -0.1077 0.7949 C 0 0 0
- -0.0372 1.4427 0.0739 N 0 0 0
- -1.6164 -0.9929 0.8698 N 0 0 0
- -0.4503 -1.4685 -0.9587 O 0 0 0
- 2.6119 -0.2061 -0.3736 C 0 0 0
- -1.1029 1.7042 -0.4547 O 0 0 0
- 1.0899 -0.7294 0.0000 H 0 0 0
- 1.9330 -0.8725 0.0000 H 0 0 0
- -2.1667 -0.3810 0.0000 H 0 0 0
- -1.8712 -1.7755 0.0000 H 0 0 0
- 2.5299 -1.0250 0.0000 H 0 0 0
- 3.4308 -0.2881 0.0000 H 0 0 0
- 2.6939 0.6128 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17309-86-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -4.0747 0.7575 -0.0019 C 0 0 0
- -4.5117 -0.5824 -0.0018 C 0 0 0
- -2.7075 1.0423 -0.0013 C 0 0 0
- -5.2801 1.5819 0.0033 C 0 0 0
- -3.5752 -1.6166 -0.0016 C 0 0 0
- -5.8808 -0.5495 -0.0020 N 0 0 0
- -1.7922 -0.0047 -0.0007 C 0 0 0
- -6.3077 0.7821 0.0060 N 0 0 0
- -2.2429 -1.3348 -0.0015 C 0 0 0
- -0.4519 0.2612 -0.0001 N 0 0 0
- 0.3982 -0.7091 0.0005 N 0 0 0
- 1.7370 -0.4435 0.0010 C 0 0 0
- 2.6603 -1.4942 0.0017 C 0 0 0
- 2.1893 0.8805 -0.0048 C 0 0 0
- 4.0099 -1.2222 0.0018 C 0 0 0
- 3.5401 1.1443 -0.0047 C 0 0 0
- 4.4559 0.0959 0.0012 C 0 0 0
- 5.8221 0.3670 0.0013 N 0 0 0
- 6.2937 1.7540 0.0008 C 0 0 0
- 6.7875 -0.7349 0.0020 C 0 0 0
- -2.3755 2.0325 0.0000 H 0 0 0
- -5.3122 2.6257 0.0000 H 0 0 0
- -3.8970 -2.6101 0.0000 H 0 0 0
- -6.5064 -1.3857 0.0000 H 0 0 0
- -1.5494 -2.1156 0.0000 H 0 0 0
- 2.3264 -2.4837 0.0000 H 0 0 0
- 1.5029 1.6675 0.0000 H 0 0 0
- 4.6999 -2.0062 0.0000 H 0 0 0
- 3.8785 2.1323 0.0000 H 0 0 0
- 7.2824 1.4178 0.0000 H 0 0 0
- 6.6299 2.7427 0.0000 H 0 0 0
- 5.3050 2.0902 0.0000 H 0 0 0
- 6.0020 -1.4231 0.0000 H 0 0 0
- 7.4757 -1.5204 0.0000 H 0 0 0
- 7.5730 -0.0467 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 6 8 1 0
- 7 9 1 0
- 16 17 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 9 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32588-76-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -3.9589 0.7053 -0.2784 C 0 0 0
- -3.9589 -0.7053 -0.2793 C 0 0 0
- -2.5475 1.1093 -0.4391 C 0 0 0
- -5.1533 1.3950 -0.1368 C 0 0 0
- -2.5475 -1.1091 -0.4404 C 0 0 0
- -5.1540 -1.3952 -0.1441 C 0 0 0
- -1.7913 0.0002 -0.5259 N 0 0 0
- -2.1380 2.2519 -0.4851 O 0 0 0
- -6.3422 0.6914 0.0033 C 0 0 0
- -5.1631 3.2860 -0.1339 Br 0 0 0
- -2.1379 -2.2517 -0.4874 O 0 0 0
- -6.3435 -0.6918 -0.0088 C 0 0 0
- -5.1637 -3.2862 -0.1435 Br 0 0 0
- -0.3358 0.0003 -0.6923 C 0 0 0
- -7.9722 1.6305 0.1965 Br 0 0 0
- -7.9744 -1.6311 0.1750 Br 0 0 0
- 0.3347 -0.0002 0.6830 C 0 0 0
- 1.7902 -0.0001 0.5166 N 0 0 0
- 2.5464 1.1092 0.4306 C 0 0 0
- 2.5471 -1.1093 0.4355 C 0 0 0
- 3.9579 0.7053 0.2700 C 0 0 0
- 2.1367 2.2517 0.4766 O 0 0 0
- 3.9583 -0.7052 0.2732 C 0 0 0
- 2.1383 -2.2519 0.4879 O 0 0 0
- 5.1529 1.3952 0.1345 C 0 0 0
- 5.1537 -1.3950 0.1403 C 0 0 0
- 6.3425 0.6918 -0.0004 C 0 0 0
- 5.1626 3.2862 0.1328 Br 0 0 0
- 6.3428 -0.6914 0.0019 C 0 0 0
- 5.1647 -3.2859 0.1483 Br 0 0 0
- 7.9732 1.6311 -0.1860 Br 0 0 0
- 7.9742 -1.6305 -0.1788 Br 0 0 0
- 0.1833 0.8985 0.0000 H 0 0 0
- -0.8543 0.8988 0.0000 H 0 0 0
- -0.1844 -0.8984 0.0000 H 0 0 0
- 0.8532 -0.8987 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 2 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 23 26 1 0
- 25 27 2 0
- 25 28 1 0
- 26 29 2 0
- 26 30 1 0
- 27 31 1 0
- 29 32 1 0
- 5 7 1 0
- 9 12 1 0
- 21 23 2 0
- 27 29 1 0
- 14 33 1 0
- 14 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2719-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -0.0035 -2.0575 -0.1836 C 0 0 0
- -1.2242 -1.1740 -0.2005 C 0 0 0
- 1.2269 -1.2104 0.0153 C 0 0 0
- -1.6767 -0.6454 -1.3952 C 0 0 0
- -1.8929 -0.8984 0.9784 C 0 0 0
- 1.6838 -0.9469 1.2933 C 0 0 0
- 1.8999 -0.7029 -1.0812 C 0 0 0
- -2.7956 0.1644 -1.4141 C 0 0 0
- -3.0121 -0.0896 0.9663 C 0 0 0
- 2.8116 -0.1711 1.4790 C 0 0 0
- 3.0280 0.0733 -0.9024 C 0 0 0
- -3.4661 0.4473 -0.2315 C 0 0 0
- 3.4865 0.3442 0.3804 C 0 0 0
- -4.5998 1.2673 -0.2473 N 0 0 0
- 4.6292 1.1304 0.5650 N 0 0 0
- -5.7987 0.7664 0.1108 C 0 0 0
- 5.7838 0.7945 -0.0437 C 0 0 0
- -7.0358 1.6196 -0.0016 C 0 0 0
- -5.8820 -0.3711 0.5235 O 0 0 0
- 6.9761 1.7121 0.0432 C 0 0 0
- 5.8633 -0.2463 -0.6613 O 0 0 0
- -0.6363 -2.7501 0.0000 H 0 0 0
- 0.6128 -2.7648 0.0000 H 0 0 0
- -1.0409 0.0445 0.0000 H 0 0 0
- -2.3495 -1.7179 0.0000 H 0 0 0
- 2.1844 -1.7404 0.0000 H 0 0 0
- 1.3514 0.0583 0.0000 H 0 0 0
- -2.3353 0.9819 0.0000 H 0 0 0
- -3.6498 -0.7778 0.0000 H 0 0 0
- 3.3623 -0.9306 0.0000 H 0 0 0
- 2.5232 0.8641 0.0000 H 0 0 0
- -4.4919 2.1993 0.0000 H 0 0 0
- 4.4799 2.0566 0.0000 H 0 0 0
- -6.5032 2.3919 0.0000 H 0 0 0
- -7.8081 2.1522 0.0000 H 0 0 0
- -7.5684 0.8473 0.0000 H 0 0 0
- 7.5483 0.9686 0.0000 H 0 0 0
- 7.7196 2.2843 0.0000 H 0 0 0
- 6.4039 2.4556 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 16 2 0
- 20 17 1 0
- 21 17 2 0
- 9 12 1 0
- 11 13 1 0
- 1 22 1 0
- 1 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 14 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-620-22-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.7810 0.0781 0.0032 C 0 0 0
- 0.2025 -0.9128 0.0024 C 0 0 0
- -0.4074 1.4237 0.0014 C 0 0 0
- -2.1665 -0.2837 0.0000 C 0 0 0
- 1.5356 -0.5572 -0.0002 C 0 0 0
- 0.9290 1.7651 -0.0013 C 0 0 0
- -3.2656 -0.5707 -0.0026 N 0 0 0
- 1.8986 0.7778 -0.0016 C 0 0 0
- 2.5986 -1.6253 -0.0010 C 0 0 0
- -0.0686 -1.9146 0.0000 H 0 0 0
- -1.1336 2.1651 0.0000 H 0 0 0
- 1.2080 2.7647 0.0000 H 0 0 0
- 2.9028 1.0400 0.0000 H 0 0 0
- 1.8630 -2.3574 0.0000 H 0 0 0
- 3.3307 -2.3609 0.0000 H 0 0 0
- 3.3342 -0.8932 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 3 0
- 5 8 2 0
- 5 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-530-50-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.2093 -0.3544 -0.0029 C 0 0 0
- -0.0001 -1.0538 -0.0087 N 0 0 0
- 1.8135 -0.0186 1.2020 C 0 0 0
- 1.8135 0.0019 -1.2024 C 0 0 0
- -1.2105 -0.3562 -0.0029 C 0 0 0
- 0.0009 -2.4198 -0.0201 N 0 0 0
- 3.0091 0.6729 1.2041 C 0 0 0
- 3.0087 0.6932 -1.1929 C 0 0 0
- -1.8121 -0.0159 1.2021 C 0 0 0
- -1.8125 0.0039 -1.2023 C 0 0 0
- 3.6046 1.0309 0.0087 C 0 0 0
- -3.0085 0.6742 1.2042 C 0 0 0
- -3.0086 0.6938 -1.1928 C 0 0 0
- -3.6074 1.0264 0.0087 C 0 0 0
- 2.0730 -0.4763 0.0000 H 0 0 0
- 1.5482 0.4562 0.0000 H 0 0 0
- -0.4545 -2.6832 0.0000 H 0 0 0
- 0.4567 -2.6825 0.0000 H 0 0 0
- 3.2763 0.2197 0.0000 H 0 0 0
- 2.7473 1.1498 0.0000 H 0 0 0
- -2.0731 -0.4727 0.0000 H 0 0 0
- -1.5460 0.4575 0.0000 H 0 0 0
- 4.0589 1.2962 0.0000 H 0 0 0
- -3.2733 0.2196 0.0000 H 0 0 0
- -2.7494 1.1516 0.0000 H 0 0 0
- -4.0641 1.2875 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 2 0
- 12 14 2 0
- 8 11 1 0
- 13 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1030-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 2.3379 1.0138 -0.0039 C 0 0 0
- 1.0208 0.4918 -0.0036 C 0 0 0
- 2.5154 2.2184 -0.0005 O 0 0 0
- 3.4975 0.0952 -0.0020 C 0 0 0
- -0.0401 1.3322 0.0003 C 0 0 0
- 4.7964 0.6062 -0.0022 C 0 0 0
- 3.2975 -1.2865 0.0058 C 0 0 0
- -1.4047 0.7914 0.0006 C 0 0 0
- 5.8735 -0.2560 -0.0005 C 0 0 0
- 4.3830 -2.1374 0.0074 C 0 0 0
- -2.5044 1.6594 0.0046 C 0 0 0
- -1.6114 -0.5946 -0.0091 C 0 0 0
- 5.6683 -1.6242 0.0014 C 0 0 0
- -3.7726 1.1517 0.0049 C 0 0 0
- -2.8828 -1.0932 -0.0087 C 0 0 0
- -3.9732 -0.2264 0.0011 C 0 0 0
- -5.2659 -0.7387 0.0014 N 0 0 0
- -5.4795 -2.1880 -0.0026 C 0 0 0
- -6.4143 0.1710 0.0056 C 0 0 0
- 0.8685 -0.5416 0.0000 H 0 0 0
- 0.1122 2.3656 0.0000 H 0 0 0
- 4.9526 1.6390 0.0000 H 0 0 0
- 2.3279 -1.6750 0.0000 H 0 0 0
- 6.8461 0.1251 0.0000 H 0 0 0
- 4.2347 -3.1714 0.0000 H 0 0 0
- -2.3548 2.6932 0.0000 H 0 0 0
- -0.7943 -1.2454 0.0000 H 0 0 0
- 6.4871 -2.2728 0.0000 H 0 0 0
- -4.5931 1.7981 0.0000 H 0 0 0
- -3.0378 -2.1262 0.0000 H 0 0 0
- -6.5129 -2.0357 0.0000 H 0 0 0
- -5.6318 -3.2214 0.0000 H 0 0 0
- -4.4461 -2.3403 0.0000 H 0 0 0
- -5.7657 0.9898 0.0000 H 0 0 0
- -7.2331 0.8196 0.0000 H 0 0 0
- -7.0629 -0.6478 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 16 1 0
- 18 17 1 0
- 19 17 1 0
- 10 13 1 0
- 15 16 1 0
- 2 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13394-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.3113 -0.1883 0.1097 C 0 0 0
- -0.1661 -0.1051 0.2141 C 0 0 0
- 2.0504 0.9335 -0.2604 C 0 0 0
- 1.9657 -1.3872 0.3870 C 0 0 0
- -0.9612 -0.3867 -0.8955 C 0 0 0
- -0.7616 0.2493 1.4240 C 0 0 0
- 3.4250 0.8505 -0.3555 C 0 0 0
- 1.3504 2.2347 -0.5567 C 0 0 0
- 3.3403 -1.4587 0.2887 C 0 0 0
- -2.3342 -0.3093 -0.7962 C 0 0 0
- -2.1345 0.3256 1.5191 C 0 0 0
- 4.0686 -0.3432 -0.0843 C 0 0 0
- -2.9256 0.0494 0.4095 C 0 0 0
- -3.1942 -0.6132 -1.9958 C 0 0 0
- -4.3156 0.1276 0.5078 N 0 0 0
- 1.4221 -2.2512 0.0000 H 0 0 0
- -0.8167 -1.3972 0.0000 H 0 0 0
- -0.4637 1.2256 0.0000 H 0 0 0
- 3.9744 1.7108 0.0000 H 0 0 0
- 2.2493 2.7183 0.0000 H 0 0 0
- 0.8668 3.1336 0.0000 H 0 0 0
- 0.4515 1.7511 0.0000 H 0 0 0
- 3.8028 -2.3687 0.0000 H 0 0 0
- -2.2771 1.3363 0.0000 H 0 0 0
- 5.0885 -0.3860 0.0000 H 0 0 0
- -3.5343 0.3492 0.0000 H 0 0 0
- -4.1566 -0.9533 0.0000 H 0 0 0
- -2.8541 -1.5756 0.0000 H 0 0 0
- -4.7755 1.0389 0.0000 H 0 0 0
- -4.8748 -0.7263 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 10 13 2 0
- 10 14 1 0
- 13 15 1 0
- 9 12 1 0
- 11 13 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-9003-39-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.4104 0.0489 0.0388 N 0 0 0
- -0.7145 -0.6869 0.0288 C 0 0 0
- 0.1097 1.4811 0.1493 C 0 0 0
- 1.6958 -0.4801 -0.0397 C 0 0 0
- -1.9261 0.2137 0.1256 C 0 0 0
- -0.7525 -1.8968 -0.0474 O 0 0 0
- -1.3831 1.6188 -0.2236 C 0 0 0
- 2.7419 0.3233 -0.0226 C 0 0 0
- 1.1736 1.5957 0.0000 H 0 0 0
- 0.1015 2.5511 0.0000 H 0 0 0
- 1.8369 -1.5408 0.0000 H 0 0 0
- -2.8854 0.6877 0.0000 H 0 0 0
- -2.4845 -0.6991 0.0000 H 0 0 0
- -1.1871 2.6707 0.0000 H 0 0 0
- -2.4125 1.9109 0.0000 H 0 0 0
- 3.7307 -0.0858 0.0000 H 0 0 0
- 2.6018 1.3841 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 7 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148193-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 1.1545 -0.0897 0.0289 C 0 0 0
- -0.1551 0.3477 0.0917 C 0 0 0
- 2.2424 0.8081 -0.0664 C 0 0 0
- 1.9608 -1.6687 0.0423 S 0 0 0
- -1.1746 -0.5468 0.1833 O 0 0 0
- -0.4171 1.7067 0.0607 C 0 0 0
- 3.4925 0.1639 -0.1185 C 0 0 0
- 1.9291 2.1882 -0.0955 C 0 0 0
- 3.5801 -1.1315 -0.0781 N 0 0 0
- -2.3856 0.2105 0.2291 C 0 0 0
- 0.6378 2.6066 -0.0328 C 0 0 0
- -3.5788 -0.7415 0.3330 C 0 0 0
- -4.8754 0.0694 0.3821 C 0 0 0
- -4.4212 -0.5759 -0.8093 O 0 0 0
- -1.4055 2.0530 0.0000 H 0 0 0
- 4.3678 0.7390 0.0000 H 0 0 0
- 2.7023 2.8947 0.0000 H 0 0 0
- -1.7338 1.0303 0.0000 H 0 0 0
- -3.1268 0.9504 0.0000 H 0 0 0
- 0.4334 3.6338 0.0000 H 0 0 0
- -3.3302 -1.7589 0.0000 H 0 0 0
- -4.7001 1.1020 0.0000 H 0 0 0
- -5.8969 -0.1618 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 1 0
- 12 13 1 0
- 12 14 1 0
- 7 9 2 0
- 8 11 2 0
- 13 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-29761-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 59 1 V2000
- -1.8345 -0.9672 0.2237 P 0 0 0
- -3.0075 -2.0678 0.2914 O 0 0 0
- -2.0327 0.1021 1.4109 O 0 0 0
- -0.4070 -1.6934 0.3883 O 0 0 0
- -1.8861 -0.2707 -1.0812 O 0 0 0
- -4.1597 -1.4357 -0.0550 C 0 0 0
- -2.1151 1.3265 0.8270 C 0 0 0
- 0.5905 -0.7193 0.0752 C 0 0 0
- -4.4615 -1.2250 -1.3923 C 0 0 0
- -5.0388 -1.0051 0.9284 C 0 0 0
- -3.2971 1.7301 0.2227 C 0 0 0
- -1.0195 2.1772 0.8392 C 0 0 0
- 1.9785 -1.3482 0.2129 C 0 0 0
- -5.6335 -0.5822 -1.7419 C 0 0 0
- -6.2091 -0.3629 0.5738 C 0 0 0
- -3.3783 2.9750 -0.3701 C 0 0 0
- -1.1059 3.4215 0.2449 C 0 0 0
- 3.0465 -0.3052 -0.1224 C 0 0 0
- -6.5050 -0.1490 -0.7600 C 0 0 0
- -2.2829 3.8189 -0.3616 C 0 0 0
- 4.4344 -0.9342 0.0154 C 0 0 0
- 5.5025 0.1088 -0.3199 C 0 0 0
- 6.8904 -0.5201 -0.1822 C 0 0 0
- 7.9585 0.5229 -0.5174 C 0 0 0
- 9.3464 -0.1061 -0.3797 C 0 0 0
- 10.4145 0.9369 -0.7149 C 0 0 0
- 9.5444 -0.5953 1.0564 C 0 0 0
- 1.1136 0.1351 0.0000 H 0 0 0
- -0.1927 -0.0946 0.0000 H 0 0 0
- -3.9331 -0.3738 0.0000 H 0 0 0
- -5.5003 -1.8944 0.0000 H 0 0 0
- -4.0926 1.1210 0.0000 H 0 0 0
- -0.1050 1.7681 0.0000 H 0 0 0
- 1.4554 -2.2026 0.0000 H 0 0 0
- 2.7617 -1.9729 0.0000 H 0 0 0
- -5.1695 0.3058 0.0000 H 0 0 0
- -6.7446 -1.2096 0.0000 H 0 0 0
- -4.2912 3.3877 0.0000 H 0 0 0
- -0.3128 4.0336 0.0000 H 0 0 0
- 3.5697 0.5492 0.0000 H 0 0 0
- 2.2633 0.3196 0.0000 H 0 0 0
- -7.3624 0.3692 0.0000 H 0 0 0
- -2.4479 4.8071 0.0000 H 0 0 0
- 3.9112 -1.7886 0.0000 H 0 0 0
- 5.2176 -1.5590 0.0000 H 0 0 0
- 6.0256 0.9632 0.0000 H 0 0 0
- 4.7193 0.7336 0.0000 H 0 0 0
- 6.3673 -1.3745 0.0000 H 0 0 0
- 7.6736 -1.1449 0.0000 H 0 0 0
- 8.4817 1.3773 0.0000 H 0 0 0
- 7.1753 1.1477 0.0000 H 0 0 0
- 8.6236 -0.7999 0.0000 H 0 0 0
- 11.1145 0.2201 0.0000 H 0 0 0
- 11.1313 1.6368 0.0000 H 0 0 0
- 9.7146 1.6537 0.0000 H 0 0 0
- 8.6157 -0.9712 0.0000 H 0 0 0
- 9.9203 -1.5240 0.0000 H 0 0 0
- 10.4731 -0.2194 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 2 0
- 16 20 1 0
- 18 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 1 0
- 15 19 1 0
- 17 20 2 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 26 55 1 0
- 27 56 1 0
- 27 57 1 0
- 27 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16169-16-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.0094 -0.0285 0.0037 C 0 0 0
- -0.4467 -1.2920 0.0033 C 0 0 0
- -0.1998 1.0923 0.0025 C 0 0 0
- -2.4816 0.1241 -0.0006 N 0 3 0
- 0.9264 -1.4379 0.0016 C 0 0 0
- 1.1745 0.9535 0.0008 C 0 0 0
- -2.9786 1.2360 -0.0002 O 0 0 0
- -3.1961 -0.8624 -0.0046 O 0 5 0
- 1.7429 -0.3138 0.0003 C 0 0 0
- 3.1321 -0.4578 -0.0014 N 0 0 0
- 3.9628 0.6890 -0.0026 O 0 0 0
- -1.0569 -2.1309 0.0000 H 0 0 0
- -0.6250 2.0385 0.0000 H 0 0 0
- 1.3478 -2.3858 0.0000 H 0 0 0
- 1.7814 1.7948 0.0000 H 0 0 0
- 3.5554 -1.4049 0.0000 H 0 0 0
- 4.5713 1.5291 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25917-90-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.9795 0.1554 0.0129 C 0 0 0
- -0.3607 -1.0841 -0.0731 C 0 0 0
- -0.2176 1.3062 0.0930 C 0 0 0
- -2.4569 0.2455 0.0128 N 0 3 0
- 1.0255 -1.1701 -0.0793 C 0 0 0
- -1.1342 -2.2481 -0.1541 N 0 0 0
- 1.1663 1.2245 0.0875 C 0 0 0
- -3.0247 0.9371 -0.8136 O 0 0 0
- -3.1047 -0.3718 0.8390 O 0 5 0
- 1.7897 -0.0185 0.0008 C 0 0 0
- 1.9387 2.3928 0.1683 N 0 0 0
- 3.1472 -0.1005 -0.0047 O 0 0 0
- 3.4768 -1.4876 -0.1010 C 0 0 0
- -0.6825 2.2362 0.0000 H 0 0 0
- 1.4885 -2.1011 0.0000 H 0 0 0
- -2.1719 -2.1827 0.0000 H 0 0 0
- -0.6720 -3.1794 0.0000 H 0 0 0
- 2.9765 2.3299 0.0000 H 0 0 0
- 1.4743 3.3230 0.0000 H 0 0 0
- 2.4652 -1.7280 0.0000 H 0 0 0
- 3.7172 -2.4992 0.0000 H 0 0 0
- 4.4884 -1.2472 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 12 13 1 0
- 7 10 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 11 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 1.9623 0.0000 -0.0006 C 0 0 0
- 0.4553 -0.0001 -0.0009 C 0 0 0
- 2.4722 1.4425 -0.0039 C 0 0 0
- 2.4720 -0.7183 1.2505 C 0 0 0
- 2.4725 -0.7243 -1.2480 C 0 0 0
- -0.2358 -1.1970 0.0018 C 0 0 0
- -0.2361 1.1973 0.0018 C 0 0 0
- -1.6184 -1.1971 0.0015 C 0 0 0
- -1.6182 1.1973 0.0014 C 0 0 0
- -2.3094 -0.0001 -0.0016 C 0 0 0
- -3.8164 -0.0001 -0.0020 C 0 0 0
- 3.4499 1.0969 0.0000 H 0 0 0
- 2.8178 2.4202 0.0000 H 0 0 0
- 1.4945 1.7881 0.0000 H 0 0 0
- 1.6263 -1.3184 0.0000 H 0 0 0
- 3.0721 -1.5640 0.0000 H 0 0 0
- 3.3177 -0.1182 0.0000 H 0 0 0
- 1.6248 -1.3214 0.0000 H 0 0 0
- 3.0696 -1.5720 0.0000 H 0 0 0
- 3.3202 -0.1272 0.0000 H 0 0 0
- 0.2827 -2.0950 0.0000 H 0 0 0
- 0.2823 2.0953 0.0000 H 0 0 0
- -2.1369 -2.0951 0.0000 H 0 0 0
- -2.1367 2.0953 0.0000 H 0 0 0
- -3.8164 1.0368 0.0000 H 0 0 0
- -4.8533 -0.0001 0.0000 H 0 0 0
- -3.8164 -1.0370 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 9 10 1 0
- 3 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-47165-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -1.9418 0.2705 0.0616 C 0 0 0
- -1.8327 -1.0969 -0.2617 C 0 0 0
- -0.6605 0.7666 0.1809 N 0 0 0
- -3.1974 0.8438 0.2008 C 0 0 0
- -0.4494 -1.3932 -0.3299 C 0 0 0
- -2.9901 -1.8662 -0.4459 C 0 0 0
- 0.2333 -0.2519 -0.0589 C 0 0 0
- -4.3353 0.0638 0.0198 C 0 0 0
- -4.2177 -1.2924 -0.3122 C 0 0 0
- 1.7048 -0.1231 -0.0273 C 0 0 0
- -5.6754 0.6717 0.1678 C 0 0 0
- 2.4835 -1.1416 0.5272 C 0 0 0
- 2.3181 1.0150 -0.5573 C 0 0 0
- -6.8049 -0.0980 -0.0108 N 0 0 0
- -5.7884 1.9352 0.4671 N 0 0 0
- 3.8545 -1.0211 0.5565 C 0 0 0
- 3.6887 1.1347 -0.5276 C 0 0 0
- 4.4666 0.1188 0.0320 C 0 0 0
- 5.9401 0.2479 0.0637 C 0 0 0
- 6.5446 1.3732 -0.4540 N 0 0 0
- 6.6664 -0.7023 0.5810 N 0 0 0
- -0.4163 1.7622 0.0000 H 0 0 0
- -3.2858 1.8651 0.0000 H 0 0 0
- -0.0404 -2.3332 0.0000 H 0 0 0
- -2.9136 -2.8885 0.0000 H 0 0 0
- -5.0579 -1.8797 0.0000 H 0 0 0
- 2.0700 -2.0796 0.0000 H 0 0 0
- 1.7547 1.8714 0.0000 H 0 0 0
- -7.7284 0.3470 0.0000 H 0 0 0
- -6.7285 -1.1203 0.0000 H 0 0 0
- -5.8797 2.9562 0.0000 H 0 0 0
- 4.4187 -1.8770 0.0000 H 0 0 0
- 4.1021 2.0728 0.0000 H 0 0 0
- 7.5692 1.4046 0.0000 H 0 0 0
- 6.0051 2.2449 0.0000 H 0 0 0
- 7.2889 -1.5167 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 5 7 2 0
- 8 9 1 0
- 17 18 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 9 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3475-63-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.5296 -0.5604 0.1503 C 0 0 0
- -0.7844 -0.3393 -0.0521 N 0 0 0
- 1.4278 0.4002 -0.1443 N 0 0 0
- 0.9041 -1.6243 0.6033 O 0 0 0
- -1.3462 0.8124 0.3656 C 0 0 0
- -1.6022 -1.3509 -0.7261 C 0 0 0
- 1.7142 0.7313 -1.5423 C 0 0 0
- 2.1178 1.1133 0.9335 C 0 0 0
- -2.5281 1.0113 0.1835 O 0 0 0
- -0.7894 1.5573 0.0000 H 0 0 0
- -2.3254 -0.7662 0.0000 H 0 0 0
- -2.1869 -2.0741 0.0000 H 0 0 0
- -0.8790 -1.9356 0.0000 H 0 0 0
- 2.4176 0.1229 0.0000 H 0 0 0
- 2.3226 1.4347 0.0000 H 0 0 0
- 1.0108 1.3397 0.0000 H 0 0 0
- 2.7861 0.4666 0.0000 H 0 0 0
- 2.7645 1.7816 0.0000 H 0 0 0
- 1.4495 1.7600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14129-84-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0439 -0.3330 -0.0383 C 0 0 0
- -1.2660 0.4109 0.0052 C 0 0 0
- 1.2021 0.3454 -0.0193 C 0 0 0
- 0.0530 -1.7447 -0.0931 C 0 0 0
- -2.2762 -0.0679 -1.4094 Cl 0 0 0
- -2.1372 0.0053 1.5307 Cl 0 0 0
- 2.7075 -0.5104 0.1034 Cl 0 0 0
- 1.1945 2.0786 -0.1176 Cl 0 0 0
- 1.1082 -2.3441 -0.1281 O 0 0 0
- -1.2243 1.4428 0.0000 H 0 0 0
- -0.8379 -2.2671 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 2 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4376-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- -2.0292 0.6611 0.4714 C 0 0 0
- -3.1392 -0.0620 -0.0057 C 0 0 0
- -0.7698 -0.0403 0.7995 C 0 0 0
- -2.1231 2.0413 0.6270 C 0 0 0
- -4.3188 0.6112 -0.3107 C 0 0 0
- -3.0521 -1.5273 -0.1823 C 0 0 0
- 0.3528 0.2313 0.1062 O 0 0 0
- -0.7472 -0.8614 1.6941 O 0 0 0
- -3.3012 2.6936 0.3135 C 0 0 0
- -4.3953 1.9817 -0.1444 C 0 0 0
- -4.0696 -2.1982 -0.7559 O 0 0 0
- -2.0632 -2.1261 0.1899 O 0 0 0
- 1.5897 -0.4576 0.4283 C 0 0 0
- 2.7026 0.0314 -0.5007 C 0 0 0
- 4.0060 -0.6945 -0.1612 C 0 0 0
- 2.3197 -0.2604 -1.9529 C 0 0 0
- 5.0582 0.3255 0.2787 C 0 0 0
- 2.3065 1.0459 -2.7492 C 0 0 0
- 6.3948 -0.3846 0.5022 C 0 0 0
- 7.4469 0.6354 0.9421 C 0 0 0
- -1.2673 2.5857 0.0000 H 0 0 0
- -5.1814 0.0776 0.0000 H 0 0 0
- -3.3373 3.7073 0.0000 H 0 0 0
- -5.3000 2.4402 0.0000 H 0 0 0
- -4.9164 -2.7565 0.0000 H 0 0 0
- 0.9176 -1.2172 0.0000 H 0 0 0
- 2.1874 -1.2771 0.0000 H 0 0 0
- 2.7503 1.0446 0.0000 H 0 0 0
- 3.4285 -1.5283 0.0000 H 0 0 0
- 4.7796 -1.3505 0.0000 H 0 0 0
- 1.3307 -0.4855 0.0000 H 0 0 0
- 2.7494 -1.1792 0.0000 H 0 0 0
- 5.6247 1.1669 0.0000 H 0 0 0
- 4.2803 0.9764 0.0000 H 0 0 0
- 3.3208 1.0561 0.0000 H 0 0 0
- 2.2963 2.0602 0.0000 H 0 0 0
- 1.2922 1.0357 0.0000 H 0 0 0
- 5.8283 -1.2260 0.0000 H 0 0 0
- 7.1727 -1.0355 0.0000 H 0 0 0
- 8.1529 -0.0928 0.0000 H 0 0 0
- 8.1751 1.3414 0.0000 H 0 0 0
- 6.7409 1.3636 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 9 10 2 0
- 4 21 1 0
- 5 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.0002 -1.0001 0.0000 C 0 0 0
- -1.2009 -0.3048 -0.0002 C 0 0 0
- 1.2009 -0.3046 0.0002 C 0 0 0
- -1.1973 1.0852 -0.0002 C 0 0 0
- -2.4118 -1.0007 0.0002 N 0 0 0
- 1.1974 1.0849 0.0001 C 0 0 0
- 2.4118 -1.0007 -0.0001 N 0 0 0
- -0.0001 1.7742 0.0000 C 0 0 0
- -0.0002 -2.0416 0.0000 H 0 0 0
- -2.0983 1.6078 0.0000 H 0 0 0
- -3.3128 -0.4781 0.0000 H 0 0 0
- -2.4139 -2.0422 0.0000 H 0 0 0
- 2.0984 1.6074 0.0000 H 0 0 0
- 2.4137 -2.0422 0.0000 H 0 0 0
- 3.3128 -0.4782 0.0000 H 0 0 0
- -0.0001 2.8157 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 1 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51787-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.7846 0.0342 0.0030 C 0 0 0
- 0.4259 -1.3387 -0.0002 C 0 0 0
- 2.2123 0.3911 0.0026 C 0 0 0
- -0.1329 0.9886 0.0008 N 0 0 0
- -0.9201 -1.7076 -0.0001 C 0 0 0
- 1.4645 -2.3664 -0.0041 C 0 0 0
- 3.1830 -0.6317 -0.0009 C 0 0 0
- 2.6154 1.7282 0.0051 C 0 0 0
- -1.4328 0.7064 -0.0042 C 0 0 0
- -1.8793 -0.6894 0.0033 C 0 0 0
- -1.3277 -3.1584 -0.0030 C 0 0 0
- 2.7697 -2.0321 -0.0044 C 0 0 0
- 4.5417 -0.2888 -0.0013 C 0 0 0
- 3.9575 2.0339 0.0042 C 0 0 0
- -2.4070 1.7235 -0.0070 C 0 0 0
- -3.2586 -0.9671 0.0041 C 0 0 0
- 4.9121 1.0247 0.0017 C 0 0 0
- -3.7248 1.3905 -0.0125 C 0 0 0
- -1.9909 3.1720 -0.0033 C 0 0 0
- -4.1471 0.0624 0.0079 C 0 0 0
- -5.6234 -0.2401 0.0082 C 0 0 0
- 1.1898 -3.3799 0.0000 H 0 0 0
- 1.8989 2.4958 0.0000 H 0 0 0
- -2.3386 -2.8744 0.0000 H 0 0 0
- -1.6117 -4.1693 0.0000 H 0 0 0
- -0.3168 -3.4424 0.0000 H 0 0 0
- 3.4986 -2.7879 0.0000 H 0 0 0
- 5.2739 -1.0415 0.0000 H 0 0 0
- 4.2624 3.0387 0.0000 H 0 0 0
- -3.5989 -1.9605 0.0000 H 0 0 0
- 5.9317 1.2757 0.0000 H 0 0 0
- -4.4446 2.1551 0.0000 H 0 0 0
- -0.9817 2.8821 0.0000 H 0 0 0
- -1.7010 4.1812 0.0000 H 0 0 0
- -3.0001 3.4619 0.0000 H 0 0 0
- -5.8342 0.7886 0.0000 H 0 0 0
- -6.6521 -0.4509 0.0000 H 0 0 0
- -5.4126 -1.2688 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 20 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 20 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57470-78-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 60 1 V2000
- 0.2642 0.6258 0.2517 C 0 0 0
- -0.8575 1.4700 0.2291 C 0 0 0
- 0.0943 -0.7423 0.4022 C 0 0 0
- 1.5102 1.1463 0.1211 O 0 0 0
- -2.1390 0.9214 0.3590 C 0 0 0
- -0.6875 2.9194 0.0708 C 0 0 0
- -1.1726 -1.2743 0.5295 C 0 0 0
- 2.4245 0.0498 0.1831 C 0 0 0
- -2.2899 -0.4448 0.5082 C 0 0 0
- -1.8945 3.8215 0.0471 C 0 0 0
- 0.4244 3.3910 -0.0411 O 0 0 0
- 3.8561 0.5709 0.0413 C 0 0 0
- -3.5720 -0.9961 0.6388 N 0 0 0
- 4.8350 -0.6031 0.1077 C 0 0 0
- 3.9977 1.2387 -1.2141 O 0 0 0
- -4.5230 -0.7142 -0.2737 C 0 0 0
- 6.2094 -0.1029 -0.0285 N 0 0 0
- -5.7980 -1.0935 -0.0575 N 0 0 0
- -4.2306 -0.1176 -1.2921 O 0 0 0
- 7.0938 -1.2736 0.0433 C 0 0 0
- -6.6495 -0.3179 0.8479 C 0 0 0
- -6.3326 -2.2815 -0.7278 C 0 0 0
- 8.5494 -0.8223 -0.0926 C 0 0 0
- 6.9012 -1.9766 1.3885 C 0 0 0
- 6.7519 -2.2414 -1.0914 C 0 0 0
- -7.2870 0.8418 0.0800 C 0 0 0
- -5.5174 -3.5092 -0.3165 C 0 0 0
- 0.9184 -1.3667 0.0000 H 0 0 0
- -2.9695 1.5373 0.0000 H 0 0 0
- -1.2969 -2.3008 0.0000 H 0 0 0
- 1.5595 -0.5166 0.0000 H 0 0 0
- 2.8876 -0.8746 0.0000 H 0 0 0
- -1.2755 4.6497 0.0000 H 0 0 0
- -2.7227 4.4405 0.0000 H 0 0 0
- -2.5135 2.9933 0.0000 H 0 0 0
- 4.8597 0.8197 0.0000 H 0 0 0
- -3.5111 -2.0283 0.0000 H 0 0 0
- 3.9700 -1.1695 0.0000 H 0 0 0
- 5.2981 -1.5276 0.0000 H 0 0 0
- 4.2122 2.2502 0.0000 H 0 0 0
- 6.5025 0.8887 0.0000 H 0 0 0
- -7.6794 -0.4096 0.0000 H 0 0 0
- -6.9796 -1.2977 0.0000 H 0 0 0
- -7.1800 -1.6891 0.0000 H 0 0 0
- -7.0724 -3.0038 0.0000 H 0 0 0
- 8.8556 -1.8099 0.0000 H 0 0 0
- 9.5370 -0.5161 0.0000 H 0 0 0
- 8.2432 0.1653 0.0000 H 0 0 0
- 5.9040 -1.7034 0.0000 H 0 0 0
- 6.6280 -2.9738 0.0000 H 0 0 0
- 7.8984 -2.2498 0.0000 H 0 0 0
- 5.7770 -1.8970 0.0000 H 0 0 0
- 6.4075 -3.2163 0.0000 H 0 0 0
- 7.7268 -2.5858 0.0000 H 0 0 0
- -6.3809 1.3399 0.0000 H 0 0 0
- -7.7851 1.7479 0.0000 H 0 0 0
- -8.1931 0.3437 0.0000 H 0 0 0
- -6.3788 -4.0811 0.0000 H 0 0 0
- -4.9455 -4.3706 0.0000 H 0 0 0
- -4.6560 -2.9373 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 1 0
- 20 25 1 0
- 21 26 1 0
- 22 27 1 0
- 7 9 1 0
- 3 28 1 0
- 5 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 10 33 1 0
- 10 34 1 0
- 10 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 17 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 26 55 1 0
- 26 56 1 0
- 26 57 1 0
- 27 58 1 0
- 27 59 1 0
- 27 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91575-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.3892 0.8501 1.3566 C 0 0 0
- -0.9308 1.4183 1.8101 C 0 0 0
- 1.2270 1.6054 0.5569 C 0 0 0
- 0.7624 -0.4233 1.7458 C 0 0 0
- -1.9978 1.0761 0.8023 C 0 0 0
- 2.4386 1.0871 0.1397 C 0 0 0
- 1.9717 -0.9473 1.3326 C 0 0 0
- -2.7197 -0.0959 0.9332 C 0 0 0
- -2.2565 1.9378 -0.2480 C 0 0 0
- 2.8136 -0.1942 0.5251 C 0 0 0
- 3.4905 2.0358 -0.8638 Cl 0 0 0
- -3.6992 -0.4123 0.0109 C 0 0 0
- -3.2338 1.6279 -1.1733 C 0 0 0
- 4.0396 -0.7226 0.1043 N 0 0 0
- -3.9577 0.4492 -1.0486 C 0 0 0
- -4.6050 -1.8842 0.1753 Cl 0 0 0
- 4.0786 -1.9091 -0.5338 C 0 0 0
- -4.9473 0.1328 -1.9833 N 0 0 0
- 5.4049 -2.5403 -0.8708 C 0 0 0
- 3.0461 -2.4689 -0.8368 O 0 0 0
- -0.3008 2.1798 0.0000 H 0 0 0
- -1.4848 2.2368 0.0000 H 0 0 0
- 1.0649 2.5804 0.0000 H 0 0 0
- 0.0216 -1.0776 0.0000 H 0 0 0
- 2.1296 -1.9230 0.0000 H 0 0 0
- -2.1094 -0.8733 0.0000 H 0 0 0
- -1.7948 2.8117 0.0000 H 0 0 0
- -3.8425 2.4065 0.0000 H 0 0 0
- 4.8562 -0.1659 0.0000 H 0 0 0
- -5.6787 0.7976 0.0000 H 0 0 0
- -5.1573 -0.8330 0.0000 H 0 0 0
- 4.9802 -3.4327 0.0000 H 0 0 0
- 6.2973 -2.9650 0.0000 H 0 0 0
- 5.8296 -1.6479 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 12 15 2 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 17 19 1 0
- 17 20 2 0
- 7 10 1 0
- 13 15 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 4 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 13 28 1 0
- 14 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2437-56-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- 0.0211 -0.4730 -0.0271 C 0 0 0
- -1.2093 0.4342 -0.0906 C 0 0 0
- 1.2878 0.3765 -0.1482 C 0 0 0
- -2.4760 -0.4153 0.0305 C 0 0 0
- 2.5182 -0.5307 -0.0846 C 0 0 0
- -3.7064 0.4919 -0.0330 C 0 0 0
- 3.7850 0.3187 -0.2058 C 0 0 0
- -4.9731 -0.3576 0.0881 C 0 0 0
- 5.0154 -0.5884 -0.1422 C 0 0 0
- -6.2035 0.5496 0.0245 C 0 0 0
- 6.2631 0.2483 -0.2615 C 0 0 0
- -7.4703 -0.2999 0.1457 C 0 0 0
- 7.1481 0.2460 0.7043 C 0 0 0
- -0.7588 -1.3098 0.0000 H 0 0 0
- 0.7630 -1.3437 0.0000 H 0 0 0
- -0.4294 1.2710 0.0000 H 0 0 0
- -1.9512 1.3049 0.0000 H 0 0 0
- 2.0677 1.2133 0.0000 H 0 0 0
- 0.5459 1.2472 0.0000 H 0 0 0
- -3.2559 -1.2521 0.0000 H 0 0 0
- -1.7341 -1.2860 0.0000 H 0 0 0
- 1.7382 -1.3675 0.0000 H 0 0 0
- 3.2600 -1.4015 0.0000 H 0 0 0
- -2.9265 1.3287 0.0000 H 0 0 0
- -4.4483 1.3626 0.0000 H 0 0 0
- 4.5649 1.1555 0.0000 H 0 0 0
- 3.0432 1.1895 0.0000 H 0 0 0
- -5.7530 -1.1944 0.0000 H 0 0 0
- -4.2312 -1.2283 0.0000 H 0 0 0
- 4.2355 -1.4252 0.0000 H 0 0 0
- 5.7573 -1.4591 0.0000 H 0 0 0
- -5.4235 1.3864 0.0000 H 0 0 0
- -6.9454 1.4204 0.0000 H 0 0 0
- 5.9315 1.3431 0.0000 H 0 0 0
- -8.1074 0.6502 0.0000 H 0 0 0
- -8.4204 -0.9370 0.0000 H 0 0 0
- -6.8332 -1.2500 0.0000 H 0 0 0
- 7.7175 -0.7462 0.0000 H 0 0 0
- 7.7226 1.2352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 1 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-08-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.9580 0.4091 -0.5041 C 0 0 0
- 0.6345 0.1471 -0.8731 N 0 0 0
- 2.9679 -0.4747 -0.8610 C 0 0 0
- 2.2659 1.5568 0.2153 C 0 0 0
- -0.0436 -0.8570 -0.2828 C 0 0 0
- 4.2739 -0.2128 -0.4955 C 0 0 0
- 3.5735 1.8127 0.5776 C 0 0 0
- -1.2901 -1.1620 -0.6946 N 0 0 0
- 0.6786 -1.7452 0.9903 S 0 0 0
- 4.5763 0.9278 0.2251 C 0 0 0
- -2.3680 -0.3530 -0.3200 C 0 0 0
- -3.3951 -0.1016 -1.2201 C 0 0 0
- -2.4160 0.1960 0.9550 C 0 0 0
- -4.4580 0.6977 -0.8470 C 0 0 0
- -3.4815 0.9943 1.3217 C 0 0 0
- -4.5000 1.2473 0.4210 C 0 0 0
- 0.1021 0.9489 0.0000 H 0 0 0
- 2.7200 -1.4047 0.0000 H 0 0 0
- 1.6092 2.2604 0.0000 H 0 0 0
- 4.9333 -0.9139 0.0000 H 0 0 0
- 3.8255 2.7416 0.0000 H 0 0 0
- -1.4831 -2.1049 0.0000 H 0 0 0
- 5.4974 1.2070 0.0000 H 0 0 0
- -3.8071 -0.9714 0.0000 H 0 0 0
- -1.5749 0.6637 0.0000 H 0 0 0
- -5.3021 0.2353 0.0000 H 0 0 0
- -3.0687 1.8637 0.0000 H 0 0 0
- -5.1214 1.9823 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 15 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60516-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.9368 1.0692 -0.1011 C 0 0 0
- -0.2531 1.7971 0.0070 N 0 0 0
- 1.4233 0.7153 -1.3529 C 0 0 0
- 1.6350 0.7051 1.0436 C 0 0 0
- -1.4806 1.1306 0.0232 C 0 0 0
- 2.5976 -0.0031 -1.4593 C 0 0 0
- 2.8088 -0.0131 0.9367 C 0 0 0
- -2.6661 1.8544 0.0058 C 0 0 0
- -1.5186 -0.2582 0.0511 C 0 0 0
- 3.2921 -0.3718 -0.3150 C 0 0 0
- -3.8780 1.1921 0.0220 C 0 0 0
- -2.7337 -0.9138 0.0671 C 0 0 0
- 4.4836 -1.1013 -0.4232 N 0 0 0
- -3.9122 -0.1898 0.0555 C 0 0 0
- 5.6106 -0.6407 0.1548 C 0 0 0
- -5.2129 -0.8961 0.0732 N 0 3 0
- 6.8573 -1.4874 0.1556 C 0 0 0
- 5.6215 0.4553 0.6744 O 0 0 0
- -5.2446 -2.1133 0.1026 O 0 0 0
- -6.2515 -0.2600 0.0583 O 0 5 0
- -0.2264 2.8323 0.0000 H 0 0 0
- 0.8481 -0.1457 0.0000 H 0 0 0
- 2.1449 1.6064 0.0000 H 0 0 0
- 2.0844 -0.9025 0.0000 H 0 0 0
- 3.3882 0.8452 0.0000 H 0 0 0
- -2.6413 2.8896 0.0000 H 0 0 0
- -0.6367 -0.8009 0.0000 H 0 0 0
- -4.7620 1.7313 0.0000 H 0 0 0
- -2.7628 -1.9489 0.0000 H 0 0 0
- 4.4001 -2.1334 0.0000 H 0 0 0
- 6.2755 -2.3440 0.0000 H 0 0 0
- 7.7139 -2.0692 0.0000 H 0 0 0
- 7.4391 -0.6308 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 2 0
- 16 20 1 0
- 7 10 1 0
- 12 14 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19881-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.5012 1.3927 0.0471 C 0 0 0
- 0.4309 2.2280 0.0587 O 0 0 0
- 2.0182 0.9411 -1.1598 C 0 0 0
- 2.0848 0.9929 1.2423 C 0 0 0
- -0.8177 1.7235 0.0210 C 0 0 0
- 3.1071 0.0913 -1.1683 C 0 0 0
- 3.1732 0.1433 1.2273 C 0 0 0
- -1.9069 2.6028 -0.0975 C 0 0 0
- -0.9951 0.3323 0.0953 C 0 0 0
- 3.6824 -0.3095 0.0236 C 0 0 0
- -3.1753 2.1349 -0.1391 C 0 0 0
- -2.2329 -0.2125 0.0602 C 0 0 0
- 4.8489 -1.2206 0.0110 N 0 3 0
- -3.4053 0.6780 -0.0581 C 0 0 0
- 5.3565 -1.5745 1.0600 O 0 0 0
- 5.3746 -1.6807 -1.2207 O 0 5 0
- -4.6157 0.1889 -0.0947 N 0 0 0
- -4.7930 -1.0465 -0.0250 C 0 0 0
- -5.0133 -2.5819 0.0616 S 0 0 0
- 1.3724 0.1592 0.0000 H 0 0 0
- 2.6837 1.8113 0.0000 H 0 0 0
- 2.5051 -0.7248 0.0000 H 0 0 0
- 3.8225 0.9223 0.0000 H 0 0 0
- -1.7424 3.6035 0.0000 H 0 0 0
- -0.1826 -0.2746 0.0000 H 0 0 0
- -3.9594 2.7781 0.0000 H 0 0 0
- -2.3518 -1.2196 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 2 0
- 18 19 2 0
- 7 10 1 0
- 12 14 2 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3077-12-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.3728 0.0197 -0.0039 N 0 0 0
- 2.1179 -0.9815 -0.7711 C 0 0 0
- 2.0924 1.0441 0.7570 C 0 0 0
- -0.0238 0.0010 -0.0025 C 0 0 0
- 2.2423 -2.2655 0.0516 C 0 0 0
- 2.1395 2.3415 -0.0526 C 0 0 0
- -0.7262 0.3856 -1.1373 C 0 0 0
- -0.7135 -0.4078 1.1322 C 0 0 0
- 1.0302 -3.0155 -0.0499 O 0 0 0
- 0.8911 3.0258 0.0713 O 0 0 0
- -2.1073 0.3655 -1.1327 C 0 0 0
- -2.0942 -0.4255 1.1300 C 0 0 0
- -2.7906 -0.0369 -0.0001 C 0 0 0
- -4.2975 -0.0570 0.0014 C 0 0 0
- 3.0593 -1.2178 0.0000 H 0 0 0
- 2.6567 -0.1742 0.0000 H 0 0 0
- 2.6618 0.2580 0.0000 H 0 0 0
- 3.0210 1.3266 0.0000 H 0 0 0
- 2.6217 -3.1589 0.0000 H 0 0 0
- 3.1829 -2.0262 0.0000 H 0 0 0
- 3.0924 2.1569 0.0000 H 0 0 0
- 2.4690 3.2545 0.0000 H 0 0 0
- -0.4925 1.3276 0.0000 H 0 0 0
- -0.4509 -1.3422 0.0000 H 0 0 0
- 0.2048 -3.5262 0.0000 H 0 0 0
- 0.0400 3.4923 0.0000 H 0 0 0
- -2.3694 1.3001 0.0000 H 0 0 0
- -2.3325 -1.3664 0.0000 H 0 0 0
- -4.3104 0.9135 0.0000 H 0 0 0
- -5.2680 -0.0699 0.0000 H 0 0 0
- -4.2846 -1.0275 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 1 0
- 11 7 1 0
- 12 8 2 0
- 13 11 2 0
- 14 13 1 0
- 12 13 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83053-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.4498 -0.1261 0.0024 C 0 0 0
- -0.3025 -1.3215 0.0006 C 0 0 0
- 1.9118 -0.2131 0.0017 C 0 0 0
- -0.2091 1.1122 -0.0011 C 0 0 0
- -1.7025 -1.2638 0.0004 C 0 0 0
- 0.3909 -2.6059 -0.0015 C 0 0 0
- 2.5261 -1.4854 -0.0005 C 0 0 0
- 2.7043 0.9386 0.0028 C 0 0 0
- -1.5826 1.1560 -0.0064 C 0 0 0
- 0.5089 2.2655 0.0013 O 0 0 0
- -2.3433 -0.0329 0.0021 C 0 0 0
- -2.7273 -2.3730 -0.0014 C 0 0 0
- 1.7386 -2.6602 -0.0020 C 0 0 0
- 3.9269 -1.5665 -0.0012 C 0 0 0
- 4.0647 0.8251 0.0017 C 0 0 0
- -0.4342 3.3391 -0.0032 C 0 0 0
- -3.8061 -0.2086 0.0015 C 0 0 0
- -4.1012 -1.6888 -0.0007 C 0 0 0
- 4.6728 -0.4249 0.0003 C 0 0 0
- 0.3130 4.6742 -0.0009 C 0 0 0
- -4.6298 0.6813 0.0026 O 0 0 0
- -0.1680 -3.5013 0.0000 H 0 0 0
- 2.2524 1.8924 0.0000 H 0 0 0
- -2.0745 2.0898 0.0000 H 0 0 0
- -3.2850 -3.2691 0.0000 H 0 0 0
- -1.8879 -3.0128 0.0000 H 0 0 0
- 2.2166 -3.6012 0.0000 H 0 0 0
- 4.4022 -2.5089 0.0000 H 0 0 0
- 4.6612 1.6958 0.0000 H 0 0 0
- -1.2911 3.9554 0.0000 H 0 0 0
- -1.1434 2.5574 0.0000 H 0 0 0
- -5.1140 -1.3918 0.0000 H 0 0 0
- -4.4864 -2.6715 0.0000 H 0 0 0
- 5.7262 -0.4913 0.0000 H 0 0 0
- 1.2340 4.1587 0.0000 H 0 0 0
- 0.8285 5.5952 0.0000 H 0 0 0
- -0.6080 5.1897 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 1 0
- 17 21 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 17 18 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97136-66-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 1.9304 0.3025 -0.0014 C 0 0 0
- 0.4732 0.5226 -0.0014 C 0 0 0
- 2.8052 1.3925 -0.0014 C 0 0 0
- 2.4441 -0.9969 0.0045 C 0 0 0
- -0.3645 -0.5271 -0.0014 C 0 0 0
- 4.1675 1.1788 -0.0014 C 0 0 0
- 3.8091 -1.1951 0.0044 C 0 0 0
- -1.8211 -0.3071 -0.0014 C 0 0 0
- 4.6691 -0.1112 -0.0014 C 0 0 0
- -2.6947 -1.3984 -0.0013 C 0 0 0
- -2.3334 0.9940 0.0044 C 0 0 0
- 6.1592 -0.3363 -0.0020 C 0 0 0
- -4.0561 -1.1886 -0.0014 C 0 0 0
- -3.6957 1.1956 0.0043 C 0 0 0
- -4.5619 0.1070 -0.0015 C 0 0 0
- -5.9411 0.3153 -0.0015 N 0 0 0
- 0.0923 1.4940 0.0000 H 0 0 0
- 2.4284 2.3655 0.0000 H 0 0 0
- 1.7968 -1.8152 0.0000 H 0 0 0
- 0.0164 -1.4985 0.0000 H 0 0 0
- 4.8218 1.9916 0.0000 H 0 0 0
- 4.1941 -2.1648 0.0000 H 0 0 0
- -2.3160 -2.3706 0.0000 H 0 0 0
- -1.6844 1.8110 0.0000 H 0 0 0
- 6.0034 -1.3680 0.0000 H 0 0 0
- 7.1909 -0.4921 0.0000 H 0 0 0
- 6.3150 0.6954 0.0000 H 0 0 0
- -4.7087 -2.0027 0.0000 H 0 0 0
- -4.0787 2.1661 0.0000 H 0 0 0
- -6.3220 1.2867 0.0000 H 0 0 0
- -6.5919 -0.5003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 15 16 1 0
- 7 9 2 0
- 14 15 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120812-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- 0.1046 -0.9391 -0.0142 C 0 0 0
- -0.9415 -0.0010 -0.0007 C 0 0 0
- 1.4397 -0.4883 -0.0069 C 0 0 0
- -0.1931 -2.3205 -0.0289 C 0 0 0
- -0.6379 1.3752 0.0174 C 0 0 0
- -2.2823 -0.4464 -0.0065 C 0 0 0
- 1.7231 0.9083 0.0145 C 0 0 0
- 2.4696 -1.4337 -0.0206 C 0 0 0
- -1.5458 -2.7397 -0.0303 C 0 0 0
- 0.8636 -3.2342 -0.0421 C 0 0 0
- 0.7200 1.8081 0.0200 C 0 0 0
- -1.6891 2.2964 0.0321 C 0 0 0
- -3.3054 0.5053 0.0083 C 0 0 0
- -2.5527 -1.8363 -0.0280 C 0 0 0
- 3.1765 1.3084 0.0375 C 0 0 0
- 2.1696 -2.7821 -0.0410 C 0 0 0
- 3.8821 -0.9897 -0.0139 N 0 3 0
- 0.9602 3.2965 0.0213 C 0 0 0
- -2.9976 1.8520 0.0277 C 0 0 0
- -4.7205 0.0700 0.0029 N 0 3 0
- 3.3471 2.7667 -0.3792 C 0 0 0
- 4.4614 -0.7856 -1.0657 O 0 0 0
- 4.4648 -0.8286 1.0435 O 0 5 0
- 2.3862 3.6181 0.4602 C 0 0 0
- -5.5162 0.5949 -0.7554 O 0 0 0
- -5.0890 -0.8130 0.7566 O 0 5 0
- -1.7705 -3.7666 0.0000 H 0 0 0
- 0.6652 -4.2665 0.0000 H 0 0 0
- -1.4843 3.3274 0.0000 H 0 0 0
- -3.5493 -2.1706 0.0000 H 0 0 0
- 3.3235 0.2675 0.0000 H 0 0 0
- 4.2276 1.3209 0.0000 H 0 0 0
- 2.9542 -3.4817 0.0000 H 0 0 0
- 0.8610 4.3430 0.0000 H 0 0 0
- -0.0904 3.3309 0.0000 H 0 0 0
- -3.7781 2.5562 0.0000 H 0 0 0
- 4.3451 2.4367 0.0000 H 0 0 0
- 3.8714 3.6778 0.0000 H 0 0 0
- 3.2307 4.2440 0.0000 H 0 0 0
- 1.9482 4.5737 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 18 24 1 0
- 20 25 2 0
- 20 26 1 0
- 7 11 2 0
- 9 14 2 0
- 10 16 1 0
- 13 19 2 0
- 21 24 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 24 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-623-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.1424 0.3307 0.1178 C 0 0 0
- -0.2872 0.7548 0.3352 C 0 0 0
- 2.0565 0.9924 -0.6145 C 0 0 0
- 1.7217 -0.7688 0.6270 O 0 0 0
- -1.1792 -0.2744 -0.1683 O 0 0 0
- 3.2545 0.2446 -0.5471 C 0 0 0
- 3.0020 -0.8272 0.2254 C 0 0 0
- -2.5087 -0.1120 -0.0806 C 0 0 0
- -3.4345 -1.1801 -0.6031 C 0 0 0
- -2.9633 0.8907 0.4172 O 0 0 0
- 0.1228 1.6481 0.0000 H 0 0 0
- -1.1135 1.2870 0.0000 H 0 0 0
- 2.0228 1.9747 0.0000 H 0 0 0
- 4.1633 0.6189 0.0000 H 0 0 0
- 3.5944 -1.6115 0.0000 H 0 0 0
- -4.1772 -0.5363 0.0000 H 0 0 0
- -4.0783 -1.9228 0.0000 H 0 0 0
- -2.6918 -1.8239 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 6 7 2 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13360-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 44 1 V2000
- 0.0336 -0.4111 0.1054 C 0 0 0
- -1.2290 0.4467 -0.0002 C 0 0 0
- 1.2687 0.4898 0.0437 C 0 0 0
- -2.4641 -0.4542 0.0615 C 0 0 0
- 2.5313 -0.3679 0.1493 C 0 0 0
- -3.7267 0.4035 -0.0440 C 0 0 0
- 3.7664 0.5329 0.0876 C 0 0 0
- -4.9619 -0.4973 0.0177 C 0 0 0
- 5.0290 -0.3248 0.1932 C 0 0 0
- -6.2244 0.3604 -0.0879 C 0 0 0
- 6.2641 0.5760 0.1315 C 0 0 0
- -7.4596 -0.5405 -0.0262 C 0 0 0
- 7.5077 -0.2688 0.2355 C 0 0 0
- -8.7221 0.3173 -0.1318 C 0 0 0
- 8.3872 -0.2620 -0.7353 C 0 0 0
- -0.7138 -1.2782 0.0000 H 0 0 0
- 0.8096 -1.2528 0.0000 H 0 0 0
- -0.4816 1.3138 0.0000 H 0 0 0
- -2.0050 1.2884 0.0000 H 0 0 0
- 2.0161 1.3570 0.0000 H 0 0 0
- 0.4927 1.3315 0.0000 H 0 0 0
- -3.2115 -1.3214 0.0000 H 0 0 0
- -1.6881 -1.2959 0.0000 H 0 0 0
- 1.7839 -1.2351 0.0000 H 0 0 0
- 3.3073 -1.2096 0.0000 H 0 0 0
- -2.9793 1.2707 0.0000 H 0 0 0
- -4.5026 1.2452 0.0000 H 0 0 0
- 4.5138 1.4001 0.0000 H 0 0 0
- 2.9904 1.3746 0.0000 H 0 0 0
- -5.7093 -1.3644 0.0000 H 0 0 0
- -4.1860 -1.3390 0.0000 H 0 0 0
- 4.2816 -1.1920 0.0000 H 0 0 0
- 5.8050 -1.1665 0.0000 H 0 0 0
- -5.4770 1.2275 0.0000 H 0 0 0
- -7.0004 1.2021 0.0000 H 0 0 0
- 7.0115 1.4432 0.0000 H 0 0 0
- 5.4881 1.4177 0.0000 H 0 0 0
- -8.2070 -1.4076 0.0000 H 0 0 0
- -6.6837 -1.3822 0.0000 H 0 0 0
- 7.1754 -1.3643 0.0000 H 0 0 0
- -8.0787 1.2642 0.0000 H 0 0 0
- -9.6690 0.9607 0.0000 H 0 0 0
- -9.3655 -0.6296 0.0000 H 0 0 0
- 8.9672 -1.2490 0.0000 H 0 0 0
- 8.9519 0.7338 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 13 11 1 0
- 14 12 1 0
- 15 13 2 0
- 1 16 1 0
- 1 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 10 34 1 0
- 10 35 1 0
- 11 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 14 43 1 0
- 15 44 1 0
- 15 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-91-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.9644 -0.3572 -0.0032 C 0 0 0
- -0.3157 -0.8803 0.0299 C 0 0 0
- 1.1514 1.0140 -0.0486 C 0 0 0
- 2.1347 -1.2633 0.0160 N 0 3 0
- -1.4112 -0.0377 0.0178 C 0 0 0
- 0.0474 1.8643 -0.0608 C 0 0 0
- 2.4095 1.5297 -0.0807 O 0 0 0
- 2.1368 -2.2700 -0.6696 O 0 0 0
- 3.0956 -1.0022 0.7175 O 0 5 0
- -1.2331 1.3327 -0.0274 C 0 0 0
- -2.7785 -0.6038 0.0529 N 0 3 0
- 0.2304 3.2512 -0.1061 N 0 0 0
- -3.7449 0.1375 0.0423 O 0 0 0
- -2.9371 -1.8107 0.0923 O 0 5 0
- -0.4541 -1.9079 0.0000 H 0 0 0
- 3.3689 1.9230 0.0000 H 0 0 0
- -2.0565 1.9629 0.0000 H 0 0 0
- 1.1884 3.6477 0.0000 H 0 0 0
- -0.5920 3.8826 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 7 16 1 0
- 10 17 1 0
- 12 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-99-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.1754 0.7808 0.0575 C 0 0 0
- 0.5429 -0.5754 -0.0291 C 0 0 0
- 1.1647 1.7594 0.1078 C 0 0 0
- -1.2521 1.1640 0.0887 C 0 0 0
- 1.8911 -0.9217 -0.0634 C 0 0 0
- -0.4963 -1.6256 -0.0827 C 0 0 0
- 2.4980 1.3966 0.0726 C 0 0 0
- -1.7915 1.8372 -0.9459 O 0 0 0
- -1.9385 0.8718 1.0471 O 0 0 0
- 2.8592 0.0637 -0.0125 C 0 0 0
- -0.1435 -2.9250 -0.0424 O 0 0 0
- -1.6682 -1.3167 -0.1632 O 0 0 0
- 0.9012 2.7615 0.0000 H 0 0 0
- 2.1689 -1.9200 0.0000 H 0 0 0
- 3.2311 2.1289 0.0000 H 0 0 0
- -2.4394 2.6458 0.0000 H 0 0 0
- 3.8616 -0.1986 0.0000 H 0 0 0
- 0.1280 -3.9250 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.9379 0.7402 0.0117 C 0 0 0
- -0.9373 -0.7407 -0.0091 C 0 0 0
- 0.2877 1.4458 -0.0695 C 0 0 0
- -2.1279 1.4134 0.1684 C 0 0 0
- 0.2884 -1.4454 0.0765 C 0 0 0
- -2.1261 -1.4145 -0.1718 C 0 0 0
- 1.5619 0.7028 -0.0413 C 0 0 0
- 0.2895 2.6612 -0.1625 O 0 0 0
- -3.4065 0.6506 0.3904 C 0 0 0
- -2.1487 2.7730 0.1229 N 0 0 0
- 1.5623 -0.7022 0.0425 C 0 0 0
- 0.2906 -2.6601 0.1782 O 0 0 0
- -3.4035 -0.6520 -0.4021 C 0 0 0
- -2.1471 -2.7739 -0.1238 N 0 0 0
- 2.7745 1.3900 -0.0976 C 0 0 0
- 2.7753 -1.3892 0.0928 C 0 0 0
- 3.9637 0.6915 -0.0546 C 0 0 0
- 3.9641 -0.6907 0.0439 C 0 0 0
- -3.7726 1.6251 0.0000 H 0 0 0
- -4.4305 0.4634 0.0000 H 0 0 0
- -1.2552 3.3072 0.0000 H 0 0 0
- -3.0581 3.2796 0.0000 H 0 0 0
- -4.4281 -0.4678 0.0000 H 0 0 0
- -3.7683 -1.6270 0.0000 H 0 0 0
- -3.0566 -3.2804 0.0000 H 0 0 0
- -1.2537 -3.3083 0.0000 H 0 0 0
- 2.7826 2.4310 0.0000 H 0 0 0
- 2.7836 -2.4302 0.0000 H 0 0 0
- 4.8671 1.2088 0.0000 H 0 0 0
- 4.8677 -1.2076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 11 16 2 0
- 15 17 1 0
- 16 18 1 0
- 7 11 1 0
- 9 13 1 0
- 17 18 2 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1192-62-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.0206 0.0354 -0.0013 C 0 0 0
- -1.3922 0.0038 -0.0004 C 0 0 0
- 0.8093 1.1687 -0.0001 C 0 0 0
- 0.8407 -1.0372 0.0024 O 0 0 0
- -2.1163 -1.3178 -0.0020 C 0 0 0
- -2.0228 1.0416 0.0016 O 0 0 0
- 2.1395 0.7283 -0.0016 C 0 0 0
- 2.1138 -0.6243 0.0001 C 0 0 0
- 0.4853 2.1413 0.0000 H 0 0 0
- -3.0153 -0.8252 0.0000 H 0 0 0
- -2.6089 -2.2168 0.0000 H 0 0 0
- -1.2173 -1.8104 0.0000 H 0 0 0
- 2.9762 1.3206 0.0000 H 0 0 0
- 2.9372 -1.2349 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 7 8 2 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-684-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.2211 -0.2579 -0.0012 N 0 0 0
- -1.0672 0.1380 -0.0003 C 0 0 0
- 1.1658 0.6204 0.0000 N 0 0 0
- 0.5486 -1.6859 0.0026 C 0 0 0
- -1.3685 1.4516 0.0018 N 0 0 0
- -1.9569 -0.6893 -0.0014 O 0 0 0
- 2.3301 0.2626 -0.0008 O 0 0 0
- -0.4155 -1.9070 0.0000 H 0 0 0
- 0.7697 -2.6500 0.0000 H 0 0 0
- 1.5127 -1.4648 0.0000 H 0 0 0
- -0.6442 2.1251 0.0000 H 0 0 0
- -2.3140 1.7421 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-202-98-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.3363 -0.2437 -0.0003 C 0 0 0
- -1.7528 -0.0583 -0.0009 C 0 0 0
- 0.5236 0.8498 0.0017 C 0 0 0
- -0.0081 -1.5963 0.0039 C 0 0 0
- -2.4186 -1.2698 -0.0041 C 0 0 0
- -2.3111 1.2236 0.0016 C 0 0 0
- 1.9421 0.5049 -0.0002 C 0 0 0
- -0.0569 2.1285 0.0052 C 0 0 0
- -1.3369 -2.3282 0.0053 C 0 0 0
- 1.3075 -1.9015 0.0049 C 0 0 0
- -3.7764 -1.1842 -0.0060 C 0 0 0
- -1.4141 2.3114 0.0046 C 0 0 0
- -3.7115 1.2613 -0.0003 C 0 0 0
- 2.2878 -0.8737 -0.0002 C 0 0 0
- 2.9437 1.4756 -0.0033 C 0 0 0
- -4.3916 0.0711 -0.0045 C 0 0 0
- 3.6506 -1.2205 -0.0002 C 0 0 0
- 4.2553 1.0983 -0.0048 C 0 0 0
- 4.6036 -0.2484 -0.0026 C 0 0 0
- 0.5686 2.9699 0.0000 H 0 0 0
- -2.1397 -3.0026 0.0000 H 0 0 0
- -0.7440 -3.1929 0.0000 H 0 0 0
- 1.6079 -2.9060 0.0000 H 0 0 0
- -4.3589 -2.0560 0.0000 H 0 0 0
- -1.7968 3.2875 0.0000 H 0 0 0
- -4.2255 2.1751 0.0000 H 0 0 0
- 2.6896 2.4928 0.0000 H 0 0 0
- -5.4395 0.1044 0.0000 H 0 0 0
- 3.9334 -2.2301 0.0000 H 0 0 0
- 5.0066 1.8296 0.0000 H 0 0 0
- 5.6165 -0.5191 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 11 16 1 0
- 14 17 1 0
- 15 18 2 0
- 17 19 2 0
- 5 9 1 0
- 8 12 2 0
- 10 14 1 0
- 13 16 2 0
- 18 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-04-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.0999 0.4418 -0.3583 C 0 0 0
- -0.5463 -0.8104 -0.5922 C 0 0 0
- -0.2835 1.4983 0.0226 C 0 0 0
- -2.4766 0.6395 -0.5120 N 0 0 0
- 0.8135 -1.0009 -0.4452 C 0 0 0
- 1.0759 1.3012 0.1679 C 0 0 0
- -3.3483 -0.1402 0.1579 C 0 0 0
- 1.6239 0.0535 -0.0656 C 0 0 0
- -4.8271 -0.0139 -0.1034 C 0 0 0
- -2.9425 -0.9436 0.9709 O 0 0 0
- 3.0811 -0.1542 0.0910 N 0 3 0
- 3.7960 0.7735 0.4252 O 0 0 0
- 3.5652 -1.2528 -0.1144 O 0 5 0
- -1.1623 -1.6260 0.0000 H 0 0 0
- -0.6668 2.4457 0.0000 H 0 0 0
- -2.7723 1.6178 0.0000 H 0 0 0
- 1.2003 -1.9469 0.0000 H 0 0 0
- 1.6948 2.1146 0.0000 H 0 0 0
- -4.7401 1.0044 0.0000 H 0 0 0
- -5.8454 0.0731 0.0000 H 0 0 0
- -4.9141 -1.0322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 8 2 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71400-34-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.1777 0.1326 -0.0060 C 0 0 0
- -1.1777 -1.2588 -0.0032 C 0 0 0
- 0.0000 0.8131 -0.0054 O 0 0 0
- -2.3785 0.8227 -0.0038 C 0 0 0
- 0.0000 -1.9393 0.0003 O 0 0 0
- -2.3785 -1.9489 -0.0033 C 0 0 0
- 1.1777 0.1327 -0.0019 C 0 0 0
- -3.5747 0.1279 0.0014 C 0 0 0
- 1.1777 -1.2588 0.0009 C 0 0 0
- -3.5747 -1.2542 -0.0064 C 0 0 0
- 2.3785 0.8227 -0.0017 C 0 0 0
- -4.8576 0.8664 0.0038 N 0 3 0
- 2.3785 -1.9488 0.0040 C 0 0 0
- 3.5747 0.1279 0.0014 C 0 0 0
- -5.9116 0.2561 0.0083 O 0 0 0
- -4.8591 2.0844 0.0013 O 0 5 0
- 3.5746 -1.2541 0.0042 C 0 0 0
- 4.8576 0.8664 0.0011 N 0 3 0
- 5.9116 0.2560 0.0038 O 0 0 0
- 4.8592 2.0844 -0.0018 O 0 5 0
- -2.3809 1.8601 0.0000 H 0 0 0
- -2.3809 -2.9863 0.0000 H 0 0 0
- -4.4738 -1.7718 0.0000 H 0 0 0
- 2.3809 1.8601 0.0000 H 0 0 0
- 2.3809 -2.9862 0.0000 H 0 0 0
- 4.4737 -1.7717 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 4 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56602-33-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 1.6729 0.1209 -0.0203 P 0 3 0
- 0.3367 1.0002 -0.2034 O 0 0 0
- 1.8486 -0.3020 1.5992 N 0 0 0
- 1.5591 -1.2739 -0.9552 N 0 0 0
- 3.0077 1.0195 -0.5135 N 0 0 0
- -0.7585 0.1111 -0.0802 N 0 0 0
- 0.8919 0.5169 2.3556 C 0 0 0
- 1.4011 -1.6958 1.7225 C 0 0 0
- 0.8877 -0.8911 -2.2045 C 0 0 0
- 2.9318 -1.6552 -1.3133 C 0 0 0
- 2.5238 2.3795 -0.7857 C 0 0 0
- 3.9043 1.1147 0.6463 C 0 0 0
- -2.0925 0.4423 -0.0937 C 0 0 0
- -0.6956 -1.2819 0.0735 N 0 0 0
- -2.7955 -0.7661 0.0529 C 0 0 0
- -2.7899 1.6396 -0.2141 C 0 0 0
- -1.8883 -1.7585 0.1473 N 0 0 0
- -4.1965 -0.7429 0.0752 C 0 0 0
- -4.1563 1.6354 -0.1894 C 0 0 0
- -4.8569 0.4447 -0.0448 C 0 0 0
- 1.5677 1.3064 0.0000 H 0 0 0
- 0.1024 1.1927 0.0000 H 0 0 0
- 0.2161 -0.2726 0.0000 H 0 0 0
- 0.4116 -1.3781 0.0000 H 0 0 0
- 1.0834 -2.6853 0.0000 H 0 0 0
- 2.3906 -2.0135 0.0000 H 0 0 0
- 1.4024 0.0117 0.0000 H 0 0 0
- -0.0151 -0.3764 0.0000 H 0 0 0
- 0.3730 -1.7939 0.0000 H 0 0 0
- 2.6537 -2.6565 0.0000 H 0 0 0
- 3.9331 -1.9333 0.0000 H 0 0 0
- 3.2099 -0.6539 0.0000 H 0 0 0
- 3.5029 2.7279 0.0000 H 0 0 0
- 2.1754 3.3586 0.0000 H 0 0 0
- 1.5447 2.0311 0.0000 H 0 0 0
- 4.0140 0.0813 0.0000 H 0 0 0
- 4.9377 1.2244 0.0000 H 0 0 0
- 3.7946 2.1481 0.0000 H 0 0 0
- -2.2734 2.5414 0.0000 H 0 0 0
- -4.7307 -1.6343 0.0000 H 0 0 0
- -4.6736 2.5367 0.0000 H 0 0 0
- -5.8960 0.4573 0.0000 H 0 0 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 15 17 1 0
- 19 20 1 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
- 16 39 1 0
- 18 40 1 0
- 19 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-98-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.5801 -0.0592 -0.0016 C 0 0 0
- -0.8500 0.0138 -0.0004 C 0 0 0
- 1.3992 1.2057 0.0007 C 0 0 0
- 1.1858 -1.2439 0.0008 C 0 0 0
- -1.9845 0.0717 0.0005 N 0 0 0
- 2.2687 0.6426 0.0000 H 0 0 0
- 1.9623 2.0752 0.0000 H 0 0 0
- 0.5297 1.7688 0.0000 H 0 0 0
- 0.6228 -2.1135 0.0000 H 0 0 0
- 2.2204 -1.2967 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 3 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 1.6005 -0.4025 -0.5158 C 0 0 1
- 0.3947 0.2960 0.1159 C 0 0 0
- 2.8707 0.2242 -0.0010 C 0 0 0
- 1.5804 -1.8285 -0.1633 N 0 0 0
- -0.8948 -0.3403 -0.4067 C 0 0 0
- 3.4169 1.2643 -0.6504 O 0 0 0
- 3.3973 -0.2095 0.9962 O 0 0 0
- -2.3244 0.4879 0.3422 S 0 0 0
- -3.6719 -0.4447 -0.4356 C 0 0 0
- -5.0161 0.0927 0.0595 C 0 0 0
- 1.6362 0.6665 0.0000 H 0 0 0
- 1.1007 1.0995 0.0000 H 0 0 0
- -0.2562 1.1448 0.0000 H 0 0 0
- 0.6466 -2.3502 0.0000 H 0 0 0
- 2.4991 -2.3763 0.0000 H 0 0 0
- -1.6008 -1.1438 0.0000 H 0 0 0
- -0.2439 -1.1891 0.0000 H 0 0 0
- 3.9142 2.2113 0.0000 H 0 0 0
- -4.2539 -1.3421 0.0000 H 0 0 0
- -2.9043 -1.1896 0.0000 H 0 0 0
- -4.6190 1.0859 0.0000 H 0 0 0
- -6.0093 0.4898 0.0000 H 0 0 0
- -5.4132 -0.9005 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1596-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 0.7284 -0.2225 -0.0156 C 0 0 0
- -0.6098 0.4701 0.0076 C 0 0 0
- 1.8635 0.5039 0.0018 N 0 0 0
- 0.7839 -1.4337 -0.0449 O 0 0 0
- -1.7260 -0.5760 -0.0188 C 0 0 0
- 3.0765 -0.1239 -0.0193 N 0 0 0
- -3.0642 0.1166 0.0044 C 0 0 0
- 3.8306 0.4521 -1.1407 C 0 0 0
- 3.7783 0.2722 1.2090 C 0 0 0
- -4.1947 -0.6068 -0.0129 O 0 0 0
- -3.1195 1.3231 0.0386 O 0 0 0
- -0.0478 1.3077 0.0000 H 0 0 0
- -1.3784 1.1233 0.0000 H 0 0 0
- 1.8173 1.5115 0.0000 H 0 0 0
- -2.2880 -1.4136 0.0000 H 0 0 0
- -0.9574 -1.2292 0.0000 H 0 0 0
- 4.4429 -0.3495 0.0000 H 0 0 0
- 4.6322 1.0644 0.0000 H 0 0 0
- 3.2183 1.2537 0.0000 H 0 0 0
- 4.2741 -0.6062 0.0000 H 0 0 0
- 4.6567 0.7680 0.0000 H 0 0 0
- 3.2825 1.1506 0.0000 H 0 0 0
- -5.0443 -1.1505 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 7 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1646-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.3652 -0.7191 0.0000 C 0 0 0
- -1.1418 -0.7157 0.0000 C 0 0 0
- 0.9737 0.9898 0.0000 S 0 0 0
- 0.8736 -1.4415 1.2493 C 0 0 0
- 0.8736 -1.4415 -1.2492 C 0 0 0
- -1.7791 0.3938 0.0000 N 0 0 0
- 2.7623 0.6873 0.0000 C 0 0 0
- -3.1951 0.3970 0.0000 O 0 0 0
- -1.6749 -1.6342 0.0000 H 0 0 0
- 0.0051 -2.0527 0.0000 H 0 0 0
- 1.4848 -2.3100 0.0000 H 0 0 0
- 1.7421 -0.8303 0.0000 H 0 0 0
- 0.0051 -2.0527 0.0000 H 0 0 0
- 1.4848 -2.3100 0.0000 H 0 0 0
- 1.7421 -0.8303 0.0000 H 0 0 0
- 2.5852 -0.3598 0.0000 H 0 0 0
- 3.8094 0.5102 0.0000 H 0 0 0
- 2.9394 1.7344 0.0000 H 0 0 0
- -4.2571 0.3994 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 3 7 1 0
- 6 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104775-36-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- -6.9808 -0.5143 -0.4056 C 0 0 0
- -6.4044 -0.1836 0.8175 C 0 0 0
- -6.3250 -0.1996 -1.5845 C 0 0 0
- -8.1825 -1.1499 -0.4430 O 0 0 0
- -5.1775 0.4587 0.8504 C 0 0 0
- -7.0444 -0.4901 1.9776 O 0 0 0
- -5.1005 0.4417 -1.5446 C 0 0 0
- -8.5021 -1.3482 -1.8216 C 0 0 0
- -4.5282 0.7700 -0.3302 C 0 0 0
- -6.2114 -0.0291 3.0432 C 0 0 0
- -3.1935 1.4689 -0.2925 C 0 0 0
- -2.0736 0.4273 -0.2492 C 0 0 0
- -0.7761 1.1067 -0.2125 N 0 0 0
- 0.3614 0.3851 -0.1710 C 0 0 0
- 1.6961 1.0839 -0.1333 C 0 0 0
- 0.3110 -0.8267 -0.1639 O 0 0 0
- 2.7684 0.0866 -0.0918 N 0 0 0
- 4.1032 0.4974 -0.0521 C 0 0 0
- 5.1181 -0.4463 -0.0128 C 0 0 0
- 4.4141 1.8524 -0.0576 C 0 0 0
- 6.4491 -0.0309 0.0268 C 0 0 0
- 5.7329 2.2636 -0.0183 C 0 0 0
- 6.7503 1.3320 0.0267 C 0 0 0
- 7.5374 -1.0310 0.0693 C 0 0 0
- 8.8226 -0.6272 0.1076 N 0 0 0
- 7.2728 -2.2174 0.0697 O 0 0 0
- 9.9009 -1.6181 0.1497 C 0 0 0
- -5.8603 -1.1260 0.0000 H 0 0 0
- -5.6419 1.3852 0.0000 H 0 0 0
- -4.6021 -0.4670 0.0000 H 0 0 0
- -9.0485 -0.4676 0.0000 H 0 0 0
- -9.3827 -1.8946 0.0000 H 0 0 0
- -7.9557 -2.2288 0.0000 H 0 0 0
- -5.7096 -0.9359 0.0000 H 0 0 0
- -5.3046 0.4727 0.0000 H 0 0 0
- -6.7132 0.8777 0.0000 H 0 0 0
- -2.4066 2.1433 0.0000 H 0 0 0
- -3.7748 2.3269 0.0000 H 0 0 0
- -2.8605 -0.2471 0.0000 H 0 0 0
- -1.4923 -0.4307 0.0000 H 0 0 0
- -0.7331 2.1422 0.0000 H 0 0 0
- 2.4831 1.7583 0.0000 H 0 0 0
- 1.1148 1.9419 0.0000 H 0 0 0
- 2.5369 -0.9236 0.0000 H 0 0 0
- 4.8886 -1.4570 0.0000 H 0 0 0
- 3.6537 2.5566 0.0000 H 0 0 0
- 5.9586 3.2751 0.0000 H 0 0 0
- 7.7386 1.6442 0.0000 H 0 0 0
- 9.0481 0.3843 0.0000 H 0 0 0
- 9.1996 -2.3812 0.0000 H 0 0 0
- 10.6640 -2.3194 0.0000 H 0 0 0
- 10.6022 -0.8550 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 19 21 1 0
- 20 22 2 0
- 21 23 2 0
- 21 24 1 0
- 24 25 1 0
- 24 26 2 0
- 25 27 1 0
- 7 9 2 0
- 22 23 1 0
- 3 28 1 0
- 5 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 15 42 1 0
- 15 43 1 0
- 17 44 1 0
- 19 45 1 0
- 20 46 1 0
- 22 47 1 0
- 23 48 1 0
- 25 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.1125 0.0633 -0.0013 C 0 0 0
- -1.3522 0.0621 -0.0003 C 0 0 0
- 0.9146 1.1695 -0.0001 C 0 0 0
- 0.9065 -1.0277 0.0025 O 0 0 0
- -2.0257 -1.1068 -0.0017 O 0 0 0
- -1.9612 1.1148 0.0016 O 0 0 0
- 2.2393 0.7071 -0.0017 C 0 0 0
- 2.1894 -0.6437 0.0001 C 0 0 0
- 0.6116 2.1360 0.0000 H 0 0 0
- -2.5314 -1.9844 0.0000 H 0 0 0
- 3.0758 1.2782 0.0000 H 0 0 0
- 2.9905 -1.2635 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 7 8 2 0
- 3 9 1 0
- 5 10 1 0
- 7 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-58-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.4569 0.6909 0.0024 C 0 0 0
- -1.4569 -0.6909 0.0012 C 0 0 0
- -0.1665 1.4207 0.0022 C 0 0 0
- -2.6938 1.4124 -0.0023 C 0 0 0
- -0.1665 -1.4207 -0.0001 C 0 0 0
- -2.6938 -1.4124 0.0018 C 0 0 0
- 1.1039 0.6719 0.0009 C 0 0 0
- -0.1556 2.6351 0.0028 O 0 0 0
- -3.6751 1.9847 -0.0060 N 0 0 0
- 1.1039 -0.6719 -0.0002 C 0 0 0
- -0.1557 -2.6351 -0.0006 O 0 0 0
- -3.6751 -1.9847 0.0023 N 0 0 0
- 2.6113 1.5331 0.0002 Cl 0 0 0
- 2.6113 -1.5331 -0.0017 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 3 0
- 5 10 1 0
- 5 11 2 0
- 6 12 3 0
- 7 13 1 0
- 10 14 1 0
- 7 10 2 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52101-40-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.7536 0.2854 0.0183 C 0 0 0
- -0.7132 0.2849 -0.0218 C 0 0 0
- 1.1220 1.6237 0.0303 C 0 0 0
- 1.6505 -0.8921 0.0465 C 0 0 0
- -1.0894 1.5928 -0.0302 C 0 0 0
- -1.6049 -0.9006 -0.0475 C 0 0 0
- -0.0013 2.3684 0.0007 O 0 0 0
- 2.4902 2.1364 0.0689 C 0 0 0
- 2.5829 -1.0867 -0.9725 C 0 0 0
- 1.5705 -1.8086 1.0955 C 0 0 0
- -2.4866 2.0806 -0.0684 N 0 3 0
- -2.5353 -1.0981 0.9713 C 0 0 0
- -1.5193 -1.8174 -1.0931 C 0 0 0
- 2.7120 3.4675 0.0769 O 0 0 0
- 3.4291 1.3631 0.0939 O 0 0 0
- 3.4164 -2.1860 -0.9403 C 0 0 0
- 2.4094 -2.9036 1.1163 C 0 0 0
- -2.7140 3.2772 -0.0728 O 0 0 0
- -3.4088 1.2854 -0.0955 O 0 5 0
- -3.3625 -2.2022 0.9421 C 0 0 0
- -2.3518 -2.9183 -1.1122 C 0 0 0
- 3.3287 -3.0939 0.0997 C 0 0 0
- -3.2696 -3.1121 -0.0959 C 0 0 0
- 3.1232 -0.2324 0.0000 H 0 0 0
- 0.6000 -2.0912 0.0000 H 0 0 0
- -3.0795 -0.2463 0.0000 H 0 0 0
- -0.5471 -2.0940 0.0000 H 0 0 0
- 2.8781 4.4646 0.0000 H 0 0 0
- 4.3889 -1.9103 0.0000 H 0 0 0
- 1.8720 -3.7597 0.0000 H 0 0 0
- -4.3365 -1.9320 0.0000 H 0 0 0
- -1.8100 -3.7716 0.0000 H 0 0 0
- 3.9284 -3.9076 0.0000 H 0 0 0
- -3.8655 -3.9286 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 2 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 16 22 2 0
- 20 23 1 0
- 5 7 1 0
- 17 22 1 0
- 21 23 2 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-529-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.3967 0.3084 0.0030 C 0 0 0
- 0.2016 -0.9530 0.0010 C 0 0 0
- 0.4028 1.4534 0.0023 C 0 0 0
- -1.8237 0.4276 -0.0002 C 0 0 0
- 1.5771 -1.0605 -0.0016 C 0 0 0
- -0.6529 -2.1943 0.0012 C 0 0 0
- 1.7767 1.3314 -0.0003 C 0 0 0
- -2.9558 0.5221 -0.0027 N 0 0 0
- 2.3631 0.0779 -0.0023 C 0 0 0
- -0.0358 2.3941 0.0000 H 0 0 0
- 2.0232 -1.9977 0.0000 H 0 0 0
- -1.5078 -1.6058 0.0000 H 0 0 0
- -1.2414 -3.0492 0.0000 H 0 0 0
- 0.2020 -2.7828 0.0000 H 0 0 0
- 2.3720 2.1816 0.0000 H 0 0 0
- 3.3974 -0.0085 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 3 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58430-01-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.9123 0.0995 0.0033 C 0 0 0
- 0.6034 -1.2854 -0.0004 C 0 0 0
- 2.3262 0.5077 0.0027 C 0 0 0
- -0.0391 1.0202 0.0019 N 0 0 0
- -0.7284 -1.7027 0.0000 C 0 0 0
- 1.6784 -2.2750 -0.0051 C 0 0 0
- 3.3332 -0.4793 -0.0016 C 0 0 0
- 2.6808 1.8585 0.0057 C 0 0 0
- -1.3279 0.6913 -0.0028 C 0 0 0
- -1.7237 -0.7198 0.0041 C 0 0 0
- -1.0834 -3.1673 -0.0045 C 0 0 0
- 2.9707 -1.8938 -0.0057 C 0 0 0
- 4.6787 -0.0877 -0.0022 C 0 0 0
- 4.0110 2.2125 0.0045 C 0 0 0
- -2.3381 1.6725 -0.0048 C 0 0 0
- -3.0921 -1.0470 0.0052 C 0 0 0
- 5.0014 1.2384 0.0012 C 0 0 0
- -3.6431 1.2922 -0.0102 C 0 0 0
- -4.0172 -0.0503 0.0097 C 0 0 0
- -4.7150 2.3514 -0.0118 C 0 0 0
- -5.4816 -0.4059 0.0104 C 0 0 0
- 1.4404 -3.2977 0.0000 H 0 0 0
- 1.9370 2.5997 0.0000 H 0 0 0
- -2.1039 -2.9199 0.0000 H 0 0 0
- -1.3308 -4.1878 0.0000 H 0 0 0
- -0.0629 -3.4147 0.0000 H 0 0 0
- 3.7264 -2.6228 0.0000 H 0 0 0
- 5.4375 -0.8135 0.0000 H 0 0 0
- 4.2794 3.2277 0.0000 H 0 0 0
- -2.0848 2.6915 0.0000 H 0 0 0
- -3.3964 -2.0520 0.0000 H 0 0 0
- 6.0113 1.5261 0.0000 H 0 0 0
- -3.9769 3.0983 0.0000 H 0 0 0
- -5.4619 3.0895 0.0000 H 0 0 0
- -5.4531 1.6045 0.0000 H 0 0 0
- -5.7294 0.6145 0.0000 H 0 0 0
- -6.5020 -0.6537 0.0000 H 0 0 0
- -5.2338 -1.4263 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 18 20 1 0
- 19 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-11056-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-362372 1 V2000
- -22.8707 2.8951 -4.1159 C 0 0 0
- -22.1046 4.1592 -3.7207 C 0 0 0
- -23.6773 2.4641 -3.0180 O 0 0 0
- -23.7528 3.1924 -5.3011 C 0 0 0
- -23.0556 5.2165 -3.3686 N 0 0 0
- -21.2225 3.8619 -2.5355 C 0 0 0
- -23.7295 1.0374 -3.0788 C 0 0 0
- -23.5707 2.7400 -6.5564 C 0 0 0
- -24.8602 3.9491 -5.2893 N 0 0 0
- -22.7168 6.1524 -2.4599 C 0 0 0
- -19.9606 3.4287 -2.7264 N 0 0 0
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-186184 2 0
-187185 1 0
-188187 1 0
-189188 1 0
-190189 1 0
-191190 1 0
-192191 1 0
-193192 2 0
-194192 1 0
- 15 16 1 0
- 22 29 1 0
- 33 41 1 0
- 47 53 1 0
- 81 82 2 0
- 86 87 2 0
-111112 1 0
-118125 1 0
-129137 1 0
-143149 1 0
-177178 2 0
-182183 2 0
- 1195 1 0
- 2196 1 0
- 5197 1 0
- 7198 1 0
- 8199 1 0
- 11200 1 0
- 13201 1 0
- 15202 1 0
- 16203 1 0
- 19204 1 0
- 21205 1 0
- 22206 1 0
- 25207 1 0
- 26208 1 0
- 26209 1 0
- 26210 1 0
- 27211 1 0
- 28212 1 0
- 29213 1 0
- 30214 1 0
- 30215 1 0
- 32216 1 0
- 32217 1 0
- 32218 1 0
- 34219 1 0
- 35220 1 0
- 36221 1 0
- 38222 1 0
- 39223 1 0
- 40224 1 0
- 42225 1 0
- 42226 1 0
- 44227 1 0
- 44228 1 0
- 44229 1 0
- 45230 1 0
- 46231 1 0
- 47232 1 0
- 48233 1 0
- 49234 1 0
- 49235 1 0
- 50236 1 0
- 53237 1 0
- 54238 1 0
- 54239 1 0
- 55240 1 0
- 55241 1 0
- 57242 1 0
- 59243 1 0
- 60244 1 0
- 61245 1 0
- 62246 1 0
- 62247 1 0
- 65248 1 0
- 66249 1 0
- 66250 1 0
- 69251 1 0
- 69252 1 0
- 70253 1 0
- 72254 1 0
- 72255 1 0
- 72256 1 0
- 73257 1 0
- 74258 1 0
- 74259 1 0
- 76260 1 0
- 76261 1 0
- 77262 1 0
- 77263 1 0
- 82264 1 0
- 87265 1 0
- 89266 1 0
- 91267 1 0
- 91268 1 0
- 92269 1 0
- 92270 1 0
- 93271 1 0
- 93272 1 0
- 95273 1 0
- 95274 1 0
- 95275 1 0
- 96276 1 0
- 96277 1 0
- 96278 1 0
- 97279 1 0
- 98280 1 0
-101281 1 0
-103282 1 0
-104283 1 0
-107284 1 0
-109285 1 0
-111286 1 0
-112287 1 0
-115288 1 0
-117289 1 0
-118290 1 0
-121291 1 0
-122292 1 0
-122293 1 0
-122294 1 0
-123295 1 0
-124296 1 0
-125297 1 0
-126298 1 0
-126299 1 0
-128300 1 0
-128301 1 0
-128302 1 0
-130303 1 0
-131304 1 0
-132305 1 0
-134306 1 0
-135307 1 0
-136308 1 0
-138309 1 0
-138310 1 0
-140311 1 0
-140312 1 0
-140313 1 0
-141314 1 0
-142315 1 0
-143316 1 0
-144317 1 0
-145318 1 0
-145319 1 0
-146320 1 0
-149321 1 0
-150322 1 0
-150323 1 0
-151324 1 0
-151325 1 0
-153326 1 0
-155327 1 0
-156328 1 0
-157329 1 0
-158330 1 0
-158331 1 0
-161332 1 0
-162333 1 0
-162334 1 0
-165335 1 0
-165336 1 0
-166337 1 0
-168338 1 0
-168339 1 0
-168340 1 0
-169341 1 0
-170342 1 0
-170343 1 0
-172344 1 0
-172345 1 0
-173346 1 0
-173347 1 0
-178348 1 0
-183349 1 0
-185350 1 0
-187351 1 0
-187352 1 0
-188353 1 0
-188354 1 0
-189355 1 0
-189356 1 0
-190357 1 0
-190358 1 0
-191359 1 0
-193360 1 0
-194361 1 0
-194362 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2922-54-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 13 1 V2000
- -0.2556 -1.0286 0.2775 C 0 0 0
- -1.3214 0.0182 0.4757 C 0 0 0
- 0.9084 -0.9349 0.9393 O 0 0 0
- -0.4508 -1.9549 -0.4733 O 0 0 0
- -2.5375 -0.3223 -0.3880 C 0 0 0
- -3.6033 0.7246 -0.1898 C 0 0 0
- -3.4076 1.6598 0.5743 O 0 0 0
- -4.6643 0.6392 -0.7931 O 0 0 0
- 9.3310 0.7289 -0.2637 Na 0 3 0
- -0.6089 0.5275 0.0000 H 0 0 0
- -1.6998 0.8080 0.0000 H 0 0 0
- 1.7814 -0.8646 0.0000 H 0 0 0
- -3.2500 -0.8316 0.0000 H 0 0 0
- -2.1591 -1.1122 0.0000 H 0 0 0
- -5.5373 0.5689 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 2 0
- 6 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2782-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.0034 -0.1161 -0.0036 C 0 0 0
- -1.1419 0.5955 -0.1218 N 0 0 0
- 1.1772 0.5191 0.1345 N 0 0 0
- -0.0577 -1.8272 -0.0219 S 0 0 0
- -2.1922 0.4709 0.8919 C 0 0 0
- -1.3290 1.4937 -1.2639 C 0 0 0
- 2.1895 0.4211 -0.9198 C 0 0 0
- 1.4481 1.3078 1.3391 C 0 0 0
- -2.2857 1.2586 0.0000 H 0 0 0
- -2.9799 0.3775 0.0000 H 0 0 0
- -2.0987 -0.3168 0.0000 H 0 0 0
- -0.5524 1.6555 0.0000 H 0 0 0
- -1.4908 2.2703 0.0000 H 0 0 0
- -2.1056 1.3319 0.0000 H 0 0 0
- 2.1131 -0.3685 0.0000 H 0 0 0
- 2.9791 0.3447 0.0000 H 0 0 0
- 2.2659 1.2107 0.0000 H 0 0 0
- 2.1983 1.0501 0.0000 H 0 0 0
- 1.7058 2.0580 0.0000 H 0 0 0
- 0.6979 1.5655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109875-50-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.8316 -0.1111 0.0178 C 0 0 0
- -0.6456 -0.0529 0.0083 C 0 0 0
- 1.5122 0.9913 -0.1845 N 0 0 0
- 1.4457 -1.3116 0.2428 N 0 0 0
- -1.3835 -1.0765 -0.5878 C 0 0 0
- -1.3086 1.0233 0.6007 C 0 0 0
- 2.8556 0.9855 -0.1845 C 0 0 0
- 2.8040 -1.3986 0.2578 C 0 0 0
- -2.7620 -1.0163 -0.5928 C 0 0 0
- -2.6870 1.0713 0.5888 C 0 0 0
- 3.5473 -0.2334 0.0381 C 0 0 0
- 3.7923 1.9177 -0.3563 N 0 0 0
- 3.4264 -2.5942 0.4819 N 0 0 0
- -3.4126 0.0557 -0.0086 C 0 0 0
- 4.8576 0.0585 -0.0169 N 0 0 0
- 4.9844 1.3469 -0.2530 C 0 0 0
- -4.8917 0.1140 -0.0181 N 0 3 0
- -5.4673 1.0565 0.4955 O 0 0 0
- -5.5331 -0.7806 -0.5394 O 0 5 0
- 0.8931 -2.1532 0.0000 H 0 0 0
- -0.9444 -1.9825 0.0000 H 0 0 0
- -0.8025 1.8936 0.0000 H 0 0 0
- -3.2749 -1.8827 0.0000 H 0 0 0
- -3.1320 1.9744 0.0000 H 0 0 0
- 2.8854 -3.4433 0.0000 H 0 0 0
- 4.4323 -2.6381 0.0000 H 0 0 0
- 5.8616 1.8411 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 11 2 0
- 10 14 1 0
- 15 16 2 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 13 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5221-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.6594 0.8778 -0.4862 C 0 0 0
- -1.8038 1.8218 -0.2212 C 0 0 0
- 0.5529 1.2997 0.3466 C 0 0 0
- -1.1896 -0.9498 0.0075 Br 0 0 0
- -2.8424 1.4004 0.2284 O 0 0 0
- 2.0459 0.0682 0.0010 Br 0 0 0
- 0.1477 0.1120 0.0000 H 0 0 0
- -1.6352 2.9216 0.0000 H 0 0 0
- 1.4046 2.0156 0.0000 H 0 0 0
- 0.0030 2.2669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-602-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.0002 -0.7172 -0.0025 C 0 0 0
- -1.2046 -0.0160 -0.0013 C 0 0 0
- 1.2042 -0.0158 -0.0015 C 0 0 0
- 0.0005 -2.1989 0.0014 N 0 3 0
- -1.2047 1.4506 0.0009 C 0 0 0
- -2.4423 -0.6940 -0.0027 C 0 0 0
- 1.2040 1.4509 0.0007 C 0 0 0
- 2.4425 -0.6936 -0.0031 C 0 0 0
- -0.0021 -2.8107 -1.0518 O 0 0 0
- 0.0032 -2.8051 1.0578 O 0 5 0
- -0.0001 2.1521 0.0019 C 0 0 0
- -2.4423 2.1288 0.0016 C 0 0 0
- -3.5972 0.0200 -0.0019 C 0 0 0
- 2.4419 2.1294 0.0012 C 0 0 0
- 3.5969 0.0205 -0.0026 C 0 0 0
- -3.5972 1.4149 0.0002 C 0 0 0
- 3.5966 1.4159 -0.0005 C 0 0 0
- -2.4698 -1.7391 0.0000 H 0 0 0
- 2.4703 -1.7387 0.0000 H 0 0 0
- -0.0001 3.1976 0.0000 H 0 0 0
- -2.4697 3.1739 0.0000 H 0 0 0
- -4.5104 -0.4891 0.0000 H 0 0 0
- 2.4691 3.1745 0.0000 H 0 0 0
- 4.5102 -0.4883 0.0000 H 0 0 0
- -4.5104 1.9240 0.0000 H 0 0 0
- 4.5097 1.9252 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 12 16 1 0
- 14 17 2 0
- 7 11 2 0
- 13 16 2 0
- 15 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.2555 -0.0001 -0.0019 C 0 0 0
- -1.2281 0.0002 -0.0019 C 0 0 0
- 0.9539 1.1344 -0.4108 C 0 0 0
- 0.9536 -1.1333 0.4126 C 0 0 0
- -1.9276 -1.1328 -0.4123 C 0 0 0
- -1.9273 1.1318 0.4141 C 0 0 0
- 2.3331 1.1313 -0.4093 C 0 0 0
- 2.3324 -1.1305 0.4120 C 0 0 0
- -3.3080 -1.1269 -0.4103 C 0 0 0
- -3.3073 1.1266 0.4120 C 0 0 0
- 3.0256 -0.0004 -0.0010 C 0 0 0
- -3.9966 0.0008 -0.0020 C 0 0 0
- 4.3843 -0.0007 -0.0010 O 0 0 0
- 0.4677 2.0070 0.0000 H 0 0 0
- 0.4674 -2.0059 0.0000 H 0 0 0
- -1.4428 -2.0062 0.0000 H 0 0 0
- -1.4425 2.0052 0.0000 H 0 0 0
- 2.8225 2.0021 0.0000 H 0 0 0
- 2.8212 -2.0017 0.0000 H 0 0 0
- -3.7986 -1.9970 0.0000 H 0 0 0
- -3.7972 1.9971 0.0000 H 0 0 0
- -4.9955 0.0014 0.0000 H 0 0 0
- 5.3832 -0.0009 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 8 11 1 0
- 10 12 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-695-99-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -2.1580 -0.9845 -0.0004 Cl 0 0 0
- -0.5655 -0.2935 -0.0019 C 0 0 0
- -0.3964 1.1758 0.0000 C 0 0 0
- 0.5131 -1.0922 0.0007 C 0 0 0
- -1.3714 1.8996 0.0027 O 0 0 0
- 0.9592 1.7623 -0.0008 C 0 0 0
- 1.8658 -0.5047 -0.0001 C 0 0 0
- 2.0348 0.9633 -0.0033 C 0 0 0
- 2.8417 -1.2279 0.0022 O 0 0 0
- 0.3875 -2.1911 0.0000 H 0 0 0
- 1.0864 2.8610 0.0000 H 0 0 0
- 3.0498 1.4028 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 6 2 0
- 9 7 2 0
- 7 8 1 0
- 4 10 1 0
- 6 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.8454 0.2585 -0.0009 C 0 0 0
- -0.5882 0.5846 0.0000 C 0 0 0
- 1.7998 1.2822 0.0004 C 0 0 0
- 1.2630 -1.0769 0.0028 C 0 0 0
- -1.5082 -0.4083 -0.0012 C 0 0 0
- 3.1419 0.9679 -0.0005 C 0 0 0
- 2.6094 -1.3742 0.0019 C 0 0 0
- -2.8833 -0.0955 -0.0003 C 0 0 0
- 3.5468 -0.3560 -0.0027 C 0 0 0
- -3.9075 -1.2009 -0.0017 C 0 0 0
- -3.2420 1.0647 0.0015 O 0 0 0
- -0.8950 1.5766 0.0000 H 0 0 0
- 1.4977 2.2756 0.0000 H 0 0 0
- 0.5609 -1.8419 0.0000 H 0 0 0
- -1.2014 -1.4003 0.0000 H 0 0 0
- 3.8512 1.7262 0.0000 H 0 0 0
- 2.9209 -2.3647 0.0000 H 0 0 0
- 4.5593 -0.5863 0.0000 H 0 0 0
- -4.6691 -0.4952 0.0000 H 0 0 0
- -4.6132 -1.9625 0.0000 H 0 0 0
- -3.1459 -1.9066 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 7 9 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16757-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.3791 -0.3568 -0.0014 C 0 0 0
- -1.7460 -0.0269 -0.0011 C 0 0 0
- 0.5867 0.6653 -0.0002 C 0 0 0
- 0.0284 -1.7626 0.0032 C 0 0 0
- -2.1326 1.3332 -0.0001 C 0 0 0
- -2.7221 -1.0481 -0.0023 C 0 0 0
- 1.9987 0.2878 -0.0005 C 0 0 0
- 0.1775 2.0120 0.0017 C 0 0 0
- 1.3747 -2.0873 0.0025 C 0 0 0
- -1.0072 -2.7964 0.0079 C 0 0 0
- -1.1394 2.3380 0.0001 C 0 0 0
- -3.4964 1.6499 0.0002 C 0 0 0
- -2.3128 -2.4503 -0.0034 C 0 0 0
- -4.0719 -0.6902 -0.0020 C 0 0 0
- 2.3572 -1.0837 -0.0020 C 0 0 0
- 3.0022 1.2645 0.0002 C 0 0 0
- 1.2149 3.1051 0.0030 C 0 0 0
- -4.4393 0.6432 -0.0006 C 0 0 0
- 3.7228 -1.4314 -0.0027 C 0 0 0
- 4.3129 0.8905 -0.0005 C 0 0 0
- 4.6706 -0.4555 -0.0020 C 0 0 0
- 1.6658 -3.1009 0.0000 H 0 0 0
- -0.7333 -3.8148 0.0000 H 0 0 0
- -1.4250 3.3532 0.0000 H 0 0 0
- -3.8030 2.6590 0.0000 H 0 0 0
- -3.0492 -3.2052 0.0000 H 0 0 0
- -4.8140 -1.4395 0.0000 H 0 0 0
- 2.7444 2.2871 0.0000 H 0 0 0
- 1.9799 2.3791 0.0000 H 0 0 0
- 1.9409 3.8701 0.0000 H 0 0 0
- 0.4499 3.8311 0.0000 H 0 0 0
- -5.4632 0.8958 0.0000 H 0 0 0
- 4.0095 -2.4463 0.0000 H 0 0 0
- 5.0654 1.6294 0.0000 H 0 0 0
- 5.6910 -0.7221 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 8 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 2 0
- 20 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27758-60-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -0.0001 -1.2717 0.0101 N 0 0 0
- 1.2095 -0.5725 0.0065 C 0 0 0
- -1.2104 -0.5737 0.0031 C 0 0 0
- 0.0006 -2.6376 0.0149 N 0 0 0
- 1.7938 -0.1861 1.2059 C 0 0 0
- 1.8335 -0.2670 -1.1968 C 0 0 0
- -1.8281 -0.2388 1.2018 C 0 0 0
- -1.7962 -0.2081 -1.2022 C 0 0 0
- 2.9899 0.5045 1.1986 C 0 0 0
- 3.0291 0.4237 -1.1968 C 0 0 0
- -3.0242 0.4510 1.1912 C 0 0 0
- -2.9927 0.4817 -1.2055 C 0 0 0
- 3.6056 0.8114 -0.0008 C 0 0 0
- -3.6075 0.8084 -0.0109 C 0 0 0
- 4.9106 1.5651 -0.0048 C 0 0 0
- -4.9133 1.5608 -0.0185 C 0 0 0
- -0.8863 -3.1503 0.0000 H 0 0 0
- 0.8880 -3.1494 0.0000 H 0 0 0
- 1.2549 0.6851 0.0000 H 0 0 0
- 2.3152 -1.1711 0.0000 H 0 0 0
- -2.3282 -1.1329 0.0000 H 0 0 0
- -1.2691 0.6703 0.0000 H 0 0 0
- 2.5051 1.4069 0.0000 H 0 0 0
- 3.5715 -0.4454 0.0000 H 0 0 0
- -3.5477 -0.4295 0.0000 H 0 0 0
- -2.4964 1.3779 0.0000 H 0 0 0
- 5.4229 0.6780 0.0000 H 0 0 0
- 5.7977 2.0774 0.0000 H 0 0 0
- 4.3983 2.4522 0.0000 H 0 0 0
- -4.4019 2.4484 0.0000 H 0 0 0
- -5.8009 2.0722 0.0000 H 0 0 0
- -5.4247 0.6732 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 10 13 1 0
- 12 14 2 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 2.6691 -0.6593 -0.0123 C 0 0 0
- 3.2894 -0.3790 1.1914 C 0 0 0
- 3.2918 -0.3397 -1.2045 C 0 0 0
- 1.3147 -1.3199 -0.0246 C 0 0 0
- 4.5333 0.2213 1.2053 C 0 0 0
- 4.5361 0.2608 -1.1960 C 0 0 0
- 0.2238 -0.2472 -0.0046 C 0 0 0
- 5.1604 0.5431 0.0101 C 0 0 0
- -1.1512 -0.9180 -0.0171 C 0 0 0
- 6.3845 1.1333 0.0211 O 0 0 0
- -2.2421 0.1547 0.0028 C 0 0 0
- -3.6172 -0.5160 -0.0097 C 0 0 0
- -4.7080 0.5567 0.0103 C 0 0 0
- -6.0831 -0.1140 -0.0022 C 0 0 0
- -7.1739 0.9587 0.0177 C 0 0 0
- -8.5490 0.2879 0.0052 C 0 0 0
- 3.7714 -1.4108 0.0000 H 0 0 0
- 2.7843 0.6798 0.0000 H 0 0 0
- 0.4295 -2.0364 0.0000 H 0 0 0
- 1.9265 -2.2804 0.0000 H 0 0 0
- 5.0408 -0.7982 0.0000 H 0 0 0
- 4.0540 1.2925 0.0000 H 0 0 0
- 1.1089 0.4693 0.0000 H 0 0 0
- -0.3880 0.7133 0.0000 H 0 0 0
- -2.0363 -1.6345 0.0000 H 0 0 0
- -0.5394 -1.8785 0.0000 H 0 0 0
- 7.4103 1.6279 0.0000 H 0 0 0
- -1.3569 0.8712 0.0000 H 0 0 0
- -2.8539 1.1152 0.0000 H 0 0 0
- -4.5024 -1.2325 0.0000 H 0 0 0
- -3.0054 -1.4765 0.0000 H 0 0 0
- -3.8228 1.2732 0.0000 H 0 0 0
- -5.3198 1.5172 0.0000 H 0 0 0
- -6.9683 -0.8305 0.0000 H 0 0 0
- -5.4713 -1.0745 0.0000 H 0 0 0
- -6.2887 1.6752 0.0000 H 0 0 0
- -7.7857 1.9192 0.0000 H 0 0 0
- -9.0483 1.3114 0.0000 H 0 0 0
- -9.5725 -0.2114 0.0000 H 0 0 0
- -8.0497 -0.7356 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 6 8 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 16 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83621-06-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 50 1 V2000
- -2.7661 2.4054 0.2178 C 0 0 0
- -3.8190 1.3702 0.1530 C 0 0 0
- -2.3494 3.0560 -0.9463 C 0 0 0
- -2.1881 2.7413 1.4429 C 0 0 0
- -5.1051 1.7143 0.2902 C 0 0 0
- -3.4809 0.0678 -0.0460 O 0 0 0
- -1.3659 4.0222 -0.8786 C 0 0 0
- -3.0662 2.6497 -2.4743 Cl 0 0 0
- -1.2061 3.7088 1.4972 C 0 0 0
- -6.0905 0.7267 0.3386 N 0 0 0
- -5.4894 3.1679 0.3924 C 0 0 0
- -3.1017 -0.4596 1.2269 C 0 0 0
- -0.7932 4.3466 0.3397 C 0 0 0
- -6.7624 0.3002 1.4545 C 0 0 0
- -6.5685 0.0113 -0.7121 C 0 0 0
- -2.5902 -1.8911 1.0538 C 0 0 0
- 0.4436 5.5624 0.4169 Cl 0 0 0
- -7.6184 -0.6592 1.0518 C 0 0 0
- -7.4795 -0.8149 -0.2727 N 0 0 0
- -1.4578 -1.8902 0.1821 O 0 0 0
- -1.0496 -3.1815 0.0670 C 0 0 0
- 0.0442 -3.4961 -0.7265 C 0 0 0
- -1.7224 -4.1858 0.7471 C 0 0 0
- 0.4579 -4.8089 -0.8418 C 0 0 0
- -1.3057 -5.4978 0.6292 C 0 0 0
- -0.2180 -5.8101 -0.1666 C 0 0 0
- 0.3034 -7.4594 -0.3136 Cl 0 0 0
- 16.4190 0.6690 0.0881 N 0 3 0
- 15.6710 -0.2774 0.2568 O 0 0 0
- 17.5396 0.4884 -0.3535 O 0 0 0
- 16.0444 1.7965 0.3563 O 0 5 0
- -1.6380 2.0210 0.0000 H 0 0 0
- -1.9115 4.7459 0.0000 H 0 0 0
- -0.5035 3.1363 0.0000 H 0 0 0
- -4.6132 3.3995 0.0000 H 0 0 0
- -5.7210 4.0441 0.0000 H 0 0 0
- -6.3656 2.9363 0.0000 H 0 0 0
- -2.1988 -0.5384 0.0000 H 0 0 0
- -2.6536 0.3282 0.0000 H 0 0 0
- -7.3490 0.9911 0.0000 H 0 0 0
- -5.8821 -0.5806 0.0000 H 0 0 0
- -3.4728 -2.0969 0.0000 H 0 0 0
- -2.4863 -2.7914 0.0000 H 0 0 0
- -8.5247 -0.6592 0.0000 H 0 0 0
- 0.6769 -2.8472 0.0000 H 0 0 0
- -2.6197 -4.0581 0.0000 H 0 0 0
- 1.3548 -4.9392 0.0000 H 0 0 0
- -1.9375 -6.1475 0.0000 H 0 0 0
- 15.1090 -0.9884 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 15 19 2 0
- 16 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 2 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 28 29 1 0
- 28 30 2 0
- 28 31 1 0
- 9 13 2 0
- 18 19 1 0
- 25 26 2 0
- 4 32 1 0
- 7 33 1 0
- 9 34 1 0
- 11 35 1 0
- 11 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 14 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 18 44 1 0
- 22 45 1 0
- 23 46 1 0
- 24 47 1 0
- 25 48 1 0
- 29 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14667-55-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.6653 0.7897 0.0019 C 0 0 0
- -1.1054 -0.5223 0.0007 C 0 0 0
- 0.6297 1.0521 0.0016 N 0 0 0
- -1.6630 1.9191 -0.0027 C 0 0 0
- -0.2307 -1.5125 -0.0008 N 0 0 0
- -2.5824 -0.8217 0.0006 C 0 0 0
- 1.5045 0.0616 0.0001 C 0 0 0
- 1.0646 -1.2500 -0.0011 C 0 0 0
- 2.9815 0.3608 -0.0003 C 0 0 0
- -0.8854 2.6060 0.0000 H 0 0 0
- -2.3499 2.6967 0.0000 H 0 0 0
- -2.4406 1.2322 0.0000 H 0 0 0
- -2.7885 0.1952 0.0000 H 0 0 0
- -3.5993 -1.0278 0.0000 H 0 0 0
- -2.3763 -1.8386 0.0000 H 0 0 0
- 1.7515 -2.0276 0.0000 H 0 0 0
- 3.1875 -0.6561 0.0000 H 0 0 0
- 3.9984 0.5668 0.0000 H 0 0 0
- 2.7755 1.3777 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 8 2 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-823-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -2.8632 0.4638 -0.0003 N 0 0 0
- -3.7031 -0.6763 -0.0024 O 0 0 0
- -1.4744 0.3085 -0.0005 C 0 0 0
- -0.6495 1.4257 0.0015 C 0 0 0
- -0.9164 -0.9637 0.0031 C 0 0 0
- 0.7229 1.2692 0.0013 C 0 0 0
- 0.4562 -1.1142 0.0028 C 0 0 0
- 1.2759 0.0010 -0.0009 C 0 0 0
- 3.0012 -0.1919 -0.0012 Cl 0 0 0
- -3.2805 1.4181 0.0000 H 0 0 0
- -4.3209 -1.5149 0.0000 H 0 0 0
- -1.0653 2.3807 0.0000 H 0 0 0
- -1.5328 -1.8033 0.0000 H 0 0 0
- 1.3420 2.1068 0.0000 H 0 0 0
- 0.8751 -2.0678 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 2 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79455-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- 3.3394 0.2345 -0.0733 C 0 0 0
- 2.6430 -1.0205 -0.4278 C 0 0 0
- 4.6357 0.4855 -0.5394 C 0 0 0
- 2.7138 1.1913 0.7265 C 0 0 0
- 1.3953 -1.2505 0.0270 N 0 0 0
- 3.1957 -1.8449 -1.1295 O 0 0 0
- 5.2432 1.6751 -0.1789 C 0 0 0
- 3.3340 2.3093 1.0425 N 0 0 0
- 0.7052 -2.4941 -0.3242 C 0 0 0
- 4.5573 2.5700 0.6227 C 0 0 0
- -0.6846 -2.5043 0.3153 C 0 0 0
- -1.4572 -1.3612 -0.1772 N 0 0 0
- -1.4054 -3.8031 -0.0516 C 0 0 0
- -2.3976 -0.7958 0.6054 C 0 0 0
- -3.1772 0.3578 0.1084 C 0 0 0
- -2.6046 -1.2344 1.7200 O 0 0 0
- -4.1569 0.9541 0.9116 C 0 0 0
- -2.9451 0.8742 -1.1668 C 0 0 0
- -4.8581 2.0313 0.3995 C 0 0 0
- -3.6392 1.9021 -1.6096 N 0 0 0
- -4.5718 2.4805 -0.8773 C 0 0 0
- 5.2037 -0.2695 0.0000 H 0 0 0
- 1.7696 1.1570 0.0000 H 0 0 0
- 0.8438 -0.4833 0.0000 H 0 0 0
- 6.1841 1.7609 0.0000 H 0 0 0
- 0.5510 -3.4262 0.0000 H 0 0 0
- 1.5974 -2.8050 0.0000 H 0 0 0
- 4.8843 3.4564 0.0000 H 0 0 0
- -0.2445 -1.6683 0.0000 H 0 0 0
- -0.8071 -0.6756 0.0000 H 0 0 0
- -2.2315 -3.3446 0.0000 H 0 0 0
- -1.8639 -4.6292 0.0000 H 0 0 0
- -0.5793 -4.2616 0.0000 H 0 0 0
- -4.8148 0.2760 0.0000 H 0 0 0
- -2.0038 0.9551 0.0000 H 0 0 0
- -5.8029 2.0268 0.0000 H 0 0 0
- -4.7818 3.4017 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 15 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 8 10 2 0
- 20 21 2 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 7 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-606-35-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.0414 -0.0098 0.0861 C 0 0 0
- -0.3375 -1.2055 0.0740 C 0 0 0
- -0.3559 1.1960 0.0762 C 0 0 0
- -2.4003 -0.0201 0.1020 O 0 0 0
- 1.0435 -1.1923 0.0521 C 0 0 0
- -1.0659 -2.4940 0.0850 N 0 3 0
- 1.0255 1.2038 0.0543 C 0 0 0
- -1.1038 2.4734 0.0886 N 0 3 0
- -2.8296 0.0163 -1.2605 C 0 0 0
- 1.7246 0.0112 0.0423 C 0 0 0
- -0.7023 -3.4052 -0.6368 O 0 0 0
- -2.0288 -2.6431 0.8158 O 0 5 0
- -0.7593 3.3879 -0.6384 O 0 0 0
- -2.0637 2.6099 0.8259 O 0 5 0
- 3.2046 0.0225 0.0193 N 0 3 0
- 3.8055 1.0819 0.0106 O 0 0 0
- 3.8215 -1.0277 0.0091 O 0 5 0
- 1.5695 -2.0846 0.0000 H 0 0 0
- 1.5379 2.1040 0.0000 H 0 0 0
- -2.7421 1.0484 0.0000 H 0 0 0
- -3.8617 0.1038 0.0000 H 0 0 0
- -2.9171 -1.0158 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 15 16 2 0
- 15 17 1 0
- 7 10 2 0
- 5 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-316-49-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.0472 -0.1508 -0.0023 C 0 0 0
- -1.4641 -0.5431 -0.0018 C 0 0 0
- 0.2856 1.2749 -0.0007 C 0 0 0
- 0.9553 -1.1060 0.0013 C 0 0 0
- -2.4569 0.4588 0.0003 C 0 0 0
- -1.8361 -1.8885 -0.0030 C 0 0 0
- 1.6150 1.6814 -0.0007 C 0 0 0
- -0.7947 2.2600 0.0015 C 0 0 0
- 2.2943 -0.7031 0.0007 C 0 0 0
- -2.0832 1.8697 0.0014 C 0 0 0
- -3.8075 0.0826 0.0008 C 0 0 0
- -3.1707 -2.2260 -0.0020 C 0 0 0
- 2.6308 0.7223 -0.0022 C 0 0 0
- 3.3402 -1.6474 0.0050 C 0 0 0
- -4.1477 -1.2387 -0.0007 C 0 0 0
- -4.8835 1.1377 0.0036 C 0 0 0
- 3.9897 1.0980 -0.0023 C 0 0 0
- 4.6299 -1.2192 0.0048 C 0 0 0
- 4.9506 0.1374 -0.0038 C 0 0 0
- 0.7118 -2.1256 0.0000 H 0 0 0
- -1.1031 -2.6379 0.0000 H 0 0 0
- 1.8540 2.7021 0.0000 H 0 0 0
- -0.5633 3.2824 0.0000 H 0 0 0
- -2.8374 2.5978 0.0000 H 0 0 0
- -3.4518 -3.2359 0.0000 H 0 0 0
- 3.1248 -2.6733 0.0000 H 0 0 0
- -5.1596 -1.5123 0.0000 H 0 0 0
- -4.1496 1.8862 0.0000 H 0 0 0
- -5.6320 1.8716 0.0000 H 0 0 0
- -5.6174 0.3892 0.0000 H 0 0 0
- 4.2569 2.1116 0.0000 H 0 0 0
- 5.4032 -1.9269 0.0000 H 0 0 0
- 5.9590 0.4238 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 17 19 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-125-33-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.5145 0.0563 0.4137 C 0 0 0
- -0.9405 0.0573 0.0212 C 0 0 0
- 1.1882 -1.1461 -0.1813 C 0 0 0
- 1.1622 1.3181 -0.0784 C 0 0 0
- 0.6270 -0.0037 1.9384 C 0 0 0
- -1.4411 -0.9522 -0.7799 C 0 0 0
- -1.7757 1.0644 0.4667 C 0 0 0
- 2.4109 -1.0844 -0.7180 N 0 0 0
- 0.6035 -2.2086 -0.1753 O 0 0 0
- 2.3858 1.3273 -0.6164 N 0 0 0
- 0.5552 2.3638 0.0158 O 0 0 0
- -0.1821 -1.1916 2.4630 C 0 0 0
- -2.7755 -0.9512 -1.1399 C 0 0 0
- -3.1106 1.0654 0.1065 C 0 0 0
- 3.2041 0.1339 -0.7618 C 0 0 0
- -3.6097 0.0592 -0.6990 C 0 0 0
- 1.4586 -0.5273 0.0000 H 0 0 0
- 1.1204 0.8462 0.0000 H 0 0 0
- -0.9234 -1.7875 0.0000 H 0 0 0
- -1.3575 1.9537 0.0000 H 0 0 0
- 2.9009 -1.9362 0.0000 H 0 0 0
- 2.8406 2.1984 0.0000 H 0 0 0
- -0.9943 -0.6384 0.0000 H 0 0 0
- -0.7353 -2.0038 0.0000 H 0 0 0
- 0.6301 -1.7448 0.0000 H 0 0 0
- -3.1947 -1.8400 0.0000 H 0 0 0
- -3.6283 1.9007 0.0000 H 0 0 0
- 3.9506 -0.5052 0.0000 H 0 0 0
- 3.9351 0.7906 0.0000 H 0 0 0
- -4.5859 -0.0534 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 13 16 1 0
- 10 15 1 0
- 14 16 2 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.1747 0.0040 -0.0007 C 0 0 0
- -1.4309 0.4770 0.0004 O 0 0 0
- 0.9903 0.9600 0.0015 C 0 0 0
- 0.0220 -1.1881 0.0016 O 0 0 0
- -2.5534 -0.4441 -0.0017 C 0 0 0
- 2.5332 0.0271 -0.0006 Cl 0 0 0
- -3.8626 0.3476 0.0001 C 0 0 0
- 1.6681 1.8386 0.0000 H 0 0 0
- 0.1939 1.7328 0.0000 H 0 0 0
- -3.2312 -1.3227 0.0000 H 0 0 0
- -1.7571 -1.2169 0.0000 H 0 0 0
- -3.2884 1.2971 0.0000 H 0 0 0
- -4.8121 0.9218 0.0000 H 0 0 0
- -4.4368 -0.6019 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-583-78-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.6222 0.9198 0.0019 C 0 0 0
- -1.2260 -0.3302 0.0006 C 0 0 0
- 0.7611 1.0192 0.0017 C 0 0 0
- -1.3855 2.0444 -0.0022 O 0 0 0
- -0.4476 -1.4728 -0.0010 C 0 0 0
- -2.9573 -0.4586 0.0003 Cl 0 0 0
- 1.5354 -0.1263 0.0002 C 0 0 0
- 0.9310 -1.3713 -0.0012 C 0 0 0
- 3.2670 -0.0028 -0.0001 Cl 0 0 0
- 1.2148 1.9528 0.0000 H 0 0 0
- -1.9684 2.9032 0.0000 H 0 0 0
- -0.8987 -2.4076 0.0000 H 0 0 0
- 1.5138 -2.2302 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25082-33-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.2956 -0.0514 -0.0020 C 0 0 0
- -1.7326 -0.3544 -0.0017 C 0 0 0
- 0.1227 1.3522 0.0003 C 0 0 0
- 0.6476 -1.0650 0.0013 C 0 0 0
- -2.6617 0.7096 0.0009 C 0 0 0
- -2.2061 -1.6658 -0.0033 C 0 0 0
- 1.4744 1.6771 -0.0005 C 0 0 0
- -0.8947 2.4023 0.0028 C 0 0 0
- 2.0085 -0.7439 0.0014 C 0 0 0
- -2.2064 2.0929 0.0031 C 0 0 0
- -4.0286 0.3902 0.0017 C 0 0 0
- -3.5020 -1.8983 -0.0025 N 0 0 0
- 2.4305 0.6586 -0.0033 C 0 0 0
- 2.9955 -1.7496 0.0055 C 0 0 0
- -4.3974 -0.9246 -0.0001 C 0 0 0
- 3.8096 0.9515 -0.0036 C 0 0 0
- 4.3087 -1.4000 0.0062 C 0 0 0
- 4.7107 -0.0653 -0.0060 C 0 0 0
- 0.3432 -2.0675 0.0000 H 0 0 0
- -1.5304 -2.4665 0.0000 H 0 0 0
- 1.7745 2.6809 0.0000 H 0 0 0
- -0.6003 3.4078 0.0000 H 0 0 0
- -2.9146 2.8650 0.0000 H 0 0 0
- -4.7530 1.1471 0.0000 H 0 0 0
- 2.7188 -2.7601 0.0000 H 0 0 0
- -5.4163 -1.1686 0.0000 H 0 0 0
- 4.1374 1.9466 0.0000 H 0 0 0
- 5.0375 -2.1527 0.0000 H 0 0 0
- 5.7340 0.1596 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1120-71-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.5526 -0.0954 0.0653 S 0 0 0
- 0.7398 -1.2750 0.6202 C 0 0 0
- 0.2880 0.9418 -0.7093 O 0 0 0
- -1.3798 -0.6553 -0.9454 O 0 0 0
- -1.0762 0.6619 1.1477 O 0 0 0
- 2.0120 -0.6078 0.0243 C 0 0 0
- 1.6116 0.8739 -0.1435 C 0 0 0
- -0.0163 -1.9315 0.0000 H 0 0 0
- 1.3044 -2.1020 0.0000 H 0 0 0
- 2.4111 -1.5261 0.0000 H 0 0 0
- 2.9570 -0.2768 0.0000 H 0 0 0
- 2.6003 1.0323 0.0000 H 0 0 0
- 1.5578 1.8737 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 7 1 0
- 2 8 1 0
- 2 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4543-63-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 1.7099 -0.1024 -0.0560 C 0 0 0
- 0.4872 0.3774 -0.3581 N 0 0 0
- 2.7766 0.7214 -0.0587 N 0 0 0
- 1.8499 -1.2779 0.2240 O 0 0 0
- -0.4768 -0.3671 -0.3557 O 0 0 0
- 4.1056 0.1999 0.2698 C 0 0 0
- -1.6950 0.1125 -0.0547 C 0 0 0
- -2.7617 -0.7113 -0.0520 N 0 0 0
- -1.8353 1.2894 0.2153 O 0 0 0
- -4.0903 -0.1884 0.2763 C 0 0 0
- 0.3479 1.3526 0.0000 H 0 0 0
- 2.6373 1.6966 0.0000 H 0 0 0
- 3.7458 -0.7171 0.0000 H 0 0 0
- 5.0226 -0.1599 0.0000 H 0 0 0
- 4.4654 1.1169 0.0000 H 0 0 0
- -2.6229 -1.6866 0.0000 H 0 0 0
- -3.7295 0.7283 0.0000 H 0 0 0
- -5.0070 0.1724 0.0000 H 0 0 0
- -4.4511 -1.1051 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74339-99-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 44 1 V2000
- 0.3079 0.0118 0.0024 C 0 0 0
- -0.8222 -0.7889 0.0009 C 0 0 0
- -0.0477 1.4219 0.0038 C 0 0 0
- 1.6269 -0.4578 -0.0028 C 0 0 0
- -1.9870 0.1126 -0.0008 C 0 0 0
- -0.6079 -2.1840 0.0016 C 0 0 0
- -1.5250 1.4516 0.0017 C 0 0 0
- 0.9606 2.3368 0.0057 C 0 0 0
- 2.6875 0.5584 -0.0015 C 0 0 0
- 1.8376 -1.8264 -0.0082 C 0 0 0
- -3.3604 -0.1347 -0.0048 C 0 0 0
- 0.7232 -2.6871 0.0018 C 0 0 0
- -1.6864 -3.0818 0.0026 C 0 0 0
- -2.4439 2.4954 0.0017 C 0 0 0
- 2.3183 1.9260 0.0049 C 0 0 0
- 4.0342 0.2011 -0.0093 C 0 0 0
- -4.2556 0.9118 -0.0059 C 0 0 0
- 0.9211 -4.0835 0.0019 C 0 0 0
- -1.4520 -4.4224 0.0031 C 0 0 0
- -3.8023 2.2264 -0.0014 C 0 0 0
- 3.3328 2.8985 0.0064 C 0 0 0
- 5.0018 1.1810 -0.0072 C 0 0 0
- -0.1493 -4.9204 0.0025 C 0 0 0
- -4.6955 3.2507 -0.0016 O 0 0 0
- 4.6431 2.5231 0.0028 C 0 0 0
- 0.7307 3.3575 0.0000 H 0 0 0
- 2.8092 -2.2147 0.0000 H 0 0 0
- -3.7118 -1.1202 0.0000 H 0 0 0
- -2.6686 -2.7213 0.0000 H 0 0 0
- -2.1081 3.4863 0.0000 H 0 0 0
- 4.3094 -0.8083 0.0000 H 0 0 0
- -5.2835 0.7165 0.0000 H 0 0 0
- 1.8915 -4.4747 0.0000 H 0 0 0
- -2.2594 -5.0879 0.0000 H 0 0 0
- 3.0814 3.9142 0.0000 H 0 0 0
- 6.0132 0.9131 0.0000 H 0 0 0
- 0.0062 -5.9551 0.0000 H 0 0 0
- -5.3832 4.0393 0.0000 H 0 0 0
- 5.3895 3.2563 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 2 0
- 20 24 1 0
- 21 25 2 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 20 1 0
- 19 23 1 0
- 22 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
- 25 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55256-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 56 1 V2000
- 3.0125 0.1677 -0.1146 C 0 0 0
- 2.2945 -0.9756 0.1664 C 0 0 0
- 4.4998 0.4288 -0.2264 C 0 0 1
- 2.3584 1.3705 -0.3661 C 0 0 0
- 0.8957 -0.9234 0.1847 C 0 0 0
- 2.9386 -2.1419 0.4227 O 0 0 0
- 4.5275 1.8159 -0.9421 C 0 0 1
- 5.0400 0.7865 1.1456 C 0 0 0
- 0.9685 1.4181 -0.3342 C 0 0 0
- 3.2493 2.3714 -0.6016 O 0 0 0
- 0.2155 0.2844 -0.0380 C 0 0 0
- 0.0950 -2.1417 0.4161 C 0 0 0
- 3.2250 -2.7421 -0.8421 C 0 0 0
- 5.5407 2.5064 -0.1857 O 0 0 0
- 5.5978 1.9739 1.0553 C 0 0 0
- -1.1145 0.4065 0.0351 O 0 0 0
- -1.3338 -1.9982 0.0611 C 0 0 0
- 0.5683 -3.1724 0.8600 O 0 0 0
- -1.8408 -0.7043 -0.1239 C 0 0 0
- -2.1501 -3.1232 -0.0877 C 0 0 0
- -3.1831 -0.5736 -0.4907 C 0 0 0
- -3.4785 -2.9591 -0.4460 C 0 0 0
- -1.6457 -4.3659 0.1175 O 0 0 0
- -3.9806 -1.6852 -0.6485 C 0 0 0
- -3.7639 0.7986 -0.7164 C 0 0 0
- -4.3338 1.3338 0.5987 C 0 0 0
- -4.9234 2.7269 0.3696 C 0 0 0
- -5.4933 3.2621 1.6847 C 0 0 0
- -3.8268 3.6687 -0.1318 C 0 0 0
- -5.9661 2.6485 -0.6045 O 0 0 0
- 4.8763 -0.5156 0.0000 H 0 0 0
- 5.4215 1.3318 0.0000 H 0 0 0
- 5.8093 0.1219 0.0000 H 0 0 0
- 0.5034 2.3221 0.0000 H 0 0 0
- 2.3075 -3.1799 0.0000 H 0 0 0
- 3.6628 -3.6596 0.0000 H 0 0 0
- 4.1425 -2.3043 0.0000 H 0 0 0
- 6.6004 1.8057 0.0000 H 0 0 0
- -4.1011 -3.7628 0.0000 H 0 0 0
- -1.2634 -5.3079 0.0000 H 0 0 0
- -4.9895 -1.5600 0.0000 H 0 0 0
- -2.7474 0.8145 0.0000 H 0 0 0
- -3.3970 1.7467 0.0000 H 0 0 0
- -5.3503 1.3180 0.0000 H 0 0 0
- -4.7007 0.3857 0.0000 H 0 0 0
- -4.7973 4.0032 0.0000 H 0 0 0
- -6.2344 3.9581 0.0000 H 0 0 0
- -6.1893 2.5210 0.0000 H 0 0 0
- -3.1644 2.8975 0.0000 H 0 0 0
- -3.0556 4.3311 0.0000 H 0 0 0
- -4.4892 4.4399 0.0000 H 0 0 0
- -6.9799 2.5723 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 11 16 1 0
- 12 17 1 0
- 12 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 2 0
- 20 23 1 0
- 21 24 2 0
- 21 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 27 29 1 0
- 27 30 1 0
- 7 10 1 0
- 9 11 1 0
- 14 15 1 0
- 17 19 2 0
- 22 24 1 0
- 3 31 1 0
- 7 32 1 0
- 8 33 1 0
- 9 34 1 0
- 13 35 1 0
- 13 36 1 0
- 13 37 1 0
- 15 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 26 44 1 0
- 26 45 1 0
- 28 46 1 0
- 28 47 1 0
- 28 48 1 0
- 29 49 1 0
- 29 50 1 0
- 29 51 1 0
- 30 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13177-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 1.5318 -0.0610 0.0157 C 0 0 0
- 0.2550 -0.7735 0.0109 C 0 0 0
- 1.3512 1.2193 -0.0036 C 0 0 0
- 2.8168 -0.7492 0.0452 C 0 0 0
- -0.7480 0.3020 -0.0143 C 0 0 0
- 0.3010 -2.0823 0.0290 C 0 0 0
- -0.1000 1.4611 -0.0232 C 0 0 0
- 2.5703 2.0502 -0.0004 C 0 0 0
- 2.7657 -2.2209 0.0693 C 0 0 0
- 3.9011 -0.0116 0.0474 C 0 0 0
- -2.2188 0.2808 -0.0287 C 0 0 0
- 1.5819 -2.8070 0.0536 C 0 0 0
- -0.8723 2.7174 -0.0492 C 0 0 0
- 3.7522 1.4603 0.0216 C 0 0 0
- -2.9003 1.4054 -0.0508 C 0 0 0
- -2.8754 -0.9045 -0.0188 N 0 3 0
- -2.1859 2.6935 -0.0622 C 0 0 0
- -2.5463 -1.7894 -0.7883 O 0 0 0
- -3.7946 -1.0850 0.7596 O 0 5 0
- -0.6007 -2.6296 0.0000 H 0 0 0
- 2.4990 3.1025 0.0000 H 0 0 0
- 3.6521 -2.7926 0.0000 H 0 0 0
- 4.8570 -0.4573 0.0000 H 0 0 0
- 1.5528 -3.8614 0.0000 H 0 0 0
- -0.3660 3.6427 0.0000 H 0 0 0
- 4.6201 2.0596 0.0000 H 0 0 0
- -3.9549 1.3851 0.0000 H 0 0 0
- -2.7294 3.5975 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 11 16 1 0
- 13 17 2 0
- 16 18 2 0
- 16 19 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 15 17 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111901-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.9485 -0.2093 0.0888 C 0 0 0
- -1.8374 -1.3256 0.5410 C 0 0 1
- 0.4291 -0.4056 -0.0989 C 0 0 0
- -1.4732 1.0207 -0.1949 C 0 0 0
- -3.2479 -0.9663 0.9690 C 0 0 2
- -2.9624 -1.5381 -0.3079 O 0 0 0
- 1.2707 0.7369 -0.1258 C 0 0 0
- 1.0284 -1.6608 -0.3403 C 0 0 0
- -2.9595 1.2389 -0.2138 C 0 0 2
- -0.6432 2.1203 -0.4086 C 0 0 0
- -3.6302 0.4963 0.9248 C 0 0 1
- 2.7149 0.5604 0.0340 C 0 0 0
- 0.7113 1.9992 -0.3249 C 0 0 0
- 2.3653 -1.8373 -0.2174 C 0 0 0
- 0.2290 -2.8409 -0.8295 C 0 0 0
- -3.5021 0.8284 -1.4675 O 0 0 0
- -5.0500 0.6226 0.8186 O 0 0 0
- 3.2357 -0.7536 0.0298 C 0 0 0
- 3.5783 1.6458 0.1903 C 0 0 0
- 4.6065 -0.9475 0.2443 C 0 0 0
- 4.9146 1.4256 0.3686 C 0 0 0
- 5.4244 0.1330 0.4038 C 0 0 0
- -1.2999 -2.2173 0.0000 H 0 0 0
- -4.2225 -1.3325 0.0000 H 0 0 0
- -3.2180 2.2474 0.0000 H 0 0 0
- -1.0654 3.0720 0.0000 H 0 0 0
- -4.0103 1.4656 0.0000 H 0 0 0
- 1.3174 2.8457 0.0000 H 0 0 0
- 2.7529 -2.8036 0.0000 H 0 0 0
- -0.6330 -2.2570 0.0000 H 0 0 0
- -0.3549 -3.7029 0.0000 H 0 0 0
- 1.0910 -3.4248 0.0000 H 0 0 0
- -4.3324 0.2002 0.0000 H 0 0 0
- -6.0871 0.7149 0.0000 H 0 0 0
- 3.2040 2.6173 0.0000 H 0 0 0
- 5.0035 -1.9100 0.0000 H 0 0 0
- 5.5686 2.2357 0.0000 H 0 0 0
- 6.4559 -0.0083 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 12 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 18 1 0
- 21 22 1 0
- 2 23 1 0
- 5 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-580-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.2840 0.6531 -0.0028 C 0 0 0
- -0.4945 -0.7486 -0.0009 C 0 0 0
- 1.0327 1.1468 -0.0024 C 0 0 0
- -1.3886 1.5212 0.0007 C 0 0 0
- 0.5502 -1.5823 0.0017 N 0 0 0
- -1.8117 -1.2409 -0.0014 C 0 0 0
- 2.0690 0.2323 -0.0001 C 0 0 0
- -2.6488 1.0066 0.0059 C 0 0 0
- 1.7825 -1.1382 0.0026 C 0 0 0
- -2.8582 -0.3713 -0.0036 C 0 0 0
- 3.3945 0.6728 0.0001 N 0 0 0
- 1.2223 2.1759 0.0000 H 0 0 0
- -1.2434 2.5575 0.0000 H 0 0 0
- -1.9865 -2.2726 0.0000 H 0 0 0
- -3.4710 1.6539 0.0000 H 0 0 0
- 2.5723 -1.8247 0.0000 H 0 0 0
- -3.8363 -0.7432 0.0000 H 0 0 0
- 4.1768 -0.0222 0.0000 H 0 0 0
- 3.6052 1.6978 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112965-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 73 1 V2000
- -0.0631 -1.8565 -1.2229 C 0 0 2
- -0.9772 -2.2687 -0.0343 C 0 0 1
- 1.3390 -1.9671 -0.7026 C 0 0 0
- -0.5744 -0.4441 -1.5158 C 0 0 0
- -2.3611 -1.8394 -0.4961 C 0 0 2
- -0.7374 -3.7361 0.2329 C 0 0 0
- -0.5845 -1.4665 1.2079 C 0 0 0
- 2.1790 -0.9323 -0.6879 C 0 0 0
- 1.7341 -3.3454 -0.1919 C 0 0 0
- -2.1170 -0.6089 -1.4085 C 0 0 0
- -3.2244 -1.4477 0.7048 C 0 0 1
- 0.6901 -3.8789 0.7872 C 0 0 0
- 3.5379 -1.0994 -0.1675 C 0 0 0
- -4.4287 -0.6775 0.2279 C 0 0 0
- -3.6836 -2.7105 1.4365 C 0 0 0
- 4.3880 -0.0521 -0.1527 C 0 0 0
- -4.6275 0.5495 0.6415 C 0 0 0
- 4.3846 0.9636 -1.2261 C 0 0 0
- 5.3885 0.1433 0.9690 C 0 0 0
- -5.8318 1.3197 0.1645 C 0 0 2
- 4.4952 2.4126 -0.7955 C 0 0 2
- 4.2895 0.6220 -2.5110 C 0 0 0
- 5.3291 1.6065 1.4193 C 0 0 2
- -5.3726 2.5808 -0.5700 C 0 0 0
- -6.6365 1.6883 1.2864 O 0 0 0
- 5.6225 2.5249 0.2359 C 0 0 0
- 3.2626 2.8360 -0.2094 O 0 0 0
- 6.3013 1.8283 2.4429 O 0 0 0
- -6.5953 3.3627 -1.0543 C 0 0 0
- -5.8428 3.8179 0.1977 C 0 0 0
- 0.1084 -2.8413 0.0000 H 0 0 0
- 0.3898 -0.1803 0.0000 H 0 0 0
- -0.7600 0.5381 0.0000 H 0 0 0
- -2.7164 -2.7737 0.0000 H 0 0 0
- -1.7342 -3.8108 0.0000 H 0 0 0
- -0.7499 -4.7356 0.0000 H 0 0 0
- 0.3133 -1.9060 0.0000 H 0 0 0
- -0.1450 -0.5687 0.0000 H 0 0 0
- -1.4823 -1.0270 0.0000 H 0 0 0
- 1.8052 -0.0052 0.0000 H 0 0 0
- 2.1307 -4.2630 0.0000 H 0 0 0
- 2.6753 -3.0087 0.0000 H 0 0 0
- -2.1227 0.3907 0.0000 H 0 0 0
- -3.1121 -0.5140 0.0000 H 0 0 0
- -2.7474 -0.5692 0.0000 H 0 0 0
- 0.2710 -4.7864 0.0000 H 0 0 0
- 1.4109 -4.5715 0.0000 H 0 0 0
- 3.9117 -2.0265 0.0000 H 0 0 0
- -5.2642 -1.2263 0.0000 H 0 0 0
- -4.6230 -2.3689 0.0000 H 0 0 0
- -4.0252 -3.6499 0.0000 H 0 0 0
- -2.7442 -3.0521 0.0000 H 0 0 0
- -3.7920 1.0983 0.0000 H 0 0 0
- 5.5301 -0.8462 0.0000 H 0 0 0
- 6.3839 0.2345 0.0000 H 0 0 0
- -6.3104 0.4421 0.0000 H 0 0 0
- 4.6107 3.4055 0.0000 H 0 0 0
- 3.3215 0.3727 0.0000 H 0 0 0
- 4.9894 -0.0917 0.0000 H 0 0 0
- 4.3385 1.7404 0.0000 H 0 0 0
- -4.3730 2.5878 0.0000 H 0 0 0
- -7.5453 2.1046 0.0000 H 0 0 0
- 6.6072 2.3528 0.0000 H 0 0 0
- 5.6594 3.5238 0.0000 H 0 0 0
- 2.3172 3.1607 0.0000 H 0 0 0
- 7.2759 2.0506 0.0000 H 0 0 0
- -7.2367 4.1294 0.0000 H 0 0 0
- -7.2556 2.6122 0.0000 H 0 0 0
- -4.9315 4.2287 0.0000 H 0 0 0
- -6.3077 4.7028 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 11 14 1 0
- 11 15 1 0
- 13 16 2 0
- 14 17 2 0
- 16 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 18 22 2 0
- 19 23 1 0
- 20 24 1 0
- 20 25 1 0
- 21 26 1 0
- 21 27 1 0
- 23 28 1 0
- 24 29 1 0
- 24 30 1 0
- 5 10 1 0
- 9 12 1 0
- 23 26 1 0
- 29 30 1 0
- 1 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 6 35 1 0
- 6 36 1 0
- 7 37 1 0
- 7 38 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 9 42 1 0
- 10 43 1 0
- 10 44 1 0
- 11 45 1 0
- 12 46 1 0
- 12 47 1 0
- 13 48 1 0
- 14 49 1 0
- 15 50 1 0
- 15 51 1 0
- 15 52 1 0
- 17 53 1 0
- 19 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 22 59 1 0
- 23 60 1 0
- 24 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 27 65 1 0
- 28 66 1 0
- 29 67 1 0
- 29 68 1 0
- 30 69 1 0
- 30 70 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2498-76-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.0984 0.1197 -0.0020 C 0 0 0
- -1.5594 -0.0443 -0.0012 C 0 0 0
- 0.4550 1.4750 -0.0005 C 0 0 0
- 0.7409 -0.9817 0.0016 C 0 0 0
- -2.3818 1.1017 0.0011 C 0 0 0
- -2.1390 -1.3141 -0.0022 C 0 0 0
- 1.8319 1.6668 -0.0007 C 0 0 0
- -0.4564 2.6182 0.0018 C 0 0 0
- 2.1267 -0.7950 0.0007 C 0 0 0
- -1.7903 2.4359 0.0020 C 0 0 0
- -3.7749 0.9432 0.0019 C 0 0 0
- -3.5101 -1.4370 -0.0009 C 0 0 0
- 2.6838 0.5596 -0.0024 C 0 0 0
- 3.0106 -1.8924 0.0049 C 0 0 0
- -4.3192 -0.3080 0.0004 C 0 0 0
- -4.1381 -2.8069 -0.0019 C 0 0 0
- 4.0849 0.7162 -0.0027 C 0 0 0
- 4.3516 -1.6729 0.0044 C 0 0 0
- 4.8822 -0.3839 -0.0043 C 0 0 0
- 0.3396 -1.9501 0.0000 H 0 0 0
- -1.5334 -2.1697 0.0000 H 0 0 0
- 2.2288 2.6370 0.0000 H 0 0 0
- -0.0667 3.5913 0.0000 H 0 0 0
- -2.4202 3.2738 0.0000 H 0 0 0
- -4.3983 1.7859 0.0000 H 0 0 0
- 2.6362 -2.8715 0.0000 H 0 0 0
- -5.3616 -0.4186 0.0000 H 0 0 0
- -5.0910 -2.3701 0.0000 H 0 0 0
- -4.5749 -3.7598 0.0000 H 0 0 0
- -3.1852 -3.2437 0.0000 H 0 0 0
- 4.5087 1.6750 0.0000 H 0 0 0
- 5.0036 -2.4937 0.0000 H 0 0 0
- 5.9231 -0.2602 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 17 19 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5910-89-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5564 0.6919 0.0019 C 0 0 0
- -0.5565 -0.6919 0.0007 C 0 0 0
- 0.5878 1.3525 0.0014 N 0 0 0
- -1.8615 1.4455 -0.0027 C 0 0 0
- 0.5878 -1.3525 -0.0008 N 0 0 0
- -1.8615 -1.4455 0.0008 C 0 0 0
- 1.7323 0.6917 -0.0001 C 0 0 0
- 1.7323 -0.6917 -0.0013 C 0 0 0
- -1.3543 2.3239 0.0000 H 0 0 0
- -2.7399 1.9527 0.0000 H 0 0 0
- -2.3687 0.5671 0.0000 H 0 0 0
- -2.3688 -0.5671 0.0000 H 0 0 0
- -2.7399 -1.9528 0.0000 H 0 0 0
- -1.3542 -2.3239 0.0000 H 0 0 0
- 2.6108 1.1989 0.0000 H 0 0 0
- 2.6108 -1.1989 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 8 2 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-41-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 1.0053 -0.2391 -0.1306 C 0 0 0
- -0.1893 0.1420 0.7461 C 0 0 0
- 0.3487 1.1340 -0.2871 C 0 0 0
- 2.2772 -0.0999 0.6654 C 0 0 0
- -1.4354 -0.5148 0.2104 C 0 0 0
- 1.1189 2.3488 0.2343 C 0 0 0
- -0.4940 1.3754 -1.5410 C 0 0 0
- 3.4229 -0.4516 0.1363 C 0 0 0
- -2.6380 0.0308 0.4507 O 0 0 0
- -1.3519 -1.5326 -0.4354 O 0 0 0
- 4.6949 -0.3124 0.9324 C 0 0 0
- 3.4688 -0.9953 -1.2684 C 0 0 0
- -3.8386 -0.6021 -0.0655 C 0 0 0
- -5.0640 0.2157 0.3475 C 0 0 0
- 0.9096 -1.1940 0.0000 H 0 0 0
- -0.8638 0.8246 0.0000 H 0 0 0
- 2.3677 0.8555 0.0000 H 0 0 0
- 1.9294 1.8349 0.0000 H 0 0 0
- 1.6328 3.1593 0.0000 H 0 0 0
- 0.3084 2.8627 0.0000 H 0 0 0
- -0.2297 2.2980 0.0000 H 0 0 0
- -1.4166 1.6397 0.0000 H 0 0 0
- -0.7583 0.4528 0.0000 H 0 0 0
- 4.7993 -1.2664 0.0000 H 0 0 0
- 5.6489 -0.2080 0.0000 H 0 0 0
- 4.5905 0.6416 0.0000 H 0 0 0
- 2.5125 -1.0760 0.0000 H 0 0 0
- 3.5495 -1.9516 0.0000 H 0 0 0
- 4.4251 -0.9146 0.0000 H 0 0 0
- -4.4957 -1.3015 0.0000 H 0 0 0
- -3.2572 -1.3656 0.0000 H 0 0 0
- -4.5313 1.0139 0.0000 H 0 0 0
- -5.8622 0.7484 0.0000 H 0 0 0
- -5.5967 -0.5825 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 2 3 1 0
- 1 15 1 0
- 2 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-604-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 1.4627 -3.8689 0.3751 Cl 0 0 0
- 0.3057 -2.6374 -0.0231 C 0 0 0
- 0.5835 -1.3176 0.2517 C 0 0 0
- -0.8953 -2.9828 -0.6229 C 0 0 0
- -0.3433 -0.3129 -0.0665 C 0 0 0
- -1.8144 -2.0075 -0.9405 C 0 0 0
- 0.0184 1.0760 0.2572 C 0 0 0
- -1.5513 -0.6639 -0.6654 C 0 0 0
- -0.7892 1.9536 0.7378 N 0 0 0
- 1.4181 1.4945 0.0115 C 0 0 0
- -2.5232 0.2602 -1.0180 N 0 0 0
- -2.1923 1.6445 1.0104 C 0 0 0
- 1.9130 1.5531 -1.2909 C 0 0 0
- 2.2447 1.8372 1.0817 C 0 0 0
- -2.8790 1.3140 -0.2867 C 0 0 0
- -2.2703 0.5214 1.8904 O 0 0 0
- 3.2177 1.9437 -1.5134 C 0 0 0
- 3.5473 2.2261 0.8465 C 0 0 0
- -3.7802 2.0261 -0.6762 O 0 0 0
- 4.0342 2.2767 -0.4477 C 0 0 0
- 1.5228 -1.0588 0.0000 H 0 0 0
- -1.1528 -3.9224 0.0000 H 0 0 0
- -2.7504 -2.2779 0.0000 H 0 0 0
- -3.3444 -0.2640 0.0000 H 0 0 0
- -2.5105 2.5654 0.0000 H 0 0 0
- 2.1107 0.5991 0.0000 H 0 0 0
- 1.9183 2.7552 0.0000 H 0 0 0
- -2.3378 -0.4505 0.0000 H 0 0 0
- 3.5418 1.0249 0.0000 H 0 0 0
- 3.3568 3.1816 0.0000 H 0 0 0
- 4.9793 2.5134 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 1 0
- 8 5 2 0
- 9 7 2 0
- 10 7 1 0
- 11 8 1 0
- 12 9 1 0
- 13 10 2 0
- 14 10 1 0
- 15 11 1 0
- 16 12 1 0
- 17 13 1 0
- 18 14 2 0
- 19 15 2 0
- 20 17 2 0
- 6 8 1 0
- 12 15 1 0
- 18 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74-97-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- -0.6629 -0.9597 0.0000 C 0 0 0
- -2.0622 0.1773 0.0000 Cl 0 0 0
- 1.0146 0.0656 0.0000 Br 0 0 0
- -1.6725 -1.9488 0.0000 H 0 0 0
- 0.2058 -2.0746 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3083-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 0.2013 0.0010 0.0952 C 0 0 0
- -0.8535 0.0059 1.2035 C 0 0 0
- 1.6328 -0.9546 0.6321 Cl 0 0 0
- -0.4940 -0.7428 -1.3929 Cl 0 0 0
- 0.7080 1.6945 -0.2598 Cl 0 0 0
- -2.0682 0.8168 0.7478 C 0 0 0
- -2.0499 -0.6119 0.7251 O 0 0 0
- -0.6029 -1.0360 0.0000 H 0 0 0
- -1.6626 1.8087 0.0000 H 0 0 0
- -3.1210 1.0167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 6 7 1 0
- 2 8 1 0
- 6 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-35-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.9329 0.0000 -0.6840 C 0 0 0
- -0.7194 0.0000 0.0648 S 0 0 0
- 1.9928 0.0000 0.4194 C 0 0 0
- -1.6469 0.0000 -1.1419 O 0 0 0
- -1.0122 -1.2434 0.6872 O 0 0 0
- -1.0122 1.2434 0.6872 O 0 0 0
- 3.3308 0.0000 -0.1869 N 0 0 0
- 1.4119 0.8297 0.0000 H 0 0 0
- 0.4539 0.8297 0.0000 H 0 0 0
- 2.4718 0.8297 0.0000 H 0 0 0
- 1.5138 0.8297 0.0000 H 0 0 0
- -2.6050 0.0000 0.0000 H 0 0 0
- 3.8098 -0.8297 0.0000 H 0 0 0
- 3.8098 0.8297 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 2 6 2 0
- 3 7 1 0
- 1 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23491-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 61 1 V2000
- 0.7834 0.2192 0.1595 C 0 0 0
- -0.6322 0.6451 0.1372 C 0 0 0
- 1.7618 0.8206 -0.4726 N 0 0 0
- 1.2701 -0.8588 0.8479 N 0 0 0
- -1.6415 -0.3081 0.0668 C 0 0 0
- -0.9521 2.0074 0.1928 C 0 0 0
- 2.9264 0.1687 -0.2363 C 0 0 0
- 2.6323 -0.9143 0.6104 C 0 0 0
- -2.9757 0.1030 0.0461 C 0 0 0
- -2.2555 2.4140 0.1729 C 0 0 0
- 4.2449 0.3787 -0.6535 C 0 0 0
- 3.6457 -1.7664 1.0267 C 0 0 0
- -3.2784 1.4765 0.0969 C 0 0 0
- -4.1540 -0.5651 -0.0168 N 0 0 0
- 5.2416 -0.4809 -0.2328 C 0 0 0
- 4.9405 -1.5523 0.6065 C 0 0 0
- -4.6555 1.5682 0.0612 N 0 0 0
- -5.1459 0.2917 -0.0082 C 0 0 0
- 6.5612 -0.2728 -0.6489 N 0 0 0
- -6.5787 -0.0663 -0.0658 C 0 0 0
- 7.3682 -1.3380 -0.0412 C 0 0 0
- 6.9996 0.9914 -0.0447 C 0 0 0
- -7.5062 0.6311 0.7110 C 0 0 0
- -7.0091 -1.0987 -0.9011 C 0 0 0
- 8.8468 -1.1046 -0.3533 C 0 0 0
- 8.4782 1.2248 -0.3568 C 0 0 0
- -8.8411 0.2944 0.6546 C 0 0 0
- -8.3460 -1.4296 -0.9520 C 0 0 0
- 9.2852 0.1596 0.2508 N 0 0 0
- -9.2647 -0.7374 -0.1736 C 0 0 0
- 10.6706 0.3781 -0.1861 C 0 0 0
- -10.5812 -1.0667 -0.2261 O 0 0 0
- 0.7087 -1.6906 0.0000 H 0 0 0
- -1.4137 -1.2855 0.0000 H 0 0 0
- -0.2175 2.6911 0.0000 H 0 0 0
- -2.4742 3.3934 0.0000 H 0 0 0
- 4.5192 1.3440 0.0000 H 0 0 0
- 3.3803 -2.7342 0.0000 H 0 0 0
- 5.6100 -2.2999 0.0000 H 0 0 0
- -5.1960 2.4138 0.0000 H 0 0 0
- 6.4801 -1.8053 0.0000 H 0 0 0
- 7.6843 -2.2904 0.0000 H 0 0 0
- 7.0065 1.9949 0.0000 H 0 0 0
- 6.0106 1.1615 0.0000 H 0 0 0
- -7.3080 1.6149 0.0000 H 0 0 0
- -6.3555 -1.8603 0.0000 H 0 0 0
- 8.8399 -2.1081 0.0000 H 0 0 0
- 9.8358 -1.2747 0.0000 H 0 0 0
- 9.3663 1.6921 0.0000 H 0 0 0
- 8.1621 2.1772 0.0000 H 0 0 0
- -9.4984 1.0527 0.0000 H 0 0 0
- -8.5469 -2.4128 0.0000 H 0 0 0
- 10.8269 -0.6132 0.0000 H 0 0 0
- 11.6619 0.5344 0.0000 H 0 0 0
- 10.5143 1.3694 0.0000 H 0 0 0
- -11.5547 -1.3102 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 2 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 22 26 1 0
- 23 27 2 0
- 24 28 1 0
- 25 29 1 0
- 27 30 1 0
- 29 31 1 0
- 30 32 1 0
- 7 8 2 0
- 10 13 1 0
- 15 16 1 0
- 17 18 1 0
- 26 29 1 0
- 28 30 2 0
- 4 33 1 0
- 5 34 1 0
- 6 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 16 39 1 0
- 17 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
- 27 51 1 0
- 28 52 1 0
- 31 53 1 0
- 31 54 1 0
- 31 55 1 0
- 32 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2902-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.1862 -0.8494 -0.3483 C 0 0 0
- -0.8959 0.0788 -0.0109 N 0 3 0
- 1.3640 -0.0682 -0.9342 C 0 0 0
- 0.6396 -1.5847 0.9146 C 0 0 0
- -0.7037 0.9707 0.7960 O 0 0 0
- -1.9876 -0.0414 -0.5373 O 0 5 0
- 1.8321 0.8799 0.0270 O 0 0 0
- -0.4283 -1.3746 0.0000 H 0 0 0
- 1.5542 -0.8539 0.0000 H 0 0 0
- 2.1674 -0.1574 0.0000 H 0 0 0
- -0.0485 -2.0090 0.0000 H 0 0 0
- 1.0639 -2.2728 0.0000 H 0 0 0
- 1.3277 -1.1604 0.0000 H 0 0 0
- 2.1900 1.6047 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 2 0
- 6 2 1 0
- 7 3 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57775-29-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 2.0903 0.6141 0.0389 C 0 0 0
- 2.8232 -0.6647 0.0438 C 0 0 0
- 3.0576 1.6276 -0.0093 C 0 0 0
- 0.7328 0.9446 0.0660 C 0 0 0
- 4.1875 -0.3415 -0.0018 C 0 0 0
- 2.4238 -1.9987 0.0830 C 0 0 0
- 4.3081 1.0366 -0.0331 N 0 0 0
- 2.6510 2.9592 -0.0250 C 0 0 0
- 0.3509 2.2743 0.0511 C 0 0 0
- -0.2074 -0.0352 0.1063 O 0 0 0
- 5.1306 -1.3646 -0.0072 C 0 0 0
- 3.3728 -2.9981 0.0767 C 0 0 0
- 1.3094 3.2739 0.0066 C 0 0 0
- -1.4801 0.6143 0.1256 C 0 0 0
- 4.7216 -2.6802 0.0321 C 0 0 0
- -2.5893 -0.4386 0.1714 C 0 0 0
- -3.9520 0.2568 0.1921 C 0 0 0
- -2.4993 -1.2757 -0.9832 O 0 0 0
- -5.0169 -0.7541 0.2360 N 0 0 0
- -6.2915 -0.0240 0.2539 C 0 0 0
- -6.7691 0.2037 -1.1817 C 0 0 0
- -7.3368 -0.8415 1.0154 C 0 0 0
- 1.4108 -2.2405 0.0000 H 0 0 0
- 5.2114 1.5550 0.0000 H 0 0 0
- 3.3627 3.7195 0.0000 H 0 0 0
- -0.6601 2.5243 0.0000 H 0 0 0
- 6.1466 -1.1356 0.0000 H 0 0 0
- 3.0751 -3.9961 0.0000 H 0 0 0
- 1.0136 4.2725 0.0000 H 0 0 0
- -0.9050 1.4825 0.0000 H 0 0 0
- -2.2778 1.2838 0.0000 H 0 0 0
- 5.4318 -3.4419 0.0000 H 0 0 0
- -1.6118 -0.7978 0.0000 H 0 0 0
- -3.3769 1.1251 0.0000 H 0 0 0
- -4.7497 0.9263 0.0000 H 0 0 0
- -2.3880 -2.3112 0.0000 H 0 0 0
- -4.8926 -1.7881 0.0000 H 0 0 0
- -5.8082 0.8985 0.0000 H 0 0 0
- -6.3209 1.1438 0.0000 H 0 0 0
- -7.7092 0.6519 0.0000 H 0 0 0
- -7.2173 -0.7364 0.0000 H 0 0 0
- -7.9784 -0.0211 0.0000 H 0 0 0
- -8.1572 -1.4831 0.0000 H 0 0 0
- -6.6952 -1.6619 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 14 16 1 0
- 16 17 1 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 5 7 1 0
- 9 13 1 0
- 12 15 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-818-61-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 1.0264 -0.1222 0.0213 C 0 0 0
- -0.2662 0.1768 0.2597 O 0 0 0
- 2.0600 0.9111 0.1747 C 0 0 0
- 1.3376 -1.2476 -0.3157 O 0 0 0
- -1.2874 -0.8441 0.1081 C 0 0 0
- 3.3361 0.6159 -0.0607 C 0 0 0
- -2.6576 -0.2476 0.4364 C 0 0 0
- -2.9312 0.8358 -0.4543 O 0 0 0
- 1.7860 1.8677 0.0000 H 0 0 0
- -1.7952 -1.6998 0.0000 H 0 0 0
- -0.5017 -1.4546 0.0000 H 0 0 0
- 3.6266 -0.3358 0.0000 H 0 0 0
- 4.0150 1.3433 0.0000 H 0 0 0
- -3.6523 -0.2755 0.0000 H 0 0 0
- -2.8468 -1.2245 0.0000 H 0 0 0
- -3.1748 1.8006 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2160-93-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 0.0910 -0.0577 -0.0551 N 0 0 0
- 1.5346 -0.2254 0.1585 C 0 0 0
- -0.0705 1.0729 -0.9790 C 0 0 0
- -0.3722 -1.2554 -0.7685 C 0 0 0
- 2.0857 0.9945 0.8994 C 0 0 0
- 1.7840 -1.4839 0.9921 C 0 0 0
- 2.2378 -0.3616 -1.1935 C 0 0 0
- -1.2949 1.8944 -0.5706 C 0 0 0
- -1.2730 -2.0810 0.1523 C 0 0 0
- -1.0446 2.5308 0.6842 O 0 0 0
- -2.5116 -1.3953 0.3468 O 0 0 0
- 0.8871 0.9745 0.0000 H 0 0 0
- 0.2566 1.9783 0.0000 H 0 0 0
- -0.0227 -2.1524 0.0000 H 0 0 0
- 0.5905 -1.2542 0.0000 H 0 0 0
- 2.9630 0.5982 0.0000 H 0 0 0
- 2.4820 1.8718 0.0000 H 0 0 0
- 1.2084 1.3908 0.0000 H 0 0 0
- 0.8397 -1.6710 0.0000 H 0 0 0
- 1.9711 -2.4282 0.0000 H 0 0 0
- 2.7283 -1.2968 0.0000 H 0 0 0
- 2.0547 -1.3067 0.0000 H 0 0 0
- 3.1829 -0.5447 0.0000 H 0 0 0
- 2.4209 0.5835 0.0000 H 0 0 0
- -2.1631 2.3104 0.0000 H 0 0 0
- -1.7723 1.0584 0.0000 H 0 0 0
- -1.8271 -2.8682 0.0000 H 0 0 0
- -0.5500 -2.7166 0.0000 H 0 0 0
- -0.6922 3.4267 0.0000 H 0 0 0
- -3.3538 -0.9290 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 8 10 1 0
- 9 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64431-93-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 48 1 V2000
- -1.9803 0.0594 0.0084 C 0 0 0
- -1.8303 -1.3333 -0.1494 C 0 0 0
- -0.7143 0.6032 0.0698 N 0 0 0
- -3.2522 0.6083 0.0760 C 0 0 0
- -0.4387 -1.5952 -0.1794 C 0 0 0
- -2.9639 -2.1522 -0.2423 C 0 0 0
- 0.2095 -0.4104 -0.0453 C 0 0 0
- -4.3666 -0.2206 -0.0126 C 0 0 0
- -4.2085 -1.6024 -0.1802 C 0 0 0
- 1.6765 -0.2361 -0.0259 C 0 0 0
- -5.7243 0.3614 0.0591 C 0 0 0
- 2.4810 -1.1589 0.6477 C 0 0 0
- 2.2600 0.8481 -0.6857 C 0 0 0
- -6.7629 -0.0711 -0.7254 N 0 0 0
- -6.0365 1.3184 0.8708 N 0 0 0
- 3.8473 -0.9961 0.6655 C 0 0 0
- 3.6268 1.0101 -0.6673 C 0 0 0
- -7.9569 0.7234 -0.3920 C 0 0 0
- -7.4516 1.6785 0.7074 C 0 0 0
- 4.4299 0.0911 0.0107 C 0 0 0
- 5.8989 0.2659 0.0306 C 0 0 0
- 6.6136 0.6895 -1.0606 N 0 0 0
- 6.6191 0.0378 1.0796 N 0 0 0
- 8.0364 0.7507 -0.6866 C 0 0 0
- 8.0349 0.3011 0.7880 C 0 0 0
- -0.4961 1.6121 0.0000 H 0 0 0
- -3.3717 1.6336 0.0000 H 0 0 0
- 0.0029 -2.5282 0.0000 H 0 0 0
- -2.8559 -3.1788 0.0000 H 0 0 0
- -5.0399 -2.2142 0.0000 H 0 0 0
- 2.1100 -2.1222 0.0000 H 0 0 0
- 1.6792 1.7015 0.0000 H 0 0 0
- -6.8621 -1.0986 0.0000 H 0 0 0
- 4.4291 -1.8488 0.0000 H 0 0 0
- 3.9975 1.9735 0.0000 H 0 0 0
- -8.8527 1.2364 0.0000 H 0 0 0
- -8.4996 -0.1547 0.0000 H 0 0 0
- -7.1187 2.6556 0.0000 H 0 0 0
- -8.3994 2.0876 0.0000 H 0 0 0
- 6.3194 1.6790 0.0000 H 0 0 0
- 9.0686 0.7632 0.0000 H 0 0 0
- 8.0080 1.7826 0.0000 H 0 0 0
- 8.1600 -0.7236 0.0000 H 0 0 0
- 9.0654 0.3620 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 11 15 2 0
- 12 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 1 0
- 23 25 1 0
- 5 7 2 0
- 8 9 2 0
- 17 20 2 0
- 18 19 1 0
- 24 25 1 0
- 3 26 1 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 9 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 22 40 1 0
- 24 41 1 0
- 24 42 1 0
- 25 43 1 0
- 25 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-528-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.7413 0.4495 0.0080 C 0 0 0
- -1.1405 -0.8902 -0.0413 C 0 0 0
- 0.6006 0.7646 0.0348 C 0 0 0
- -1.7569 1.5262 0.0253 N 0 3 0
- -0.1734 -1.8999 -0.0631 C 0 0 0
- -2.5708 -1.2352 -0.0706 C 0 0 0
- 1.5519 -0.2408 0.0130 C 0 0 0
- -1.6470 2.4790 -0.7254 O 0 0 0
- -2.7023 1.4594 0.7903 O 0 5 0
- 1.1650 -1.5685 -0.0358 C 0 0 0
- -2.9134 -2.3975 -0.1134 O 0 0 0
- 2.9905 0.1062 0.0415 N 0 3 0
- 3.8302 -0.7758 0.0224 O 0 0 0
- 3.3346 1.2738 0.0840 O 0 5 0
- 0.8979 1.7567 0.0000 H 0 0 0
- -0.4617 -2.8946 0.0000 H 0 0 0
- -3.2846 -0.4848 0.0000 H 0 0 0
- 1.8822 -2.3156 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 2 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71-36-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.1337 -0.3464 0.0000 C 0 0 0
- -1.3863 0.5322 0.0000 C 0 0 0
- 1.1121 0.5417 0.0000 C 0 0 0
- -2.6322 -0.3559 0.0000 C 0 0 0
- 2.2820 -0.2789 0.0000 O 0 0 0
- -0.8946 -1.2053 0.0000 H 0 0 0
- 0.6337 -1.1995 0.0000 H 0 0 0
- -0.6254 1.3911 0.0000 H 0 0 0
- -2.1537 1.3853 0.0000 H 0 0 0
- 1.8730 1.4006 0.0000 H 0 0 0
- 0.3447 1.3948 0.0000 H 0 0 0
- -3.2983 0.5785 0.0000 H 0 0 0
- -3.5666 -1.0220 0.0000 H 0 0 0
- -1.9661 -1.2903 0.0000 H 0 0 0
- 3.2214 -0.9378 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-482-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.3903 0.5068 -0.4565 C 0 0 0
- 0.6420 -0.8312 -0.1866 C 0 0 0
- 1.3810 1.4587 -0.2408 C 0 0 0
- -0.8243 0.8866 -0.9376 O 0 0 0
- 1.9027 -1.2252 0.3064 C 0 0 0
- -0.3171 -1.7627 -0.3934 O 0 0 0
- 2.6394 1.0619 0.2517 C 0 0 0
- 1.4234 2.7972 -0.4079 O 0 0 0
- -1.6456 1.1748 0.1957 C 0 0 0
- 2.9000 -0.2748 0.5245 C 0 0 0
- 2.1455 -2.6444 0.5848 C 0 0 0
- -0.0992 -3.0619 -0.1401 C 0 0 0
- 3.4264 2.2984 0.3581 C 0 0 0
- 2.6248 3.2878 -0.0556 C 0 0 0
- -3.0128 1.6039 -0.2710 C 0 0 0
- 1.1389 -3.5248 0.3544 C 0 0 0
- -0.9937 -3.8633 -0.3418 O 0 0 0
- -4.0842 1.1090 0.2976 C 0 0 0
- -5.0621 0.2991 -0.5141 C 0 0 0
- -4.3389 1.3495 1.7633 C 0 0 0
- -0.9011 1.8289 0.0000 H 0 0 0
- -1.8506 2.1444 0.0000 H 0 0 0
- 3.8442 -0.5757 0.0000 H 0 0 0
- 3.0793 -2.9762 0.0000 H 0 0 0
- 4.4158 2.3549 0.0000 H 0 0 0
- 2.8710 4.2477 0.0000 H 0 0 0
- -3.0765 2.5928 0.0000 H 0 0 0
- 1.3167 -4.4997 0.0000 H 0 0 0
- -5.6942 1.0623 0.0000 H 0 0 0
- -5.8253 -0.3330 0.0000 H 0 0 0
- -4.4300 -0.4641 0.0000 H 0 0 0
- -3.6585 2.0700 0.0000 H 0 0 0
- -5.0594 2.0299 0.0000 H 0 0 0
- -5.0193 0.6290 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 2 0
- 15 18 2 0
- 18 19 1 0
- 18 20 1 0
- 7 10 1 0
- 12 16 1 0
- 13 14 2 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36536-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.0780 -0.0420 0.5203 C 0 0 0
- -0.1525 -1.1300 -0.0617 C 0 0 0
- -0.0913 0.8914 -0.0352 O 0 0 0
- -2.3653 0.0268 -0.3037 C 0 0 0
- 0.9040 -0.0363 -0.0470 C 0 0 0
- 2.1118 -0.0046 -0.0458 O 0 0 0
- -1.4296 0.9150 0.0000 H 0 0 0
- -0.9071 -1.8156 0.0000 H 0 0 0
- 0.5573 -1.8619 0.0000 H 0 0 0
- -2.3109 1.0449 0.0000 H 0 0 0
- -3.3834 0.0812 0.0000 H 0 0 0
- -2.4197 -0.9913 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 2 0
- 3 5 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-478-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.3068 0.4115 0.1072 C 0 0 0
- -0.1393 -0.9864 0.0549 C 0 0 0
- 0.8681 1.2969 0.0798 C 0 0 0
- -1.5956 0.9528 0.1912 C 0 0 0
- 1.2181 -1.5657 -0.0278 C 0 0 0
- -1.2528 -1.8157 0.0816 C 0 0 0
- 2.2267 0.7194 -0.0028 C 0 0 0
- 0.7218 2.5031 0.1246 O 0 0 0
- -2.6986 0.1090 0.2223 C 0 0 0
- -1.7663 2.2969 0.2425 O 0 0 0
- 2.3971 -0.6753 -0.0552 C 0 0 0
- 1.3641 -2.7712 -0.0726 O 0 0 0
- -2.5301 -1.2648 0.1600 C 0 0 0
- 3.3422 1.5510 -0.0286 C 0 0 0
- -4.0857 0.6911 0.3127 C 0 0 0
- 3.6798 -1.2109 -0.1334 C 0 0 0
- -3.6154 -2.0792 0.1855 O 0 0 0
- 4.6102 1.0022 -0.1056 C 0 0 0
- -4.5941 0.9170 -1.0035 O 0 0 0
- 4.7779 -0.3696 -0.1590 C 0 0 0
- -1.1317 -2.8507 0.0000 H 0 0 0
- -1.8976 3.3306 0.0000 H 0 0 0
- 3.2215 2.5860 0.0000 H 0 0 0
- -4.9240 0.0721 0.0000 H 0 0 0
- -3.9616 -0.3435 0.0000 H 0 0 0
- 3.8140 -2.2443 0.0000 H 0 0 0
- -4.4489 -2.7046 0.0000 H 0 0 0
- 5.4448 1.6262 0.0000 H 0 0 0
- -5.5464 1.3401 0.0000 H 0 0 0
- 5.7386 -0.7732 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 7 11 2 0
- 9 13 1 0
- 18 20 1 0
- 6 21 1 0
- 10 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-159092-76-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.2703 0.1548 0.0135 C 0 0 0
- 0.2816 -0.9269 -0.0164 C 0 0 0
- 0.8130 1.4918 0.0326 C 0 0 0
- 2.6414 -0.1079 0.0291 C 0 0 0
- -1.0915 -0.5915 -0.0249 C 0 0 0
- 0.6660 -2.2685 -0.0369 C 0 0 0
- -0.5753 1.7618 0.0232 C 0 0 0
- 1.7502 2.5343 0.0612 C 0 0 0
- 3.5291 0.9297 0.0574 C 0 0 0
- 3.1308 -1.5048 0.0155 N 0 3 0
- -1.4848 0.7670 -0.0052 C 0 0 0
- -2.0455 -1.6180 -0.0535 C 0 0 0
- -0.2881 -3.2459 -0.0650 C 0 0 0
- -1.0398 3.1672 0.0440 N 0 3 0
- 3.0834 2.2462 0.0702 C 0 0 0
- 3.3127 -2.0966 1.0644 O 0 0 0
- 3.3517 -2.0624 -1.0446 O 0 5 0
- -1.6388 -2.9202 -0.0725 C 0 0 0
- -3.4891 -1.2904 -0.0624 N 0 3 0
- -1.9051 3.5110 0.8292 O 0 0 0
- -0.5567 3.9797 -0.7241 O 0 5 0
- -4.2500 -1.8713 0.6907 O 0 0 0
- -3.9159 -0.4400 -0.8227 O 0 5 0
- 1.6768 -2.5235 0.0000 H 0 0 0
- 1.4294 3.5261 0.0000 H 0 0 0
- 4.5526 0.7322 0.0000 H 0 0 0
- -2.4999 1.0041 0.0000 H 0 0 0
- 0.0004 -4.2476 0.0000 H 0 0 0
- 3.7775 3.0240 0.0000 H 0 0 0
- -2.3511 -3.6813 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 10 16 2 0
- 10 17 1 0
- 12 18 1 0
- 12 19 1 0
- 14 20 2 0
- 14 21 1 0
- 19 22 2 0
- 19 23 1 0
- 7 11 2 0
- 9 15 1 0
- 13 18 2 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 13 28 1 0
- 15 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24140-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 52 1 V2000
- -1.5971 0.9279 0.0997 C 0 0 0
- -2.9499 0.7597 0.1700 N 0 0 0
- -1.0584 2.2118 -0.0415 C 0 0 0
- -0.7492 -0.1834 0.1748 C 0 0 0
- -3.4947 -0.3403 -0.2738 C 0 0 0
- 0.2941 2.3808 -0.1113 C 0 0 0
- 0.6031 -0.0161 0.1051 C 0 0 0
- -4.9514 -0.5214 -0.1981 C 0 0 0
- 1.1432 1.2687 -0.0416 C 0 0 0
- -5.5382 -1.7002 -0.6734 C 0 0 0
- -5.7559 0.4817 0.3545 C 0 0 0
- 2.5986 1.4497 -0.1167 C 0 0 0
- -6.9028 -1.8648 -0.6002 C 0 0 0
- -7.1199 0.3071 0.4229 C 0 0 0
- 3.4175 0.3765 -0.0495 C 0 0 0
- -7.6981 -0.8628 -0.0556 C 0 0 0
- 4.8227 0.5512 -0.1220 C 0 0 0
- -9.0434 -1.0301 0.0142 O 0 0 0
- 5.6402 -0.5202 -0.0548 O 0 0 0
- 5.2913 1.6671 -0.2447 O 0 0 0
- -9.5761 0.1530 0.6131 C 0 0 0
- 6.9774 -0.0263 -0.1543 C 0 0 0
- 7.9599 -1.1970 -0.0845 C 0 0 0
- 9.3917 -0.6683 -0.1911 C 0 0 0
- 7.7851 -1.9309 1.2466 C 0 0 0
- 10.3742 -1.8390 -0.1213 C 0 0 0
- -1.6763 3.0264 0.0000 H 0 0 0
- -1.1454 -1.1259 0.0000 H 0 0 0
- -2.9029 -1.1740 0.0000 H 0 0 0
- 0.6896 3.3236 0.0000 H 0 0 0
- 1.2202 -0.8313 0.0000 H 0 0 0
- -4.9487 -2.5356 0.0000 H 0 0 0
- -5.3731 1.4297 0.0000 H 0 0 0
- 2.9945 2.3923 0.0000 H 0 0 0
- -7.2914 -2.8105 0.0000 H 0 0 0
- -7.7136 1.1395 0.0000 H 0 0 0
- 3.0216 -0.5661 0.0000 H 0 0 0
- -8.6438 0.5728 0.0000 H 0 0 0
- -9.9959 1.0853 0.0000 H 0 0 0
- -10.5084 -0.2668 0.0000 H 0 0 0
- 7.8307 0.5369 0.0000 H 0 0 0
- 6.5156 0.8859 0.0000 H 0 0 0
- 6.9649 -1.4323 0.0000 H 0 0 0
- 10.2450 -0.1051 0.0000 H 0 0 0
- 8.9300 0.2439 0.0000 H 0 0 0
- 6.7905 -1.6940 0.0000 H 0 0 0
- 7.5482 -2.9255 0.0000 H 0 0 0
- 8.7797 -2.1678 0.0000 H 0 0 0
- 9.5910 -2.4963 0.0000 H 0 0 0
- 11.0315 -2.6222 0.0000 H 0 0 0
- 11.1574 -1.1817 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 24 26 1 0
- 7 9 1 0
- 14 16 2 0
- 3 27 1 0
- 4 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 10 32 1 0
- 11 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 21 38 1 0
- 21 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 24 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
- 26 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.2042 0.7334 -0.0028 C 0 0 0
- -1.2042 -0.7333 -0.0016 C 0 0 0
- -0.0002 1.4347 -0.0028 C 0 0 0
- -2.4424 1.4115 0.0018 C 0 0 0
- -0.0002 -1.4346 0.0001 C 0 0 0
- -2.4424 -1.4115 -0.0017 C 0 0 0
- 1.2045 0.7334 -0.0016 C 0 0 0
- -3.5969 0.6976 0.0073 C 0 0 0
- 1.2045 -0.7333 0.0007 C 0 0 0
- -3.5969 -0.6977 -0.0030 C 0 0 0
- 2.4422 1.4113 -0.0010 C 0 0 0
- 2.4421 -1.4114 0.0020 C 0 0 0
- 3.5971 0.6974 0.0006 C 0 0 0
- 3.5970 -0.6975 0.0020 C 0 0 0
- -0.0003 2.4805 0.0000 H 0 0 0
- -2.4700 2.4570 0.0000 H 0 0 0
- -0.0003 -2.4804 0.0000 H 0 0 0
- -2.4699 -2.4570 0.0000 H 0 0 0
- -4.5104 1.2068 0.0000 H 0 0 0
- -4.5104 -1.2069 0.0000 H 0 0 0
- 2.4697 2.4568 0.0000 H 0 0 0
- 2.4695 -2.4569 0.0000 H 0 0 0
- 4.5106 1.2066 0.0000 H 0 0 0
- 4.5104 -1.2068 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 7 9 1 0
- 8 10 1 0
- 13 14 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1421-63-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 0.1475 0.0664 0.2406 C 0 0 0
- -0.3617 -1.2379 0.1149 C 0 0 0
- 1.5776 0.2782 0.4759 C 0 0 0
- -0.7189 1.1640 0.1340 C 0 0 0
- -1.7141 -1.4301 -0.1073 C 0 0 0
- 0.4703 -2.3052 0.2106 O 0 0 0
- 2.5544 0.1622 -0.6658 C 0 0 0
- 1.9759 0.5471 1.5902 O 0 0 0
- -2.0624 0.9584 -0.0930 C 0 0 0
- -2.5648 -0.3397 -0.2057 C 0 0 0
- 3.9714 0.4279 -0.1536 C 0 0 0
- -2.9036 2.0228 -0.1965 O 0 0 0
- -3.8904 -0.5346 -0.4237 O 0 0 0
- 4.9631 0.3101 -1.3127 C 0 0 0
- -0.3443 2.1148 0.0000 H 0 0 0
- -2.0965 -2.3778 0.0000 H 0 0 0
- 1.0986 -3.1112 0.0000 H 0 0 0
- 2.0285 -0.7140 0.0000 H 0 0 0
- 3.1380 -0.6767 0.0000 H 0 0 0
- 4.4974 1.3041 0.0000 H 0 0 0
- 3.3879 1.2668 0.0000 H 0 0 0
- -3.5372 2.8246 0.0000 H 0 0 0
- -4.9015 -0.6833 0.0000 H 0 0 0
- 4.8426 -0.7047 0.0000 H 0 0 0
- 5.9779 0.1896 0.0000 H 0 0 0
- 5.0836 1.3249 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 9 10 2 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-155798-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 68 1 V2000
- 6.1935 -1.0189 0.0736 C 0 0 0
- 5.5476 0.0741 -0.5380 C 0 0 0
- 7.2144 -0.7794 1.0306 C 0 0 0
- 5.8373 -2.3402 -0.2463 C 0 0 0
- 5.9537 1.3699 -0.1631 C 0 0 0
- 4.5523 -0.1183 -1.4718 N 0 0 0
- 7.5657 0.4639 1.3548 N 0 0 0
- 7.8528 -1.8815 1.6352 C 0 0 0
- 6.4774 -3.3764 0.3601 C 0 0 0
- 6.9832 1.5264 0.8023 C 0 0 0
- 5.3546 2.5077 -0.7304 C 0 0 0
- 3.2803 -0.1285 -0.7370 C 0 0 0
- 7.4852 -3.1454 1.2964 C 0 0 0
- 7.3804 2.8288 1.1688 C 0 0 0
- 5.7665 3.7471 -0.3492 C 0 0 0
- 2.1259 -0.3392 -1.7188 C 0 0 0
- 6.7780 3.9052 0.5981 C 0 0 0
- 0.8011 -0.3499 -0.9535 C 0 0 0
- -0.3533 -0.5606 -1.9353 C 0 0 0
- -1.6781 -0.5712 -1.1700 C 0 0 0
- -2.7563 -0.7680 -2.0869 O 0 0 0
- -3.9013 -0.7684 -1.3531 C 0 0 0
- -5.1262 -0.9413 -1.9800 C 0 0 0
- -3.8429 -0.6016 0.0228 C 0 0 0
- -6.2896 -0.9422 -1.2354 C 0 0 0
- -5.0050 -0.6023 0.7688 C 0 0 0
- -6.2324 -0.7700 0.1411 C 0 0 0
- -7.4106 -0.7704 0.8962 N 0 0 0
- -8.0193 0.4980 1.3046 C 0 0 0
- -8.0353 -2.0392 1.2784 C 0 0 0
- -8.8251 1.0755 0.1392 C 0 0 0
- -7.2826 -2.6407 2.4669 C 0 0 0
- -9.5742 2.6366 0.6417 Cl 0 0 0
- 4.9276 -2.4730 0.0000 H 0 0 0
- 4.6436 -1.0331 0.0000 H 0 0 0
- 8.7654 -1.7705 0.0000 H 0 0 0
- 6.1227 -4.2245 0.0000 H 0 0 0
- 4.4384 2.4325 0.0000 H 0 0 0
- 3.6868 0.6960 0.0000 H 0 0 0
- 2.7264 0.6052 0.0000 H 0 0 0
- 8.1162 -3.8139 0.0000 H 0 0 0
- 8.2944 2.9271 0.0000 H 0 0 0
- 5.1725 4.4487 0.0000 H 0 0 0
- 1.7194 -1.1637 0.0000 H 0 0 0
- 2.6798 -1.0729 0.0000 H 0 0 0
- 7.1802 4.7319 0.0000 H 0 0 0
- 1.2076 0.4746 0.0000 H 0 0 0
- 0.2472 0.3838 0.0000 H 0 0 0
- -0.7598 -1.3851 0.0000 H 0 0 0
- 0.2006 -1.2943 0.0000 H 0 0 0
- -1.2716 0.2533 0.0000 H 0 0 0
- -2.2320 0.1625 0.0000 H 0 0 0
- -5.0614 -1.8583 0.0000 H 0 0 0
- -3.0933 -0.0695 0.0000 H 0 0 0
- -7.0349 -1.4804 0.0000 H 0 0 0
- -5.0676 0.3149 0.0000 H 0 0 0
- -7.1038 0.5816 0.0000 H 0 0 0
- -7.7782 1.3851 0.0000 H 0 0 0
- -8.8286 -1.5747 0.0000 H 0 0 0
- -8.5559 -2.7969 0.0000 H 0 0 0
- -9.7406 0.9920 0.0000 H 0 0 0
- -9.0662 0.1884 0.0000 H 0 0 0
- -7.8565 -3.3589 0.0000 H 0 0 0
- -6.5644 -3.2146 0.0000 H 0 0 0
- -6.7087 -1.9225 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 2 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 24 26 2 0
- 25 27 2 0
- 27 28 1 0
- 28 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 31 33 1 0
- 7 10 2 0
- 9 13 1 0
- 15 17 1 0
- 26 27 1 0
- 4 34 1 0
- 6 35 1 0
- 8 36 1 0
- 9 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 14 42 1 0
- 15 43 1 0
- 16 44 1 0
- 16 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 23 53 1 0
- 24 54 1 0
- 25 55 1 0
- 26 56 1 0
- 29 57 1 0
- 29 58 1 0
- 30 59 1 0
- 30 60 1 0
- 31 61 1 0
- 31 62 1 0
- 32 63 1 0
- 32 64 1 0
- 32 65 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77191-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 2.0957 -0.0102 0.4299 C 0 0 0
- 0.9145 0.0222 1.1794 N 0 0 0
- 2.7611 1.1711 0.1283 C 0 0 0
- 2.6081 -1.2238 -0.0090 C 0 0 0
- -0.2755 0.1367 0.5572 C 0 0 0
- 3.9265 1.1357 -0.6116 C 0 0 0
- 2.2116 2.4899 0.6076 C 0 0 0
- 3.7743 -1.2523 -0.7487 C 0 0 0
- 1.8929 -2.5084 0.3217 C 0 0 0
- -1.5476 0.1715 1.3644 C 0 0 0
- -0.3226 0.2116 -0.6525 O 0 0 0
- 4.4312 -0.0742 -1.0522 C 0 0 0
- -2.6949 0.2999 0.4624 N 0 0 0
- -3.3608 -0.7392 -0.0703 C 0 0 0
- -3.2687 1.5794 0.0293 C 0 0 0
- -4.4788 -0.2401 -0.9590 C 0 0 0
- -3.1026 -1.9068 0.1317 O 0 0 0
- -4.1302 1.2466 -1.2091 C 0 0 0
- 0.8575 -0.9017 0.0000 H 0 0 0
- 4.4514 1.8981 0.0000 H 0 0 0
- 3.0660 2.8459 0.0000 H 0 0 0
- 1.8556 3.3443 0.0000 H 0 0 0
- 1.3572 2.1339 0.0000 H 0 0 0
- 4.2333 -2.0561 0.0000 H 0 0 0
- 1.0842 -2.0581 0.0000 H 0 0 0
- 1.4426 -3.3171 0.0000 H 0 0 0
- 2.7016 -2.9587 0.0000 H 0 0 0
- -2.0756 -0.5888 0.0000 H 0 0 0
- -1.1299 -0.6545 0.0000 H 0 0 0
- 5.3553 -0.1267 0.0000 H 0 0 0
- -2.4176 1.9432 0.0000 H 0 0 0
- -3.6174 2.4368 0.0000 H 0 0 0
- -5.3648 0.0277 0.0000 H 0 0 0
- -4.8020 -1.1075 0.0000 H 0 0 0
- -4.2859 2.1590 0.0000 H 0 0 0
- -5.0554 1.2750 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 10 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 8 12 2 0
- 16 18 1 0
- 2 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 18 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104485-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 61 63 1 V2000
- 4.9198 0.0078 0.0765 C 0 0 2
- 3.6798 -0.8780 -0.0599 C 0 0 2
- 4.7107 1.2600 -0.6628 N 0 0 0
- 6.1353 -0.7249 -0.4950 C 0 0 0
- 2.5262 -0.1826 0.4824 O 0 0 0
- 3.8975 -2.1821 0.7100 C 0 0 0
- 3.5309 1.9124 -0.0659 C 0 0 0
- 5.8959 2.1065 -0.4084 C 0 0 0
- 6.3530 -2.0290 0.2749 C 0 0 0
- 1.2996 -0.4203 -0.0194 C 0 0 0
- 5.1130 -2.9148 0.1386 C 0 0 0
- 4.0110 3.2363 0.5652 C 0 0 0
- 5.3266 3.5323 -0.2018 C 0 0 0
- 0.2289 0.2252 0.4840 N 0 0 0
- 1.1579 -1.2168 -0.9261 O 0 0 0
- -1.0581 -0.2806 0.2685 C 0 0 0
- -2.1613 0.5530 0.3883 C 0 0 0
- -1.2326 -1.6159 -0.0711 C 0 0 0
- -3.4342 0.0485 0.1742 C 0 0 0
- -2.5032 -2.1152 -0.2838 C 0 0 0
- -3.6030 -1.2883 -0.1593 C 0 0 0
- -4.5165 0.8620 0.2912 O 0 0 0
- -5.6671 0.0610 0.0146 C 0 0 0
- -6.9271 0.9212 0.1299 C 0 0 0
- -8.1590 0.0636 -0.1663 C 0 0 0
- -9.4190 0.9238 -0.0510 C 0 0 0
- -10.6509 0.0662 -0.3471 C 0 0 0
- 5.7733 0.5879 0.0000 H 0 0 0
- 2.8262 -1.4580 0.0000 H 0 0 0
- 7.1647 -0.7976 0.0000 H 0 0 0
- 6.4467 0.2590 0.0000 H 0 0 0
- 2.8681 -2.1094 0.0000 H 0 0 0
- 3.5861 -3.1660 0.0000 H 0 0 0
- 2.5805 2.3146 0.0000 H 0 0 0
- 3.0795 0.9844 0.0000 H 0 0 0
- 6.4266 1.2214 0.0000 H 0 0 0
- 6.8206 2.5646 0.0000 H 0 0 0
- 6.8191 -2.9497 0.0000 H 0 0 0
- 7.3336 -1.7073 0.0000 H 0 0 0
- 4.4653 -3.7182 0.0000 H 0 0 0
- 5.8212 -3.6654 0.0000 H 0 0 0
- 3.9784 4.2678 0.0000 H 0 0 0
- 2.9919 3.3988 0.0000 H 0 0 0
- 6.3039 3.8638 0.0000 H 0 0 0
- 5.0472 4.5257 0.0000 H 0 0 0
- 0.3155 1.2535 0.0000 H 0 0 0
- -2.0225 1.5756 0.0000 H 0 0 0
- -0.4193 -2.2512 0.0000 H 0 0 0
- -2.6422 -3.1378 0.0000 H 0 0 0
- -4.5534 -1.6904 0.0000 H 0 0 0
- -6.3478 -0.7147 0.0000 H 0 0 0
- -4.9794 -0.7085 0.0000 H 0 0 0
- -6.2464 1.6969 0.0000 H 0 0 0
- -7.6148 1.6907 0.0000 H 0 0 0
- -8.8397 -0.7121 0.0000 H 0 0 0
- -7.4713 -0.7059 0.0000 H 0 0 0
- -8.7383 1.6995 0.0000 H 0 0 0
- -10.1067 1.6933 0.0000 H 0 0 0
- -11.2405 0.9132 0.0000 H 0 0 0
- -11.4979 -0.5234 0.0000 H 0 0 0
- -10.0613 -0.7808 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 10 14 1 0
- 10 15 2 0
- 14 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 9 11 1 0
- 12 13 1 0
- 20 21 2 0
- 1 28 1 0
- 2 29 1 0
- 4 30 1 0
- 4 31 1 0
- 6 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 17 47 1 0
- 18 48 1 0
- 20 49 1 0
- 21 50 1 0
- 23 51 1 0
- 23 52 1 0
- 24 53 1 0
- 24 54 1 0
- 25 55 1 0
- 25 56 1 0
- 26 57 1 0
- 26 58 1 0
- 27 59 1 0
- 27 60 1 0
- 27 61 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4463-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.0992 -0.0875 0.0705 C 0 0 0
- 2.5774 0.0172 0.0022 C 0 0 0
- 0.3696 0.8206 0.8365 C 0 0 0
- 0.4371 -1.0904 -0.6357 C 0 0 0
- 3.3614 -1.1346 0.0167 C 0 0 0
- 3.1868 1.2678 -0.0825 C 0 0 0
- -1.0039 0.7216 0.8982 C 0 0 0
- -0.9369 -1.1855 -0.5711 C 0 0 0
- 4.7364 -1.0313 -0.0476 C 0 0 0
- 4.5622 1.3592 -0.1462 C 0 0 0
- -1.6616 -0.2825 0.1973 C 0 0 0
- 5.3360 0.2125 -0.1262 C 0 0 0
- -3.0549 -0.3809 0.2613 N 0 0 0
- -3.8244 0.5300 -0.3669 C 0 0 0
- -3.6575 -1.4376 0.9861 O 0 0 0
- -4.3610 1.7156 0.3929 C 0 0 0
- -4.0849 0.3955 -1.5438 O 0 0 0
- 0.7823 1.7675 0.0000 H 0 0 0
- 0.9577 -1.9825 0.0000 H 0 0 0
- 2.9130 -2.0651 0.0000 H 0 0 0
- 2.6105 2.1250 0.0000 H 0 0 0
- -1.5273 1.6120 0.0000 H 0 0 0
- -1.3512 -2.1317 0.0000 H 0 0 0
- 5.3182 -1.8848 0.0000 H 0 0 0
- 5.0165 2.2868 0.0000 H 0 0 0
- 6.3662 0.2870 0.0000 H 0 0 0
- -4.1692 -2.3348 0.0000 H 0 0 0
- -3.4200 2.1415 0.0000 H 0 0 0
- -4.7869 2.6566 0.0000 H 0 0 0
- -5.3020 1.2897 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 8 11 2 0
- 10 12 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-537-92-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.0725 0.5547 -0.2923 C 0 0 0
- 0.5816 -0.6656 -0.3979 C 0 0 0
- 0.6344 1.6874 0.0904 C 0 0 0
- -1.4397 0.6442 -0.5765 N 0 0 0
- 1.9325 -0.7495 -0.1222 C 0 0 0
- 1.9847 1.5968 0.3647 C 0 0 0
- -2.3148 -0.1565 0.0634 C 0 0 0
- 2.6333 0.3799 0.2586 C 0 0 0
- 2.6431 -2.0735 -0.2360 C 0 0 0
- -3.7690 -0.1515 -0.3320 C 0 0 0
- -1.9320 -0.8810 0.9576 O 0 0 0
- 0.0335 -1.5200 0.0000 H 0 0 0
- 0.1720 2.5911 0.0000 H 0 0 0
- -1.7762 1.6019 0.0000 H 0 0 0
- 2.5360 2.4492 0.0000 H 0 0 0
- 3.6479 0.3466 0.0000 H 0 0 0
- 1.7487 -2.5536 0.0000 H 0 0 0
- 3.1232 -2.9679 0.0000 H 0 0 0
- 3.5375 -1.5934 0.0000 H 0 0 0
- -3.7655 0.8636 0.0000 H 0 0 0
- -4.7841 -0.1480 0.0000 H 0 0 0
- -3.7725 -1.1666 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96918-15-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.1144 -0.2366 -0.0018 C 0 0 0
- -1.4913 0.0528 -0.0014 C 0 0 0
- 0.8184 0.8236 -0.0004 C 0 0 0
- 0.3245 -1.5836 0.0024 C 0 0 0
- -1.9237 1.3992 0.0004 C 0 0 0
- -2.4385 -0.9959 -0.0023 C 0 0 0
- 2.1912 0.5271 -0.0007 C 0 0 0
- 0.3584 2.1604 0.0018 C 0 0 0
- 1.6895 -1.8588 0.0020 C 0 0 0
- -0.6593 -2.6645 0.0074 C 0 0 0
- -0.9652 2.4398 0.0022 C 0 0 0
- -3.2953 1.6724 0.0008 C 0 0 0
- -1.9816 -2.3831 -0.0037 C 0 0 0
- -3.7993 -0.6826 -0.0014 C 0 0 0
- 2.6116 -0.8125 -0.0024 C 0 0 0
- 3.2982 1.2957 0.0004 O 0 0 0
- -4.2086 0.6377 -0.0006 C 0 0 0
- 4.0809 -0.7602 -0.0022 C 0 0 0
- 4.4085 0.5385 -0.0005 C 0 0 0
- 1.0557 2.9495 0.0000 H 0 0 0
- 2.0255 -2.8568 0.0000 H 0 0 0
- -0.3367 -3.6669 0.0000 H 0 0 0
- -1.2856 3.4429 0.0000 H 0 0 0
- -3.6320 2.6701 0.0000 H 0 0 0
- -2.6847 -3.1670 0.0000 H 0 0 0
- -4.5157 -1.4543 0.0000 H 0 0 0
- -5.2382 0.8585 0.0000 H 0 0 0
- 4.7427 -1.5792 0.0000 H 0 0 0
- 5.3930 0.9120 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 18 19 2 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-125974-08-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.1520 0.8233 0.2306 C 0 0 0
- 0.2200 -0.4949 0.0572 C 0 0 0
- 1.5702 1.3206 0.3850 C 0 0 0
- -1.1006 1.6606 0.2607 C 0 0 0
- 1.6230 -0.9204 0.0862 C 0 0 0
- -1.1419 -1.5475 -0.1685 Cl 0 0 0
- 2.4221 0.1456 0.2791 O 0 0 0
- 1.8752 2.2273 -0.6766 O 0 0 0
- -2.5387 0.5996 0.0222 Cl 0 0 0
- 2.0074 -2.0660 -0.0438 O 0 0 0
- 0.7917 2.0892 0.0000 H 0 0 0
- -0.3920 2.4942 0.0000 H 0 0 0
- -1.8471 2.4604 0.0000 H 0 0 0
- 2.2240 3.2642 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 7 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7364-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -2.3016 -1.3376 0.0005 O 0 0 0
- -1.5479 -0.3833 0.0014 C 0 0 0
- -0.0750 -0.4321 0.0005 C 0 0 0
- -1.9036 0.9173 -0.0024 N 0 0 0
- 0.3696 0.9004 0.0016 C 0 0 0
- 0.8502 -1.4739 -0.0008 C 0 0 0
- -0.7535 1.7129 -0.0002 N 0 0 0
- 1.7318 1.1669 0.0011 C 0 0 0
- 2.1995 -1.1896 -0.0009 C 0 0 0
- 2.6376 0.1255 -0.0005 C 0 0 0
- -2.8804 1.2731 0.0000 H 0 0 0
- 0.5247 -2.4613 0.0000 H 0 0 0
- -0.7425 2.7525 0.0000 H 0 0 0
- 2.0695 2.1502 0.0000 H 0 0 0
- 2.8916 -1.9654 0.0000 H 0 0 0
- 3.6571 0.3291 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 2 0
- 5 7 1 0
- 9 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93535-04-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.4245 0.3612 -0.0015 C 0 0 0
- 1.0206 0.8073 -0.0016 C 0 0 0
- 3.4590 1.3020 -0.0020 C 0 0 0
- 2.7261 -1.0039 0.0050 C 0 0 0
- 0.0284 -0.0978 -0.0011 C 0 0 0
- 4.7702 0.8810 -0.0019 C 0 0 0
- 4.0402 -1.4171 0.0051 C 0 0 0
- -1.3761 0.3485 -0.0012 C 0 0 0
- 5.0662 -0.4783 -0.0013 C 0 0 0
- -2.4111 -0.5905 -0.0007 C 0 0 0
- -1.6791 1.7126 0.0039 C 0 0 0
- 6.3956 -0.9007 -0.0017 N 0 0 0
- -3.7240 -0.1648 -0.0008 C 0 0 0
- -2.9959 2.1236 0.0037 C 0 0 0
- -4.0161 1.1892 -0.0016 C 0 0 0
- -5.0119 -1.3288 -0.0007 Cl 0 0 0
- 0.7971 1.8264 0.0000 H 0 0 0
- 3.2378 2.3216 0.0000 H 0 0 0
- 1.9569 -1.7088 0.0000 H 0 0 0
- 0.2519 -1.1169 0.0000 H 0 0 0
- 5.5426 1.5824 0.0000 H 0 0 0
- 4.2661 -2.4357 0.0000 H 0 0 0
- -2.1919 -1.6106 0.0000 H 0 0 0
- -0.9110 2.4188 0.0000 H 0 0 0
- 6.6192 -1.9198 0.0000 H 0 0 0
- 7.1664 -0.1975 0.0000 H 0 0 0
- -3.2231 3.1419 0.0000 H 0 0 0
- -5.0102 1.5059 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 13 16 1 0
- 7 9 2 0
- 14 15 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41934-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -0.5030 0.0844 0.0070 C 0 0 0
- 0.2436 -1.1047 -0.0951 C 0 0 0
- -1.9646 0.0063 0.0020 C 0 0 0
- 0.1524 1.3169 0.1171 C 0 0 0
- 1.6281 -1.0420 -0.0913 C 0 0 0
- -0.3929 -2.2915 -0.1951 O 0 0 0
- -2.5419 -1.2196 -0.1018 C 0 0 0
- -2.8065 1.2517 0.1086 C 0 0 0
- 1.5154 1.3620 0.1251 C 0 0 0
- 2.2618 0.1877 0.0128 C 0 0 0
- -1.7329 -2.3696 -0.1998 C 0 0 0
- -4.1610 0.9027 0.0805 F 0 0 0
- -2.5188 1.9076 1.3103 F 0 0 0
- -2.5213 2.1008 -0.9661 F 0 0 0
- 3.6520 0.2501 0.0171 N 0 0 0
- -2.2633 -3.4621 -0.2920 O 0 0 0
- 4.3713 0.4744 1.2734 C 0 0 0
- 4.3961 0.0914 -1.2348 C 0 0 0
- 4.4563 -0.8388 2.0539 C 0 0 0
- 4.3587 1.4038 -2.0203 C 0 0 0
- -0.3888 2.1848 0.0000 H 0 0 0
- 2.1801 -1.9030 0.0000 H 0 0 0
- -3.5609 -1.3079 0.0000 H 0 0 0
- 1.9929 2.2665 0.0000 H 0 0 0
- 5.3835 0.6210 0.0000 H 0 0 0
- 4.1450 1.4719 0.0000 H 0 0 0
- 4.2629 -0.9227 0.0000 H 0 0 0
- 5.4176 0.0392 0.0000 H 0 0 0
- 3.4356 -0.9049 0.0000 H 0 0 0
- 4.5224 -1.8595 0.0000 H 0 0 0
- 5.4770 -0.7727 0.0000 H 0 0 0
- 5.3811 1.4329 0.0000 H 0 0 0
- 4.3296 2.4262 0.0000 H 0 0 0
- 3.3363 1.3747 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 15 17 1 0
- 15 18 1 0
- 17 19 1 0
- 18 20 1 0
- 7 11 1 0
- 9 10 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 9 24 1 0
- 17 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-535-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.9416 0.9478 -0.1991 C 0 0 0
- -1.4491 -0.2791 -0.0020 O 0 0 0
- 0.5509 1.1427 -0.2739 C 0 0 0
- -1.6814 1.8951 -0.3217 O 0 0 0
- -2.8871 -0.4669 0.0701 C 0 0 0
- 0.9965 2.0988 0.8344 C 0 0 0
- 1.4504 -0.5904 -0.0449 Br 0 0 0
- -3.1972 -1.9476 0.2987 C 0 0 0
- 1.6383 1.1659 0.0000 H 0 0 0
- -2.9064 0.6206 0.0000 H 0 0 0
- -3.9699 -0.3644 0.0000 H 0 0 0
- 1.9823 1.6393 0.0000 H 0 0 0
- 1.4560 3.0846 0.0000 H 0 0 0
- 0.0107 2.5583 0.0000 H 0 0 0
- -4.2618 -1.7247 0.0000 H 0 0 0
- -3.4201 -3.0122 0.0000 H 0 0 0
- -2.1326 -2.1705 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.1331 0.9737 0.0191 C 0 0 0
- -1.4466 -0.4052 0.0319 C 0 0 0
- 0.1676 1.4274 0.0657 C 0 0 0
- -2.7286 1.7399 -0.0701 S 0 0 0
- -2.8777 -0.6573 -0.0240 C 0 0 0
- -0.3630 -1.3095 0.0953 C 0 0 0
- 1.2039 0.5110 0.1269 C 0 0 0
- -3.7086 0.3410 -0.0879 N 0 0 0
- -3.3451 -1.9332 -0.0197 O 0 0 0
- 0.9161 -0.8535 0.1413 C 0 0 0
- 2.4930 0.9386 0.1731 O 0 0 0
- -4.7704 -1.8511 -0.0817 C 0 0 0
- 3.3139 -0.2298 0.2301 C 0 0 0
- 4.7860 0.1834 0.2843 C 0 0 0
- 5.6649 -1.0675 0.3452 C 0 0 0
- 5.4672 -0.3295 -0.8624 O 0 0 0
- 0.3707 2.4598 0.0000 H 0 0 0
- -0.5477 -2.3454 0.0000 H 0 0 0
- 1.7085 -1.5458 0.0000 H 0 0 0
- -4.7099 -0.8006 0.0000 H 0 0 0
- -5.8209 -1.7906 0.0000 H 0 0 0
- -4.8309 -2.9016 0.0000 H 0 0 0
- 2.3903 -0.7338 0.0000 H 0 0 0
- 3.7106 -1.2044 0.0000 H 0 0 0
- 4.9804 1.2175 0.0000 H 0 0 0
- 5.1135 -1.9636 0.0000 H 0 0 0
- 6.7061 -1.2195 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 5 8 2 0
- 7 10 1 0
- 15 16 1 0
- 3 17 1 0
- 6 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5836-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.4634 0.1071 0.0023 C 0 0 0
- -0.2706 -1.0996 0.0007 C 0 0 0
- 1.9265 0.0423 0.0017 C 0 0 0
- -0.2143 1.3353 -0.0012 C 0 0 0
- -1.6714 -1.0631 0.0005 C 0 0 0
- 0.4421 -2.3733 -0.0014 C 0 0 0
- 2.5601 -1.2205 -0.0005 C 0 0 0
- 2.7014 1.2059 0.0026 C 0 0 0
- -1.5883 1.3582 -0.0065 C 0 0 0
- 0.4861 2.4993 0.0010 O 0 0 0
- -2.3309 0.1580 0.0021 C 0 0 0
- -2.6793 -2.1878 -0.0012 C 0 0 0
- 1.7905 -2.4071 -0.0019 C 0 0 0
- 3.9619 -1.2803 -0.0012 C 0 0 0
- 4.0634 1.1131 0.0015 C 0 0 0
- -0.4731 3.5585 -0.0036 C 0 0 0
- -3.7908 -0.0400 0.0015 C 0 0 0
- -4.0633 -1.5244 -0.0005 C 0 0 0
- 4.6904 -0.1276 0.0002 C 0 0 0
- -4.6279 0.8373 0.0026 O 0 0 0
- -0.1015 -3.2743 0.0000 H 0 0 0
- 2.2365 2.1499 0.0000 H 0 0 0
- -2.0928 2.2817 0.0000 H 0 0 0
- -3.2217 -3.0895 0.0000 H 0 0 0
- -1.8328 -2.8129 0.0000 H 0 0 0
- 2.2813 -3.3380 0.0000 H 0 0 0
- 4.4500 -2.2126 0.0000 H 0 0 0
- 4.6449 1.9902 0.0000 H 0 0 0
- 0.3069 4.2649 0.0000 H 0 0 0
- -1.1795 4.3385 0.0000 H 0 0 0
- -1.2531 2.8521 0.0000 H 0 0 0
- -5.0775 -1.2437 0.0000 H 0 0 0
- -4.4325 -2.5098 0.0000 H 0 0 0
- 5.7415 -0.1779 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 17 20 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 17 18 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135086-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -2.9212 -0.5722 -0.0006 C 0 0 0
- -4.3911 -0.5343 -0.0010 C 0 0 0
- -2.4937 0.7547 0.0007 C 0 0 0
- -2.0238 -1.5702 0.0037 N 0 0 0
- -4.7537 0.8235 0.0001 C 0 0 0
- -5.3791 -1.5193 -0.0021 C 0 0 0
- -3.5998 1.5776 0.0011 N 0 0 0
- -1.1031 1.0168 0.0013 C 0 0 0
- -0.7590 -1.3387 0.0029 N 0 0 0
- -6.1037 1.1667 -0.0004 C 0 0 0
- -6.6978 -1.1606 -0.0022 C 0 0 0
- -0.2533 -0.0340 0.0007 N 0 0 0
- -0.6821 2.1618 0.0020 O 0 0 0
- -7.0627 0.1784 -0.0019 C 0 0 0
- 1.1309 0.1825 0.0008 N 0 0 0
- 1.9470 -0.8294 0.0001 C 0 0 0
- 3.4020 -0.6018 0.0002 C 0 0 0
- 4.2820 -1.6888 -0.0005 C 0 0 0
- 3.9080 0.7015 -0.0048 C 0 0 0
- 5.6419 -1.4710 -0.0003 C 0 0 0
- 5.2698 0.9094 -0.0047 C 0 0 0
- 6.1401 -0.1736 0.0004 C 0 0 0
- 7.4817 0.0362 0.0006 O 0 0 0
- 7.6784 1.4516 0.0014 C 0 0 0
- -5.1121 -2.5265 0.0000 H 0 0 0
- -3.5681 2.6191 0.0000 H 0 0 0
- -6.3874 2.1694 0.0000 H 0 0 0
- -7.4344 -1.8976 0.0000 H 0 0 0
- -8.0718 0.4384 0.0000 H 0 0 0
- 1.5717 -1.8015 0.0000 H 0 0 0
- 3.9094 -2.6619 0.0000 H 0 0 0
- 3.2560 1.5144 0.0000 H 0 0 0
- 6.2983 -2.2803 0.0000 H 0 0 0
- 5.6478 1.8805 0.0000 H 0 0 0
- 8.7105 1.3082 0.0000 H 0 0 0
- 7.8218 2.4837 0.0000 H 0 0 0
- 6.6463 1.5950 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 2 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 24 35 1 0
- 24 36 1 0
- 24 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22008-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- -3.2573 -0.1124 -0.8417 C 0 0 0
- -2.6161 -1.4751 -0.8945 C 0 0 0
- -2.8106 0.8946 -1.6771 C 0 0 0
- -4.2957 0.1291 0.0379 C 0 0 0
- -1.5566 -1.5831 0.2040 C 0 0 2
- -3.3987 2.1445 -1.6286 C 0 0 0
- -4.8840 1.3793 0.0864 C 0 0 0
- -0.4383 -0.6891 -0.1065 N 0 0 0
- -1.0577 -3.0030 0.2828 C 0 0 0
- -4.4336 2.3877 -0.7447 C 0 0 0
- 0.2837 -0.1415 0.8911 C 0 0 0
- 0.2009 -3.2511 0.6781 O 0 0 0
- -1.7905 -3.9180 -0.0099 O 0 0 0
- 1.4341 0.7781 0.5717 C 0 0 2
- 0.0078 -0.3889 2.0459 O 0 0 0
- 2.7192 -0.0409 0.4355 C 0 0 0
- 1.5908 1.7569 1.6504 N 0 0 0
- 3.6372 0.6183 -0.5957 C 0 0 0
- 0.9536 2.9426 1.5823 C 0 0 0
- 5.1609 -0.3528 -0.7571 S 0 0 0
- 0.1779 3.1630 0.6764 O 0 0 0
- 6.0319 0.6331 -2.0061 C 0 0 0
- -3.5060 -1.7112 0.0000 H 0 0 0
- -2.5436 -2.3929 0.0000 H 0 0 0
- -1.8900 0.9049 0.0000 H 0 0 0
- -4.8744 -0.5869 0.0000 H 0 0 0
- -1.8167 -0.6999 0.0000 H 0 0 0
- -2.8191 2.8599 0.0000 H 0 0 0
- -5.8046 1.3702 0.0000 H 0 0 0
- -1.0040 0.0373 0.0000 H 0 0 0
- -4.8423 3.2127 0.0000 H 0 0 0
- 1.1042 -3.4292 0.0000 H 0 0 0
- 0.6386 1.2416 0.0000 H 0 0 0
- 2.1301 -0.7484 0.0000 H 0 0 0
- 3.3465 -0.7148 0.0000 H 0 0 0
- 2.4986 1.9101 0.0000 H 0 0 0
- 4.2263 1.3258 0.0000 H 0 0 0
- 3.0099 1.2922 0.0000 H 0 0 0
- 1.5305 3.6601 0.0000 H 0 0 0
- 6.7219 0.0235 0.0000 H 0 0 0
- 6.6415 1.3231 0.0000 H 0 0 0
- 5.3419 1.2427 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 11 14 1 0
- 11 15 2 0
- 14 16 1 0
- 14 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 1 0
- 7 10 2 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 10 31 1 0
- 12 32 1 0
- 14 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96346-61-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 76 1 V2000
- 0.5389 -1.1870 -0.0177 C 0 0 0
- -0.5166 -1.9048 -0.8093 C 0 0 2
- 0.0934 -0.0079 0.8294 C 0 0 2
- 1.8250 -1.5063 -0.0509 C 0 0 0
- -1.7065 -2.2218 0.0994 C 0 0 1
- -0.0206 -3.1981 -1.4380 C 0 0 0
- -1.3799 0.2549 0.4936 C 0 0 0
- 0.9211 1.2065 0.4960 C 0 0 0
- 2.3014 -2.5802 -0.9259 C 0 0 0
- 2.8410 -0.7646 0.7859 C 0 0 0
- -2.2108 -0.9761 0.8307 C 0 0 1
- -2.8753 -2.7282 -0.7729 C 0 0 0
- 1.3805 -3.0451 -2.0268 C 0 0 0
- 1.2289 1.4910 -0.8220 C 0 0 0
- 1.3663 2.0369 1.5079 C 0 0 0
- 3.5267 -3.1149 -0.7437 C 0 0 0
- 3.8070 -1.7833 1.3985 C 0 0 0
- -3.6675 -0.7493 0.3745 C 0 0 2
- -2.1741 -1.2140 2.3416 C 0 0 0
- -3.7517 -1.4699 -0.9944 C 0 0 0
- 1.9871 2.6029 -1.1311 C 0 0 0
- 2.1251 3.1508 1.2058 C 0 0 0
- 4.3353 -2.7010 0.3294 C 0 0 0
- -3.9514 0.7453 0.2116 C 0 0 0
- -4.5804 -1.3320 1.3068 O 0 0 0
- 2.4409 3.4363 -0.1163 C 0 0 0
- 5.4834 -3.0922 0.3949 O 0 0 0
- -5.3996 0.9430 -0.2405 C 0 0 0
- 3.2084 4.5616 -0.4253 N 0 0 0
- -5.6835 2.4376 -0.4034 C 0 0 0
- 3.6860 5.4392 0.6461 C 0 0 0
- 3.5358 4.8642 -1.8208 C 0 0 0
- -7.0361 2.6223 -0.8257 O 0 0 0
- -0.9146 -1.0341 0.0000 H 0 0 0
- 1.0440 -0.1211 0.0000 H 0 0 0
- -1.3921 -3.1260 0.0000 H 0 0 0
- -0.9405 -3.4630 0.0000 H 0 0 0
- 0.1645 -4.1374 0.0000 H 0 0 0
- -1.0828 1.1650 0.0000 H 0 0 0
- -2.2400 0.6753 0.0000 H 0 0 0
- 3.5632 -0.1362 0.0000 H 0 0 0
- 2.2440 -0.0162 0.0000 H 0 0 0
- -3.6955 -3.2219 0.0000 H 0 0 0
- -2.4372 -3.5794 0.0000 H 0 0 0
- 1.1019 -3.9610 0.0000 H 0 0 0
- 2.1132 -3.6613 0.0000 H 0 0 0
- 1.9539 0.8658 0.0000 H 0 0 0
- 0.5477 2.5333 0.0000 H 0 0 0
- 3.5562 -4.0718 0.0000 H 0 0 0
- 4.7615 -1.7091 0.0000 H 0 0 0
- 4.1507 -0.8898 0.0000 H 0 0 0
- -3.1202 -1.3600 0.0000 H 0 0 0
- -2.0281 -2.1601 0.0000 H 0 0 0
- -1.2280 -1.0680 0.0000 H 0 0 0
- -4.6341 -1.0985 0.0000 H 0 0 0
- -4.3540 -2.2141 0.0000 H 0 0 0
- 2.8040 2.1037 0.0000 H 0 0 0
- 1.4034 3.7798 0.0000 H 0 0 0
- -2.9971 0.8217 0.0000 H 0 0 0
- -3.9247 1.7023 0.0000 H 0 0 0
- -5.3874 -1.8471 0.0000 H 0 0 0
- -6.3539 0.8666 0.0000 H 0 0 0
- -5.4263 -0.0140 0.0000 H 0 0 0
- -4.7292 2.5140 0.0000 H 0 0 0
- -5.6568 3.3946 0.0000 H 0 0 0
- 4.5269 4.9816 0.0000 H 0 0 0
- 4.1436 6.2801 0.0000 H 0 0 0
- 2.8451 5.8968 0.0000 H 0 0 0
- 4.1856 4.1612 0.0000 H 0 0 0
- 4.2388 5.5140 0.0000 H 0 0 0
- 2.8860 5.5672 0.0000 H 0 0 0
- -7.9846 2.7518 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 2 0
- 15 22 1 0
- 16 23 1 0
- 18 24 1 0
- 18 25 1 0
- 21 26 1 0
- 23 27 2 0
- 24 28 1 0
- 26 29 1 0
- 28 30 1 0
- 29 31 1 0
- 29 32 1 0
- 30 33 1 0
- 7 11 1 0
- 9 13 1 0
- 17 23 1 0
- 18 20 1 0
- 22 26 2 0
- 2 34 1 0
- 3 35 1 0
- 5 36 1 0
- 6 37 1 0
- 6 38 1 0
- 7 39 1 0
- 7 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 19 52 1 0
- 19 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 28 62 1 0
- 28 63 1 0
- 30 64 1 0
- 30 65 1 0
- 31 66 1 0
- 31 67 1 0
- 31 68 1 0
- 32 69 1 0
- 32 70 1 0
- 32 71 1 0
- 33 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1456-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.8506 -0.4647 -0.2453 N 0 0 0
- -0.3246 -1.3508 -0.1863 C 0 0 0
- 0.6742 0.8560 -0.8733 C 0 0 0
- 1.9892 -0.8292 0.2392 N 0 0 0
- -1.5152 -0.5316 0.3238 C 0 0 0
- -0.6010 1.4884 -0.3051 C 0 0 0
- 2.9459 -0.0778 0.1778 O 0 0 0
- -1.7049 0.6085 -0.5130 O 0 0 0
- -2.7769 -1.3968 0.3006 C 0 0 0
- -0.4225 1.7373 1.1939 C 0 0 0
- -0.9954 -2.1312 0.0000 H 0 0 0
- 0.3794 -2.1013 0.0000 H 0 0 0
- 1.7011 0.7892 0.0000 H 0 0 0
- 0.9414 1.8497 0.0000 H 0 0 0
- -0.6469 0.0207 0.0000 H 0 0 0
- -1.3469 2.1973 0.0000 H 0 0 0
- -3.3589 -0.5481 0.0000 H 0 0 0
- -3.6256 -1.9788 0.0000 H 0 0 0
- -2.1949 -2.2455 0.0000 H 0 0 0
- 0.4137 1.1376 0.0000 H 0 0 0
- 0.1772 2.5735 0.0000 H 0 0 0
- -1.2587 2.3370 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 8 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3029-19-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.0008 -0.3092 -0.0020 C 0 0 0
- -1.2371 0.1080 -0.0014 C 0 0 0
- 1.1105 0.6609 -0.0007 C 0 0 0
- 0.3041 -1.7513 0.0022 C 0 0 0
- -1.5335 1.5530 0.0005 C 0 0 0
- -2.3534 -0.8546 -0.0022 C 0 0 0
- 2.4835 0.1264 -0.0008 C 0 0 0
- 0.8521 1.9469 0.0000 C 0 0 0
- -0.8061 -2.7188 0.0060 C 0 0 0
- 1.5583 -2.1376 0.0021 C 0 0 0
- -0.5487 2.4196 0.0015 C 0 0 0
- -2.9496 1.9597 0.0018 C 0 0 0
- -2.0564 -2.2969 -0.0048 C 0 0 0
- -3.5853 -0.4020 -0.0010 C 0 0 0
- 2.6685 -1.1765 -0.0021 C 0 0 0
- 3.6378 1.0415 0.0000 C 0 0 0
- -3.8862 1.0353 0.0010 C 0 0 0
- 4.7606 0.5971 -0.0001 O 0 0 0
- 1.6788 2.6746 0.0000 H 0 0 0
- -0.5919 -3.7991 0.0000 H 0 0 0
- 1.7851 -3.2153 0.0000 H 0 0 0
- -0.7654 3.4994 0.0000 H 0 0 0
- -3.2216 3.0269 0.0000 H 0 0 0
- -2.8813 -3.0266 0.0000 H 0 0 0
- -4.4187 -1.1220 0.0000 H 0 0 0
- 3.7000 -1.5625 0.0000 H 0 0 0
- 3.4768 2.1310 0.0000 H 0 0 0
- -4.9407 1.3532 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 2 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-48-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.5047 -0.2377 0.1385 C 0 0 0
- -1.8394 -0.7819 0.1240 C 0 0 0
- 0.6798 -1.1090 0.1973 C 0 0 0
- -0.3869 1.1360 0.0890 C 0 0 0
- -2.8593 0.0970 0.0686 C 0 0 0
- 1.6901 -0.9328 -0.6773 N 0 0 0
- 0.7472 -1.9883 1.0352 O 0 0 0
- -2.0317 1.6735 0.0248 S 0 0 0
- -4.3131 -0.1806 0.0420 N 0 3 0
- 2.8428 -0.2447 -0.2848 C 0 0 0
- 1.5808 -1.4619 -2.0390 C 0 0 0
- -5.1081 0.7408 -0.0093 O 0 0 0
- -4.7143 -1.3302 0.0714 O 0 5 0
- 2.9536 1.1192 -0.5215 C 0 0 0
- 3.8768 -0.9230 0.3478 C 0 0 0
- 4.0933 1.7957 -0.1327 C 0 0 0
- 5.0136 -0.2407 0.7340 C 0 0 0
- 5.1232 1.1165 0.4916 C 0 0 0
- -2.0019 -1.7756 0.0000 H 0 0 0
- 0.4527 1.6917 0.0000 H 0 0 0
- 0.5948 -1.2582 0.0000 H 0 0 0
- 1.3771 -2.4479 0.0000 H 0 0 0
- 2.5668 -1.6656 0.0000 H 0 0 0
- 2.0995 1.6524 0.0000 H 0 0 0
- 3.8567 -1.9296 0.0000 H 0 0 0
- 4.1171 2.8023 0.0000 H 0 0 0
- 5.8691 -0.7716 0.0000 H 0 0 0
- 6.0282 1.5577 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 9 12 2 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 5 8 1 0
- 17 18 1 0
- 2 19 1 0
- 4 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26328-53-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.5226 1.4033 0.0741 C 0 0 0
- 0.4218 2.2563 0.0997 N 0 0 0
- 2.0679 1.0049 -1.1417 C 0 0 0
- 2.0832 0.9521 1.2647 C 0 0 0
- -0.8398 1.7428 0.0450 C 0 0 0
- 3.1593 0.1597 -1.1627 C 0 0 0
- 3.1742 0.1073 1.2350 C 0 0 0
- -1.9328 2.6205 -0.0968 C 0 0 0
- -1.0173 0.3478 0.1259 C 0 0 0
- 3.7104 -0.2909 0.0232 C 0 0 0
- -3.1966 2.1481 -0.1550 C 0 0 0
- -2.2523 -0.1969 0.0748 C 0 0 0
- 4.8806 -1.1970 -0.0040 N 0 3 0
- -3.4238 0.6911 -0.0679 C 0 0 0
- 5.3672 -1.5947 1.0393 O 0 0 0
- 5.4342 -1.6014 -1.2429 O 0 5 0
- -4.6323 0.1992 -0.1207 N 0 0 0
- -4.8081 -1.0361 -0.0456 C 0 0 0
- -5.0266 -2.5714 0.0477 S 0 0 0
- 0.5600 3.2638 0.0000 H 0 0 0
- 2.6793 1.8176 0.0000 H 0 0 0
- 1.4530 0.1539 0.0000 H 0 0 0
- 3.7925 0.9554 0.0000 H 0 0 0
- 2.5597 -0.7030 0.0000 H 0 0 0
- -1.7713 3.6246 0.0000 H 0 0 0
- -0.2022 -0.2603 0.0000 H 0 0 0
- -3.9849 2.7906 0.0000 H 0 0 0
- -2.3706 -1.2070 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 2 0
- 18 19 2 0
- 7 10 1 0
- 12 14 2 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129-44-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -1.4256 0.2947 0.0395 C 0 0 0
- -1.0070 -1.0508 0.0387 C 0 0 0
- -0.4295 1.3697 0.1928 C 0 0 0
- -2.7835 0.5970 -0.1111 C 0 0 0
- 0.4295 -1.3700 0.1914 C 0 0 0
- -1.9448 -2.0646 -0.1063 C 0 0 0
- 1.0067 1.0504 0.0375 C 0 0 0
- -0.7837 2.5055 0.4434 O 0 0 0
- -3.7070 -0.4386 -0.2605 C 0 0 0
- -3.2088 1.9164 -0.1116 N 0 0 0
- 1.4252 -0.2948 0.0372 C 0 0 0
- 0.7841 -2.5058 0.4415 O 0 0 0
- -3.2888 -1.7518 -0.2503 C 0 0 0
- 1.9445 2.0646 -0.1085 C 0 0 0
- 2.7840 -0.5967 -0.1100 C 0 0 0
- 3.2879 1.7521 -0.2536 C 0 0 0
- 3.7074 0.4388 -0.2549 C 0 0 0
- 3.2092 -1.9162 -0.1121 N 0 0 0
- -1.6396 -3.0590 0.0000 H 0 0 0
- -4.7243 -0.2218 0.0000 H 0 0 0
- -2.5110 2.6878 0.0000 H 0 0 0
- -4.2257 2.1350 0.0000 H 0 0 0
- -3.9944 -2.5160 0.0000 H 0 0 0
- 1.6391 3.0589 0.0000 H 0 0 0
- 3.9932 2.5166 0.0000 H 0 0 0
- 4.7248 0.2225 0.0000 H 0 0 0
- 2.5113 -2.6875 0.0000 H 0 0 0
- 4.2261 -2.1349 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 7 11 2 0
- 9 13 2 0
- 16 17 1 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-56-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.7736 0.1219 0.0035 C 0 0 0
- 0.0770 -0.9682 0.0031 C 0 0 0
- -0.2593 1.4052 0.0017 C 0 0 0
- -2.2390 -0.0858 -0.0003 N 0 3 0
- 1.4503 -0.7759 0.0008 C 0 0 0
- 1.1087 1.6061 -0.0005 C 0 0 0
- -2.9900 0.8731 0.0001 O 0 0 0
- -2.6940 -1.2156 -0.0038 O 0 5 0
- 1.9691 0.5187 -0.0010 C 0 0 0
- 2.3136 -1.8783 0.0008 N 0 0 0
- 3.3547 0.7198 -0.0029 N 0 0 0
- -0.3131 -1.9322 0.0000 H 0 0 0
- -0.9032 2.2218 0.0000 H 0 0 0
- 1.4923 2.5727 0.0000 H 0 0 0
- 1.9251 -2.8430 0.0000 H 0 0 0
- 3.3433 -1.7324 0.0000 H 0 0 0
- 3.9987 -0.0968 0.0000 H 0 0 0
- 3.7399 1.6858 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 58 1 V2000
- -1.1065 -0.5388 1.0112 C 0 0 0
- -2.1401 0.2959 0.6124 C 0 0 0
- 0.0005 -0.0047 1.8832 C 0 0 0
- -1.0956 -1.8618 0.6128 C 0 0 0
- -3.1578 -0.1989 -0.1906 C 0 0 0
- -2.1562 1.5959 1.0079 O 0 0 0
- 1.1081 0.5344 1.0151 C 0 0 0
- -2.1138 -2.3538 -0.1825 C 0 0 0
- -3.1393 -1.5207 -0.5908 C 0 0 0
- -4.2825 0.7050 -0.6252 C 0 0 0
- 2.1423 -0.2982 0.6122 C 0 0 0
- 1.0916 1.8564 0.6152 C 0 0 0
- -2.0994 -3.7971 -0.6155 C 0 0 0
- -5.2628 -0.0832 -1.4962 C 0 0 0
- -5.0126 1.2400 0.6084 C 0 0 0
- -3.7140 1.8761 -1.4291 C 0 0 0
- 3.1601 0.2010 -0.1872 C 0 0 0
- 2.1583 -1.6004 1.0005 O 0 0 0
- 2.1074 2.3516 -0.1818 C 0 0 0
- 3.1417 1.5254 -0.5802 C 0 0 0
- 4.2852 -0.7004 -0.6262 C 0 0 0
- 2.0869 3.7943 -0.6167 C 0 0 0
- 5.2659 0.0928 -1.4922 C 0 0 0
- 5.0147 -1.2421 0.6048 C 0 0 0
- 3.7172 -1.8671 -1.4369 C 0 0 0
- -0.0706 -0.9786 0.0000 H 0 0 0
- 0.8090 -0.5524 0.0000 H 0 0 0
- -0.2663 -2.3774 0.0000 H 0 0 0
- -2.1683 2.5724 0.0000 H 0 0 0
- -4.0181 -1.9466 0.0000 H 0 0 0
- 0.2603 2.3688 0.0000 H 0 0 0
- -3.0759 -3.8068 0.0000 H 0 0 0
- -2.0897 -4.7736 0.0000 H 0 0 0
- -1.1229 -3.7874 0.0000 H 0 0 0
- -5.8747 0.6778 0.0000 H 0 0 0
- -6.0238 -0.6951 0.0000 H 0 0 0
- -4.6509 -0.8442 0.0000 H 0 0 0
- -4.4354 2.0277 0.0000 H 0 0 0
- -5.8003 1.8172 0.0000 H 0 0 0
- -5.5898 0.4523 0.0000 H 0 0 0
- -2.8355 1.4496 0.0000 H 0 0 0
- -3.2875 2.7546 0.0000 H 0 0 0
- -4.5925 2.3026 0.0000 H 0 0 0
- 2.1703 -2.5769 0.0000 H 0 0 0
- 4.0187 1.9548 0.0000 H 0 0 0
- 3.0633 3.8082 0.0000 H 0 0 0
- 2.0730 4.7707 0.0000 H 0 0 0
- 1.1105 3.7804 0.0000 H 0 0 0
- 5.8800 -0.6665 0.0000 H 0 0 0
- 6.0252 0.7069 0.0000 H 0 0 0
- 4.6518 0.8521 0.0000 H 0 0 0
- 4.4325 -2.0261 0.0000 H 0 0 0
- 5.7987 -1.8243 0.0000 H 0 0 0
- 5.5969 -0.4581 0.0000 H 0 0 0
- 2.8392 -1.4396 0.0000 H 0 0 0
- 3.2897 -2.7451 0.0000 H 0 0 0
- 4.5952 -2.2946 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 10 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 12 19 1 0
- 17 20 1 0
- 17 21 1 0
- 19 22 1 0
- 21 23 1 0
- 21 24 1 0
- 21 25 1 0
- 8 9 1 0
- 19 20 2 0
- 3 26 1 0
- 3 27 1 0
- 4 28 1 0
- 6 29 1 0
- 9 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 16 43 1 0
- 18 44 1 0
- 20 45 1 0
- 22 46 1 0
- 22 47 1 0
- 22 48 1 0
- 23 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
- 25 55 1 0
- 25 56 1 0
- 25 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90243-66-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- -3.1464 0.7618 0.7098 N 0 0 0
- -3.4919 1.7454 -0.3270 C 0 0 1
- -2.0468 -0.0174 0.7181 C 0 0 0
- -4.1989 0.7736 1.7420 C 0 0 0
- -4.8437 2.3747 0.0707 C 0 0 0
- -2.4300 2.8126 -0.3951 C 0 0 0
- -1.1242 -0.0313 -0.4734 C 0 0 2
- -1.7998 -0.7073 1.6844 O 0 0 0
- -5.4577 1.3141 1.0188 C 0 0 0
- -2.5442 3.8212 -1.2817 N 0 0 0
- -1.4727 2.7638 0.3479 O 0 0 0
- -1.6960 -0.9554 -1.5504 C 0 0 0
- 0.1956 -0.5174 -0.0634 N 0 0 0
- -2.0550 -2.2830 -0.9343 C 0 0 0
- 1.3011 -0.0854 -0.7019 C 0 0 0
- -3.2235 -2.5891 -0.3389 C 0 0 0
- -1.2689 -3.3688 -0.8880 N 0 0 0
- 2.6587 -0.5854 -0.2802 C 0 0 1
- 1.2033 0.7057 -1.6159 O 0 0 0
- -3.1275 -3.8897 0.0768 N 0 0 0
- -1.9040 -4.3345 -0.2822 C 0 0 0
- 3.6671 0.0277 -1.1190 N 0 0 0
- 2.8681 -0.2648 1.1985 C 0 0 0
- 4.8716 0.4519 -0.7873 C 0 0 0
- 4.5732 -0.7070 1.6503 S 0 0 0
- 5.4548 0.4789 0.5941 C 0 0 2
- 5.5757 0.8592 -1.6870 O 0 0 0
- 5.3135 1.8855 1.1794 C 0 0 0
- -4.1680 1.1325 0.0000 H 0 0 0
- -4.8521 0.1363 0.0000 H 0 0 0
- -3.8596 -0.0735 0.0000 H 0 0 0
- -4.4342 3.1902 0.0000 H 0 0 0
- -5.6467 2.8082 0.0000 H 0 0 0
- -0.9573 0.8658 0.0000 H 0 0 0
- -6.2650 1.7396 0.0000 H 0 0 0
- -5.8508 0.4906 0.0000 H 0 0 0
- -1.8103 4.3635 0.0000 H 0 0 0
- -3.3808 4.1857 0.0000 H 0 0 0
- -2.2035 -0.1970 0.0000 H 0 0 0
- -2.5965 -1.1033 0.0000 H 0 0 0
- 0.2046 -1.4299 0.0000 H 0 0 0
- -3.9660 -2.0585 0.0000 H 0 0 0
- 2.7468 -1.4937 0.0000 H 0 0 0
- -3.8551 -4.4404 0.0000 H 0 0 0
- -1.6168 -5.2007 0.0000 H 0 0 0
- 3.2764 0.8524 0.0000 H 0 0 0
- 3.1913 0.5886 0.0000 H 0 0 0
- 2.0546 0.1487 0.0000 H 0 0 0
- 6.3344 0.2359 0.0000 H 0 0 0
- 6.2215 1.9767 0.0000 H 0 0 0
- 5.2223 2.7935 0.0000 H 0 0 0
- 4.4055 1.7943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 18 15 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 2 0
- 18 22 1 0
- 18 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 26 28 1 0
- 5 9 1 0
- 20 21 1 0
- 25 26 1 0
- 2 29 1 0
- 4 30 1 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 7 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 16 42 1 0
- 18 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 26 49 1 0
- 28 50 1 0
- 28 51 1 0
- 28 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3070-86-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- -0.0019 2.0495 -0.0097 O 0 0 0
- -1.0850 1.2355 0.1020 C 0 0 0
- 1.0859 1.2424 -0.1252 C 0 0 0
- -1.5168 0.8238 1.3545 C 0 0 0
- -1.7618 0.8214 -1.0366 C 0 0 0
- 1.5115 0.8276 -1.3788 C 0 0 0
- 1.7736 0.8385 1.0104 C 0 0 0
- -2.6169 -0.0031 1.4685 C 0 0 0
- -2.8617 -0.0052 -0.9238 C 0 0 0
- 2.6168 0.0081 -1.4968 C 0 0 0
- 2.8786 0.0192 0.8937 C 0 0 0
- -3.2909 -0.4223 0.3294 C 0 0 0
- 3.3020 -0.4006 -0.3606 C 0 0 0
- -4.4071 -1.2611 0.4445 N 0 0 0
- 4.4231 -1.2324 -0.4797 N 0 0 0
- -5.5963 -0.8731 -0.0574 C 0 0 0
- 5.5895 -0.8775 0.0948 C 0 0 0
- -6.7611 -1.8293 -0.0602 C 0 0 0
- -5.7289 0.2456 -0.5068 O 0 0 0
- 6.7789 -1.7997 0.0172 C 0 0 0
- 5.6820 0.1841 0.6741 O 0 0 0
- -0.9179 0.1172 0.0000 H 0 0 0
- -2.2824 1.5876 0.0000 H 0 0 0
- 0.9110 0.1223 0.0000 H 0 0 0
- 2.2847 1.6110 0.0000 H 0 0 0
- -2.0935 -0.7673 0.0000 H 0 0 0
- -3.4639 0.6986 0.0000 H 0 0 0
- 2.1031 -0.7627 0.0000 H 0 0 0
- 3.4821 0.7219 0.0000 H 0 0 0
- -4.2554 -2.1749 0.0000 H 0 0 0
- 4.2650 -2.1451 0.0000 H 0 0 0
- -7.3488 -1.1134 0.0000 H 0 0 0
- -7.4770 -2.4170 0.0000 H 0 0 0
- -6.1734 -2.5452 0.0000 H 0 0 0
- 6.2113 -2.5317 0.0000 H 0 0 0
- 7.5109 -2.3673 0.0000 H 0 0 0
- 7.3465 -1.0677 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 16 2 0
- 20 17 1 0
- 21 17 2 0
- 9 12 1 0
- 11 13 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 15 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3060-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.7070 -0.1726 0.4987 C 0 0 0
- -2.0926 -0.2286 0.6891 N 0 0 0
- -0.0726 1.0549 0.3636 C 0 0 0
- 0.0365 -1.3447 0.4502 C 0 0 0
- -2.9187 0.3689 -0.1924 C 0 0 0
- 1.2949 1.1073 0.1757 C 0 0 0
- 1.4033 -1.2866 0.2622 C 0 0 0
- -4.2459 0.3972 0.0403 N 0 0 0
- -2.4666 0.8823 -1.1975 O 0 0 0
- 2.0323 -0.0620 0.1220 C 0 0 0
- -5.1026 -0.5054 -0.6353 O 0 0 0
- -4.8023 1.3620 0.9922 C 0 0 0
- 3.9041 0.0137 -0.1353 Br 0 0 0
- -4.7619 -1.8167 -0.1810 C 0 0 0
- -2.3889 -1.2111 0.0000 H 0 0 0
- -0.6229 1.9210 0.0000 H 0 0 0
- -0.4388 -2.2542 0.0000 H 0 0 0
- 1.7733 2.0152 0.0000 H 0 0 0
- 1.9565 -2.1509 0.0000 H 0 0 0
- -3.9133 1.8747 0.0000 H 0 0 0
- -5.3150 2.2510 0.0000 H 0 0 0
- -5.6913 0.8493 0.0000 H 0 0 0
- -5.7551 -2.0748 0.0000 H 0 0 0
- -4.5038 -2.8099 0.0000 H 0 0 0
- -3.7687 -1.5586 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 7 10 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-530-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -2.0363 -0.0188 0.8862 C 0 0 0
- -2.8827 0.2326 -0.2025 C 0 0 0
- -0.8290 0.5953 0.9670 O 0 0 0
- -2.4408 -0.8936 1.8833 C 0 0 0
- -4.1235 -0.4060 -0.2743 C 0 0 0
- -2.4664 1.1658 -1.2655 C 0 0 0
- 0.2228 0.1071 0.2797 C 0 0 0
- -3.6720 -1.5135 1.8028 C 0 0 0
- -4.5067 -1.2766 0.7226 C 0 0 0
- -3.2831 1.4046 -2.3103 O 0 0 0
- -1.3868 1.7195 -1.1993 O 0 0 0
- 1.5422 0.7552 0.3927 C 0 0 0
- 0.0836 -0.8672 -0.4329 O 0 0 0
- 2.6388 0.2508 -0.3201 C 0 0 0
- 1.7056 1.8793 1.2066 C 0 0 0
- 3.8751 0.8684 -0.2062 C 0 0 0
- 2.4913 -0.8372 -1.1177 O 0 0 0
- 2.9415 2.4803 1.3079 C 0 0 0
- 4.0240 1.9751 0.6061 C 0 0 0
- 2.6611 -2.0694 -0.6109 C 0 0 0
- 2.6152 -3.2707 -1.5196 C 0 0 0
- 2.8506 -2.2146 0.5735 O 0 0 0
- -1.8157 -1.4982 0.0000 H 0 0 0
- -4.7568 0.1900 0.0000 H 0 0 0
- -3.5895 -2.3793 0.0000 H 0 0 0
- -5.2936 -1.6469 0.0000 H 0 0 0
- -4.1178 1.6487 0.0000 H 0 0 0
- 1.0035 2.3926 0.0000 H 0 0 0
- 4.5826 0.3626 0.0000 H 0 0 0
- 2.9346 3.3500 0.0000 H 0 0 0
- 4.7871 2.3922 0.0000 H 0 0 0
- 1.7462 -3.2375 0.0000 H 0 0 0
- 2.5820 -4.1398 0.0000 H 0 0 0
- 3.4842 -3.3039 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 2 0
- 12 14 2 0
- 12 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 20 22 2 0
- 8 9 1 0
- 18 19 1 0
- 4 23 1 0
- 5 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 21 32 1 0
- 21 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25155-23-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 58 1 V2000
- -0.0201 -0.0234 -0.0266 P 0 0 0
- 0.0651 -1.5590 -0.5030 O 0 0 0
- 1.2759 0.7742 -0.5523 O 0 0 0
- -1.3492 0.6535 -0.6326 O 0 0 0
- -0.0679 0.0326 1.4515 O 0 0 0
- 1.2806 -2.0246 -0.1121 C 0 0 0
- 1.1250 2.0679 -0.1642 C 0 0 0
- -2.4014 -0.0879 -0.1966 C 0 0 0
- 2.2811 -2.2286 -1.0510 C 0 0 0
- 1.5246 -2.2914 1.2275 C 0 0 0
- 0.8001 3.0401 -1.0987 C 0 0 0
- 1.2902 2.4174 1.1684 C 0 0 0
- -3.0676 -0.9316 -1.0732 C 0 0 0
- -2.8076 -0.0064 1.1277 C 0 0 0
- 3.5159 -2.7022 -0.6511 C 0 0 0
- 2.0213 -1.9345 -2.5060 C 0 0 0
- 2.7607 -2.7646 1.6221 C 0 0 0
- 0.6473 4.3546 -0.7016 C 0 0 0
- 0.6143 2.6630 -2.5459 C 0 0 0
- 1.1364 3.7330 1.5602 C 0 0 0
- -4.1371 -1.6842 -0.6274 C 0 0 0
- -2.6255 -1.0268 -2.5108 C 0 0 0
- -3.8773 -0.7609 1.5684 C 0 0 0
- 3.7547 -2.9726 0.6835 C 0 0 0
- 0.8180 4.7013 0.6257 C 0 0 0
- -4.5434 -1.5970 0.6911 C 0 0 0
- 5.1025 -3.4890 1.1169 C 0 0 0
- 0.6508 6.1358 1.0560 C 0 0 0
- -5.7102 -2.4191 1.1746 C 0 0 0
- 1.0708 -2.9578 0.0000 H 0 0 0
- 2.0858 2.2869 0.0000 H 0 0 0
- -2.9742 0.7825 0.0000 H 0 0 0
- 3.9757 -2.0399 0.0000 H 0 0 0
- 2.6256 -1.4007 0.0000 H 0 0 0
- 1.4875 -1.3302 0.0000 H 0 0 0
- 1.4170 -2.4683 0.0000 H 0 0 0
- 2.5333 -3.5381 0.0000 H 0 0 0
- -0.1472 4.4917 0.0000 H 0 0 0
- -0.1089 3.0193 0.0000 H 0 0 0
- 0.2580 1.9398 0.0000 H 0 0 0
- 1.3375 2.3067 0.0000 H 0 0 0
- 1.9237 3.9066 0.0000 H 0 0 0
- -3.9762 -2.4742 0.0000 H 0 0 0
- -2.7952 -1.8150 0.0000 H 0 0 0
- -1.8373 -1.1965 0.0000 H 0 0 0
- -2.4558 -0.2386 0.0000 H 0 0 0
- -4.4305 -0.1744 0.0000 H 0 0 0
- 4.8140 -4.2419 0.0000 H 0 0 0
- 5.8554 -3.7775 0.0000 H 0 0 0
- 5.3910 -2.7361 0.0000 H 0 0 0
- 1.4516 6.2291 0.0000 H 0 0 0
- 0.5575 6.9366 0.0000 H 0 0 0
- -0.1500 6.0425 0.0000 H 0 0 0
- -6.1746 -1.7600 0.0000 H 0 0 0
- -6.3693 -2.8835 0.0000 H 0 0 0
- -5.2458 -3.0782 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 13 22 1 0
- 14 23 2 0
- 15 24 2 0
- 18 25 2 0
- 21 26 2 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 17 24 1 0
- 20 25 1 0
- 23 26 1 0
- 10 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 27 48 1 0
- 27 49 1 0
- 27 50 1 0
- 28 51 1 0
- 28 52 1 0
- 28 53 1 0
- 29 54 1 0
- 29 55 1 0
- 29 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-585-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.7681 -1.9601 -0.3417 C 0 0 0
- -0.7681 -1.9599 -0.3425 C 0 0 0
- 1.4758 -0.6357 -0.1814 C 0 0 0
- -0.0006 -2.2300 0.8323 O 0 0 0
- -1.4758 -0.6354 -0.1821 C 0 0 0
- 0.7417 0.5365 -0.0402 C 0 0 0
- 2.8558 -0.5974 -0.1767 C 0 0 0
- -0.7416 0.5365 -0.0394 C 0 0 0
- -2.8558 -0.5969 -0.1778 C 0 0 0
- 1.4165 1.7516 0.1066 C 0 0 0
- 3.5163 0.6089 -0.0310 C 0 0 0
- -1.4162 1.7516 0.1081 C 0 0 0
- -3.5161 0.6093 -0.0314 C 0 0 0
- 2.7947 1.7809 0.1098 C 0 0 0
- -2.7944 1.7810 0.1110 C 0 0 0
- 1.4421 -2.7461 0.0000 H 0 0 0
- -1.4424 -2.7456 0.0000 H 0 0 0
- 3.3959 -1.4808 0.0000 H 0 0 0
- -3.3960 -1.4802 0.0000 H 0 0 0
- 0.8819 2.6383 0.0000 H 0 0 0
- 4.5514 0.6353 0.0000 H 0 0 0
- -0.8815 2.6383 0.0000 H 0 0 0
- -4.5512 0.6358 0.0000 H 0 0 0
- 3.2900 2.6901 0.0000 H 0 0 0
- -3.2896 2.6903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 2 4 1 0
- 6 8 1 0
- 11 14 1 0
- 13 15 1 0
- 1 16 1 0
- 2 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63390-12-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.3278 0.2494 0.1478 C 0 0 0
- -1.1323 0.4880 0.2539 C 0 0 0
- 1.1917 1.3123 -0.1127 C 0 0 0
- 0.8385 -1.0368 0.3142 C 0 0 0
- -2.0309 -0.4280 -0.2918 C 0 0 0
- -1.6081 1.6253 0.9041 C 0 0 0
- 2.5495 1.0884 -0.2106 C 0 0 0
- 2.1974 -1.2568 0.2156 C 0 0 0
- -3.3883 -0.2039 -0.1919 C 0 0 0
- -2.9661 1.8457 1.0018 C 0 0 0
- 3.0567 -0.1965 -0.0495 C 0 0 0
- 3.6256 2.4114 -0.5355 Cl 0 0 0
- 2.8341 -2.8585 0.4228 Cl 0 0 0
- -3.8603 0.9351 0.4526 C 0 0 0
- -4.5081 -1.3433 -0.8713 Cl 0 0 0
- 4.4327 -0.4212 -0.1489 N 0 0 0
- -5.2353 1.1605 0.5529 N 0 0 0
- 0.8257 2.2775 0.0000 H 0 0 0
- 0.1921 -1.8416 0.0000 H 0 0 0
- -1.7104 -1.4093 0.0000 H 0 0 0
- -0.9689 2.4359 0.0000 H 0 0 0
- -3.2877 2.8266 0.0000 H 0 0 0
- 4.7980 -1.3867 0.0000 H 0 0 0
- 5.0862 0.3779 0.0000 H 0 0 0
- -5.6000 2.1262 0.0000 H 0 0 0
- -5.8893 0.3618 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 1 0
- 8 11 2 0
- 10 14 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 10 22 1 0
- 16 23 1 0
- 16 24 1 0
- 17 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62613-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.1032 0.3405 -0.6883 N 0 0 0
- 0.9572 -0.7091 -1.2566 C 0 0 0
- 0.8040 1.1579 0.1163 C 0 0 0
- -1.3280 0.4828 -0.9672 C 0 0 0
- 2.2266 -0.7289 -0.3765 C 0 0 0
- 2.2492 0.7148 0.1769 C 0 0 0
- 0.3447 2.1123 0.7073 O 0 0 0
- -2.1177 -0.3094 0.0426 C 0 0 0
- 2.0446 -1.6494 0.7013 O 0 0 0
- -3.4640 -0.3265 -0.0181 N 0 0 0
- -1.5418 -0.9317 0.9098 O 0 0 0
- 0.0999 -1.1234 0.0000 H 0 0 0
- 1.1625 -1.6389 0.0000 H 0 0 0
- -1.0219 1.3844 0.0000 H 0 0 0
- -2.1370 0.9850 0.0000 H 0 0 0
- 3.1735 -0.8291 0.0000 H 0 0 0
- 3.1957 0.6106 0.0000 H 0 0 0
- 2.4417 1.6473 0.0000 H 0 0 0
- 1.8599 -2.5835 0.0000 H 0 0 0
- -3.9505 0.4920 0.0000 H 0 0 0
- -3.9296 -1.1571 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 8 11 2 0
- 5 6 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4698-96-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -1.3403 0.2257 -0.0312 C 0 0 0
- -2.7942 -0.0688 -0.0057 C 0 0 0
- -0.8914 1.4971 -0.3851 C 0 0 0
- -0.4210 -0.7664 0.3042 C 0 0 0
- -3.2677 -1.2948 -0.4696 C 0 0 0
- -3.6907 0.8770 0.4875 C 0 0 0
- 0.4604 1.7680 -0.4075 C 0 0 0
- 0.9300 -0.4895 0.2801 C 0 0 0
- -4.6210 -1.5633 -0.4436 C 0 0 0
- -5.0423 0.5976 0.5088 C 0 0 0
- 1.3742 0.7759 -0.0779 C 0 0 0
- -5.5072 -0.6184 0.0419 C 0 0 0
- 2.7057 1.0458 -0.1008 O 0 0 0
- 3.3774 -0.1565 0.2802 C 0 0 0
- 4.8890 0.0801 0.2747 C 0 0 0
- 5.6082 -1.2072 0.6826 C 0 0 0
- 5.5035 -0.7881 -0.6795 O 0 0 0
- -1.5561 2.2634 0.0000 H 0 0 0
- -0.7311 -1.7323 0.0000 H 0 0 0
- -2.6149 -2.0713 0.0000 H 0 0 0
- -3.3869 1.8448 0.0000 H 0 0 0
- 0.7740 2.7327 0.0000 H 0 0 0
- 1.5971 -1.2537 0.0000 H 0 0 0
- -4.9312 -2.5291 0.0000 H 0 0 0
- -5.6995 1.3704 0.0000 H 0 0 0
- -6.5026 -0.8141 0.0000 H 0 0 0
- 2.4397 -0.5435 0.0000 H 0 0 0
- 3.6512 -1.1332 0.0000 H 0 0 0
- 5.2838 1.0145 0.0000 H 0 0 0
- 5.0139 -2.0293 0.0000 H 0 0 0
- 6.6042 -1.3993 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 8 11 2 0
- 10 12 2 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13889-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.3534 -0.4662 0.0000 S 0 0 0
- -1.1212 0.4037 -0.0001 C 0 0 0
- 1.9293 0.4242 0.0001 C 0 0 0
- -1.1098 1.6175 -0.0001 O 0 0 0
- -2.6326 -0.4502 -0.0002 Cl 0 0 0
- 3.0828 -0.5809 0.0003 C 0 0 0
- 4.4150 0.1716 0.0003 C 0 0 0
- 2.8265 1.2447 0.0000 H 0 0 0
- 1.2154 1.4083 0.0000 H 0 0 0
- 2.1856 -1.4014 0.0000 H 0 0 0
- 3.7966 -1.5651 0.0000 H 0 0 0
- 5.0129 -0.8870 0.0000 H 0 0 0
- 5.4736 0.7695 0.0000 H 0 0 0
- 3.8171 1.2302 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 6 7 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2212-99-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -0.1068 0.9801 0.4481 C 0 0 0
- -1.3383 0.0618 0.7160 C 0 0 0
- -0.4647 0.5446 1.8661 C 0 0 0
- 1.0233 0.2929 -0.3011 C 0 0 0
- -0.6818 2.2454 -0.1221 C 0 0 0
- -1.2484 -1.3692 0.2441 C 0 0 0
- -2.5259 0.9013 0.2446 C 0 0 0
- 1.1696 -1.1172 0.3217 C 0 0 0
- 2.4153 0.8913 -0.1318 C 0 0 0
- -2.0079 2.1701 -0.2245 O 0 0 0
- -0.0261 3.2072 -0.4461 O 0 0 0
- -0.0394 -1.9275 0.0358 C 0 0 0
- -2.4664 -2.1458 0.0147 C 0 0 0
- -3.1870 0.2302 -0.8299 O 0 0 0
- 2.4985 -1.5899 -0.2663 C 0 0 0
- 3.3861 -0.3167 -0.1722 C 0 0 0
- -2.3945 -3.2627 -0.4538 O 0 0 0
- 4.2956 -0.2188 -1.3986 C 0 0 0
- 4.2289 -0.3560 1.1042 C 0 0 0
- -0.3539 -0.4846 0.0000 H 0 0 0
- 0.5271 0.2483 0.0000 H 0 0 0
- 0.1485 -0.2604 0.0000 H 0 0 0
- -3.3902 1.4709 0.0000 H 0 0 0
- 1.2980 -2.1443 0.0000 H 0 0 0
- 3.2773 1.4643 0.0000 H 0 0 0
- 1.9224 1.8015 0.0000 H 0 0 0
- 0.0422 -2.9594 0.0000 H 0 0 0
- -3.3895 -1.6775 0.0000 H 0 0 0
- -3.9134 -0.5072 0.0000 H 0 0 0
- 2.0663 -2.5304 0.0000 H 0 0 0
- 3.3969 -2.1040 0.0000 H 0 0 0
- 4.4064 -1.2480 0.0000 H 0 0 0
- 5.3248 -0.1080 0.0000 H 0 0 0
- 4.1848 0.8104 0.0000 H 0 0 0
- 4.1807 -1.3900 0.0000 H 0 0 0
- 5.2629 -0.4042 0.0000 H 0 0 0
- 4.2771 0.6780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 13 17 2 0
- 16 18 1 0
- 16 19 1 0
- 2 3 1 0
- 7 10 1 0
- 8 12 1 0
- 15 16 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.4677 -0.0042 0.0016 C 0 0 0
- 1.2365 -1.3003 -0.0005 C 0 0 0
- 1.1278 1.1709 -0.0005 N 0 0 0
- -1.1312 -0.0230 -0.0002 S 0 0 0
- 0.2644 -1.8769 0.0000 H 0 0 0
- 1.8131 -2.2724 0.0000 H 0 0 0
- 2.2086 -0.7237 0.0000 H 0 0 0
- 2.2579 1.1842 0.0000 H 0 0 0
- 0.5512 2.1430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13925-00-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5491 0.0064 -0.2815 C 0 0 0
- 0.1712 -1.1698 -0.1676 C 0 0 0
- 0.0592 1.1703 -0.1367 N 0 0 0
- -2.0262 -0.0403 -0.5769 C 0 0 0
- 1.4673 -1.1286 0.0860 N 0 0 0
- 1.3555 1.2113 0.1170 C 0 0 0
- -2.8077 -0.0917 0.7374 C 0 0 0
- 2.0756 0.0356 0.2309 C 0 0 0
- -0.2965 -2.0367 0.0000 H 0 0 0
- -1.5708 0.8332 0.0000 H 0 0 0
- -2.5643 0.7848 0.0000 H 0 0 0
- 1.8233 2.0782 0.0000 H 0 0 0
- -2.8723 0.8912 0.0000 H 0 0 0
- -3.7906 -0.1563 0.0000 H 0 0 0
- -2.7431 -1.0746 0.0000 H 0 0 0
- 3.0601 0.0691 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 8 2 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7132-67-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.8508 0.3728 -0.0041 C 0 0 0
- -0.6985 -1.0380 -0.0029 C 0 0 0
- 0.2875 1.2043 -0.0033 C 0 0 0
- -2.1409 0.9334 -0.0003 C 0 0 0
- 0.5086 -1.6043 -0.0005 N 0 0 0
- -1.8542 -1.8481 -0.0038 C 0 0 0
- 1.5505 0.5843 -0.0012 C 0 0 0
- 0.1673 2.5784 -0.0040 N 0 0 0
- -3.2335 0.1165 0.0045 C 0 0 0
- 1.6232 -0.8785 0.0005 C 0 0 0
- -3.0852 -1.2749 -0.0059 C 0 0 0
- 2.7406 1.3296 -0.0001 C 0 0 0
- -4.4796 0.6601 0.0086 O 0 0 0
- 2.8940 -1.4869 0.0036 C 0 0 0
- 3.9367 0.6803 0.0019 C 0 0 0
- 4.0101 -0.7106 0.0049 C 0 0 0
- -2.2621 1.9734 0.0000 H 0 0 0
- -1.7624 -2.8911 0.0000 H 0 0 0
- 1.0250 3.1789 0.0000 H 0 0 0
- -0.7816 3.0209 0.0000 H 0 0 0
- -3.9370 -1.8838 0.0000 H 0 0 0
- 2.7081 2.3761 0.0000 H 0 0 0
- -5.4393 1.0788 0.0000 H 0 0 0
- 2.9783 -2.5305 0.0000 H 0 0 0
- 4.8221 1.2392 0.0000 H 0 0 0
- 4.9505 -1.1709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 14 16 1 0
- 7 10 1 0
- 9 11 1 0
- 15 16 2 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6375-16-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.4316 0.5484 -0.3300 C 0 0 0
- 0.2001 -0.6820 -0.4367 C 0 0 0
- 0.3029 1.6777 0.0105 C 0 0 0
- -1.8059 0.6532 -0.5708 N 0 0 0
- 1.5647 -0.7807 -0.2026 C 0 0 0
- 1.6608 1.5763 0.2429 C 0 0 0
- -2.6707 -0.1240 0.1108 C 0 0 0
- 2.2933 0.3523 0.1376 C 0 0 0
- 2.2046 -2.0178 -0.3085 N 0 0 0
- -4.1369 -0.1043 -0.2369 C 0 0 0
- -2.2689 -0.8393 1.0041 O 0 0 0
- 3.7748 0.2462 0.3924 C 0 0 0
- -0.3679 -1.5409 0.0000 H 0 0 0
- -0.1541 2.6005 0.0000 H 0 0 0
- -2.1376 1.6280 0.0000 H 0 0 0
- 2.2287 2.4353 0.0000 H 0 0 0
- 1.6491 -2.8848 0.0000 H 0 0 0
- 3.2332 -2.0654 0.0000 H 0 0 0
- -4.1231 0.9253 0.0000 H 0 0 0
- -5.1665 -0.0905 0.0000 H 0 0 0
- -4.1507 -1.1339 0.0000 H 0 0 0
- 3.7012 -0.7809 0.0000 H 0 0 0
- 4.8019 0.1726 0.0000 H 0 0 0
- 3.8484 1.2733 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 6 8 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84174-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.1101 0.5909 0.5427 C 0 0 0
- -1.2752 1.0491 0.9195 C 0 0 0
- 1.0356 1.5040 0.0733 C 0 0 0
- 0.4561 -0.7415 0.6721 C 0 0 0
- -2.2567 0.4143 0.0364 N 0 0 0
- 2.3065 1.0849 -0.2726 C 0 0 0
- 1.7259 -1.1628 0.3269 C 0 0 0
- -2.6788 -0.7775 0.2922 N 0 0 0
- -2.7587 1.1330 -1.1374 C 0 0 0
- 2.6523 -0.2499 -0.1489 C 0 0 0
- -3.4948 -1.3053 -0.4421 O 0 0 0
- 3.8942 -0.6606 -0.4867 F 0 0 0
- -0.7679 1.8855 0.0000 H 0 0 0
- -1.9769 1.7308 0.0000 H 0 0 0
- 0.8125 2.4565 0.0000 H 0 0 0
- -0.2582 -1.4099 0.0000 H 0 0 0
- 3.0204 1.7538 0.0000 H 0 0 0
- 1.9478 -2.1155 0.0000 H 0 0 0
- -1.9567 1.6932 0.0000 H 0 0 0
- -3.3189 1.9350 0.0000 H 0 0 0
- -3.5607 0.5728 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 2 0
- 10 12 1 0
- 7 10 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65002-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 1.4981 0.0734 0.2229 C 0 0 2
- 0.1004 0.0116 -0.2117 N 0 0 0
- 2.1233 1.3507 -0.2761 C 0 0 0
- 2.2622 -1.1242 -0.3452 C 0 0 0
- -0.8710 0.5266 0.5678 C 0 0 0
- 3.4075 1.6232 0.0035 O 0 0 0
- 1.4685 2.1294 -0.9278 O 0 0 0
- 1.5097 -2.6616 0.2554 S 0 0 0
- -2.3088 0.4630 0.1209 C 0 0 0
- -0.5880 1.0412 1.6290 O 0 0 0
- -3.2210 0.3855 1.3467 C 0 0 0
- -2.6472 1.7167 -0.6882 C 0 0 0
- -2.5566 -1.0080 -0.9113 S 0 0 0
- 2.5134 0.1307 0.0000 H 0 0 0
- -0.1232 -0.9805 0.0000 H 0 0 0
- 3.0793 -1.7297 0.0000 H 0 0 0
- 3.0060 -0.4307 0.0000 H 0 0 0
- 4.4023 1.8343 0.0000 H 0 0 0
- 1.0626 -3.5750 0.0000 H 0 0 0
- -3.3071 1.3988 0.0000 H 0 0 0
- -4.2343 0.2994 0.0000 H 0 0 0
- -3.1349 -0.6278 0.0000 H 0 0 0
- -1.6654 1.9817 0.0000 H 0 0 0
- -2.9122 2.6985 0.0000 H 0 0 0
- -3.6290 1.4517 0.0000 H 0 0 0
- -2.7255 -2.0108 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 9 11 1 0
- 9 12 1 0
- 9 13 1 0
- 1 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5802-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.2664 0.1605 0.4418 C 0 0 0
- 1.0983 0.9175 1.0192 C 0 0 0
- 3.4740 0.8019 0.2402 C 0 0 0
- 2.1319 -1.1772 0.1191 C 0 0 0
- 0.0057 0.9547 0.0379 N 0 0 0
- 4.5457 0.1074 -0.2895 C 0 0 0
- 3.2032 -1.8715 -0.4103 C 0 0 0
- -1.2143 1.3045 0.7775 C 0 0 0
- 0.2852 2.0664 -0.8567 N 0 0 0
- 4.4095 -1.2284 -0.6174 C 0 0 0
- -2.3410 0.4029 0.3431 C 0 0 0
- -2.5520 -0.8001 0.9900 C 0 0 0
- -3.1670 0.7818 -0.6988 C 0 0 0
- -3.5857 -1.6273 0.5914 C 0 0 0
- -4.2004 -0.0451 -1.0973 C 0 0 0
- -4.4079 -1.2512 -0.4539 C 0 0 0
- 1.8593 1.4991 0.0000 H 0 0 0
- 0.8068 1.8299 0.0000 H 0 0 0
- 3.5155 1.7588 0.0000 H 0 0 0
- 1.2685 -1.5919 0.0000 H 0 0 0
- 5.4093 0.5215 0.0000 H 0 0 0
- 3.1624 -2.8284 0.0000 H 0 0 0
- -0.7679 2.1519 0.0000 H 0 0 0
- -1.9528 1.9144 0.0000 H 0 0 0
- 1.2064 2.3286 0.0000 H 0 0 0
- -0.4025 2.7331 0.0000 H 0 0 0
- 5.2047 -1.7623 0.0000 H 0 0 0
- -1.7279 -1.2882 0.0000 H 0 0 0
- -3.2839 1.7324 0.0000 H 0 0 0
- -3.4683 -2.5779 0.0000 H 0 0 0
- -5.0253 0.4417 0.0000 H 0 0 0
- -5.2549 -1.6983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 15 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114607-46-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -1.5909 -0.7126 0.0227 C 0 0 0
- -2.7121 0.2500 -0.0651 C 0 0 0
- -0.2910 -0.2991 -0.2616 C 0 0 0
- -1.8318 -2.0354 0.3961 C 0 0 0
- -3.9516 0.0011 -0.5553 N 0 0 0
- -2.6959 1.5075 0.3231 N 0 0 0
- 0.7548 -1.2064 -0.1768 C 0 0 0
- -0.7851 -2.9313 0.4779 C 0 0 0
- -4.6499 1.2144 -0.4253 N 0 0 0
- -3.8346 2.0600 0.1054 N 0 0 0
- 0.5039 -2.5232 0.1909 C 0 0 0
- 2.0602 -0.7969 -0.4614 N 0 0 0
- 2.5950 0.2527 0.1934 C 0 0 0
- 3.9401 0.7701 -0.1978 C 0 0 0
- 1.9834 0.7774 1.1011 O 0 0 0
- 4.4740 1.8180 0.4559 O 0 0 0
- 4.5511 0.2459 -1.1046 O 0 0 0
- -0.0877 0.6871 0.0000 H 0 0 0
- -2.7806 -2.3725 0.0000 H 0 0 0
- -4.3669 -0.9161 0.0000 H 0 0 0
- -0.9858 -3.9180 0.0000 H 0 0 0
- 1.2567 -3.1918 0.0000 H 0 0 0
- 2.7102 -1.5659 0.0000 H 0 0 0
- 4.9311 2.7152 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 2 0
- 8 11 1 0
- 9 10 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-839-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -2.2422 -1.8110 -0.6386 C 0 0 0
- -3.1669 -1.7615 0.5793 C 0 0 0
- -1.0714 -0.9640 -0.3976 N 0 0 0
- -3.5907 -0.4149 0.8012 O 0 0 0
- 0.0303 -1.4850 0.1778 C 0 0 0
- -1.0941 0.3349 -0.7564 C 0 0 0
- 0.0526 -2.6574 0.4968 O 0 0 0
- 1.1075 -0.7059 0.3992 N 0 0 0
- -2.0856 0.8035 -1.2798 O 0 0 0
- -0.0172 1.1143 -0.5343 N 0 0 0
- 2.3053 -1.2723 1.0243 C 0 0 0
- 1.0827 0.5945 0.0459 C 0 0 0
- -0.0420 2.5263 -0.9238 C 0 0 0
- 3.2389 -1.8139 -0.0602 C 0 0 0
- 2.0538 1.2971 0.2458 O 0 0 0
- -0.5713 3.3671 0.2397 C 0 0 0
- 3.6167 -0.7512 -0.9376 O 0 0 0
- 0.2815 3.2009 1.3742 O 0 0 0
- -2.5558 -2.6687 0.0000 H 0 0 0
- -1.5138 -2.3618 0.0000 H 0 0 0
- -4.0645 -1.9299 0.0000 H 0 0 0
- -3.1067 -2.6727 0.0000 H 0 0 0
- -3.8648 0.4562 0.0000 H 0 0 0
- 3.0841 -0.7954 0.0000 H 0 0 0
- 2.2561 -0.3604 0.0000 H 0 0 0
- 0.8235 2.2350 0.0000 H 0 0 0
- 0.5228 3.2439 0.0000 H 0 0 0
- 2.8300 -2.6304 0.0000 H 0 0 0
- 4.0790 -2.1720 0.0000 H 0 0 0
- -0.6251 4.2787 0.0000 H 0 0 0
- -1.4409 3.0882 0.0000 H 0 0 0
- 3.9226 0.1093 0.0000 H 0 0 0
- 1.1778 3.0262 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 5 2 0
- 8 5 1 0
- 9 6 2 0
- 10 6 1 0
- 11 8 1 0
- 12 8 1 0
- 13 10 1 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 1 0
- 18 16 1 0
- 10 12 1 0
- 1 19 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 11 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-91-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.2222 -0.3952 0.0131 C 0 0 0
- -2.4859 0.3536 -0.0291 C 0 0 0
- -0.0542 0.2614 0.1603 O 0 0 0
- -1.2306 -1.6070 -0.0797 O 0 0 0
- -2.4760 1.8557 0.0922 C 0 0 0
- -3.6390 -0.2946 -0.1744 C 0 0 0
- 1.1944 -0.4786 0.2020 C 0 0 0
- 2.3600 0.4974 0.3746 C 0 0 0
- 3.6757 -0.2824 0.4186 C 0 0 0
- 3.2314 0.4029 -0.7540 O 0 0 0
- -1.4293 1.8488 0.0000 H 0 0 0
- -2.4691 2.9024 0.0000 H 0 0 0
- -3.5227 1.8626 0.0000 H 0 0 0
- -4.5394 0.2391 0.0000 H 0 0 0
- -3.6510 -1.3413 0.0000 H 0 0 0
- 0.5627 -1.3132 0.0000 H 0 0 0
- 1.9525 -1.2003 0.0000 H 0 0 0
- 2.0561 1.4991 0.0000 H 0 0 0
- 3.5038 -1.3149 0.0000 H 0 0 0
- 4.7005 -0.0692 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 1 0
- 9 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5989-27-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.6818 0.0620 -0.4013 C 0 0 1
- -2.1590 0.0080 -0.1081 C 0 0 0
- -0.0347 1.1729 0.4353 C 0 0 0
- -0.0366 -1.2713 -0.0172 C 0 0 0
- -2.6395 -0.2652 1.2938 C 0 0 0
- -3.0255 0.1987 -1.0720 C 0 0 0
- 1.4238 1.3218 -0.0030 C 0 0 0
- 1.4588 -1.1484 -0.0433 C 0 0 0
- 2.0941 -0.0206 -0.0327 C 0 0 0
- 3.6005 -0.0579 -0.0514 C 0 0 0
- 0.4215 0.0196 0.0000 H 0 0 0
- 0.0843 2.2706 0.0000 H 0 0 0
- -1.0835 1.5178 0.0000 H 0 0 0
- -1.0819 -1.6268 0.0000 H 0 0 0
- 0.1880 -2.3523 0.0000 H 0 0 0
- -3.1852 0.6946 0.0000 H 0 0 0
- -3.5993 -0.8109 0.0000 H 0 0 0
- -2.0938 -1.2250 0.0000 H 0 0 0
- -3.3591 1.2512 0.0000 H 0 0 0
- -3.7702 -0.6165 0.0000 H 0 0 0
- 2.4637 1.6928 0.0000 H 0 0 0
- 1.1805 2.3988 0.0000 H 0 0 0
- 2.0545 -2.0780 0.0000 H 0 0 0
- 3.5732 -1.1617 0.0000 H 0 0 0
- 4.7043 -0.0852 0.0000 H 0 0 0
- 3.6278 1.0459 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 8 9 2 0
- 1 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84434-42-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.9378 -0.0802 -0.0010 C 0 0 0
- -1.9202 0.9272 0.0003 C 0 0 0
- 0.3821 0.2523 0.0002 N 0 0 0
- -1.3236 -1.4254 0.0022 C 0 0 0
- -3.2606 0.5793 -0.0005 C 0 0 0
- -1.5464 2.2672 0.0028 N 0 0 0
- 1.2804 -0.6734 -0.0011 N 0 0 0
- -2.6584 -1.7576 0.0067 C 0 0 0
- -3.6309 -0.7595 -0.0030 C 0 0 0
- -4.3177 1.6533 0.0010 C 0 0 0
- 2.6065 -0.3394 0.0001 C 0 0 0
- -4.9795 -1.1056 -0.0042 N 0 0 0
- 3.5825 -1.3397 -0.0012 C 0 0 0
- 2.9920 1.0034 -0.0031 C 0 0 0
- 4.9177 -0.9953 0.0001 C 0 0 0
- 4.3315 1.3328 -0.0018 C 0 0 0
- 5.2923 0.3371 0.0027 C 0 0 0
- -0.6012 -2.1738 0.0000 H 0 0 0
- -0.5389 2.5261 0.0000 H 0 0 0
- -2.2744 3.0102 0.0000 H 0 0 0
- -2.9431 -2.7581 0.0000 H 0 0 0
- -3.5764 2.3830 0.0000 H 0 0 0
- -5.0474 2.3946 0.0000 H 0 0 0
- -5.0590 0.9236 0.0000 H 0 0 0
- -5.7072 -0.3623 0.0000 H 0 0 0
- -5.2593 -2.1075 0.0000 H 0 0 0
- 3.3024 -2.3415 0.0000 H 0 0 0
- 2.2707 1.7529 0.0000 H 0 0 0
- 5.6452 -1.7387 0.0000 H 0 0 0
- 4.6200 2.3322 0.0000 H 0 0 0
- 6.3010 0.5912 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 8 9 2 0
- 16 17 2 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82414-02-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.3787 -0.2271 -0.0031 C 0 0 0
- 0.0444 -0.6820 -0.0026 C 0 0 0
- 1.6388 1.1584 -0.0010 C 0 0 0
- 2.3894 -1.1027 0.0002 N 0 0 0
- -0.9850 0.2313 -0.0001 C 0 0 0
- 0.5999 2.0447 0.0014 C 0 0 0
- 3.0598 1.6602 -0.0011 C 0 0 0
- 2.1591 -2.2987 0.0035 O 0 0 0
- -0.7102 1.5904 0.0018 C 0 0 0
- -2.3887 -0.2382 -0.0001 N 0 3 0
- -3.3009 0.5690 0.0021 O 0 0 0
- -2.6317 -1.4317 -0.0022 O 0 5 0
- -0.1600 -1.6977 0.0000 H 0 0 0
- 0.7918 3.0628 0.0000 H 0 0 0
- 3.4048 0.6833 0.0000 H 0 0 0
- 4.0367 2.0052 0.0000 H 0 0 0
- 2.7148 2.6371 0.0000 H 0 0 0
- -1.4903 2.2722 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 1 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10387-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.6932 -1.2039 0.2413 C 0 0 0
- -0.6927 -1.2049 -0.2378 C 0 0 0
- 1.3555 0.0011 0.4696 C 0 0 0
- 1.3367 -2.4414 0.4582 C 0 0 0
- -1.3561 -0.0008 -0.4678 C 0 0 0
- -1.3329 -2.4433 -0.4590 C 0 0 0
- 0.6923 1.2048 0.2396 C 0 0 0
- 2.7797 0.0022 0.9625 C 0 0 0
- 0.6644 -3.5965 0.2206 C 0 0 0
- -0.6939 1.2038 -0.2396 C 0 0 0
- -2.7802 -0.0018 -0.9607 C 0 0 0
- -0.6577 -3.5974 -0.2254 C 0 0 0
- 1.3327 2.4434 0.4598 C 0 0 0
- 3.9035 0.0014 -0.4474 Cl 0 0 0
- -1.3355 2.4414 -0.4621 C 0 0 0
- -3.9041 -0.0016 0.4491 Cl 0 0 0
- 0.6576 3.5975 0.2254 C 0 0 0
- -0.6615 3.5965 -0.2297 C 0 0 0
- 2.3674 -2.4659 0.0000 H 0 0 0
- -2.3636 -2.4702 0.0000 H 0 0 0
- 3.2954 0.8950 0.0000 H 0 0 0
- 2.2639 0.8949 0.0000 H 0 0 0
- 1.1786 -4.4901 0.0000 H 0 0 0
- -3.2956 -0.8947 0.0000 H 0 0 0
- -2.2643 -0.8945 0.0000 H 0 0 0
- -1.1703 -4.4919 0.0000 H 0 0 0
- 2.3634 2.4703 0.0000 H 0 0 0
- -2.3662 2.4671 0.0000 H 0 0 0
- 1.1702 4.4920 0.0000 H 0 0 0
- -1.1753 4.4904 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 1 0
- 13 17 2 0
- 15 18 2 0
- 7 10 1 0
- 9 12 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82-68-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.2459 -0.0001 0.0025 C 0 0 0
- -0.5546 -1.1980 0.0021 C 0 0 0
- -0.5543 1.1982 0.0022 C 0 0 0
- -2.7260 0.0000 -0.0028 N 0 3 0
- 0.8300 -1.1986 0.0008 C 0 0 0
- -1.4231 -2.7011 0.0026 Cl 0 0 0
- 0.8299 1.1987 0.0013 C 0 0 0
- -1.4227 2.7013 0.0022 Cl 0 0 0
- -3.3388 -0.0026 1.0498 O 0 0 0
- -3.3312 0.0026 -1.0598 O 0 5 0
- 1.5223 -0.0002 0.0004 C 0 0 0
- 1.6975 -2.7023 -0.0009 Cl 0 0 0
- 1.6975 2.7023 0.0003 Cl 0 0 0
- 3.2583 -0.0002 -0.0018 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 11 14 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15625-89-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 40 1 V2000
- 0.0000 -0.8425 -0.3046 C 0 0 0
- -1.2493 -1.0114 0.5624 C 0 0 0
- 0.0000 0.5526 -0.9328 C 0 0 0
- 1.2492 -1.0114 0.5624 C 0 0 0
- 0.0000 -1.8998 -1.4105 C 0 0 0
- -2.4348 -0.8511 -0.2604 O 0 0 0
- 0.0000 1.5559 0.1167 O 0 0 0
- 2.4348 -0.8512 -0.2604 O 0 0 0
- -0.0001 -3.2949 -0.7823 C 0 0 0
- -3.6591 -0.9589 0.2932 C 0 0 0
- 0.0001 2.8655 -0.2028 C 0 0 0
- 3.6591 -0.9590 0.2932 C 0 0 0
- -4.8589 -0.7966 -0.5396 C 0 0 0
- -3.7707 -1.1903 1.4811 O 0 0 0
- 0.0001 3.8810 0.8594 C 0 0 0
- 0.0001 3.2064 -1.3694 O 0 0 0
- 4.8589 -0.7969 -0.5396 C 0 0 0
- 3.7706 -1.1904 1.4811 O 0 0 0
- -6.0677 -0.9031 0.0070 C 0 0 0
- 0.0001 5.1739 0.5439 C 0 0 0
- 6.0676 -0.9033 0.0070 C 0 0 0
- -1.7386 -1.7775 0.0000 H 0 0 0
- -0.7600 -1.7775 0.0000 H 0 0 0
- -0.7873 1.0071 0.0000 H 0 0 0
- -0.7873 0.0981 0.0000 H 0 0 0
- 0.7599 -1.7775 0.0000 H 0 0 0
- 1.7385 -1.7775 0.0000 H 0 0 0
- 0.7872 -2.3544 0.0000 H 0 0 0
- 0.7873 -1.4453 0.0000 H 0 0 0
- -0.9091 -3.2948 0.0000 H 0 0 0
- -0.0002 -4.2039 0.0000 H 0 0 0
- 0.9089 -3.2950 0.0000 H 0 0 0
- -4.8377 0.1122 0.0000 H 0 0 0
- -0.9089 3.8810 0.0000 H 0 0 0
- 4.8378 0.1119 0.0000 H 0 0 0
- -6.5896 -0.1588 0.0000 H 0 0 0
- -6.4514 -1.7272 0.0000 H 0 0 0
- 0.7874 5.6284 0.0000 H 0 0 0
- -0.7872 5.6284 0.0000 H 0 0 0
- 6.4513 -1.7274 0.0000 H 0 0 0
- 6.5894 -0.1589 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 11 16 2 0
- 12 17 1 0
- 12 18 2 0
- 13 19 2 0
- 15 20 2 0
- 17 21 2 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 9 30 1 0
- 9 31 1 0
- 9 32 1 0
- 13 33 1 0
- 15 34 1 0
- 17 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-587-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -2.4421 -1.0869 -0.0003 C 0 0 0
- -3.5546 -0.6046 0.0006 O 0 0 0
- -1.2600 -0.2101 0.0010 C 0 0 0
- 0.0244 -0.7626 0.0000 C 0 0 0
- -1.4159 1.1799 -0.0026 C 0 0 0
- 1.1279 0.0666 0.0012 C 0 0 0
- -0.3041 1.9951 -0.0014 C 0 0 0
- 2.7241 -0.6160 -0.0007 Cl 0 0 0
- 0.9646 1.4418 0.0034 C 0 0 0
- -2.3234 -2.1187 0.0000 H 0 0 0
- 0.1478 -1.7939 0.0000 H 0 0 0
- -2.3671 1.5970 0.0000 H 0 0 0
- -0.4189 3.0274 0.0000 H 0 0 0
- 1.7984 2.0611 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 1 0
- 9 6 2 0
- 7 9 1 0
- 1 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2803 0.6222 -0.0029 C 0 0 0
- -0.5138 -0.7759 -0.0009 C 0 0 0
- 1.0397 1.1016 -0.0023 C 0 0 0
- -1.3752 1.5042 0.0004 C 0 0 0
- 0.5783 -1.6615 0.0016 C 0 0 0
- -1.8358 -1.2525 -0.0010 C 0 0 0
- 2.0865 0.2063 0.0002 C 0 0 0
- -2.6415 1.0057 0.0055 C 0 0 0
- 1.8466 -1.1734 0.0021 C 0 0 0
- -2.8710 -0.3690 -0.0030 C 0 0 0
- 3.4002 0.6792 0.0003 N 0 0 0
- 1.2270 2.1335 0.0000 H 0 0 0
- -1.2169 2.5409 0.0000 H 0 0 0
- 0.4143 -2.6973 0.0000 H 0 0 0
- -2.0238 -2.2842 0.0000 H 0 0 0
- -3.4566 1.6656 0.0000 H 0 0 0
- 2.6569 -1.8392 0.0000 H 0 0 0
- -3.8564 -0.7281 0.0000 H 0 0 0
- 4.2012 0.0023 0.0000 H 0 0 0
- 3.5860 1.7114 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 7 9 1 0
- 8 10 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.0894 0.2249 -0.0299 C 0 0 0
- 1.0101 -0.8046 -0.0226 C 0 0 0
- 0.5189 1.5389 -0.0044 C 0 0 0
- -1.6345 -0.1365 -0.0792 S 0 0 0
- 2.3689 -0.5187 0.0103 C 0 0 0
- 1.8713 1.8271 0.0284 C 0 0 0
- -2.1164 -0.2524 1.3599 O 0 0 0
- -2.2583 1.0280 -0.6026 O 0 0 0
- -1.7395 -1.4431 -0.6279 O 0 0 0
- 2.7971 0.8027 0.0359 C 0 0 0
- 3.3027 -1.5574 0.0183 N 0 0 0
- 0.6870 -1.7898 0.0000 H 0 0 0
- -0.1744 2.3098 0.0000 H 0 0 0
- 2.1905 2.8135 0.0000 H 0 0 0
- -3.1245 -0.4948 0.0000 H 0 0 0
- 3.8110 1.0196 0.0000 H 0 0 0
- 2.9815 -2.5432 0.0000 H 0 0 0
- 4.3170 -1.3426 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 10 2 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-543-67-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.7723 -0.4661 0.0000 C 0 0 0
- -0.5002 0.2333 0.0000 O 0 0 0
- 1.9140 0.5524 0.0000 C 0 0 0
- -1.5419 -0.3978 0.0000 N 0 0 0
- 3.2549 -0.1846 0.0000 C 0 0 0
- -2.6093 0.1889 0.0000 O 0 0 0
- 0.1432 -1.3551 0.0000 H 0 0 0
- 1.5845 -1.1916 0.0000 H 0 0 0
- 2.5431 1.4414 0.0000 H 0 0 0
- 1.1018 1.2779 0.0000 H 0 0 0
- 2.7303 -1.1390 0.0000 H 0 0 0
- 4.2093 -0.7092 0.0000 H 0 0 0
- 3.7795 0.7698 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4648-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 1.3248 -0.3415 0.0074 C 0 0 0
- 2.1426 -1.4750 0.0065 C 0 0 0
- 1.9045 0.9298 0.0045 C 0 0 0
- -0.1418 -0.4866 0.0052 C 0 0 0
- 3.5140 -1.3314 0.0027 C 0 0 0
- 3.2779 1.0577 0.0007 C 0 0 0
- -0.9244 0.6045 0.0061 C 0 0 0
- 4.0811 -0.0689 -0.0001 C 0 0 0
- -2.3907 0.4595 0.0039 C 0 0 0
- 5.5543 0.0768 -0.0041 N 0 3 0
- -3.2073 1.5937 0.0048 C 0 0 0
- -2.9694 -0.8131 -0.0049 C 0 0 0
- 6.0565 1.1865 -0.0066 O 0 0 0
- 6.2642 -0.9129 -0.0049 O 0 5 0
- -4.5782 1.4530 0.0023 C 0 0 0
- -4.3409 -0.9437 -0.0073 C 0 0 0
- -5.1485 0.1867 -0.0011 C 0 0 0
- -6.5005 0.0529 -0.0031 O 0 0 0
- -6.7768 -1.3491 -0.0064 C 0 0 0
- 1.7179 -2.4241 0.0000 H 0 0 0
- 1.3021 1.7773 0.0000 H 0 0 0
- -0.5705 -1.4339 0.0000 H 0 0 0
- 4.1236 -2.1737 0.0000 H 0 0 0
- 3.7107 2.0032 0.0000 H 0 0 0
- -0.4957 1.5518 0.0000 H 0 0 0
- -2.7812 2.5422 0.0000 H 0 0 0
- -2.3657 -1.6597 0.0000 H 0 0 0
- -5.1866 2.2963 0.0000 H 0 0 0
- -4.7722 -1.8898 0.0000 H 0 0 0
- -7.7970 -1.1480 0.0000 H 0 0 0
- -6.9779 -2.3693 0.0000 H 0 0 0
- -5.7566 -1.5502 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 6 8 2 0
- 16 17 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6377-12-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 1.0059 -0.4624 -0.0011 C 0 0 0
- -0.4524 -0.2434 -0.0005 C 0 0 0
- 1.6001 0.8082 -0.0004 C 0 0 0
- 1.8031 -1.6048 0.0029 C 0 0 0
- -0.6465 1.1458 0.0005 C 0 0 0
- -1.5492 -1.1017 -0.0008 C 0 0 0
- 0.5963 1.7598 0.0006 N 0 0 0
- 2.9881 0.9117 -0.0008 C 0 0 0
- 3.1757 -1.4820 0.0009 C 0 0 0
- -1.9408 1.6557 0.0009 C 0 0 0
- -2.8308 -0.5781 0.0000 C 0 0 0
- 3.7647 -0.2267 -0.0018 C 0 0 0
- -3.0214 0.8006 0.0002 C 0 0 0
- -3.9365 -1.4365 -0.0007 N 0 0 0
- 1.3622 -2.5507 0.0000 H 0 0 0
- -1.4056 -2.1354 0.0000 H 0 0 0
- 0.7522 2.7917 0.0000 H 0 0 0
- 3.4409 1.8519 0.0000 H 0 0 0
- 3.7741 -2.3370 0.0000 H 0 0 0
- -2.0937 2.6880 0.0000 H 0 0 0
- 4.8050 -0.1433 0.0000 H 0 0 0
- -3.9898 1.1896 0.0000 H 0 0 0
- -4.9029 -1.0426 0.0000 H 0 0 0
- -3.7944 -2.4704 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-645-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.8852 0.2415 -0.0019 C 0 0 0
- 0.4360 0.5103 -0.0018 C 0 0 0
- 2.7957 1.3012 -0.0019 C 0 0 0
- 2.3552 -1.0746 0.0039 C 0 0 0
- -0.4360 -0.5103 -0.0018 C 0 0 0
- 4.1505 1.0420 -0.0016 C 0 0 0
- 3.7124 -1.3184 0.0042 C 0 0 0
- -1.8852 -0.2415 -0.0017 C 0 0 0
- 4.6085 -0.2636 -0.0012 C 0 0 0
- -2.7957 -1.3012 -0.0016 C 0 0 0
- -2.3552 1.0746 0.0042 C 0 0 0
- -4.1505 -1.0420 -0.0016 C 0 0 0
- -3.7124 1.3184 0.0042 C 0 0 0
- -4.6085 0.2636 -0.0015 C 0 0 0
- 0.0897 1.4889 0.0000 H 0 0 0
- 2.4535 2.2812 0.0000 H 0 0 0
- 1.6843 -1.8667 0.0000 H 0 0 0
- -0.0897 -1.4889 0.0000 H 0 0 0
- 4.8281 1.8284 0.0000 H 0 0 0
- 4.0629 -2.2955 0.0000 H 0 0 0
- 5.6291 -0.4529 0.0000 H 0 0 0
- -2.4535 -2.2812 0.0000 H 0 0 0
- -1.6843 1.8667 0.0000 H 0 0 0
- -4.8281 -1.8284 0.0000 H 0 0 0
- -4.0629 2.2955 0.0000 H 0 0 0
- -5.6291 0.4529 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 7 9 1 0
- 13 14 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54965-24-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 79 1 V2000
- -7.8927 -1.9461 -0.1861 C 0 0 0
- -9.2105 -2.1151 -0.4556 C 0 0 0
- -7.3510 -0.5871 0.0338 C 0 0 0
- -6.9971 -3.1215 -0.1059 C 0 0 0
- -10.1636 -1.0311 -0.1741 C 0 0 0
- -9.6989 -3.4139 -1.0435 C 0 0 0
- -7.0442 -0.1568 1.3256 C 0 0 0
- -7.1400 0.2662 -1.0509 C 0 0 0
- -6.2496 -3.5101 -1.2186 C 0 0 0
- -6.8922 -3.8424 1.0840 C 0 0 0
- -10.6405 -0.2263 -1.2144 C 0 0 0
- -10.6024 -0.8029 1.1343 C 0 0 0
- -10.3148 -4.2743 0.0615 C 0 0 0
- -6.5392 1.1102 1.5265 C 0 0 0
- -6.6348 1.5313 -0.8420 C 0 0 0
- -5.4167 -4.6067 -1.1374 C 0 0 0
- -6.0554 -4.9374 1.1522 C 0 0 0
- -11.5337 0.7879 -0.9422 C 0 0 0
- -11.4961 0.2157 1.3899 C 0 0 0
- -6.3357 1.9578 0.4456 C 0 0 0
- -5.3214 -5.3209 0.0440 C 0 0 0
- -11.9587 1.0110 0.3562 C 0 0 0
- -5.8383 3.2058 0.6476 O 0 0 0
- -5.7439 3.8256 -0.6366 C 0 0 0
- -5.1873 5.2421 -0.4795 C 0 0 0
- -6.1728 6.0812 0.2152 N 0 0 0
- -5.5011 6.6262 1.4025 C 0 0 0
- -6.4562 7.2194 -0.6692 C 0 0 0
- 14.4967 0.3113 -0.0335 C 0 0 0
- 13.5245 1.4860 0.0923 C 0 0 0
- 15.6071 0.4543 1.0093 C 0 0 0
- 13.7557 -0.9808 0.1958 C 0 0 0
- 15.0703 0.3056 -1.3423 O 0 0 0
- 12.4308 1.3450 -0.9349 C 0 0 0
- 16.5646 -0.7027 0.8854 C 0 0 0
- 13.1329 -1.1990 1.3647 O 0 0 0
- 13.7222 -1.8203 -0.6725 O 0 0 0
- 11.4586 2.2673 -1.0109 O 0 0 0
- 12.4291 0.4018 -1.6900 O 0 0 0
- 17.6248 -0.7872 1.7044 O 0 0 0
- 16.3781 -1.5544 0.0489 O 0 0 0
- -9.3001 -4.1216 0.0000 H 0 0 0
- -8.8889 -3.3516 0.0000 H 0 0 0
- -6.3310 -0.5458 0.0000 H 0 0 0
- -7.9134 0.5149 0.0000 H 0 0 0
- -5.7261 -2.8889 0.0000 H 0 0 0
- -7.6409 -4.1576 0.0000 H 0 0 0
- -9.9834 0.2513 0.0000 H 0 0 0
- -11.1037 -1.4421 0.0000 H 0 0 0
- -10.9754 -3.8014 0.0000 H 0 0 0
- -10.7877 -4.9349 0.0000 H 0 0 0
- -9.6542 -4.7472 0.0000 H 0 0 0
- -5.7649 0.8643 0.0000 H 0 0 0
- -7.3494 1.9177 0.0000 H 0 0 0
- -4.6657 -4.2970 0.0000 H 0 0 0
- -6.5787 -5.5588 0.0000 H 0 0 0
- -11.0317 1.4266 0.0000 H 0 0 0
- -12.1556 -0.2586 0.0000 H 0 0 0
- -4.8554 -5.9863 0.0000 H 0 0 0
- -12.5455 1.5728 0.0000 H 0 0 0
- -6.2960 4.4215 0.0000 H 0 0 0
- -6.5205 3.5871 0.0000 H 0 0 0
- -4.4685 4.8636 0.0000 H 0 0 0
- -4.7319 5.9148 0.0000 H 0 0 0
- -4.9893 5.9954 0.0000 H 0 0 0
- -4.8703 7.1380 0.0000 H 0 0 0
- -6.0129 7.2570 0.0000 H 0 0 0
- -5.6679 7.4157 0.0000 H 0 0 0
- -6.6525 8.0077 0.0000 H 0 0 0
- -7.2445 7.0231 0.0000 H 0 0 0
- 14.2360 1.8781 0.0000 H 0 0 0
- 13.2721 2.2582 0.0000 H 0 0 0
- 16.3186 0.8463 0.0000 H 0 0 0
- 15.3548 1.2265 0.0000 H 0 0 0
- 15.8826 0.2975 0.0000 H 0 0 0
- 12.3662 -1.4676 0.0000 H 0 0 0
- 10.8692 2.8264 0.0000 H 0 0 0
- 18.4346 -0.8517 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 2 0
- 12 19 1 0
- 14 20 2 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 1 0
- 29 30 1 0
- 29 31 1 0
- 29 32 1 0
- 29 33 1 0
- 30 34 1 0
- 31 35 1 0
- 32 36 1 0
- 32 37 2 0
- 34 38 1 0
- 34 39 2 0
- 35 40 1 0
- 35 41 2 0
- 15 20 1 0
- 17 21 2 0
- 19 22 2 0
- 6 42 1 0
- 6 43 1 0
- 7 44 1 0
- 8 45 1 0
- 9 46 1 0
- 10 47 1 0
- 11 48 1 0
- 12 49 1 0
- 13 50 1 0
- 13 51 1 0
- 13 52 1 0
- 14 53 1 0
- 15 54 1 0
- 16 55 1 0
- 17 56 1 0
- 18 57 1 0
- 19 58 1 0
- 21 59 1 0
- 22 60 1 0
- 24 61 1 0
- 24 62 1 0
- 25 63 1 0
- 25 64 1 0
- 27 65 1 0
- 27 66 1 0
- 27 67 1 0
- 28 68 1 0
- 28 69 1 0
- 28 70 1 0
- 30 71 1 0
- 30 72 1 0
- 31 73 1 0
- 31 74 1 0
- 33 75 1 0
- 36 76 1 0
- 38 77 1 0
- 40 78 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-44-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.2856 0.7050 -0.0019 C 0 0 0
- -0.2856 -0.7050 -0.0012 C 0 0 0
- 1.1344 1.1106 -0.0006 C 0 0 0
- -1.4886 1.3941 0.0016 C 0 0 0
- 1.1344 -1.1106 0.0005 C 0 0 0
- -1.4886 -1.3941 -0.0022 C 0 0 0
- 1.8980 0.0000 0.0007 O 0 0 0
- 1.5451 2.2531 -0.0013 O 0 0 0
- -2.6829 0.6913 0.0056 C 0 0 0
- 1.5451 -2.2530 0.0020 O 0 0 0
- -2.6829 -0.6913 -0.0038 C 0 0 0
- -1.4947 2.4334 0.0000 H 0 0 0
- -1.4947 -2.4334 0.0000 H 0 0 0
- -3.5851 1.2072 0.0000 H 0 0 0
- -3.5851 -1.2072 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 5 7 1 0
- 9 11 1 0
- 4 12 1 0
- 6 13 1 0
- 9 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134-20-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.1863 0.1867 -0.1107 C 0 0 0
- 0.9991 -0.9251 0.1622 C 0 0 0
- 0.7714 1.4457 -0.2741 C 0 0 0
- -1.2730 0.0264 -0.2302 C 0 0 0
- 2.3751 -0.7613 0.2667 C 0 0 0
- 0.4313 -2.1812 0.3272 N 0 0 0
- 2.1371 1.5877 -0.1667 C 0 0 0
- -2.0939 0.6752 0.6192 O 0 0 0
- -1.7368 -0.6908 -1.0946 O 0 0 0
- 2.9369 0.4879 0.1028 C 0 0 0
- -3.5325 0.5173 0.5015 C 0 0 0
- 0.1715 2.2866 0.0000 H 0 0 0
- 2.9864 -1.5939 0.0000 H 0 0 0
- -0.5966 -2.2833 0.0000 H 0 0 0
- 1.0337 -3.0203 0.0000 H 0 0 0
- 2.5575 2.5312 0.0000 H 0 0 0
- 3.9643 0.5942 0.0000 H 0 0 0
- -3.6452 1.5441 0.0000 H 0 0 0
- -4.5593 0.4046 0.0000 H 0 0 0
- -3.4198 -0.5095 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114-26-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -0.2664 -0.8109 0.4486 C 0 0 0
- -1.1545 -0.0752 -0.3301 C 0 0 0
- 0.9187 -0.2643 0.8316 O 0 0 0
- -0.5946 -2.0998 0.8378 C 0 0 0
- -2.3607 -0.6368 -0.7177 C 0 0 0
- -0.8393 1.1917 -0.7102 O 0 0 0
- 1.9759 -0.2971 -0.0018 C 0 0 0
- -1.8019 -2.6518 0.4526 C 0 0 0
- -2.6793 -1.9249 -0.3308 C 0 0 0
- -1.2965 2.0603 0.3283 C 0 0 0
- 3.1756 0.1551 0.4135 N 0 0 0
- 1.8481 -0.7346 -1.1283 O 0 0 0
- -0.1083 2.8281 0.9110 C 0 0 0
- -2.3117 3.0508 -0.2455 C 0 0 0
- 4.3258 0.1194 -0.4932 C 0 0 0
- 0.1568 -2.7271 0.0000 H 0 0 0
- -3.1164 -0.0147 0.0000 H 0 0 0
- -1.9303 -3.6222 0.0000 H 0 0 0
- -3.6090 -2.2312 0.0000 H 0 0 0
- -2.0809 1.4749 0.0000 H 0 0 0
- 3.0151 1.1207 0.0000 H 0 0 0
- 0.4229 2.0060 0.0000 H 0 0 0
- 0.7138 3.3593 0.0000 H 0 0 0
- -0.6395 3.6502 0.0000 H 0 0 0
- -1.6282 3.7514 0.0000 H 0 0 0
- -3.0123 3.7343 0.0000 H 0 0 0
- -2.9952 2.3502 0.0000 H 0 0 0
- 4.2954 -0.8589 0.0000 H 0 0 0
- 5.3041 0.0890 0.0000 H 0 0 0
- 4.3562 1.0977 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 1 0
- 8 9 1 0
- 4 16 1 0
- 5 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121808-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.0443 -0.6269 0.2188 N 0 0 0
- -1.4952 0.5679 -0.4746 C 0 0 2
- 0.2652 -0.8911 0.3975 C 0 0 0
- -2.0971 -1.5349 0.7237 C 0 0 0
- -0.9792 1.7744 0.2664 C 0 0 0
- -3.0334 0.6912 -0.6038 C 0 0 0
- 1.3059 -0.0175 -0.2542 C 0 0 1
- 0.6060 -1.8319 1.0829 O 0 0 0
- -3.5195 -1.0731 -0.3606 S 0 0 0
- -1.2630 3.0081 -0.1798 O 0 0 0
- -0.3101 1.6311 1.2623 O 0 0 0
- 2.4918 0.0863 0.6043 N 0 0 0
- 1.8022 -0.6652 -1.5660 C 0 0 0
- 3.6237 -0.0443 -0.1088 C 0 0 0
- 3.2962 -0.2665 -1.5689 C 0 0 0
- 4.7446 0.0090 0.3514 O 0 0 0
- -0.5376 0.5472 0.0000 H 0 0 0
- -2.5526 -2.3774 0.0000 H 0 0 0
- -1.3508 -2.1352 0.0000 H 0 0 0
- -2.8970 1.6392 0.0000 H 0 0 0
- -3.9710 0.8870 0.0000 H 0 0 0
- 0.9393 0.8673 0.0000 H 0 0 0
- -1.4777 3.9415 0.0000 H 0 0 0
- 2.5050 1.0440 0.0000 H 0 0 0
- 0.9724 -1.1434 0.0000 H 0 0 0
- 2.1679 -1.5504 0.0000 H 0 0 0
- 3.1521 -1.2134 0.0000 H 0 0 0
- 4.1062 -0.7776 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 7 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 6 9 1 0
- 14 15 1 0
- 2 17 1 0
- 4 18 1 0
- 4 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18691-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -1.8987 0.7077 -0.0024 C 0 0 0
- -1.9768 -0.7036 -0.0016 C 0 0 0
- -0.6509 1.2247 -0.0019 N 0 0 0
- -3.1312 1.4011 0.0021 C 0 0 0
- -0.2644 -1.1771 -0.0003 S 0 0 0
- -3.1713 -1.3795 -0.0015 C 0 0 0
- 0.4246 0.4721 -0.0009 C 0 0 0
- -4.3190 0.7178 0.0069 C 0 0 0
- -4.3577 -0.6691 -0.0022 C 0 0 0
- 1.7549 0.8578 -0.0007 N 0 0 0
- 2.7271 -0.0756 0.0005 C 0 0 0
- 2.1051 2.2803 -0.0018 C 0 0 0
- 4.0216 0.2997 0.0007 N 0 0 0
- 2.4365 -1.2561 0.0015 O 0 0 0
- 5.0784 -0.7148 0.0020 C 0 0 0
- -3.1362 2.4391 0.0000 H 0 0 0
- -3.1841 -2.4174 0.0000 H 0 0 0
- -5.2102 1.2500 0.0000 H 0 0 0
- -5.2678 -1.1683 0.0000 H 0 0 0
- 3.1130 2.0322 0.0000 H 0 0 0
- 2.3532 3.2882 0.0000 H 0 0 0
- 1.0972 2.5284 0.0000 H 0 0 0
- 4.2697 1.3076 0.0000 H 0 0 0
- 4.3596 -1.4636 0.0000 H 0 0 0
- 5.8272 -1.4336 0.0000 H 0 0 0
- 5.7972 0.0340 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 13 15 1 0
- 5 7 1 0
- 8 9 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-64-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 47 1 V2000
- -1.1578 -0.5719 0.4048 C 0 0 0
- -2.2185 -0.3385 -0.3920 O 0 0 0
- -0.9420 0.1516 1.3561 O 0 0 0
- -0.2598 -1.7126 0.1250 C 0 0 0
- -3.1038 0.7782 -0.1137 C 0 0 0
- 1.1187 -1.4988 -0.0640 C 0 0 0
- -0.7715 -3.0055 0.0524 C 0 0 0
- -3.7043 1.2918 -1.4239 C 0 0 0
- -4.2280 0.3181 0.8167 C 0 0 0
- 1.6773 -0.1322 0.0157 C 0 0 0
- 1.9529 -2.5822 -0.3269 C 0 0 0
- 0.0720 -4.0688 -0.2096 C 0 0 0
- -4.6372 2.4684 -1.1306 C 0 0 0
- -5.1609 1.4948 1.1099 C 0 0 0
- 3.0099 0.0553 -0.0437 O 0 0 0
- 0.9346 0.8213 0.1348 O 0 0 0
- 1.4261 -3.8580 -0.4010 C 0 0 0
- -5.7613 2.0084 -0.2002 C 0 0 0
- 3.5584 1.3974 0.0346 C 0 0 0
- 5.0843 1.3308 -0.0563 C 0 0 0
- 5.6623 2.7450 0.0262 C 0 0 0
- 7.1881 2.6784 -0.0647 C 0 0 0
- -2.3583 1.4965 0.0000 H 0 0 0
- -1.7956 -3.1570 0.0000 H 0 0 0
- -4.7165 1.0749 0.0000 H 0 0 0
- -3.9587 0.2883 0.0000 H 0 0 0
- -5.0960 -0.2461 0.0000 H 0 0 0
- -3.7477 -0.5990 0.0000 H 0 0 0
- 2.9791 -2.4457 0.0000 H 0 0 0
- -0.3051 -5.0329 0.0000 H 0 0 0
- -3.7692 3.0326 0.0000 H 0 0 0
- -5.1175 3.3855 0.0000 H 0 0 0
- -4.1486 1.7116 0.0000 H 0 0 0
- -4.9065 2.4983 0.0000 H 0 0 0
- 2.0664 -4.6715 0.0000 H 0 0 0
- -6.2995 2.8927 0.0000 H 0 0 0
- -6.5498 1.3376 0.0000 H 0 0 0
- 3.7217 2.4197 0.0000 H 0 0 0
- 2.5616 1.6767 0.0000 H 0 0 0
- 4.9210 0.3085 0.0000 H 0 0 0
- 6.0811 1.0515 0.0000 H 0 0 0
- 5.8256 3.7673 0.0000 H 0 0 0
- 4.6655 3.0243 0.0000 H 0 0 0
- 7.1430 1.6442 0.0000 H 0 0 0
- 8.2223 2.6333 0.0000 H 0 0 0
- 7.2332 3.7126 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 6 1 0
- 12 7 2 0
- 13 8 1 0
- 14 9 1 0
- 15 10 1 0
- 16 10 2 0
- 17 11 2 0
- 18 13 1 0
- 19 15 1 0
- 20 19 1 0
- 21 20 1 0
- 22 21 1 0
- 12 17 1 0
- 14 18 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-133591-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.3570 -0.0699 0.0000 C 0 0 0
- -1.7564 -0.5339 0.0174 C 0 0 0
- -0.4029 1.3317 -0.0307 C 0 0 0
- 0.8712 -0.7270 0.0133 C 0 0 0
- -2.5576 0.6172 -0.0039 C 0 0 0
- -2.3480 -1.7946 0.0483 C 0 0 0
- -1.7293 1.7249 -0.0327 N 0 0 0
- 0.7874 2.0525 -0.0527 C 0 0 0
- 2.0392 0.0040 -0.0104 C 0 0 0
- 0.9225 -2.2325 0.0541 C 0 0 0
- -3.9429 0.4838 0.0061 C 0 0 0
- -3.7215 -1.9064 0.0578 C 0 0 0
- 1.9955 1.3895 -0.0438 C 0 0 0
- 0.7553 3.5588 -0.0859 C 0 0 0
- 3.3453 -0.6923 0.0042 N 0 3 0
- -4.5150 -0.7695 0.0367 C 0 0 0
- 4.0739 -0.5999 0.9758 O 0 0 0
- 3.6913 -1.3579 -0.9555 O 0 5 0
- -1.7541 -2.6505 0.0000 H 0 0 0
- -2.0573 2.7137 0.0000 H 0 0 0
- -0.1186 -2.2680 0.0000 H 0 0 0
- 0.9580 -3.2736 0.0000 H 0 0 0
- 1.9636 -2.1970 0.0000 H 0 0 0
- -4.5476 1.3321 0.0000 H 0 0 0
- -4.1653 -2.8489 0.0000 H 0 0 0
- 2.8835 1.9342 0.0000 H 0 0 0
- 1.7968 3.5810 0.0000 H 0 0 0
- 0.7331 4.6003 0.0000 H 0 0 0
- -0.2862 3.5366 0.0000 H 0 0 0
- -5.5525 -0.8637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 15 17 2 0
- 15 18 1 0
- 5 7 1 0
- 9 13 1 0
- 12 16 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-86-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.1728 -0.7486 -0.2518 C 0 0 0
- -1.2716 -0.6477 0.2427 C 0 0 0
- 0.9436 0.3163 0.3087 O 0 0 0
- -1.8267 0.6057 -0.1608 O 0 0 0
- 2.2753 0.1680 -0.1879 C 0 0 0
- -0.0840 -1.7322 0.0000 H 0 0 0
- 1.0921 -1.1824 0.0000 H 0 0 0
- -2.2553 -0.9038 0.0000 H 0 0 0
- -1.1777 -1.6599 0.0000 H 0 0 0
- -2.2383 1.5352 0.0000 H 0 0 0
- 2.1628 -0.8423 0.0000 H 0 0 0
- 3.2856 0.0555 0.0000 H 0 0 0
- 2.3878 1.1783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 1.1579 -0.2604 -0.0022 C 0 0 0
- 0.1289 -1.1902 -0.0017 C 0 0 0
- 0.8680 1.0962 -0.0016 C 0 0 0
- 2.4519 -0.6789 0.0024 O 0 0 0
- -1.1856 -0.7660 -0.0005 C 0 0 0
- -0.4456 1.5219 -0.0004 C 0 0 0
- 3.2659 0.4957 0.0006 C 0 0 0
- -1.4767 0.5915 0.0001 C 0 0 0
- -2.3036 -1.7765 0.0005 C 0 0 0
- -2.8082 1.0221 0.0017 N 0 0 0
- 0.3472 -2.2079 0.0000 H 0 0 0
- 1.6409 1.7934 0.0000 H 0 0 0
- -0.6629 2.5398 0.0000 H 0 0 0
- 4.1214 -0.0972 0.0000 H 0 0 0
- 3.8588 1.3512 0.0000 H 0 0 0
- 2.4104 1.0886 0.0000 H 0 0 0
- -3.0015 -1.0043 0.0000 H 0 0 0
- -3.0758 -2.4744 0.0000 H 0 0 0
- -1.6057 -2.5487 0.0000 H 0 0 0
- -3.0260 2.0399 0.0000 H 0 0 0
- -3.5807 0.3246 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 8 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3234-28-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- -6.2008 0.3885 -0.3548 C 0 0 0
- -7.4539 -0.4753 -0.1988 C 0 0 0
- -6.9926 0.3970 0.8348 O 0 0 0
- -4.9563 -0.4734 -0.1330 C 0 0 0
- -3.7032 0.3904 -0.2890 C 0 0 0
- -2.4588 -0.4716 -0.0672 C 0 0 0
- -1.2056 0.3923 -0.2232 C 0 0 0
- 0.0388 -0.4697 -0.0014 C 0 0 0
- 1.2920 0.3941 -0.1574 C 0 0 0
- 2.5364 -0.4678 0.0644 C 0 0 0
- 3.7896 0.3960 -0.0917 C 0 0 0
- 5.0340 -0.4660 0.1301 C 0 0 0
- 6.2872 0.3979 -0.0259 C 0 0 0
- 7.5316 -0.4641 0.1959 C 0 0 0
- 8.7847 0.3998 0.0399 C 0 0 0
- -5.8564 1.4704 0.0000 H 0 0 0
- -8.5807 -0.3359 0.0000 H 0 0 0
- -7.1838 -1.5781 0.0000 H 0 0 0
- -5.7103 -1.3223 0.0000 H 0 0 0
- -4.2042 -1.3239 0.0000 H 0 0 0
- -2.9492 1.2392 0.0000 H 0 0 0
- -4.4553 1.2410 0.0000 H 0 0 0
- -3.2128 -1.3204 0.0000 H 0 0 0
- -1.7067 -1.3222 0.0000 H 0 0 0
- -0.4516 1.2411 0.0000 H 0 0 0
- -1.9577 1.2429 0.0000 H 0 0 0
- -0.7152 -1.3185 0.0000 H 0 0 0
- 0.7908 -1.3203 0.0000 H 0 0 0
- 2.0460 1.2430 0.0000 H 0 0 0
- 0.5399 1.2447 0.0000 H 0 0 0
- 1.7824 -1.3167 0.0000 H 0 0 0
- 3.2885 -1.3184 0.0000 H 0 0 0
- 4.5436 1.2448 0.0000 H 0 0 0
- 3.0376 1.2466 0.0000 H 0 0 0
- 4.2800 -1.3148 0.0000 H 0 0 0
- 5.7861 -1.3166 0.0000 H 0 0 0
- 7.0412 1.2467 0.0000 H 0 0 0
- 5.5351 1.2485 0.0000 H 0 0 0
- 6.7776 -1.3130 0.0000 H 0 0 0
- 8.2837 -1.3146 0.0000 H 0 0 0
- 9.4291 -0.5350 0.0000 H 0 0 0
- 9.7195 1.0442 0.0000 H 0 0 0
- 8.1403 1.3346 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 2 3 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 15 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-205-99-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.1547 0.5828 -0.0039 C 0 0 0
- 0.4205 -0.8442 -0.0035 C 0 0 0
- 1.3395 1.3170 -0.0013 C 0 0 0
- -1.1205 1.1397 -0.0011 C 0 0 0
- 1.8934 -0.9675 -0.0012 C 0 0 0
- -0.6472 -1.6909 -0.0044 C 0 0 0
- 2.4437 0.3366 0.0008 C 0 0 0
- 1.2140 2.7000 -0.0017 C 0 0 0
- -2.2471 0.2033 0.0039 C 0 0 0
- -1.2158 2.5321 -0.0018 C 0 0 0
- 2.7423 -2.0696 -0.0008 C 0 0 0
- -1.9718 -1.1882 -0.0045 C 0 0 0
- 3.8279 0.4899 0.0046 C 0 0 0
- -0.0507 3.2778 -0.0042 C 0 0 0
- -3.5676 0.6503 0.0063 C 0 0 0
- 4.1106 -1.8927 0.0021 C 0 0 0
- -3.0524 -2.0875 -0.0025 C 0 0 0
- 4.6505 -0.6174 0.0060 C 0 0 0
- -4.5925 -0.2533 0.0119 C 0 0 0
- -4.3316 -1.6183 -0.0046 C 0 0 0
- -0.4872 -2.7226 0.0000 H 0 0 0
- 2.0659 3.3035 0.0000 H 0 0 0
- -2.1483 3.0017 0.0000 H 0 0 0
- 2.3425 -3.0341 0.0000 H 0 0 0
- 4.2448 1.4471 0.0000 H 0 0 0
- -0.1241 4.3193 0.0000 H 0 0 0
- -3.7731 1.6739 0.0000 H 0 0 0
- 4.7420 -2.7242 0.0000 H 0 0 0
- -2.8745 -3.1163 0.0000 H 0 0 0
- 5.6871 -0.4932 0.0000 H 0 0 0
- -5.5803 0.0847 0.0000 H 0 0 0
- -5.1274 -2.2941 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 2 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 15 19 1 0
- 17 20 1 0
- 5 7 1 0
- 9 12 1 0
- 10 14 1 0
- 16 18 2 0
- 19 20 2 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-05-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 1.3365 0.0118 -0.4613 C 0 0 0
- 0.2037 -0.7950 0.1190 C 0 0 0
- 2.3692 0.3207 0.2831 C 0 0 0
- -1.3244 0.1567 0.0201 Cl 0 0 0
- 0.8783 0.9488 0.0000 H 0 0 0
- -0.4592 -1.6003 0.0000 H 0 0 0
- 0.9151 -1.5578 0.0000 H 0 0 0
- 3.1277 -0.3953 0.0000 H 0 0 0
- 2.6100 1.3356 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16238-56-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 1.3702 -0.4519 0.1137 C 0 0 0
- 0.3141 0.4712 0.5330 C 0 0 0
- 2.7408 0.0619 -0.0237 C 0 0 0
- 1.0802 -1.7816 -0.1415 C 0 0 0
- -0.9930 0.0190 0.6735 C 0 0 0
- 0.6520 1.8682 0.8010 C 0 0 0
- 2.9982 1.4214 0.2507 C 0 0 0
- 3.7848 -0.7756 -0.4199 C 0 0 0
- -0.2317 -2.2434 0.0032 C 0 0 0
- 2.1726 -2.7261 -0.5724 C 0 0 0
- -1.2926 -1.3203 0.4125 C 0 0 0
- -2.0807 0.9684 1.1056 C 0 0 0
- 1.9169 2.3091 0.6663 C 0 0 0
- 4.3060 1.9094 0.1191 C 0 0 0
- 5.0583 -0.2668 -0.5396 C 0 0 0
- -0.5630 -3.5898 -0.2479 C 0 0 0
- -2.6068 -1.8136 0.5442 C 0 0 0
- -2.8901 1.8028 -0.4798 Br 0 0 0
- 5.3107 1.0723 -0.2701 C 0 0 0
- -1.8487 -4.0030 -0.0969 C 0 0 0
- -2.8609 -3.1222 0.2813 C 0 0 0
- -0.1167 2.5650 0.0000 H 0 0 0
- 3.6318 -1.8018 0.0000 H 0 0 0
- 1.4940 -3.5110 0.0000 H 0 0 0
- 2.9575 -3.4047 0.0000 H 0 0 0
- 2.8512 -1.9412 0.0000 H 0 0 0
- -3.0795 0.6874 0.0000 H 0 0 0
- -2.3088 -0.0437 0.0000 H 0 0 0
- 2.0986 3.3306 0.0000 H 0 0 0
- 4.4803 2.9322 0.0000 H 0 0 0
- 5.8595 -0.9260 0.0000 H 0 0 0
- 0.1958 -4.2974 0.0000 H 0 0 0
- -3.3992 -1.1438 0.0000 H 0 0 0
- 6.2871 1.4231 0.0000 H 0 0 0
- -2.0574 -5.0193 0.0000 H 0 0 0
- -3.8420 -3.4598 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 13 1 0
- 9 11 2 0
- 15 19 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.0000 0.0247 -0.0009 C 0 0 0
- -1.1672 0.6986 0.0009 N 0 0 0
- 1.1672 0.6986 0.0008 N 0 0 0
- 0.0000 -1.1911 0.0009 O 0 0 0
- -2.4359 -0.0339 -0.0010 C 0 0 0
- 2.4359 -0.0339 -0.0012 C 0 0 0
- -1.1672 1.7094 0.0000 H 0 0 0
- 1.1672 1.7094 0.0000 H 0 0 0
- -2.9413 0.8415 0.0000 H 0 0 0
- -3.3113 -0.5393 0.0000 H 0 0 0
- -1.9305 -0.9093 0.0000 H 0 0 0
- 1.9305 -0.9093 0.0000 H 0 0 0
- 3.3113 -0.5393 0.0000 H 0 0 0
- 2.9413 0.8415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1785-51-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.7213 -0.1718 -0.0019 C 0 0 0
- -0.6779 0.2857 -0.0008 C 0 0 0
- 1.7022 0.6989 -0.0008 C 0 0 0
- 0.9850 -1.6220 0.0021 C 0 0 0
- -1.7406 -0.7379 -0.0017 C 0 0 0
- -0.9651 1.5649 0.0003 C 0 0 0
- 3.0946 0.2196 -0.0014 C 0 0 0
- 1.3915 2.1382 0.0014 C 0 0 0
- -0.0239 -2.4626 0.0067 C 0 0 0
- 2.3786 -2.0981 0.0014 C 0 0 0
- -3.1415 -0.2732 -0.0007 C 0 0 0
- -1.4226 -2.0075 -0.0029 C 0 0 0
- 0.1382 2.5459 0.0006 C 0 0 0
- -2.3620 2.0226 0.0019 C 0 0 0
- 3.3685 -1.2291 -0.0029 C 0 0 0
- 4.0068 1.0085 -0.0001 O 0 0 0
- -3.3746 1.1872 0.0012 C 0 0 0
- -4.0605 -1.0542 -0.0018 O 0 0 0
- 2.2103 2.8775 0.0000 H 0 0 0
- 0.1845 -3.5459 0.0000 H 0 0 0
- 2.5930 -3.1802 0.0000 H 0 0 0
- -2.2291 -2.7601 0.0000 H 0 0 0
- -0.0876 3.6257 0.0000 H 0 0 0
- -2.5666 3.1066 0.0000 H 0 0 0
- 4.4115 -1.5884 0.0000 H 0 0 0
- -4.4065 1.5772 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 2 0
- 11 17 1 0
- 11 18 2 0
- 8 13 2 0
- 9 12 1 0
- 10 15 2 0
- 14 17 2 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-918-00-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0950 -0.0105 0.0000 C 0 0 0
- -1.4108 0.0498 0.0000 C 0 0 0
- 0.7635 1.6640 0.0000 Cl 0 0 0
- 0.6615 -0.8838 1.4721 Cl 0 0 0
- 0.6615 -0.8838 -1.4721 Cl 0 0 0
- -2.2159 -1.2241 0.0000 C 0 0 0
- -1.9723 1.1189 0.0000 O 0 0 0
- -3.0764 -0.6803 0.0000 H 0 0 0
- -2.7597 -2.0846 0.0000 H 0 0 0
- -1.3554 -1.7679 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 1 0
- 6 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-528-45-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4199 0.5022 -0.0340 C 0 0 0
- -0.8424 -0.8113 0.0725 C 0 0 0
- 0.9273 0.7959 -0.0684 C 0 0 0
- -1.4160 1.5939 -0.1174 N 0 3 0
- 0.0818 -1.8382 0.1458 C 0 0 0
- -2.2898 -1.1189 0.1088 N 0 3 0
- 1.8656 -0.2358 0.0047 C 0 0 0
- -2.4150 1.4558 -0.8003 O 0 0 0
- -1.2366 2.6302 0.4968 O 0 5 0
- 1.4324 -1.5585 0.1125 C 0 0 0
- -2.7281 -2.0618 -0.5255 O 0 0 0
- -3.0425 -0.4291 0.7730 O 0 5 0
- 3.3102 0.0712 -0.0321 C 0 0 0
- 4.2128 -0.9263 0.0386 O 0 0 0
- 3.6841 1.2231 -0.1260 O 0 0 0
- 1.2419 1.7813 0.0000 H 0 0 0
- -0.2405 -2.8211 0.0000 H 0 0 0
- 2.1217 -2.3299 0.0000 H 0 0 0
- 4.9069 -1.6933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 10 2 0
- 3 16 1 0
- 5 17 1 0
- 10 18 1 0
- 14 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-70-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 1.1811 1.0379 0.0443 C 0 0 0
- -0.0208 1.7356 0.2079 N 0 0 0
- 1.7080 0.8498 -1.2272 C 0 0 0
- 1.8509 0.5380 1.1533 C 0 0 0
- -1.2408 1.0537 0.1381 C 0 0 0
- 2.8942 0.1617 -1.3877 C 0 0 0
- 3.0374 -0.1500 0.9908 C 0 0 0
- -2.4345 1.7632 0.1401 C 0 0 0
- -1.2584 -0.3332 0.0608 C 0 0 0
- 3.5599 -0.3418 -0.2795 C 0 0 0
- -3.6381 1.0893 0.0711 C 0 0 0
- -2.4626 -1.0051 -0.0081 C 0 0 0
- 4.7282 -1.0195 -0.4386 O 0 0 0
- -3.6548 -0.2957 -0.0002 C 0 0 0
- 5.1629 -1.4053 0.8669 C 0 0 0
- -4.8404 -0.9584 -0.0680 O 0 0 0
- -4.5315 -2.3522 -0.1305 C 0 0 0
- -0.0124 2.7670 0.0000 H 0 0 0
- 2.1420 1.7855 0.0000 H 0 0 0
- 1.2828 -0.3229 0.0000 H 0 0 0
- 3.4651 1.0207 0.0000 H 0 0 0
- 2.5993 -1.0838 0.0000 H 0 0 0
- -2.4212 2.7946 0.0000 H 0 0 0
- -0.3723 -0.8611 0.0000 H 0 0 0
- -4.5248 1.6163 0.0000 H 0 0 0
- -2.4769 -2.0364 0.0000 H 0 0 0
- 4.4782 -2.1767 0.0000 H 0 0 0
- 5.9343 -2.0900 0.0000 H 0 0 0
- 5.8476 -0.6339 0.0000 H 0 0 0
- -5.5385 -2.5754 0.0000 H 0 0 0
- -4.3083 -3.3592 0.0000 H 0 0 0
- -3.5245 -2.1290 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 7 10 2 0
- 12 14 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20268-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.8047 0.5167 0.0036 C 0 0 0
- 0.0907 -0.7613 0.0013 C 0 0 0
- 2.2748 0.5020 0.0022 C 0 0 0
- 0.1055 1.7119 0.0013 C 0 0 0
- -1.2993 -0.7844 0.0020 C 0 0 0
- 0.8564 -2.0068 -0.0022 C 0 0 0
- 2.9519 -0.7355 -0.0012 C 0 0 0
- 3.0044 1.6919 0.0038 C 0 0 0
- -1.2927 1.6950 -0.0033 C 0 0 0
- -2.0103 0.4182 0.0049 C 0 0 0
- -2.0223 -2.0766 -0.0008 N 0 3 0
- 2.2026 -1.9879 -0.0034 C 0 0 0
- 4.3539 -0.7474 -0.0026 C 0 0 0
- 4.3803 1.6473 0.0020 C 0 0 0
- -2.0367 2.8917 -0.0062 C 0 0 0
- -3.4201 0.4330 0.0062 C 0 0 0
- -2.3191 -2.6107 1.0528 O 0 0 0
- -2.3203 -2.6054 -1.0568 O 0 5 0
- 5.0462 0.4284 -0.0005 C 0 0 0
- -3.3945 2.8368 -0.0110 C 0 0 0
- -4.0778 1.6218 0.0095 C 0 0 0
- 0.6211 2.6235 0.0000 H 0 0 0
- 0.3517 -2.9245 0.0000 H 0 0 0
- 2.5077 2.6139 0.0000 H 0 0 0
- 2.7256 -2.8953 0.0000 H 0 0 0
- 4.8698 -1.6588 0.0000 H 0 0 0
- 4.9291 2.5393 0.0000 H 0 0 0
- -1.5465 3.8172 0.0000 H 0 0 0
- -3.9567 -0.4664 0.0000 H 0 0 0
- 6.0934 0.4116 0.0000 H 0 0 0
- -3.9414 3.7300 0.0000 H 0 0 0
- -5.1251 1.6255 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 2 0
- 7 12 1 0
- 9 10 2 0
- 14 19 1 0
- 20 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-524-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- -0.0817 0.4090 -0.1428 C 0 0 0
- -0.1432 -0.9990 0.0135 C 0 0 0
- 1.1788 1.0375 -0.2095 C 0 0 0
- -1.2688 1.1554 -0.2230 C 0 0 0
- 0.9784 -1.7228 0.0942 N 0 0 0
- -1.4012 -1.6222 0.0838 C 0 0 0
- 2.3095 0.2309 -0.1167 C 0 0 0
- 1.2858 2.3805 -0.3592 O 0 0 0
- -2.4746 0.5218 -0.1463 C 0 0 0
- 2.1738 -1.1657 0.0361 C 0 0 0
- -2.5405 -0.8740 0.0017 C 0 0 0
- 3.7554 0.4880 -0.1403 C 0 0 0
- 1.4464 2.9305 0.9499 C 0 0 0
- -3.7493 1.0115 -0.1961 O 0 0 0
- 3.4219 -1.6766 0.0953 O 0 0 0
- -3.8555 -1.2403 0.0454 O 0 0 0
- 4.3472 -0.7050 -0.0083 C 0 0 0
- -4.5827 -0.0303 0.3442 C 0 0 0
- -1.2291 2.1784 0.0000 H 0 0 0
- -1.4632 -2.6441 0.0000 H 0 0 0
- 4.2165 1.4021 0.0000 H 0 0 0
- 2.4292 2.6435 0.0000 H 0 0 0
- 1.7334 3.9133 0.0000 H 0 0 0
- 0.4636 3.2175 0.0000 H 0 0 0
- 5.3595 -0.8582 0.0000 H 0 0 0
- -5.3011 0.6991 0.0000 H 0 0 0
- -5.3918 -0.6576 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 2 0
- 14 18 1 0
- 7 10 1 0
- 9 11 2 0
- 15 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105596-43-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- 0.2468 -0.6020 0.0449 C 0 0 0
- -0.9355 0.1401 0.0888 C 0 0 0
- 1.5676 0.0341 0.0615 C 0 0 0
- 0.1748 -2.0132 -0.0118 C 0 0 0
- -0.8775 1.6479 0.1555 C 0 0 0
- -2.1434 -0.4941 0.0720 C 0 0 0
- 1.7236 1.4206 0.1229 C 0 0 0
- 2.7168 -0.7888 0.0132 C 0 0 0
- -1.0809 -2.6367 -0.0210 C 0 0 0
- 1.3625 -2.7796 -0.0589 C 0 0 0
- 0.5073 2.3147 0.1738 C 0 0 0
- -0.2501 2.1489 -1.0266 O 0 0 0
- -2.2157 -1.8811 0.0113 C 0 0 0
- -3.3898 0.3030 0.1194 N 0 3 0
- 2.9725 1.9695 0.1369 C 0 0 0
- 2.5765 -2.1947 -0.0499 C 0 0 0
- 3.9871 -0.1956 0.0290 C 0 0 0
- -3.5258 1.1711 0.9629 O 0 0 0
- -4.2794 0.0908 -0.6850 O 0 5 0
- 4.1031 1.1618 0.0899 C 0 0 0
- -1.8118 2.1198 0.0000 H 0 0 0
- -1.1471 -3.6813 0.0000 H 0 0 0
- 1.2976 -3.8243 0.0000 H 0 0 0
- 0.7247 3.3386 0.0000 H 0 0 0
- -3.1509 -2.3511 0.0000 H 0 0 0
- 3.0802 3.0106 0.0000 H 0 0 0
- 3.4340 -2.7949 0.0000 H 0 0 0
- 4.8453 -0.7949 0.0000 H 0 0 0
- 5.0534 1.6006 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 8 17 1 0
- 14 18 2 0
- 14 19 1 0
- 15 20 1 0
- 7 11 1 0
- 9 13 2 0
- 10 16 2 0
- 11 12 1 0
- 17 20 2 0
- 5 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57564-91-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- -1.3554 0.0858 -0.0041 C 0 0 1
- -2.5290 0.9580 0.3605 C 0 0 0
- -0.1440 0.6046 0.6359 N 0 0 0
- -1.6137 -1.3437 0.4761 C 0 0 0
- -3.7562 0.6708 -0.1171 N 0 0 0
- -2.3693 1.9183 1.0838 O 0 0 0
- 1.0561 0.4306 0.0478 C 0 0 0
- -0.2041 -2.3912 0.0381 S 0 0 0
- -4.8971 1.5186 0.2375 C 0 0 0
- 2.3023 0.9643 0.7061 C 0 0 0
- 1.1333 -0.1553 -1.0113 O 0 0 0
- -0.2105 -3.9051 0.4147 N 0 0 0
- -6.1432 0.9850 -0.4209 C 0 0 0
- 3.5185 0.6350 -0.1618 C 0 0 0
- 0.7381 -4.6100 0.1200 O 0 0 0
- -7.3186 1.6064 -0.2362 O 0 0 0
- -6.0843 -0.0022 -1.1150 O 0 0 0
- 4.7837 1.1768 0.5066 C 0 0 1
- 5.9817 0.8524 -0.3482 C 0 0 0
- 4.6712 2.6335 0.6595 N 0 0 0
- 6.6469 -0.2985 -0.1624 O 0 0 0
- 6.3433 1.6284 -1.2008 O 0 0 0
- -0.5755 -0.5352 0.0000 H 0 0 0
- -0.2736 1.5931 0.0000 H 0 0 0
- -2.5562 -1.0186 0.0000 H 0 0 0
- -2.0791 -2.2254 0.0000 H 0 0 0
- -3.9588 -0.3054 0.0000 H 0 0 0
- -4.1717 2.2026 0.0000 H 0 0 0
- -5.4437 2.3524 0.0000 H 0 0 0
- 2.8361 1.8063 0.0000 H 0 0 0
- 1.6561 1.7235 0.0000 H 0 0 0
- 2.9847 -0.2070 0.0000 H 0 0 0
- 4.1647 -0.1242 0.0000 H 0 0 0
- -8.2000 2.0724 0.0000 H 0 0 0
- 4.8535 0.1823 0.0000 H 0 0 0
- 5.4937 3.1970 0.0000 H 0 0 0
- 3.7720 3.0640 0.0000 H 0 0 0
- 7.1458 -1.1617 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 2 0
- 1 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 14 32 1 0
- 14 33 1 0
- 16 34 1 0
- 18 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-40277-05-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 0.5226 0.6963 0.0762 P 0 0 0
- -0.6385 -0.4870 0.3665 N 0 0 0
- 1.9852 0.3432 0.8221 N 0 0 0
- 1.0903 0.6306 -1.4241 O 0 0 0
- 0.0293 2.0465 0.4285 O 0 0 0
- -1.8580 -0.0626 -0.3339 C 0 0 0
- -0.1717 -1.7092 -0.3016 C 0 0 0
- 2.8578 1.5085 0.6447 C 0 0 0
- 1.8877 1.7925 -1.6365 C 0 0 0
- -2.8787 0.4498 0.6843 C 0 0 0
- 0.2198 -2.7481 0.7512 C 0 0 0
- 3.1885 1.6794 -0.8395 C 0 0 0
- 2.1920 2.6793 1.1222 O 0 0 0
- -4.3755 0.9707 -0.1752 Cl 0 0 0
- 0.7926 -4.2482 -0.0687 Cl 0 0 0
- 2.3274 -0.6072 0.0000 H 0 0 0
- -2.6770 -0.6540 0.0000 H 0 0 0
- -1.7118 -1.0621 0.0000 H 0 0 0
- 0.8253 -1.8719 0.0000 H 0 0 0
- 0.4665 -0.9262 0.0000 H 0 0 0
- 3.5105 0.7375 0.0000 H 0 0 0
- 2.1457 2.7691 0.0000 H 0 0 0
- 0.9695 2.2135 0.0000 H 0 0 0
- -2.0597 1.0412 0.0000 H 0 0 0
- -3.0249 1.4493 0.0000 H 0 0 0
- -0.7772 -2.5854 0.0000 H 0 0 0
- -0.4184 -3.5311 0.0000 H 0 0 0
- 3.9220 0.9849 0.0000 H 0 0 0
- 3.6026 2.6008 0.0000 H 0 0 0
- 1.6926 3.5574 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 8 13 1 0
- 10 14 1 0
- 11 15 1 0
- 9 12 1 0
- 3 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2516-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.0804 -0.1845 0.0000 O 0 0 0
- -1.1757 0.7334 0.0000 C 0 0 0
- 1.1148 0.5987 0.0000 C 0 0 0
- -2.4733 -0.0329 0.0000 C 0 0 0
- 2.3320 -0.3283 0.0000 C 0 0 0
- -2.4613 -1.2411 0.0000 O 0 0 0
- -3.6423 0.6267 0.0000 O 0 0 0
- 3.6117 0.5103 0.0000 C 0 0 0
- 4.8289 -0.4168 0.0000 C 0 0 0
- -0.3777 1.4919 0.0000 H 0 0 0
- -1.8391 1.6121 0.0000 H 0 0 0
- 1.8766 1.3936 0.0000 H 0 0 0
- 0.4111 1.4455 0.0000 H 0 0 0
- 1.5702 -1.1232 0.0000 H 0 0 0
- 3.0357 -1.1751 0.0000 H 0 0 0
- -4.6012 1.1678 0.0000 H 0 0 0
- 4.3735 1.3052 0.0000 H 0 0 0
- 2.9080 1.3571 0.0000 H 0 0 0
- 4.1618 -1.2927 0.0000 H 0 0 0
- 5.7048 -1.0839 0.0000 H 0 0 0
- 5.4960 0.4591 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27093-62-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 0.7317 0.4855 -0.0029 C 0 0 0
- -0.7317 0.4855 -0.0011 C 0 0 0
- 1.1331 1.8244 -0.0014 C 0 0 0
- 1.7479 -0.5604 -0.0004 C 0 0 0
- -1.1330 1.8244 0.0015 C 0 0 0
- -1.7479 -0.5604 -0.0014 C 0 0 0
- 0.0000 2.6124 0.0012 N 0 0 0
- 2.4987 2.1427 -0.0027 C 0 0 0
- 3.1129 -0.1834 -0.0036 C 0 0 0
- 1.4069 -1.9179 0.0055 C 0 0 0
- -2.4987 2.1427 0.0033 C 0 0 0
- -3.1129 -0.1834 0.0010 C 0 0 0
- -1.4069 -1.9179 -0.0044 C 0 0 0
- 0.0000 4.0774 0.0034 C 0 0 0
- 3.4550 1.1827 -0.0053 C 0 0 0
- 4.1004 -1.1813 -0.0012 C 0 0 0
- 2.3915 -2.8614 0.0080 C 0 0 0
- -3.4550 1.1827 0.0027 C 0 0 0
- -4.1004 -1.1813 0.0007 C 0 0 0
- -2.3915 -2.8613 -0.0051 C 0 0 0
- 3.7339 -2.4934 0.0041 C 0 0 0
- -3.7340 -2.4934 -0.0019 C 0 0 0
- 2.7880 3.1518 0.0000 H 0 0 0
- 0.3981 -2.2083 0.0000 H 0 0 0
- -2.7880 3.1518 0.0000 H 0 0 0
- -0.3981 -2.2083 0.0000 H 0 0 0
- 1.0498 4.0774 0.0000 H 0 0 0
- 0.0000 5.1272 0.0000 H 0 0 0
- -1.0498 4.0774 0.0000 H 0 0 0
- 4.4670 1.4617 0.0000 H 0 0 0
- 5.1165 -0.9176 0.0000 H 0 0 0
- 2.1336 -3.8790 0.0000 H 0 0 0
- -4.4670 1.4617 0.0000 H 0 0 0
- -5.1165 -0.9176 0.0000 H 0 0 0
- -2.1335 -3.8789 0.0000 H 0 0 0
- 4.4744 -3.2375 0.0000 H 0 0 0
- -4.4745 -3.2375 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 2 0
- 12 19 1 0
- 13 20 2 0
- 16 21 2 0
- 19 22 2 0
- 5 7 1 0
- 9 15 1 0
- 12 18 1 0
- 17 21 1 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23250-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.4180 0.2671 -0.0053 C 0 0 0
- -0.1851 -1.1333 -0.0035 C 0 0 0
- 0.6789 1.1516 -0.0040 C 0 0 0
- -1.7368 0.7529 -0.0024 C 0 0 0
- 1.0563 -1.6170 -0.0002 N 0 0 0
- -1.2916 -2.0072 -0.0047 C 0 0 0
- 1.9721 0.5931 -0.0010 C 0 0 0
- 0.4927 2.5175 -0.0061 N 0 0 0
- -2.7782 -0.1241 0.0020 C 0 0 0
- 2.1224 -0.8189 0.0011 C 0 0 0
- -2.5531 -1.5018 -0.0077 C 0 0 0
- 3.1131 1.4138 0.0005 C 0 0 0
- -4.4063 0.4784 0.0061 Cl 0 0 0
- 3.4227 -1.3644 0.0046 C 0 0 0
- 4.3502 0.8477 0.0034 C 0 0 0
- 4.5024 -0.5390 0.0064 C 0 0 0
- -1.9181 1.7877 0.0000 H 0 0 0
- -1.1411 -3.0469 0.0000 H 0 0 0
- 1.3232 3.1608 0.0000 H 0 0 0
- -0.4797 2.9151 0.0000 H 0 0 0
- -3.3727 -2.1590 0.0000 H 0 0 0
- 3.0112 2.4594 0.0000 H 0 0 0
- 3.5565 -2.4064 0.0000 H 0 0 0
- 5.2018 1.4628 0.0000 H 0 0 0
- 5.4682 -0.9523 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 10 1 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-51-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.3200 0.9466 0.0017 C 0 0 0
- -0.2969 -0.2989 0.0001 C 0 0 0
- 1.7062 1.0312 0.0019 C 0 0 0
- -0.4528 2.1110 -0.0026 N 0 0 0
- 0.4708 -1.4481 -0.0014 C 0 0 0
- -2.0293 -0.4108 0.0005 Cl 0 0 0
- 2.4672 -0.1214 0.0004 C 0 0 0
- 1.8507 -1.3593 -0.0012 C 0 0 0
- 2.1706 1.9611 0.0000 H 0 0 0
- 0.0098 3.0418 0.0000 H 0 0 0
- -1.4902 2.0462 0.0000 H 0 0 0
- 0.0105 -2.3800 0.0000 H 0 0 0
- 3.5047 -0.0583 0.0000 H 0 0 0
- 2.4259 -2.2250 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-95-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.7344 -0.1031 0.1125 C 0 0 0
- -0.7344 0.1031 0.1125 C 0 0 0
- 1.5831 0.9239 -0.2976 C 0 0 0
- 1.2676 -1.3221 0.5279 C 0 0 0
- -1.5831 -0.9240 -0.2976 C 0 0 0
- -1.2676 1.3221 0.5279 C 0 0 0
- 2.9535 0.7280 -0.2964 C 0 0 0
- 2.6343 -1.5150 0.5283 C 0 0 0
- -2.9535 -0.7280 -0.2964 C 0 0 0
- -2.6343 1.5150 0.5282 C 0 0 0
- 3.4815 -0.4966 0.1151 C 0 0 0
- 3.8090 1.7572 -0.7081 N 0 0 0
- -3.4815 0.4966 0.1152 C 0 0 0
- -3.8090 -1.7572 -0.7081 N 0 0 0
- 4.8667 -0.6957 0.1167 N 0 0 0
- -4.8667 0.6957 0.1167 N 0 0 0
- 1.2210 1.8601 0.0000 H 0 0 0
- 0.6607 -2.1216 0.0000 H 0 0 0
- -1.2210 -1.8602 0.0000 H 0 0 0
- -0.6607 2.1216 0.0000 H 0 0 0
- 2.9957 -2.4514 0.0000 H 0 0 0
- -2.9957 2.4514 0.0000 H 0 0 0
- 4.7983 1.5875 0.0000 H 0 0 0
- 3.4613 2.6988 0.0000 H 0 0 0
- -4.7983 -1.5875 0.0000 H 0 0 0
- -3.4613 -2.6988 0.0000 H 0 0 0
- 5.2398 -1.6275 0.0000 H 0 0 0
- 5.4871 0.0933 0.0000 H 0 0 0
- -5.2398 1.6275 0.0000 H 0 0 0
- -5.4871 -0.0933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 8 11 1 0
- 10 13 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.0241 -0.7362 -0.0014 C 0 0 0
- -1.2300 -0.0626 -0.0006 C 0 0 0
- 1.1678 -0.0233 -0.0009 C 0 0 0
- -0.0018 -2.2431 0.0035 C 0 0 0
- -1.2514 1.3199 0.0007 C 0 0 0
- -2.5238 -0.8353 -0.0016 C 0 0 0
- 1.1427 1.3658 0.0005 C 0 0 0
- 2.3890 -0.7013 -0.0012 N 0 0 0
- -0.0663 2.0329 0.0012 C 0 0 0
- -1.0433 -2.2585 0.0000 H 0 0 0
- 0.0136 -3.2846 0.0000 H 0 0 0
- 1.0397 -2.2277 0.0000 H 0 0 0
- -2.1621 1.8255 0.0000 H 0 0 0
- -3.0579 0.0590 0.0000 H 0 0 0
- -3.4181 -1.3694 0.0000 H 0 0 0
- -1.9897 -1.7296 0.0000 H 0 0 0
- 2.0349 1.9034 0.0000 H 0 0 0
- 2.4065 -1.7428 0.0000 H 0 0 0
- 3.2822 -0.1654 0.0000 H 0 0 0
- -0.0858 3.0743 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 7 9 2 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39081-15-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -0.1086 0.5401 -0.0044 C 0 0 0
- 0.0716 -0.8649 -0.0031 C 0 0 0
- 1.0673 1.4309 -0.0033 C 0 0 0
- -1.3837 1.0813 -0.0010 C 0 0 0
- 1.4349 -1.4291 -0.0005 C 0 0 0
- -1.0262 -1.7090 -0.0038 C 0 0 0
- 2.3630 0.8871 -0.0007 C 0 0 0
- 0.8999 2.8166 -0.0042 C 0 0 0
- -2.4991 0.2367 0.0033 C 0 0 0
- 2.5509 -0.5749 0.0007 C 0 0 0
- 1.6247 -2.8118 0.0012 C 0 0 0
- -2.3197 -1.1714 -0.0061 C 0 0 0
- 3.4683 1.7397 0.0008 C 0 0 0
- 2.0035 3.6411 -0.0026 C 0 0 0
- -3.8089 0.7655 0.0065 C 0 0 0
- 3.8362 -1.1194 0.0037 C 0 0 0
- 2.9012 -3.3297 0.0042 C 0 0 0
- -3.4511 -2.0095 -0.0064 C 0 0 0
- 3.2825 3.1046 -0.0001 C 0 0 0
- -4.8788 -0.0829 0.0103 C 0 0 0
- -4.0030 2.1095 0.0063 O 0 0 0
- 4.0026 -2.4868 0.0054 C 0 0 0
- -4.6975 -1.4644 -0.0081 C 0 0 0
- -1.5125 2.1202 0.0000 H 0 0 0
- -0.8897 -2.7469 0.0000 H 0 0 0
- -0.0625 3.2286 0.0000 H 0 0 0
- 0.7983 -3.4544 0.0000 H 0 0 0
- 4.4368 1.3425 0.0000 H 0 0 0
- 1.8759 4.6801 0.0000 H 0 0 0
- 4.6724 -0.4896 0.0000 H 0 0 0
- 3.0409 -4.3672 0.0000 H 0 0 0
- -3.3334 -3.0497 0.0000 H 0 0 0
- 4.1130 3.7418 0.0000 H 0 0 0
- -5.8490 0.3102 0.0000 H 0 0 0
- -4.1526 3.1456 0.0000 H 0 0 0
- 4.9675 -2.8928 0.0000 H 0 0 0
- -5.5343 -2.0933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 2 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 22 1 0
- 20 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-01-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.0318 0.0001 -0.3684 N 0 0 0
- -0.3556 -1.1792 0.1861 C 0 0 0
- -0.3556 1.1792 0.1864 C 0 0 0
- -2.3958 0.0000 0.1770 C 0 0 0
- 1.1122 -1.1792 -0.2423 C 0 0 0
- 1.1122 1.1792 -0.2420 C 0 0 0
- 1.7883 0.0000 0.3125 N 0 0 0
- -1.3144 -1.5260 0.0000 H 0 0 0
- -0.1796 -2.1834 0.0000 H 0 0 0
- -0.1795 2.1834 0.0000 H 0 0 0
- -1.3143 1.5261 0.0000 H 0 0 0
- -2.3959 1.0196 0.0000 H 0 0 0
- -3.4154 -0.0001 0.0000 H 0 0 0
- -2.3957 -1.0196 0.0000 H 0 0 0
- 0.9362 -2.1834 0.0000 H 0 0 0
- 2.0710 -1.5260 0.0000 H 0 0 0
- 2.0710 1.5260 0.0000 H 0 0 0
- 0.9362 2.1834 0.0000 H 0 0 0
- 2.8079 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105-45-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.7514 0.1433 -0.0007 C 0 0 0
- -0.4862 1.0031 0.0006 C 0 0 0
- 1.9658 0.7150 -0.0001 O 0 0 0
- 0.6505 -1.0608 0.0028 O 0 0 0
- -1.7094 0.1228 -0.0004 C 0 0 0
- 3.1583 -0.1135 -0.0013 C 0 0 0
- -3.0833 0.7420 0.0007 C 0 0 0
- -1.5886 -1.0787 -0.0020 O 0 0 0
- 0.2323 1.8215 0.0000 H 0 0 0
- -1.2182 1.8095 0.0000 H 0 0 0
- 2.5369 -1.0079 0.0000 H 0 0 0
- 4.0527 -0.7349 0.0000 H 0 0 0
- 3.7797 0.7809 0.0000 H 0 0 0
- -2.6358 1.7349 0.0000 H 0 0 0
- -4.0762 1.1895 0.0000 H 0 0 0
- -3.5308 -0.2509 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 2 0
- 2 9 1 0
- 2 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126572-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.1747 0.6660 0.4600 C 0 0 0
- 0.7882 -0.4095 -0.0296 C 0 0 0
- -1.3260 0.7787 0.3813 C 0 0 0
- 0.9806 1.7679 1.0984 C 0 0 0
- 2.2569 -0.4572 -0.0842 C 0 0 0
- -0.1458 -1.7556 -0.6034 Cl 0 0 0
- -1.8445 0.7060 -1.3440 Cl 0 0 0
- -2.0794 -0.5822 1.2931 Cl 0 0 0
- 1.0642 2.8776 0.2019 O 0 0 0
- 2.9431 -1.1619 0.8375 O 0 0 0
- 2.8521 0.1388 -0.9603 O 0 0 0
- -1.3574 1.7544 0.0000 H 0 0 0
- 1.5328 0.9628 0.0000 H 0 0 0
- 1.9233 2.0217 0.0000 H 0 0 0
- 1.1375 3.8511 0.0000 H 0 0 0
- 3.6242 -1.8613 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136-35-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 2.3738 0.4377 -0.0012 C 0 0 0
- 1.1685 1.1438 -0.0006 N 0 0 0
- 3.5825 1.1233 -0.0019 C 0 0 0
- 2.3669 -0.9515 0.0046 C 0 0 0
- -0.0492 0.4510 0.0000 N 0 0 0
- 4.7720 0.4222 -0.0020 C 0 0 0
- 3.5605 -1.6463 0.0045 C 0 0 0
- -1.1623 1.1030 0.0006 N 0 0 0
- 4.7614 -0.9609 -0.0015 C 0 0 0
- -2.3542 0.4249 0.0012 C 0 0 0
- -3.5601 1.1272 0.0018 C 0 0 0
- -2.3666 -0.9709 -0.0046 C 0 0 0
- -4.7559 0.4388 0.0020 C 0 0 0
- -3.5689 -1.6470 -0.0044 C 0 0 0
- -4.7611 -0.9445 0.0015 C 0 0 0
- 1.1751 2.1812 0.0000 H 0 0 0
- 3.5911 2.1607 0.0000 H 0 0 0
- 1.4663 -1.4664 0.0000 H 0 0 0
- 5.6747 0.9334 0.0000 H 0 0 0
- 3.5561 -2.6837 0.0000 H 0 0 0
- 5.6565 -1.4853 0.0000 H 0 0 0
- -3.5575 2.1646 0.0000 H 0 0 0
- -1.4735 -1.4987 0.0000 H 0 0 0
- -5.6530 0.9598 0.0000 H 0 0 0
- -3.5794 -2.6844 0.0000 H 0 0 0
- -5.6628 -1.4575 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 9 1 0
- 8 10 1 0
- 10 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 2 0
- 14 15 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-151-67-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 1.2651 0.5904 -0.0208 C 0 0 0
- 0.2031 -0.3469 -0.5989 C 0 0 0
- 1.0300 1.8946 -0.4693 F 0 0 0
- 1.2034 0.5596 1.3765 F 0 0 0
- 2.5330 0.1742 -0.4409 F 0 0 0
- 0.5060 -2.0276 -0.0208 Cl 0 0 0
- -1.5786 0.2380 -0.0085 Br 0 0 0
- 1.1775 -0.6858 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-145438-97-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.0463 0.8989 0.3102 C 0 0 0
- -1.3135 0.5578 -0.1442 C 0 0 0
- 0.0723 2.2643 0.1174 N 0 0 0
- 0.9254 0.0273 0.8641 C 0 0 0
- -1.8969 1.6805 -0.5791 N 0 0 0
- -1.8727 -0.7152 -0.1466 N 0 0 0
- -1.0816 2.6910 -0.4264 C 0 0 0
- 1.2368 3.0906 0.4449 C 0 0 0
- 1.7574 -0.6566 0.0538 N 0 0 0
- 1.0080 -0.1032 2.0710 O 0 0 0
- -1.2394 -1.6989 0.3970 N 0 0 0
- -3.1810 -0.9394 -0.7664 C 0 0 0
- 1.7424 -0.4394 -1.2176 N 0 0 0
- 2.6787 -1.6467 0.6170 C 0 0 0
- -1.7292 -2.8140 0.3949 O 0 0 0
- 2.5660 -0.9759 -1.9369 O 0 0 0
- -1.3370 3.6178 0.0000 H 0 0 0
- 1.7931 2.3066 0.0000 H 0 0 0
- 2.0208 3.6469 0.0000 H 0 0 0
- 0.6805 3.8746 0.0000 H 0 0 0
- -3.3434 0.0081 0.0000 H 0 0 0
- -4.1285 -1.1018 0.0000 H 0 0 0
- -3.0186 -1.8869 0.0000 H 0 0 0
- 1.9749 -2.3016 0.0000 H 0 0 0
- 3.3336 -2.3505 0.0000 H 0 0 0
- 3.3825 -0.9918 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 6 11 1 0
- 6 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 2 0
- 5 7 2 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.4164 0.0000 0.0000 C 0 0 0
- -0.8328 -0.7255 -0.5040 C 0 0 0
- 0.4164 0.0127 1.5299 C 0 0 0
- 1.6657 -0.7255 -0.5040 C 0 0 0
- 0.4164 1.4382 -0.5220 C 0 0 0
- -2.0821 0.0000 0.0000 C 0 0 0
- -1.5299 -1.5549 0.0000 H 0 0 0
- -0.1357 -1.5549 0.0000 H 0 0 0
- 1.4998 0.0127 0.0000 H 0 0 0
- 0.4164 1.0961 0.0000 H 0 0 0
- -0.6670 0.0127 0.0000 H 0 0 0
- 1.1216 -1.6624 0.0000 H 0 0 0
- 2.6026 -1.2696 0.0000 H 0 0 0
- 2.2098 0.2114 0.0000 H 0 0 0
- 1.4998 1.4382 0.0000 H 0 0 0
- 0.4164 2.5216 0.0000 H 0 0 0
- -0.6670 1.4382 0.0000 H 0 0 0
- -1.5380 0.9369 0.0000 H 0 0 0
- -3.0190 0.5441 0.0000 H 0 0 0
- -2.6262 -0.9369 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2453-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.1608 1.4987 0.1019 C 0 0 0
- -2.2556 0.5318 0.0302 C 0 0 0
- -1.4040 2.6882 0.1912 O 0 0 0
- 0.2408 1.0313 0.0721 C 0 0 0
- -3.5367 0.9586 0.0631 C 0 0 0
- 1.2873 1.9547 0.1406 C 0 0 0
- 0.5206 -0.3351 -0.0188 C 0 0 0
- -4.6380 -0.0140 -0.0090 C 0 0 0
- 2.5925 1.5181 0.1132 C 0 0 0
- 1.8262 -0.7692 -0.0460 C 0 0 0
- -5.9661 0.4239 0.0247 C 0 0 0
- -4.3626 -1.3816 -0.1175 C 0 0 0
- 2.8706 0.1543 0.0171 C 0 0 0
- -6.9927 -0.4942 -0.0433 C 0 0 0
- -5.4003 -2.2866 -0.1845 C 0 0 0
- 4.2768 -0.3145 -0.0128 C 0 0 0
- -6.7120 -1.8455 -0.1447 C 0 0 0
- 4.6447 -1.4676 0.6788 C 0 0 0
- 5.2352 0.3930 -0.7374 C 0 0 0
- 5.9553 -1.8992 0.6474 C 0 0 0
- 6.5423 -0.0481 -0.7615 C 0 0 0
- 6.9028 -1.1901 -0.0685 C 0 0 0
- -2.0490 -0.4824 0.0000 H 0 0 0
- -3.7433 1.9728 0.0000 H 0 0 0
- 1.0816 2.9690 0.0000 H 0 0 0
- -0.2535 -1.0221 0.0000 H 0 0 0
- 3.3675 2.2041 0.0000 H 0 0 0
- 2.0334 -1.7832 0.0000 H 0 0 0
- -6.1774 1.4371 0.0000 H 0 0 0
- -3.3826 -1.7145 0.0000 H 0 0 0
- -7.9758 -0.1704 0.0000 H 0 0 0
- -5.1983 -3.3017 0.0000 H 0 0 0
- -7.4863 -2.5323 0.0000 H 0 0 0
- 3.9095 -2.1960 0.0000 H 0 0 0
- 5.0752 1.4155 0.0000 H 0 0 0
- 6.1224 -2.9206 0.0000 H 0 0 0
- 7.2813 0.6765 0.0000 H 0 0 0
- 7.8881 -1.5071 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 18 16 2 0
- 19 16 1 0
- 20 18 1 0
- 21 19 2 0
- 22 20 2 0
- 10 13 1 0
- 15 17 1 0
- 21 22 1 0
- 2 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 1.2273 0.1025 -0.2298 C 0 0 0
- 0.0289 -0.5744 0.2326 O 0 0 0
- 1.7074 1.0803 0.8446 C 0 0 0
- 2.3221 -0.9302 -0.5054 C 0 0 0
- -1.1796 -0.0494 -0.0238 C 0 0 0
- -2.4235 -0.7520 0.4561 C 0 0 0
- -1.2702 0.9863 -0.6393 O 0 0 0
- 0.4926 0.7959 0.0000 H 0 0 0
- 2.6142 0.6350 0.0000 H 0 0 0
- 2.1527 1.9871 0.0000 H 0 0 0
- 0.8006 1.5256 0.0000 H 0 0 0
- 1.6289 -1.6651 0.0000 H 0 0 0
- 3.0570 -1.6234 0.0000 H 0 0 0
- 3.0153 -0.1953 0.0000 H 0 0 0
- -2.9203 0.1276 0.0000 H 0 0 0
- -3.3031 -1.2488 0.0000 H 0 0 0
- -1.9267 -1.6316 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 5 7 2 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39515-41-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 51 1 V2000
- 4.1618 -0.1712 0.0481 C 0 0 0
- 3.7032 -1.2790 0.9985 C 0 0 0
- 4.3321 -1.6389 -0.3491 C 0 0 0
- 2.9660 0.4064 -0.6643 C 0 0 0
- 4.5400 -1.5222 2.2561 C 0 0 0
- 2.1968 -1.4959 1.1560 C 0 0 0
- 3.4066 -2.1886 -1.4363 C 0 0 0
- 5.7497 -2.2143 -0.3364 C 0 0 0
- 1.9709 0.9670 0.0408 O 0 0 0
- 2.9030 0.3649 -1.8702 O 0 0 0
- 0.8187 1.5235 -0.6456 C 0 0 0
- -0.3966 1.4078 0.2380 C 0 0 0
- 1.0684 2.9412 -0.9532 C 0 0 0
- -1.6492 1.2670 -0.3266 C 0 0 0
- -0.2560 1.4368 1.6135 C 0 0 0
- 1.2612 4.0353 -1.1905 N 0 0 0
- -2.7679 1.1605 0.4877 C 0 0 0
- -1.3689 1.3308 2.4269 C 0 0 0
- -4.0015 1.0224 -0.0653 O 0 0 0
- -2.6248 1.1956 1.8672 C 0 0 0
- -4.2087 -0.3097 -0.2356 C 0 0 0
- -5.3645 -0.7594 -0.8583 C 0 0 0
- -3.2624 -1.2224 0.2076 C 0 0 0
- -5.5724 -2.1139 -1.0306 C 0 0 0
- -3.4753 -2.5762 0.0328 C 0 0 0
- -4.6301 -3.0218 -0.5832 C 0 0 0
- 4.9202 0.3681 0.0000 H 0 0 0
- 4.2803 -2.4158 0.0000 H 0 0 0
- 5.4336 -1.7819 0.0000 H 0 0 0
- 4.7997 -0.6286 0.0000 H 0 0 0
- 2.0642 -0.5748 0.0000 H 0 0 0
- 1.2757 -1.6285 0.0000 H 0 0 0
- 2.3294 -2.4170 0.0000 H 0 0 0
- 2.9314 -1.3885 0.0000 H 0 0 0
- 2.6065 -2.6638 0.0000 H 0 0 0
- 3.8818 -2.9887 0.0000 H 0 0 0
- 5.3997 -3.0765 0.0000 H 0 0 0
- 6.6119 -2.5643 0.0000 H 0 0 0
- 6.0997 -1.3521 0.0000 H 0 0 0
- 0.6544 0.6076 0.0000 H 0 0 0
- -1.5531 0.3414 0.0000 H 0 0 0
- 0.6642 1.5751 0.0000 H 0 0 0
- -1.4628 2.2566 0.0000 H 0 0 0
- -2.7858 2.1121 0.0000 H 0 0 0
- -6.0904 -0.1772 0.0000 H 0 0 0
- -2.3802 -0.9264 0.0000 H 0 0 0
- -6.4540 -2.4118 0.0000 H 0 0 0
- -2.7513 -3.1608 0.0000 H 0 0 0
- -4.8143 -3.9340 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 9 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 2 0
- 12 15 1 0
- 13 16 3 0
- 14 17 1 0
- 15 18 2 0
- 17 19 1 0
- 17 20 2 0
- 19 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 2 0
- 23 25 1 0
- 24 26 1 0
- 2 3 1 0
- 18 20 1 0
- 25 26 2 0
- 1 27 1 0
- 5 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 6 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 7 36 1 0
- 8 37 1 0
- 8 38 1 0
- 8 39 1 0
- 11 40 1 0
- 14 41 1 0
- 15 42 1 0
- 18 43 1 0
- 20 44 1 0
- 22 45 1 0
- 23 46 1 0
- 24 47 1 0
- 25 48 1 0
- 26 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13171-00-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 1.1966 0.2798 -0.0187 C 0 0 0
- 0.7305 -1.0176 -0.0172 C 0 0 0
- 0.2869 1.3450 -0.0077 C 0 0 0
- 2.7100 0.2822 -0.0268 C 0 0 0
- 1.8981 -1.9814 -0.0307 C 0 0 0
- -0.6348 -1.2630 -0.0041 C 0 0 0
- -1.0864 1.0872 0.0048 C 0 0 0
- 0.7765 2.7329 -0.0089 C 0 0 0
- 3.1179 -1.1411 0.4095 C 0 0 0
- 1.6590 -3.1192 0.9638 C 0 0 0
- 2.1066 -2.5430 -1.4386 C 0 0 0
- -1.5376 -0.2160 0.0074 C 0 0 0
- 0.7553 3.5383 -1.2825 C 0 0 0
- 1.1970 3.2283 1.0148 O 0 0 0
- -3.0177 -0.4993 0.0210 C 0 0 0
- -3.7897 0.8216 0.0319 C 0 0 0
- -3.3951 -1.3003 -1.2267 C 0 0 0
- -3.3708 -1.3068 1.2716 C 0 0 0
- 3.7323 0.4752 0.0000 H 0 0 0
- 2.6123 1.3180 0.0000 H 0 0 0
- -0.9824 -2.2436 0.0000 H 0 0 0
- -1.7658 1.8752 0.0000 H 0 0 0
- 3.6123 -2.0565 0.0000 H 0 0 0
- 4.0813 -0.7483 0.0000 H 0 0 0
- 0.6409 -2.9052 0.0000 H 0 0 0
- 1.4450 -4.1373 0.0000 H 0 0 0
- 2.6771 -3.3332 0.0000 H 0 0 0
- 1.1313 -2.9051 0.0000 H 0 0 0
- 2.4687 -3.5183 0.0000 H 0 0 0
- 3.0819 -2.1809 0.0000 H 0 0 0
- 1.7953 3.5657 0.0000 H 0 0 0
- 0.7279 4.5783 0.0000 H 0 0 0
- -0.2847 3.5109 0.0000 H 0 0 0
- -2.8915 1.3466 0.0000 H 0 0 0
- -4.3147 1.7198 0.0000 H 0 0 0
- -4.6879 0.2966 0.0000 H 0 0 0
- -4.3363 -0.8569 0.0000 H 0 0 0
- -3.8385 -2.2415 0.0000 H 0 0 0
- -2.4539 -1.7437 0.0000 H 0 0 0
- -4.3240 -0.8900 0.0000 H 0 0 0
- -3.7876 -2.2600 0.0000 H 0 0 0
- -2.4176 -1.7236 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 8 14 2 0
- 12 15 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 1 0
- 5 9 1 0
- 7 12 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116539-70-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- -1.2206 0.5373 0.1455 C 0 0 0
- -2.0360 -0.4401 0.7061 C 0 0 0
- 0.1841 0.7042 0.6649 C 0 0 0
- -1.6621 1.3617 -0.8847 C 0 0 0
- -3.3110 -0.6244 0.2661 C 0 0 0
- 1.1797 0.4705 -0.4731 C 0 0 0
- 0.3484 2.0281 1.1771 O 0 0 0
- -2.9214 1.2403 -1.3867 C 0 0 0
- -3.8206 0.2278 -0.8166 C 0 0 0
- -4.0369 -1.5055 0.7753 N 0 3 0
- 2.5454 0.6328 0.0318 N 0 0 0
- -4.9563 0.0923 -1.2372 O 0 0 0
- -4.6897 -2.2977 1.2331 N 0 5 0
- 3.2682 -0.5209 0.5728 C 0 0 0
- 3.1114 1.7915 -0.0001 N 0 0 0
- 4.0401 -1.2127 -0.5526 C 0 0 0
- 4.2468 1.9265 0.4197 O 0 0 0
- 4.7950 -2.4175 0.0124 C 0 0 0
- 5.5668 -3.1093 -1.1130 C 0 0 0
- -1.5732 -1.2684 0.0000 H 0 0 0
- 0.1309 -0.2432 0.0000 H 0 0 0
- -1.2143 2.1982 0.0000 H 0 0 0
- 0.6147 -0.2918 0.0000 H 0 0 0
- 1.6558 -0.3503 0.0000 H 0 0 0
- 0.4653 2.9697 0.0000 H 0 0 0
- -3.3514 2.0861 0.0000 H 0 0 0
- 2.3273 -0.6435 0.0000 H 0 0 0
- 2.9873 -1.4272 0.0000 H 0 0 0
- 4.9810 -1.0901 0.0000 H 0 0 0
- 4.3210 -0.3064 0.0000 H 0 0 0
- 3.8541 -2.5401 0.0000 H 0 0 0
- 4.5140 -3.3238 0.0000 H 0 0 0
- 4.9335 -3.8159 0.0000 H 0 0 0
- 6.2734 -3.7426 0.0000 H 0 0 0
- 6.2001 -2.4027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 2 0
- 10 13 2 0
- 11 14 1 0
- 11 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 1 0
- 18 19 1 0
- 8 9 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 14 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24191-98-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- 0.5716 0.3283 -0.0497 C 0 0 0
- -0.7285 -0.1616 -0.1874 C 0 0 0
- 0.8006 1.6985 0.0617 C 0 0 0
- 1.7066 -0.6252 -0.0294 C 0 0 0
- -1.7890 0.7192 -0.2369 C 0 0 0
- -0.9597 -1.6462 -0.2756 C 0 0 1
- -0.2778 2.5772 0.0334 C 0 0 0
- 1.9496 2.4197 0.2048 O 0 0 0
- 1.4560 -1.9652 0.2625 C 0 0 0
- 3.0034 -0.1996 -0.2962 C 0 0 0
- -1.5619 2.0829 -0.1157 C 0 0 0
- -3.1982 0.2397 -0.4490 C 0 0 1
- 0.0532 -2.4094 0.5746 C 0 0 0
- -2.3136 -1.9589 0.2019 N 0 0 0
- 0.1950 3.8512 0.1658 O 0 0 0
- 1.5999 3.7731 -0.1404 C 0 0 0
- 2.4988 -2.8688 0.2750 C 0 0 0
- 4.0398 -1.1122 -0.2771 C 0 0 0
- -3.2517 -1.2630 -0.6784 C 0 0 0
- -3.9924 0.5762 0.6903 O 0 0 0
- -2.5168 -3.3972 -0.0172 C 0 0 0
- 3.7872 -2.4425 0.0071 C 0 0 0
- -1.1751 -2.6598 0.0000 H 0 0 0
- 3.2117 0.8155 0.0000 H 0 0 0
- -2.3650 2.7379 0.0000 H 0 0 0
- -3.1605 1.2753 0.0000 H 0 0 0
- -0.7266 -3.0919 0.0000 H 0 0 0
- 0.5616 -3.3124 0.0000 H 0 0 0
- 2.6245 3.9280 0.0000 H 0 0 0
- 1.5509 4.8082 0.0000 H 0 0 0
- 2.2957 -3.8850 0.0000 H 0 0 0
- 5.0200 -0.7758 0.0000 H 0 0 0
- -4.2591 -1.0202 0.0000 H 0 0 0
- -3.6906 -2.2017 0.0000 H 0 0 0
- -4.9466 0.9805 0.0000 H 0 0 0
- -3.5429 -3.2522 0.0000 H 0 0 0
- -2.6618 -4.4233 0.0000 H 0 0 0
- -1.4907 -3.5422 0.0000 H 0 0 0
- 4.5667 -3.1254 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 1 0
- 12 20 1 0
- 14 21 1 0
- 17 22 2 0
- 7 11 1 0
- 9 13 1 0
- 14 19 1 0
- 15 16 1 0
- 18 22 1 0
- 6 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6441-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -0.2675 0.1764 -1.0147 N 0 0 0
- -1.2714 0.5461 -0.2939 N 0 0 0
- 0.8461 0.9506 -1.0756 C 0 0 0
- -2.4288 -0.1804 -0.3104 C 0 0 0
- 2.1460 0.4242 -0.6622 C 0 0 0
- 0.7766 2.2692 -1.5412 C 0 0 0
- -3.5423 0.2562 0.4125 C 0 0 0
- -2.5066 -1.3608 -1.0552 C 0 0 0
- 3.2822 1.2640 -0.7411 C 0 0 0
- 2.2864 -0.8911 -0.1917 C 0 0 0
- -0.4432 2.7960 -1.9461 N 0 0 0
- 1.9276 3.0572 -1.5999 C 0 0 0
- -3.4587 1.7466 1.3486 S 0 0 0
- -4.7070 -0.4824 0.3910 C 0 0 0
- -3.6777 -2.0885 -1.0671 C 0 0 0
- 4.5352 0.7655 -0.3456 C 0 0 0
- 3.1401 2.5818 -1.2138 C 0 0 0
- 1.2048 -1.7091 -0.1107 O 0 0 0
- 3.5318 -1.3455 0.1871 C 0 0 0
- -4.5116 1.6649 2.2994 O 0 0 0
- -2.0841 1.9319 1.6575 O 0 0 0
- -3.8310 2.8908 0.4166 O 0 0 0
- -4.7746 -1.6528 -0.3439 C 0 0 0
- 4.6449 -0.5142 0.1077 C 0 0 0
- -6.0282 -2.4400 -0.3614 N 0 3 0
- 6.2216 -1.1271 0.6005 S 0 0 0
- -6.0911 -3.4708 -1.0073 O 0 0 0
- -6.9967 -2.0570 0.2700 O 0 5 0
- 6.1932 -2.5229 0.3357 O 0 0 0
- 7.1729 -0.2100 0.0778 O 0 0 0
- 6.3083 -0.9950 2.1143 O 0 0 0
- -1.6540 -1.8723 0.0000 H 0 0 0
- -0.5582 3.7836 0.0000 H 0 0 0
- -1.2410 2.2026 0.0000 H 0 0 0
- 1.8152 4.0451 0.0000 H 0 0 0
- -5.5640 0.0217 0.0000 H 0 0 0
- -3.5894 -3.0789 0.0000 H 0 0 0
- 5.3334 1.3583 0.0000 H 0 0 0
- 3.9303 3.1853 0.0000 H 0 0 0
- 0.4118 -2.3089 0.0000 H 0 0 0
- 3.6763 -2.3292 0.0000 H 0 0 0
- -4.1386 3.8363 0.0000 H 0 0 0
- 6.8539 -0.1638 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 7 1 0
- 15 8 2 0
- 16 9 1 0
- 17 9 2 0
- 18 10 1 0
- 19 10 2 0
- 20 13 2 0
- 21 13 2 0
- 22 13 1 0
- 23 14 2 0
- 24 16 2 0
- 25 23 1 0
- 26 24 1 0
- 27 25 2 0
- 28 25 1 0
- 29 26 2 0
- 30 26 2 0
- 31 26 1 0
- 12 17 1 0
- 15 23 1 0
- 19 24 1 0
- 8 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 22 42 1 0
- 31 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-290-37-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 0.6919 -1.1443 0.0000 C 0 0 0
- -0.6919 -1.1443 0.0000 C 0 0 0
- 1.3525 -0.0001 0.0000 N 0 0 0
- -1.3525 -0.0001 0.0000 N 0 0 0
- 0.6917 1.1444 0.0000 C 0 0 0
- -0.6917 1.1444 0.0000 C 0 0 0
- 1.1875 -2.0027 0.0000 H 0 0 0
- -1.1875 -2.0027 0.0000 H 0 0 0
- 1.1873 2.0028 0.0000 H 0 0 0
- -1.1873 2.0028 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 6 2 0
- 1 7 1 0
- 2 8 1 0
- 5 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-46-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.8361 0.3545 -0.0037 C 0 0 0
- -0.3294 -0.3893 -0.0031 C 0 0 0
- 0.7746 1.7352 -0.0021 C 0 0 0
- 2.1734 -0.3403 0.0003 C 0 0 0
- -1.5559 0.2478 -0.0010 C 0 0 0
- -0.4523 2.3726 0.0000 C 0 0 0
- 3.1953 0.6152 -0.0011 F 0 0 0
- 2.2815 -1.1371 1.1451 F 0 0 0
- 2.2848 -1.1439 -1.1394 F 0 0 0
- -1.6173 1.6290 0.0006 C 0 0 0
- -2.8036 -0.5485 0.0001 N 0 3 0
- -3.8844 0.0130 0.0020 O 0 0 0
- -2.7494 -1.7653 -0.0009 O 0 5 0
- -0.2833 -1.4248 0.0000 H 0 0 0
- 1.6484 2.2929 0.0000 H 0 0 0
- -0.4984 3.4081 0.0000 H 0 0 0
- -2.5371 2.1069 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2486-04-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.5546 -1.8927 0.2060 N 0 3 0
- 1.4997 -1.9250 0.9736 O 0 5 0
- 0.2706 -2.8774 -0.4521 O 0 0 0
- -0.2526 -0.6586 0.0774 C 0 0 0
- 0.3775 0.5758 -0.0645 C 0 0 0
- -1.6311 -0.7293 0.0924 C 0 0 0
- -0.3886 1.7337 -0.1850 C 0 0 0
- 1.8590 0.6575 -0.0869 C 0 0 0
- -2.3865 0.4229 -0.0276 C 0 0 0
- -1.7660 1.6520 -0.1631 C 0 0 0
- 2.5319 1.4152 0.8691 C 0 0 0
- 2.5825 -0.0281 -1.0609 C 0 0 0
- -3.8644 0.3409 -0.0109 N 0 3 0
- 3.9102 1.4876 0.8435 C 0 0 0
- 3.9601 0.0514 -1.0770 C 0 0 0
- -4.5318 1.3542 -0.1164 O 0 0 0
- -4.4130 -0.7400 0.1083 O 0 5 0
- 4.6229 0.8099 -0.1287 C 0 0 0
- -2.0987 -1.6507 0.0000 H 0 0 0
- 0.0734 2.6580 0.0000 H 0 0 0
- -2.3334 2.5156 0.0000 H 0 0 0
- 2.0838 2.3463 0.0000 H 0 0 0
- 2.2278 -0.9986 0.0000 H 0 0 0
- 4.2683 2.4569 0.0000 H 0 0 0
- 4.4143 -0.8767 0.0000 H 0 0 0
- 5.6551 0.8576 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 1 0
- 14 11 1 0
- 15 12 2 0
- 16 13 2 0
- 17 13 1 0
- 18 14 2 0
- 9 10 1 0
- 15 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52-28-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 54 1 V2000
- -3.2081 -0.6642 -1.0229 C 0 0 2
- -4.1557 -0.1060 0.0098 C 0 0 0
- -2.1684 -1.4881 -0.2996 C 0 0 2
- -2.7497 0.6205 -1.6997 C 0 0 1
- -4.0048 -1.5934 -1.9439 C 0 0 0
- -4.6082 1.1145 -0.4765 C 0 0 0
- -4.4582 -0.6500 1.2343 C 0 0 0
- -2.8895 -2.5048 0.5721 C 0 0 1
- -1.1641 -0.6599 0.4120 C 0 0 0
- -4.0056 1.3927 -1.6555 O 0 0 0
- -1.8254 1.4202 -0.7745 C 0 0 2
- -4.6574 -2.6523 -1.0413 C 0 0 0
- -5.5271 1.8218 0.3043 C 0 0 0
- -3.7806 -1.9151 1.6509 C 0 0 0
- -5.3715 0.0583 1.9950 C 0 0 0
- -3.6531 -3.4106 -0.2969 N 0 0 0
- -1.0150 0.6029 0.1634 C 0 0 0
- -2.5966 2.3692 -0.0351 O 0 0 0
- -5.8883 1.2552 1.5255 C 0 0 0
- -6.0449 3.0096 -0.1088 O 0 0 0
- -4.3857 -4.3264 0.5876 C 0 0 0
- -6.9376 3.4499 0.9164 C 0 0 0
- 11.3963 0.1868 0.0802 P 0 0 0
- 10.3851 0.7824 1.1823 O 0 0 0
- 12.5239 -0.7006 0.8104 O 0 0 0
- 10.5782 -0.7331 -0.9574 O 0 0 0
- 12.0415 1.3005 -0.6504 O 0 0 0
- -1.4942 -2.1150 0.0000 H 0 0 0
- -1.9899 0.1006 0.0000 H 0 0 0
- -4.3553 -0.7421 0.0000 H 0 0 0
- -4.9224 -1.5190 0.0000 H 0 0 0
- -2.1614 -3.0683 0.0000 H 0 0 0
- -0.3559 -1.1008 0.0000 H 0 0 0
- -1.1405 2.0354 0.0000 H 0 0 0
- -5.4256 -2.1449 0.0000 H 0 0 0
- -5.1888 -3.4041 0.0000 H 0 0 0
- -4.6931 -2.0371 0.0000 H 0 0 0
- -3.9867 -2.8124 0.0000 H 0 0 0
- -6.0992 -0.5057 0.0000 H 0 0 0
- -0.1446 0.9028 0.0000 H 0 0 0
- -3.1772 3.0837 0.0000 H 0 0 0
- -6.8060 1.3287 0.0000 H 0 0 0
- -5.1046 -3.7513 0.0000 H 0 0 0
- -4.9608 -5.0453 0.0000 H 0 0 0
- -3.6668 -4.9015 0.0000 H 0 0 0
- -6.5304 4.2756 0.0000 H 0 0 0
- -7.7633 3.8571 0.0000 H 0 0 0
- -7.3448 2.6242 0.0000 H 0 0 0
- 9.5918 1.2496 0.0000 H 0 0 0
- 13.2474 -1.2700 0.0000 H 0 0 0
- 9.9664 -1.4210 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 11 18 1 0
- 13 19 1 0
- 13 20 1 0
- 16 21 1 0
- 20 22 1 0
- 23 24 1 0
- 23 25 1 0
- 23 26 1 0
- 23 27 2 0
- 6 10 1 0
- 8 14 1 0
- 11 17 1 0
- 12 16 1 0
- 15 19 2 0
- 3 28 1 0
- 4 29 1 0
- 5 30 1 0
- 5 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 17 40 1 0
- 18 41 1 0
- 19 42 1 0
- 21 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 22 48 1 0
- 24 49 1 0
- 25 50 1 0
- 26 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-554-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.9673 -0.2012 0.0018 C 0 0 0
- -0.2279 -1.3372 0.0010 C 0 0 0
- 0.2951 1.0612 0.0003 S 0 0 0
- -2.4662 -0.0444 -0.0019 C 0 0 0
- 1.1509 -1.2395 -0.0005 C 0 0 0
- 1.7228 -0.0106 -0.0012 C 0 0 0
- -0.7104 -2.3073 0.0000 H 0 0 0
- -2.3535 1.0332 0.0000 H 0 0 0
- -3.5438 0.0683 0.0000 H 0 0 0
- -2.5789 -1.1220 0.0000 H 0 0 0
- 1.7654 -2.1319 0.0000 H 0 0 0
- 2.7738 0.2529 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 6 2 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88266-67-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-272283 1 V2000
- -12.6320 -0.1668 0.0277 C 0 0 1
- -11.1876 -0.3199 0.5086 C 0 0 2
- -12.8652 1.1900 -0.3552 O 0 0 0
- -12.8657 -1.0700 -1.1558 C 0 0 0
- -10.9426 -1.7151 0.8822 N 0 0 0
- -10.9597 0.5678 1.7048 C 0 0 0
- -14.0899 1.2068 -1.0914 C 0 0 1
- -13.6045 -2.1959 -1.1583 C 0 0 0
- -12.3793 -0.8902 -2.3928 N 0 0 0
- -10.4909 -2.5899 -0.0383 C 0 0 0
- -10.8025 1.8960 1.5381 N 0 0 0
- -10.9177 0.0871 2.8175 O 0 0 0
- -14.9619 2.3663 -0.6045 C 0 0 1
- -13.8074 1.3649 -2.4805 O 0 0 0
- -13.5516 -2.7015 -2.4293 N 0 0 0
- -12.7845 -1.8645 -3.1605 C 0 0 0
- -10.2427 -4.0036 0.3403 C 0 0 0
- -10.2869 -2.2214 -1.1777 O 0 0 0
- -10.2426 2.7089 2.6207 C 0 0 1
- -15.2594 2.1890 0.7820 O 0 0 0
- -14.1986 3.6813 -0.7991 C 0 0 2
- -12.9661 2.5079 -2.6224 C 0 0 2
- -11.1973 -4.9221 0.1901 N 0 0 0
- -9.0089 -4.3914 0.8518 C 0 0 0
- -9.5484 3.9374 2.0293 C 0 0 2
- -11.3678 3.1592 3.5546 C 0 0 0
- -16.5734 1.6320 0.8545 C 0 0 2
- -13.7462 3.7739 -2.2608 C 0 0 1
- -13.0538 3.6985 0.0559 O 0 0 0
- -12.4781 2.6054 -4.0692 C 0 0 0
- -10.9864 -6.1772 0.5229 C 0 0 0
- -8.8279 -5.7356 1.1926 C 0 0 0
- -7.8971 -3.3904 1.0334 C 0 0 0
- -8.1482 4.0710 2.6312 C 0 0 1
- -10.3108 5.1074 2.3325 O 0 0 0
- -16.7081 0.5069 -0.1742 C 0 0 2
- -17.5364 2.6494 0.5867 O 0 0 0
- -14.8917 3.8858 -3.1078 O 0 0 0
- -12.0545 1.3162 -4.5169 O 0 0 0
- -12.0960 -7.1794 0.3342 C 0 0 1
- -9.8337 -6.5853 1.0160 N 0 0 0
- -7.6186 -6.1743 1.7058 N 0 0 0
- -7.3905 5.1526 1.9052 C 0 0 0
- -8.2626 4.4351 4.1128 C 0 0 0
- -16.4402 1.0744 -1.5727 C 0 0 2
- -18.0317 -0.0292 -0.1231 O 0 0 0
- -17.1774 3.2696 -0.6466 C 0 0 1
- -11.6525 -8.2330 -0.5883 N 0 0 0
- -12.4557 -7.8021 1.6846 C 0 0 0
- -6.0912 5.3717 2.1888 N 0 0 0
- -7.9498 5.8259 1.0658 O 0 0 0
- -17.3615 2.2786 -1.7981 C 0 0 1
- -16.7211 0.0568 -2.5698 O 0 0 0
- -18.0659 4.4931 -0.8797 C 0 0 0
- -12.7632 -8.4743 -1.5189 C 0 0 0
- -12.8513 -6.7145 2.6499 C 0 0 0
- -5.3849 6.4944 1.5667 C 0 0 2
- -17.0217 2.9139 -3.0322 O 0 0 0
- -16.0426 0.0484 -3.7327 C 0 0 0
- -17.8157 5.4644 0.1381 O 0 0 0
- -12.3670 -9.5672 -2.5136 C 0 0 1
- -13.3054 -7.0355 3.8776 N 0 0 0
- -12.7610 -5.5504 2.3220 O 0 0 0
- -3.9562 6.1000 1.2943 C 0 0 0
- -5.4105 7.6987 2.5100 C 0 0 1
- -16.3033 -0.8961 -4.6581 N 0 0 0
- -15.1952 0.8923 -3.9478 O 0 0 0
- -13.5064 -9.8146 -3.4683 C 0 0 0
- -11.1815 -9.1371 -3.2671 N 0 0 0
- -3.4987 4.9000 1.7030 N 0 0 0
- -3.2180 6.8626 0.7073 O 0 0 0
- -4.5336 7.4096 3.7300 C 0 0 0
- -4.9110 8.8499 1.8265 O 0 0 0
- -14.4440 -10.7370 -3.1739 N 0 0 0
- -13.5797 -9.1838 -4.5015 O 0 0 0
- -2.0820 4.5628 1.5429 C 0 0 0
- -1.8289 3.1540 2.0832 C 0 0 0
- -0.3716 2.8072 1.9186 C 0 0 0
- 0.6181 3.0083 2.7527 N 0 0 0
- 0.4165 2.0339 0.5789 S 0 0 0
- 1.8573 2.6419 2.4578 C 0 0 0
- 2.0745 2.0392 1.2450 C 0 0 0
- 2.9677 2.8733 3.4050 C 0 0 0
- 4.2486 2.5763 3.2771 N 0 0 0
- 2.9316 3.6347 5.0198 S 0 0 0
- 5.0955 2.8703 4.2543 C 0 0 0
- 4.6224 3.4841 5.3862 C 0 0 0
- 6.5259 2.5448 4.1247 C 0 0 0
- 6.9819 1.9441 3.0077 N 0 0 0
- 7.2959 2.8180 5.0258 O 0 0 0
- 8.4048 1.6203 2.8788 C 0 0 0
- 8.6547 0.9493 1.5267 C 0 0 0
- 10.1408 0.6111 1.3921 C 0 0 0
- 10.3807 -0.0331 0.0938 N 0 0 0
- 11.8179 -0.3300 0.0291 C 0 0 0
- 9.6838 -1.3258 0.1289 C 0 0 0
- 12.4153 0.3120 -1.2246 C 0 0 0
- 13.9318 0.1093 -1.2282 C 0 0 0
- 14.2360 -1.2964 -1.5067 N 0 0 0
- 14.5349 0.9537 -2.2624 N 0 0 0
- 14.6959 -2.1293 -0.4808 C 0 0 0
- 14.0586 -1.8301 -2.8595 C 0 0 0
- 15.8661 1.3667 -2.1400 C 0 0 0
- 13.7441 1.3656 -3.4248 C 0 0 0
- 15.0887 -3.4303 -0.7661 C 0 0 0
- 14.7650 -1.6532 0.8214 C 0 0 0
- 16.3911 2.2915 -3.0330 C 0 0 0
- 16.6605 0.8562 -1.1223 C 0 0 0
- 15.5440 -4.2532 0.2503 C 0 0 0
- 15.2196 -2.4748 1.8361 C 0 0 0
- 17.7087 2.6995 -2.9101 C 0 0 0
- 17.9759 1.2636 -0.9998 C 0 0 0
- 15.6071 -3.7745 1.5557 C 0 0 0
- 15.9288 -5.5278 -0.0266 O 0 0 0
- 18.5040 2.1819 -1.8920 C 0 0 0
- 18.2252 3.6048 -3.7837 O 0 0 0
- 16.0540 -4.5822 2.5558 O 0 0 0
- 15.7498 -5.7172 -1.4316 C 0 0 0
- 19.7992 2.5815 -1.7702 O 0 0 0
- 17.1789 3.9406 -4.6973 C 0 0 0
- 16.0018 -3.8153 3.7604 C 0 0 0
- 16.1606 -7.1180 -1.8059 C 0 0 0
- 20.3432 1.8833 -0.6484 C 0 0 0
- 17.6889 4.9458 -5.6975 C 0 0 0
- 16.4865 -4.6567 4.9129 C 0 0 0
- 15.2428 -7.9770 -2.3816 C 0 0 0
- 17.4563 -7.5422 -1.5789 C 0 0 0
- 21.7836 2.2834 -0.4580 C 0 0 0
- 17.6837 4.6425 -7.0464 C 0 0 0
- 18.1566 6.1730 -5.2670 C 0 0 0
- 17.5866 -4.2548 5.6476 C 0 0 0
- 15.8278 -5.8272 5.2389 C 0 0 0
- 15.6195 -9.2617 -2.7249 C 0 0 0
- 17.8331 -8.8273 -1.9223 C 0 0 0
- 22.1866 2.8727 0.7255 C 0 0 0
- 22.7031 2.0558 -1.4651 C 0 0 0
- 18.1515 5.5643 -7.9638 C 0 0 0
- 18.6244 7.0952 -6.1846 C 0 0 0
- 18.0311 -5.0266 6.7045 C 0 0 0
- 16.2724 -6.5992 6.2962 C 0 0 0
- 16.9141 -9.6879 -2.4926 C 0 0 0
- 23.5080 3.2398 0.9000 C 0 0 0
- 24.0242 2.4227 -1.2905 C 0 0 0
- 18.6246 6.7898 -7.5326 C 0 0 0
- 17.3757 -6.2004 7.0271 C 0 0 0
- 24.4261 3.0174 -0.1089 C 0 0 0
- -13.5057 -0.1305 0.0000 H 0 0 0
- -10.3138 -0.3538 0.0000 H 0 0 0
- -11.7712 -1.9945 0.0000 H 0 0 0
- -14.4858 0.4271 0.0000 H 0 0 0
- -14.4543 -1.9895 0.0000 H 0 0 0
- -11.6208 2.2044 0.0000 H 0 0 0
- -15.5838 2.9811 0.0000 H 0 0 0
- -13.8257 -3.5319 0.0000 H 0 0 0
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- -9.5011 2.2453 0.0000 H 0 0 0
- -14.7091 4.3913 0.0000 H 0 0 0
- -12.4966 1.7702 0.0000 H 0 0 0
- -9.0723 3.2039 0.0000 H 0 0 0
- -11.0429 3.9711 0.0000 H 0 0 0
- -12.1797 3.4841 0.0000 H 0 0 0
- -11.6927 2.3473 0.0000 H 0 0 0
- -17.4036 1.3574 0.0000 H 0 0 0
- -13.2832 4.5157 0.0000 H 0 0 0
- -12.1794 3.7116 0.0000 H 0 0 0
- -11.6371 2.8449 0.0000 H 0 0 0
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- -7.3120 -4.0403 0.0000 H 0 0 0
- -7.2472 -2.8053 0.0000 H 0 0 0
- -8.4822 -2.7405 0.0000 H 0 0 0
- -7.7081 3.3154 0.0000 H 0 0 0
- -10.7882 5.8400 0.0000 H 0 0 0
- -16.1074 -0.1286 0.0000 H 0 0 0
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- -11.7815 0.4854 0.0000 H 0 0 0
- -12.7759 -6.6295 0.0000 H 0 0 0
- -7.4658 -7.0353 0.0000 H 0 0 0
- -6.9493 -5.6115 0.0000 H 0 0 0
- -7.4283 4.6972 0.0000 H 0 0 0
- -8.5247 5.2694 0.0000 H 0 0 0
- -9.0969 4.1730 0.0000 H 0 0 0
- -15.5818 1.2412 0.0000 H 0 0 0
- -18.8422 -0.3575 0.0000 H 0 0 0
- -16.3244 3.4623 0.0000 H 0 0 0
- -10.8765 -8.6362 0.0000 H 0 0 0
- -13.1864 -8.2825 0.0000 H 0 0 0
- -11.8198 -8.4023 0.0000 H 0 0 0
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- -18.2120 2.0752 0.0000 H 0 0 0
- -18.8406 4.8987 0.0000 H 0 0 0
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- -12.1246 -10.4074 0.0000 H 0 0 0
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- -13.2253 -7.9063 0.0000 H 0 0 0
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- -10.5122 -9.6999 0.0000 H 0 0 0
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- -4.0754 4.2426 0.0000 H 0 0 0
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- 18.9503 5.2085 0.0000 H 0 0 0
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- 66201 1 0
- 66202 1 0
- 69203 1 0
- 69204 1 0
- 70205 1 0
- 72206 1 0
- 72207 1 0
- 72208 1 0
- 73209 1 0
- 74210 1 0
- 74211 1 0
- 76212 1 0
- 76213 1 0
- 77214 1 0
- 77215 1 0
- 82216 1 0
- 87217 1 0
- 89218 1 0
- 91219 1 0
- 91220 1 0
- 92221 1 0
- 92222 1 0
- 93223 1 0
- 93224 1 0
- 95225 1 0
- 95226 1 0
- 96227 1 0
- 96228 1 0
- 96229 1 0
- 97230 1 0
- 97231 1 0
- 98232 1 0
-102233 1 0
-102234 1 0
-102235 1 0
-104236 1 0
-104237 1 0
-104238 1 0
-105239 1 0
-106240 1 0
-107241 1 0
-108242 1 0
-110243 1 0
-112244 1 0
-118245 1 0
-118246 1 0
-120247 1 0
-120248 1 0
-121249 1 0
-121250 1 0
-123251 1 0
-123252 1 0
-126253 1 0
-127254 1 0
-129255 1 0
-130256 1 0
-131257 1 0
-132258 1 0
-133259 1 0
-134260 1 0
-135261 1 0
-136262 1 0
-137263 1 0
-138264 1 0
-139265 1 0
-140266 1 0
-141267 1 0
-142268 1 0
-143269 1 0
-144270 1 0
-145271 1 0
-146272 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-475-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.7048 0.0405 0.0021 C 0 0 0
- -0.7048 0.0405 0.0008 C 0 0 0
- 1.3969 1.2523 0.0008 C 0 0 0
- 1.4270 -1.2434 -0.0014 C 0 0 0
- -1.3969 1.2523 -0.0007 C 0 0 0
- -1.4270 -1.2435 0.0017 C 0 0 0
- 0.6872 2.4567 -0.0017 C 0 0 0
- 2.7521 1.2615 0.0025 O 0 0 0
- 0.6702 -2.5084 -0.0062 C 0 0 0
- 2.6429 -1.2597 -0.0007 O 0 0 0
- -0.6872 2.4567 -0.0011 C 0 0 0
- -2.7521 1.2615 -0.0015 O 0 0 0
- -0.6701 -2.5085 0.0038 C 0 0 0
- -2.6428 -1.2598 0.0011 O 0 0 0
- 1.2065 3.3654 0.0000 H 0 0 0
- 3.7987 1.2686 0.0000 H 0 0 0
- 1.1865 -3.4188 0.0000 H 0 0 0
- -1.2065 3.3654 0.0000 H 0 0 0
- -3.7987 1.2686 0.0000 H 0 0 0
- -1.1863 -3.4190 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 11 1 0
- 9 13 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74340-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 47 1 V2000
- 0.5644 0.2411 -0.0561 C 0 0 0
- -0.8200 0.4133 -0.1021 C 0 0 0
- 1.2481 1.5172 0.0399 C 0 0 0
- 1.2131 -0.9909 -0.0912 C 0 0 0
- -1.0666 1.8682 -0.0332 C 0 0 0
- -1.5868 -0.7351 -0.1933 C 0 0 0
- 0.1774 2.5362 0.0520 C 0 0 0
- 2.6104 1.5087 0.0949 C 0 0 0
- 2.6775 -0.9657 -0.0310 C 0 0 0
- 0.4256 -2.1366 -0.1782 C 0 0 0
- -2.2415 2.6166 -0.0389 C 0 0 0
- -0.9626 -1.9932 -0.2334 C 0 0 0
- -3.0886 -0.6520 -0.2507 C 0 0 2
- 0.2056 3.9255 0.1277 C 0 0 0
- 3.3307 0.2895 0.0605 C 0 0 0
- 3.4286 -2.1399 -0.0603 C 0 0 0
- -2.1899 3.9925 0.0380 C 0 0 0
- -1.8137 -3.2009 -0.3279 C 0 0 0
- -3.7023 -1.8419 0.4844 C 0 0 1
- -3.5145 -0.6637 -1.6148 O 0 0 0
- -0.9710 4.6455 0.1205 C 0 0 0
- 4.7356 0.3137 0.1221 C 0 0 0
- 4.7920 -2.0777 0.0000 C 0 0 0
- -3.0939 -3.1299 0.0039 C 0 0 0
- -3.4756 -1.7028 1.8885 O 0 0 0
- 5.4406 -0.8515 0.0878 C 0 0 0
- 3.1311 2.4145 0.0000 H 0 0 0
- 0.8638 -3.0850 0.0000 H 0 0 0
- -3.1667 2.1313 0.0000 H 0 0 0
- -3.0741 0.3927 0.0000 H 0 0 0
- 1.1221 4.4270 0.0000 H 0 0 0
- 2.9479 -3.0675 0.0000 H 0 0 0
- -3.0761 4.5459 0.0000 H 0 0 0
- -1.3586 -4.1413 0.0000 H 0 0 0
- -4.7469 -1.8237 0.0000 H 0 0 0
- -4.5589 -0.6924 0.0000 H 0 0 0
- -0.9411 5.6898 0.0000 H 0 0 0
- 5.2408 1.2282 0.0000 H 0 0 0
- 5.3513 -2.9601 0.0000 H 0 0 0
- -3.6773 -3.9966 0.0000 H 0 0 0
- -2.5851 -1.1564 0.0000 H 0 0 0
- 6.4849 -0.8214 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 2 0
- 15 22 1 0
- 16 23 2 0
- 18 24 2 0
- 19 25 1 0
- 22 26 2 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 21 1 0
- 19 24 1 0
- 23 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 24 40 1 0
- 25 41 1 0
- 26 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-484-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 1.3658 -0.2769 -0.1304 C 0 0 0
- 0.1961 -1.0259 -0.2143 C 0 0 0
- 1.3009 1.1230 0.0431 C 0 0 0
- 2.7968 -0.6025 -0.1873 C 0 0 0
- -1.0314 -0.3363 -0.1198 C 0 0 0
- 0.2345 -2.3703 -0.3812 O 0 0 0
- 0.1355 1.7369 0.1274 N 0 0 0
- 2.5731 1.5715 0.0891 O 0 0 0
- 3.4480 0.5580 -0.0452 C 0 0 0
- -1.0204 1.0704 0.0540 C 0 0 0
- -2.2559 -1.0191 -0.1956 C 0 0 0
- 0.3864 -2.9437 0.9188 C 0 0 0
- -2.2473 1.7535 0.1477 C 0 0 0
- -3.4220 -0.3227 -0.1012 C 0 0 0
- -3.4153 1.0604 0.0707 C 0 0 0
- 3.2102 -1.5335 0.0000 H 0 0 0
- 4.4615 0.6601 0.0000 H 0 0 0
- -2.2710 -2.0377 0.0000 H 0 0 0
- -0.5983 -3.2046 0.0000 H 0 0 0
- 0.6473 -3.9284 0.0000 H 0 0 0
- 1.3711 -2.6828 0.0000 H 0 0 0
- -2.2613 2.7721 0.0000 H 0 0 0
- -4.3091 -0.8234 0.0000 H 0 0 0
- -4.2993 1.5666 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 10 1 0
- 8 9 1 0
- 14 15 1 0
- 4 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-509-93-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -1.5978 0.2052 1.8602 C 0 0 0
- -0.9963 0.4727 0.4791 C 0 0 0
- 0.4717 0.3034 0.5436 C 0 0 0
- -1.6701 -0.4379 -0.5486 C 0 0 0
- -1.4761 1.8230 -0.0227 C 0 0 0
- 0.9704 -0.9906 -0.1113 C 0 0 0
- 1.3033 1.3122 -0.0850 O 0 0 0
- -1.8123 -1.8695 -0.1178 C 0 0 0
- -2.9694 0.2680 -0.8382 C 0 0 0
- -0.8854 2.8827 -0.0073 O 0 0 0
- -2.8326 1.5403 -0.5345 C 0 0 0
- 2.4524 -0.7129 -0.2074 C 0 0 0
- 0.5577 -2.1952 0.6354 C 0 0 0
- 2.5513 0.7687 -0.1762 C 0 0 0
- -1.5077 -2.7907 -1.3007 C 0 0 0
- -0.9219 -2.2447 1.0607 C 0 0 0
- 3.4442 -1.5956 -0.2985 C 0 0 0
- 3.5877 1.4015 -0.2252 O 0 0 0
- -2.0075 1.1265 0.0000 H 0 0 0
- -2.5191 -0.2045 0.0000 H 0 0 0
- -1.1881 -0.7161 0.0000 H 0 0 0
- 0.0946 1.2386 0.0000 H 0 0 0
- -0.7293 -0.8007 0.0000 H 0 0 0
- -0.0378 -1.0096 0.0000 H 0 0 0
- -2.8145 -1.9804 0.0000 H 0 0 0
- -3.8624 -0.2003 0.0000 H 0 0 0
- -3.5798 2.2174 0.0000 H 0 0 0
- 0.4694 -3.1997 0.0000 H 0 0 0
- 1.5441 -2.4043 0.0000 H 0 0 0
- -2.4651 -3.1073 0.0000 H 0 0 0
- -1.1911 -3.7481 0.0000 H 0 0 0
- -0.5503 -2.4741 0.0000 H 0 0 0
- -1.6298 -2.9627 0.0000 H 0 0 0
- -0.5172 -3.1683 0.0000 H 0 0 0
- 3.2403 -2.5831 0.0000 H 0 0 0
- 4.4014 -1.2785 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 2 0
- 11 5 1 0
- 12 6 1 0
- 13 6 1 0
- 14 7 1 0
- 15 8 1 0
- 16 8 1 0
- 17 12 2 0
- 18 14 2 0
- 9 11 2 0
- 12 14 1 0
- 13 16 1 0
- 1 19 1 0
- 1 20 1 0
- 1 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-75-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.0892 0.2833 0.0358 C 0 0 0
- 0.5888 -0.9187 -0.1050 C 0 0 0
- 0.6182 1.4622 0.1721 C 0 0 0
- -1.5691 0.3035 0.0337 N 0 3 0
- 1.9762 -0.9336 -0.1084 C 0 0 0
- -0.1048 -2.0797 -0.2388 O 0 0 0
- 2.0005 1.4447 0.1684 C 0 0 0
- -2.1655 1.1646 -0.5879 O 0 0 0
- -2.1906 -0.5409 0.6537 O 0 5 0
- 2.6788 0.2477 0.0283 C 0 0 0
- 0.1157 2.3630 0.0000 H 0 0 0
- 2.4813 -1.8330 0.0000 H 0 0 0
- -0.6338 -2.9652 0.0000 H 0 0 0
- 2.5255 2.3326 0.0000 H 0 0 0
- 3.7102 0.2369 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-634-91-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.0009 -2.1717 0.0032 Cl 0 0 0
- 0.0003 -0.4357 0.0031 C 0 0 0
- 1.1996 0.2559 0.0004 C 0 0 0
- -1.1999 0.2553 0.0000 C 0 0 0
- 2.7022 -0.6135 -0.0029 Cl 0 0 0
- 1.2016 1.6384 -0.0002 C 0 0 0
- -2.7019 -0.6151 -0.0027 Cl 0 0 0
- -1.2028 1.6374 -0.0006 C 0 0 0
- -0.0007 2.3334 0.0020 C 0 0 0
- -0.0012 3.7307 0.0019 N 0 0 0
- 2.1042 2.1583 0.0000 H 0 0 0
- -2.1058 2.1567 0.0000 H 0 0 0
- 0.9007 4.2519 0.0000 H 0 0 0
- -0.9035 4.2512 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 6 2 0
- 10 9 1 0
- 8 9 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-30-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.3911 -0.9712 0.5825 C 0 0 0
- -1.2737 0.1036 0.3407 C 0 0 0
- 0.8348 -0.7477 1.2060 N 0 0 0
- -0.7559 -2.2454 0.2012 C 0 0 0
- -2.5150 -0.1476 -0.2942 C 0 0 0
- -0.9446 1.4151 0.7167 C 0 0 0
- 1.9205 -0.2771 0.4635 C 0 0 0
- -1.9801 -2.4799 -0.4168 C 0 0 0
- -2.8457 -1.4600 -0.6721 C 0 0 0
- -3.3939 0.9228 -0.5350 C 0 0 0
- -1.8201 2.4276 0.4673 C 0 0 0
- 3.1417 -0.0478 1.0847 C 0 0 0
- 1.7830 -0.0428 -0.8992 C 0 0 0
- -3.0417 2.1817 -0.1563 C 0 0 0
- 4.2131 0.4171 0.3475 C 0 0 0
- 2.8583 0.4220 -1.6301 C 0 0 0
- 4.0713 0.6542 -1.0074 C 0 0 0
- 1.1063 -1.6422 0.0000 H 0 0 0
- -0.1251 -2.9354 0.0000 H 0 0 0
- -0.0351 1.6315 0.0000 H 0 0 0
- -2.2909 -3.3616 0.0000 H 0 0 0
- -3.7563 -1.6717 0.0000 H 0 0 0
- -4.3087 0.7304 0.0000 H 0 0 0
- -1.5175 3.3121 0.0000 H 0 0 0
- 3.4157 -0.9416 0.0000 H 0 0 0
- 0.8945 0.2478 0.0000 H 0 0 0
- -3.6778 2.8668 0.0000 H 0 0 0
- 5.1030 0.1308 0.0000 H 0 0 0
- 2.5833 1.3155 0.0000 H 0 0 0
- 4.4536 1.5073 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 10 14 2 0
- 12 15 1 0
- 13 16 2 0
- 15 17 2 0
- 8 9 1 0
- 11 14 1 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-885-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 2.7423 -1.1587 0.1816 N 0 3 0
- 2.6358 -2.2341 -0.3802 O 0 5 0
- 3.7161 -0.9282 0.8760 O 0 0 0
- 1.6914 -0.1296 0.0156 C 0 0 0
- 0.3612 -0.4872 0.0784 C 0 0 0
- 2.0461 1.1959 -0.1975 C 0 0 0
- -0.6279 0.4825 -0.0776 C 0 0 0
- 3.3576 1.5461 -0.2542 O 0 0 0
- 1.0633 2.1638 -0.3532 C 0 0 0
- -0.2689 1.8112 -0.2966 C 0 0 0
- -2.0601 0.1009 -0.0110 C 0 0 0
- -2.9749 0.9286 0.6366 C 0 0 0
- -2.4963 -1.0841 -0.6010 C 0 0 0
- -4.3062 0.5685 0.6955 C 0 0 0
- -3.8295 -1.4342 -0.5360 C 0 0 0
- -4.7325 -0.6114 0.1132 C 0 0 0
- 0.0994 -1.4857 0.0000 H 0 0 0
- 4.3549 1.8124 0.0000 H 0 0 0
- 1.3282 3.1615 0.0000 H 0 0 0
- -0.9969 2.5430 0.0000 H 0 0 0
- -2.7339 1.9323 0.0000 H 0 0 0
- -1.8022 -1.8482 0.0000 H 0 0 0
- -5.0054 1.3279 0.0000 H 0 0 0
- -4.0760 -2.4366 0.0000 H 0 0 0
- -5.7345 -0.8593 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 6 2 0
- 10 7 2 0
- 11 7 1 0
- 12 11 2 0
- 13 11 1 0
- 14 12 1 0
- 15 13 2 0
- 16 14 2 0
- 9 10 1 0
- 15 16 1 0
- 5 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-35089-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -0.6138 -1.2978 -0.1900 N 0 0 0
- -1.7140 -0.5067 0.1014 C 0 0 0
- 0.5390 -0.7215 -0.8865 C 0 0 0
- -0.6028 -2.5402 0.1568 N 0 0 0
- -1.7948 0.7701 -0.4012 N 0 0 0
- -2.6697 -0.9724 0.8503 N 0 0 0
- 1.6219 -0.3601 0.1321 C 0 0 0
- 0.3640 -3.2355 -0.0993 O 0 0 0
- -2.8915 1.5809 -0.0808 N 0 3 0
- 2.8258 0.2418 -0.5953 C 0 0 0
- -3.9421 1.0738 0.2694 O 0 0 0
- -2.7944 2.7929 -0.1526 O 0 5 0
- 3.9087 0.6031 0.4234 C 0 0 0
- 5.1127 1.2050 -0.3040 C 0 0 0
- 6.1956 1.5664 0.7146 C 0 0 0
- 0.6807 0.1894 0.0000 H 0 0 0
- -0.2055 -0.1778 0.0000 H 0 0 0
- -0.9852 1.2110 0.0000 H 0 0 0
- -3.4984 -1.3762 0.0000 H 0 0 0
- 1.4802 -1.2710 0.0000 H 0 0 0
- 2.3664 -0.9038 0.0000 H 0 0 0
- 2.9676 1.1527 0.0000 H 0 0 0
- 2.0813 0.7855 0.0000 H 0 0 0
- 3.7669 -0.3078 0.0000 H 0 0 0
- 4.6532 0.0594 0.0000 H 0 0 0
- 5.2544 2.1159 0.0000 H 0 0 0
- 4.3682 1.7487 0.0000 H 0 0 0
- 6.4874 0.6919 0.0000 H 0 0 0
- 7.0701 1.8582 0.0000 H 0 0 0
- 5.9038 2.4409 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 3 16 1 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 10 22 1 0
- 10 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 1.7053 0.0429 -0.0014 C 0 0 0
- 0.5747 -0.4015 0.5823 N 0 0 0
- 1.7303 1.2581 -0.5838 N 0 0 0
- 2.7042 -0.6504 0.0017 O 0 0 0
- -0.5746 0.3997 0.5837 N 0 0 0
- -1.7057 -0.0435 0.0002 C 0 0 0
- -1.7313 -1.2575 -0.5846 N 0 0 0
- -2.7031 0.6518 0.0014 O 0 0 0
- 0.4682 -1.3068 0.0000 H 0 0 0
- 2.5290 1.6976 0.0000 H 0 0 0
- 0.9504 1.7300 0.0000 H 0 0 0
- -0.4676 1.3050 0.0000 H 0 0 0
- -2.5302 -1.6966 0.0000 H 0 0 0
- -0.9516 -1.7298 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1528-74-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7420 0.0001 -0.0013 C 0 0 0
- -0.7420 0.0002 -0.0014 C 0 0 0
- 1.4412 1.1333 -0.4107 C 0 0 0
- 1.4411 -1.1317 0.4138 C 0 0 0
- -1.4411 -1.1332 -0.4108 C 0 0 0
- -1.4412 1.1320 0.4134 C 0 0 0
- 2.8216 1.1277 -0.4087 C 0 0 0
- 2.8211 -1.1263 0.4119 C 0 0 0
- -2.8215 -1.1277 -0.4085 C 0 0 0
- -2.8212 1.1264 0.4117 C 0 0 0
- 3.5104 -0.0002 -0.0011 C 0 0 0
- -3.5104 0.0001 -0.0008 C 0 0 0
- 4.9906 -0.0003 -0.0010 N 0 3 0
- -4.9906 0.0002 -0.0009 N 0 3 0
- 5.5995 -0.9924 0.3574 O 0 0 0
- 5.5997 0.9917 -0.3594 O 0 5 0
- -5.5996 0.9922 0.3577 O 0 0 0
- -5.5997 -0.9917 -0.3597 O 0 5 0
- 0.9568 2.0056 0.0000 H 0 0 0
- 0.9568 -2.0041 0.0000 H 0 0 0
- -0.9566 -2.0054 0.0000 H 0 0 0
- -0.9570 2.0044 0.0000 H 0 0 0
- 3.3116 1.9969 0.0000 H 0 0 0
- 3.3106 -1.9958 0.0000 H 0 0 0
- -3.3114 -1.9969 0.0000 H 0 0 0
- -3.3108 1.9958 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 8 11 1 0
- 10 12 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-131-14-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -1.1574 0.8858 0.0747 C 0 0 0
- -1.3646 -0.5079 0.0738 C 0 0 0
- 0.2094 1.4204 0.2296 C 0 0 0
- -2.2416 1.7487 -0.0762 C 0 0 0
- -0.2094 -1.4208 0.2277 C 0 0 0
- -2.6482 -1.0140 -0.0722 C 0 0 0
- 1.3645 0.5079 0.0732 C 0 0 0
- 0.3846 2.5964 0.4823 O 0 0 0
- -3.5141 1.2359 -0.2260 C 0 0 0
- 1.1573 -0.8862 0.0726 C 0 0 0
- -0.3846 -2.5970 0.4793 O 0 0 0
- -3.7241 -0.1393 -0.2177 C 0 0 0
- 2.6476 1.0142 -0.0729 C 0 0 0
- 2.2418 -1.7486 -0.0752 C 0 0 0
- -5.0110 -0.6437 -0.3644 N 0 0 0
- 3.7239 0.1396 -0.2193 C 0 0 0
- 3.5151 -1.2354 -0.2206 C 0 0 0
- 5.0107 0.6443 -0.3665 N 0 0 0
- -2.0918 2.7775 0.0000 H 0 0 0
- -2.8072 -2.0414 0.0000 H 0 0 0
- -4.3292 1.8812 0.0000 H 0 0 0
- 2.8063 2.0416 0.0000 H 0 0 0
- 2.0923 -2.7774 0.0000 H 0 0 0
- -5.8235 0.0048 0.0000 H 0 0 0
- -5.1664 -1.6716 0.0000 H 0 0 0
- 4.3305 -1.8803 0.0000 H 0 0 0
- 5.8233 -0.0041 0.0000 H 0 0 0
- 5.1659 1.6723 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 7 10 1 0
- 9 12 1 0
- 16 17 2 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 2.7726 -0.0652 -0.0006 C 0 0 0
- 1.3078 0.2891 -0.0011 C 0 0 0
- 3.5360 1.1071 -0.0013 F 0 0 0
- 3.0706 -0.8151 1.1423 F 0 0 0
- 3.0709 -0.8167 -1.1423 F 0 0 0
- 0.3548 -0.7120 -0.0005 C 0 0 0
- 0.9177 1.6156 0.0037 C 0 0 0
- -0.9889 -0.3876 -0.0005 C 0 0 0
- -0.4253 1.9412 0.0037 C 0 0 0
- -2.0092 -1.4598 0.0006 N 0 3 0
- -1.3798 0.9393 -0.0011 C 0 0 0
- -3.1931 -1.1738 0.0006 O 0 0 0
- -1.6649 -2.6281 0.0014 O 0 5 0
- -3.0671 1.3475 -0.0017 Cl 0 0 0
- 0.6479 -1.7066 0.0000 H 0 0 0
- 1.6330 2.3662 0.0000 H 0 0 0
- -0.7177 2.9360 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 1 0
- 8 11 2 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 9 11 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80214-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-134136 1 V2000
- 0.7318 1.9398 1.2282 C 0 0 2
- 0.8720 0.9762 2.4579 C 0 0 1
- 2.0499 2.6216 1.1774 O 0 0 0
- -0.2702 2.9380 1.6853 C 0 0 2
- 0.8860 -0.5262 1.8065 C 0 0 1
- 2.4017 1.1457 2.8653 C 0 0 0
- 2.5204 2.5114 -0.1675 C 0 0 1
- -1.4733 2.8250 0.6805 C 0 0 0
- 0.3497 4.3058 1.3657 C 0 0 0
- 2.1502 -1.0802 2.1326 O 0 0 0
- -0.1708 -1.3037 2.6976 C 0 0 2
- 3.9056 3.1487 -0.2788 C 0 0 0
- 2.6090 1.1376 -0.5315 O 0 0 0
- -2.7085 2.8278 1.2202 O 0 0 0
- -1.1990 2.6710 -0.4121 O 0 0 0
- 2.6676 -1.6623 0.9344 C 0 0 1
- -1.5703 -0.8522 2.3908 C 0 0 0
- 0.1963 -1.1300 4.1603 C 0 0 0
- 0.0027 -2.7048 2.3987 O 0 0 0
- 4.3584 3.1238 -1.7399 C 0 0 2
- 2.8938 1.0455 -1.9085 C 0 0 2
- -3.7759 2.6527 0.2192 C 0 0 1
- 4.0785 -2.1950 1.1940 C 0 0 1
- 1.8172 -2.7293 0.5186 O 0 0 0
- -2.5708 -2.0048 2.5470 C 0 0 2
- 4.1544 1.7440 -2.3468 C 0 0 2
- 5.7578 3.4523 -1.7885 O 0 0 0
- 3.5905 4.1840 -2.5350 C 0 0 0
- 1.6899 1.3983 -2.7679 C 0 0 0
- -4.7685 1.6382 0.9192 C 0 0 1
- -4.5635 3.9674 0.2737 C 0 0 0
- 4.6371 -2.7839 -0.1063 C 0 0 2
- 4.9186 -1.1251 1.6318 O 0 0 0
- 2.2616 -3.1595 -0.7666 C 0 0 1
- -3.5480 -1.8236 1.4484 C 0 0 0
- -3.2194 -1.8722 3.9026 C 0 0 0
- 5.3001 0.9253 -2.1040 O 0 0 0
- 5.8953 4.7586 -1.2258 C 0 0 0
- -4.4926 0.2293 0.3903 C 0 0 1
- -4.5209 1.6811 2.4658 C 0 0 0
- -6.1001 1.9446 0.6834 O 0 0 0
- -3.6886 5.1081 -0.2499 C 0 0 0
- 3.6393 -3.8147 -0.6462 C 0 0 0
- 5.9218 -3.4421 0.1664 N 0 0 0
- 1.2649 -4.1693 -1.3392 C 0 0 0
- -4.6423 -0.7485 1.5906 C 0 0 1
- -3.5162 -2.6277 0.4413 N 0 0 0
- -5.5273 -0.1671 -0.5560 O 0 0 0
- 5.6326 -4.5862 1.0412 C 0 0 0
- 6.3921 -3.9954 -1.1106 C 0 0 0
- -6.0108 -1.5041 1.3833 C 0 0 0
- -3.8609 -2.1594 -0.8498 O 0 0 0
- -3.8408 -3.2932 -1.7194 C 0 0 0
- -4.1824 -2.8829 -3.0449 O 0 0 0
- -2.9598 -2.5343 -3.6974 C 0 0 0
- -3.2563 -2.0835 -5.1291 C 0 0 0
- -4.1220 -0.9469 -5.1009 O 0 0 0
- -4.3604 -0.5756 -6.4601 C 0 0 0
- -0.1640 1.4894 0.0000 H 0 0 0
- -0.1277 0.8992 0.0000 H 0 0 0
- -0.6092 1.9944 0.0000 H 0 0 0
- -0.0109 -0.0778 0.0000 H 0 0 0
- 2.5121 0.1491 0.0000 H 0 0 0
- 3.3983 1.2561 0.0000 H 0 0 0
- 2.2913 2.1423 0.0000 H 0 0 0
- 2.4197 3.5090 0.0000 H 0 0 0
- 1.2630 3.8919 0.0000 H 0 0 0
- 0.7636 5.2191 0.0000 H 0 0 0
- -0.5636 4.7197 0.0000 H 0 0 0
- 4.3112 4.0657 0.0000 H 0 0 0
- 3.1914 3.8525 0.0000 H 0 0 0
- 3.2359 -0.8362 0.0000 H 0 0 0
- -1.1375 0.0523 0.0000 H 0 0 0
- -2.4087 -0.3022 0.0000 H 0 0 0
- 0.6252 -2.0363 0.0000 H 0 0 0
- 1.1026 -0.7011 0.0000 H 0 0 0
- -0.2326 -0.2237 0.0000 H 0 0 0
- 0.1259 -3.6999 0.0000 H 0 0 0
- 3.0043 0.0489 0.0000 H 0 0 0
- -3.3134 1.7631 0.0000 H 0 0 0
- 3.5236 -3.0302 0.0000 H 0 0 0
- -2.2399 -2.9513 0.0000 H 0 0 0
- 3.3301 2.3149 0.0000 H 0 0 0
- 4.4026 4.7722 0.0000 H 0 0 0
- 3.0023 4.9961 0.0000 H 0 0 0
- 2.7784 3.5958 0.0000 H 0 0 0
- 1.9719 2.3605 0.0000 H 0 0 0
- 0.7277 1.6803 0.0000 H 0 0 0
- 1.4079 0.4361 0.0000 H 0 0 0
- -5.2764 4.6725 0.0000 H 0 0 0
- -5.3523 3.3484 0.0000 H 0 0 0
- 5.2380 -1.9812 0.0000 H 0 0 0
- 5.5378 -0.3365 0.0000 H 0 0 0
- 2.8332 -2.3357 0.0000 H 0 0 0
- -3.0186 -0.8898 0.0000 H 0 0 0
- -4.2018 -1.6714 0.0000 H 0 0 0
- -3.4202 -2.8546 0.0000 H 0 0 0
- 6.1159 0.3423 0.0000 H 0 0 0
- 6.8925 4.6536 0.0000 H 0 0 0
- 6.0003 5.7558 0.0000 H 0 0 0
- 4.8981 4.8636 0.0000 H 0 0 0
- -3.4901 0.2501 0.0000 H 0 0 0
- -4.3497 0.6931 0.0000 H 0 0 0
- -3.5329 1.8523 0.0000 H 0 0 0
- -4.6921 2.6691 0.0000 H 0 0 0
- -7.0773 2.1694 0.0000 H 0 0 0
- -2.8930 4.4979 0.0000 H 0 0 0
- -3.0784 5.9037 0.0000 H 0 0 0
- -4.4842 5.7183 0.0000 H 0 0 0
- 3.1132 -4.6683 0.0000 H 0 0 0
- 4.4310 -4.4300 0.0000 H 0 0 0
- 0.5513 -3.4649 0.0000 H 0 0 0
- 0.5605 -4.8829 0.0000 H 0 0 0
- 1.9785 -4.8737 0.0000 H 0 0 0
- -5.4647 -0.1748 0.0000 H 0 0 0
- -6.4636 -0.5258 0.0000 H 0 0 0
- 4.6605 -4.3405 0.0000 H 0 0 0
- 5.3869 -5.5583 0.0000 H 0 0 0
- 6.6047 -4.8319 0.0000 H 0 0 0
- 5.6281 -4.6448 0.0000 H 0 0 0
- 7.0415 -4.7594 0.0000 H 0 0 0
- 7.1561 -3.3460 0.0000 H 0 0 0
- -6.4955 -0.6263 0.0000 H 0 0 0
- -6.8886 -1.9888 0.0000 H 0 0 0
- -5.5261 -2.3819 0.0000 H 0 0 0
- -4.3890 -4.1328 0.0000 H 0 0 0
- -2.8773 -3.5706 0.0000 H 0 0 0
- -2.5887 -3.4658 0.0000 H 0 0 0
- -2.0706 -2.0709 0.0000 H 0 0 0
- -2.2569 -2.0021 0.0000 H 0 0 0
- -2.8481 -1.1677 0.0000 H 0 0 0
- -3.5167 -0.0339 0.0000 H 0 0 0
- -4.9021 0.2681 0.0000 H 0 0 0
- -5.2041 -1.1173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 16 10 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 16 23 1 0
- 16 24 1 0
- 17 25 1 0
- 20 26 1 0
- 20 27 1 0
- 20 28 1 0
- 21 29 1 0
- 22 30 1 0
- 22 31 1 0
- 23 32 1 0
- 23 33 1 0
- 24 34 1 0
- 25 35 1 0
- 25 36 1 0
- 26 37 1 0
- 27 38 1 0
- 30 39 1 0
- 30 40 1 0
- 30 41 1 0
- 31 42 1 0
- 32 43 1 0
- 32 44 1 0
- 34 45 1 0
- 35 46 1 0
- 35 47 2 0
- 39 48 1 0
- 44 49 1 0
- 44 50 1 0
- 46 51 1 0
- 47 52 1 0
- 52 53 1 0
- 53 54 1 0
- 54 55 1 0
- 55 56 1 0
- 56 57 1 0
- 57 58 1 0
- 21 26 1 0
- 34 43 1 0
- 39 46 1 0
- 1 59 1 0
- 2 60 1 0
- 4 61 1 0
- 5 62 1 0
- 6 63 1 0
- 6 64 1 0
- 6 65 1 0
- 7 66 1 0
- 9 67 1 0
- 9 68 1 0
- 9 69 1 0
- 12 70 1 0
- 12 71 1 0
- 16 72 1 0
- 17 73 1 0
- 17 74 1 0
- 18 75 1 0
- 18 76 1 0
- 18 77 1 0
- 19 78 1 0
- 21 79 1 0
- 22 80 1 0
- 23 81 1 0
- 25 82 1 0
- 26 83 1 0
- 28 84 1 0
- 28 85 1 0
- 28 86 1 0
- 29 87 1 0
- 29 88 1 0
- 29 89 1 0
- 31 90 1 0
- 31 91 1 0
- 32 92 1 0
- 33 93 1 0
- 34 94 1 0
- 36 95 1 0
- 36 96 1 0
- 36 97 1 0
- 37 98 1 0
- 38 99 1 0
- 38100 1 0
- 38101 1 0
- 39102 1 0
- 40103 1 0
- 40104 1 0
- 40105 1 0
- 41106 1 0
- 42107 1 0
- 42108 1 0
- 42109 1 0
- 43110 1 0
- 43111 1 0
- 45112 1 0
- 45113 1 0
- 45114 1 0
- 46115 1 0
- 48116 1 0
- 49117 1 0
- 49118 1 0
- 49119 1 0
- 50120 1 0
- 50121 1 0
- 50122 1 0
- 51123 1 0
- 51124 1 0
- 51125 1 0
- 53126 1 0
- 53127 1 0
- 55128 1 0
- 55129 1 0
- 56130 1 0
- 56131 1 0
- 58132 1 0
- 58133 1 0
- 58134 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92433-40-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.0536 -0.3074 0.0669 C 0 0 0
- -2.5320 -0.2581 -0.0489 C 0 0 0
- -0.5665 0.9703 0.3310 C 0 0 0
- -0.1600 -1.3761 -0.0392 C 0 0 0
- -2.9690 1.0497 0.1427 C 0 0 0
- -3.4677 -1.2629 -0.3031 C 0 0 0
- -1.7507 1.9039 0.3943 C 0 0 0
- 0.7865 1.1822 0.4818 C 0 0 0
- 1.1934 -1.1614 0.1114 C 0 0 0
- -4.3136 1.3491 0.0814 C 0 0 0
- -4.8106 -0.9542 -0.3622 C 0 0 0
- 1.6733 0.1182 0.3707 C 0 0 0
- 2.3011 -2.4916 -0.0204 Cl 0 0 0
- -5.2352 0.3486 -0.1713 C 0 0 0
- 3.0470 0.3330 0.5233 N 0 0 0
- 3.6672 1.2771 -0.2119 C 0 0 0
- 5.1173 1.5986 0.0430 C 0 0 0
- 3.0583 1.8680 -1.0785 O 0 0 0
- -0.5226 -2.3437 0.0000 H 0 0 0
- -3.1648 -2.2508 0.0000 H 0 0 0
- -1.0352 2.6494 0.0000 H 0 0 0
- -2.4232 2.6884 0.0000 H 0 0 0
- 1.1508 2.1491 0.0000 H 0 0 0
- -4.6226 2.3351 0.0000 H 0 0 0
- -5.5080 -1.7167 0.0000 H 0 0 0
- -6.2448 0.5687 0.0000 H 0 0 0
- 3.6066 -0.5356 0.0000 H 0 0 0
- 5.3410 0.5898 0.0000 H 0 0 0
- 6.1261 1.8223 0.0000 H 0 0 0
- 4.8936 2.6074 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2481-94-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -2.7951 0.0387 -0.0339 C 0 0 0
- -4.1759 -0.1076 0.0698 N 0 0 0
- -2.2621 1.0804 -0.7873 C 0 0 0
- -1.9513 -0.8542 0.6211 C 0 0 0
- -4.9432 -0.6379 -1.0600 C 0 0 0
- -4.8615 0.2688 1.3086 C 0 0 0
- -0.8976 1.2286 -0.8918 C 0 0 0
- -0.5861 -0.7127 0.5215 C 0 0 0
- -4.7314 -2.1501 -1.1553 C 0 0 0
- -4.9596 1.7933 1.3941 C 0 0 0
- -0.0462 0.3303 -0.2394 C 0 0 0
- 1.3068 0.4739 -0.3406 N 0 0 0
- 2.0902 -0.3554 0.2616 N 0 0 0
- 3.4460 -0.2115 0.1602 C 0 0 0
- 4.2977 -1.1078 0.8111 C 0 0 0
- 3.9868 0.8294 -0.5997 C 0 0 0
- 5.6645 -0.9563 0.7043 C 0 0 0
- 5.3552 0.9683 -0.6974 C 0 0 0
- 6.1927 0.0800 -0.0452 C 0 0 0
- -2.7883 1.8445 0.0000 H 0 0 0
- -2.2740 -1.7241 0.0000 H 0 0 0
- -5.3464 0.1977 0.0000 H 0 0 0
- -5.8311 -0.9071 0.0000 H 0 0 0
- -5.7821 0.3840 0.0000 H 0 0 0
- -5.1474 -0.6138 0.0000 H 0 0 0
- -0.5777 2.0995 0.0000 H 0 0 0
- -0.0636 -1.4794 0.0000 H 0 0 0
- -5.6502 -2.2788 0.0000 H 0 0 0
- -4.6027 -3.0689 0.0000 H 0 0 0
- -3.8126 -2.0214 0.0000 H 0 0 0
- -4.0337 1.8529 0.0000 H 0 0 0
- -5.0192 2.7192 0.0000 H 0 0 0
- -5.8855 1.7337 0.0000 H 0 0 0
- 3.9793 -1.9793 0.0000 H 0 0 0
- 3.4657 1.5970 0.0000 H 0 0 0
- 6.1921 -1.7195 0.0000 H 0 0 0
- 5.6793 1.8376 0.0000 H 0 0 0
- 7.1111 0.2116 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 11 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 8 11 1 0
- 18 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 10 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-17-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- -0.1835 -0.4400 0.0000 N 0 0 0
- -1.2409 0.2806 0.0000 C 0 0 0
- 1.0921 0.1746 0.0000 O 0 0 0
- -1.1656 1.2886 0.0000 H 0 0 0
- -2.1515 -0.1582 0.0000 H 0 0 0
- 2.0027 0.6134 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-211-91-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.5798 -0.7421 0.0029 C 0 0 0
- -0.4645 0.1975 0.0025 C 0 0 0
- 1.8788 -0.2323 0.0012 C 0 0 0
- 0.7186 -2.1963 -0.0009 C 0 0 0
- -1.8634 -0.2331 0.0017 C 0 0 0
- -0.1628 1.5856 0.0023 C 0 0 0
- 2.2075 1.1275 0.0015 C 0 0 0
- 2.8204 -1.2732 -0.0007 C 0 0 0
- 2.0427 -2.5123 0.0001 C 0 0 0
- -2.8876 0.7395 -0.0019 C 0 0 0
- -2.2012 -1.5902 0.0050 C 0 0 0
- 1.1591 2.0524 0.0018 C 0 0 0
- -1.2574 2.5568 0.0012 C 0 0 0
- 3.5777 1.4572 -0.0006 C 0 0 0
- 4.1592 -0.9017 -0.0039 C 0 0 0
- -2.5435 2.1571 -0.0011 C 0 0 0
- -4.2263 0.3261 -0.0058 C 0 0 0
- -3.5154 -1.9615 0.0023 C 0 0 0
- 4.5026 0.4487 -0.0034 C 0 0 0
- -4.5243 -1.0059 -0.0042 C 0 0 0
- -0.0737 -2.8854 0.0000 H 0 0 0
- 2.4400 -3.4843 0.0000 H 0 0 0
- -1.4472 -2.3209 0.0000 H 0 0 0
- 1.3592 3.0832 0.0000 H 0 0 0
- -1.0362 3.5833 0.0000 H 0 0 0
- 3.8842 2.4615 0.0000 H 0 0 0
- 4.9097 -1.6361 0.0000 H 0 0 0
- -3.3091 2.8757 0.0000 H 0 0 0
- -4.9977 1.0385 0.0000 H 0 0 0
- -3.7665 -2.9811 0.0000 H 0 0 0
- 5.5209 0.7050 0.0000 H 0 0 0
- -5.5286 -1.3124 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 10 17 1 0
- 11 18 2 0
- 14 19 2 0
- 17 20 2 0
- 7 12 2 0
- 8 9 1 0
- 13 16 2 0
- 15 19 1 0
- 18 20 1 0
- 4 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-36-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4549 0.9046 -0.0024 C 0 0 0
- -0.0197 -0.4426 -0.0012 C 0 0 0
- 0.4426 1.8961 -0.0016 N 0 0 0
- -1.8342 1.1763 0.0013 C 0 0 0
- 1.3675 -0.7134 0.0004 C 0 0 0
- -0.9655 -1.4782 -0.0021 C 0 0 0
- 1.7328 1.6564 0.0003 C 0 0 0
- -2.7254 0.1476 0.0061 C 0 0 0
- 2.2376 0.3621 0.0007 C 0 0 0
- 1.8310 -1.9875 0.0021 O 0 0 0
- -2.2939 -1.1769 -0.0041 C 0 0 0
- -2.1723 2.1595 0.0000 H 0 0 0
- -0.6544 -2.4703 0.0000 H 0 0 0
- 2.3957 2.4574 0.0000 H 0 0 0
- -3.7445 0.3536 0.0000 H 0 0 0
- 3.2650 0.2024 0.0000 H 0 0 0
- 2.1865 -2.9646 0.0000 H 0 0 0
- -2.9946 -1.9451 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13132-28-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.9244 -0.0015 -0.0017 C 0 0 0
- -0.3665 -0.6878 -0.0013 C 0 0 0
- 0.6722 1.4385 -0.0001 C 0 0 0
- 2.0831 -0.5675 0.0016 C 0 0 0
- -1.3701 0.3832 0.0002 C 0 0 0
- -0.3331 -2.0021 -0.0020 C 0 0 0
- -0.7895 1.5719 0.0009 C 0 0 0
- 1.7294 2.2201 -0.0003 C 0 0 0
- 2.1207 -2.0383 0.0062 C 0 0 0
- 3.2664 0.3068 0.0000 C 0 0 0
- -2.7101 0.1817 0.0004 N 0 3 0
- 0.9715 -2.6954 -0.0030 C 0 0 0
- 3.0782 1.6172 -0.0022 C 0 0 0
- -3.4692 1.1342 0.0017 O 0 0 0
- -3.1554 -0.9519 -0.0008 O 0 5 0
- -1.1975 -2.5367 0.0000 H 0 0 0
- -1.2880 2.4575 0.0000 H 0 0 0
- 1.6197 3.2305 0.0000 H 0 0 0
- 3.0062 -2.5370 0.0000 H 0 0 0
- 4.2041 -0.0851 0.0000 H 0 0 0
- 0.9872 -3.7116 0.0000 H 0 0 0
- 3.8894 2.2295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 11 14 2 0
- 11 15 1 0
- 5 7 2 0
- 9 12 2 0
- 10 13 2 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1805-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.5307 0.6002 0.0019 C 0 0 0
- 0.2567 -0.7771 0.0005 C 0 0 0
- 1.9129 0.7179 0.0014 N 0 0 0
- -0.5110 1.5153 -0.0016 C 0 0 0
- -1.0699 -1.2155 0.0002 C 0 0 0
- 1.4525 -1.4230 -0.0008 N 0 0 0
- 2.4263 -0.5470 -0.0003 C 0 0 0
- 2.6788 1.9667 0.0024 C 0 0 0
- -1.8168 1.0713 -0.0064 C 0 0 0
- -2.0966 -0.2916 0.0013 C 0 0 0
- 3.7702 -0.8565 -0.0013 N 0 0 0
- -3.3883 -0.7166 0.0006 O 0 0 0
- -4.2082 0.4539 0.0021 C 0 0 0
- -0.3083 2.5332 0.0000 H 0 0 0
- -1.2830 -2.2313 0.0000 H 0 0 0
- 3.5636 1.4241 0.0000 H 0 0 0
- 3.2214 2.8515 0.0000 H 0 0 0
- 1.7940 2.5093 0.0000 H 0 0 0
- -2.5952 1.7578 0.0000 H 0 0 0
- 4.0742 -1.8489 0.0000 H 0 0 0
- 4.4776 -0.0970 0.0000 H 0 0 0
- -3.3581 1.0494 0.0000 H 0 0 0
- -4.8037 1.3040 0.0000 H 0 0 0
- -5.0583 -0.1416 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 12 13 1 0
- 6 7 2 0
- 9 10 1 0
- 4 14 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-31-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 0.0774 -0.2934 0.3590 N 0 0 0
- -0.8509 -1.2994 -0.1714 C 0 0 0
- -0.3132 0.9962 -0.2238 C 0 0 0
- 1.4043 -0.6165 -0.1820 C 0 0 0
- -2.2793 -0.9552 0.2523 C 0 0 0
- -1.7415 1.3405 0.1999 C 0 0 0
- 2.4264 0.3986 0.3336 C 0 0 0
- -2.6698 0.3344 -0.3305 N 0 0 0
- 3.7533 0.0754 -0.2074 N 0 0 0
- -1.2564 -2.2426 0.0000 H 0 0 0
- 0.0103 -1.8583 0.0000 H 0 0 0
- 0.7064 1.1163 0.0000 H 0 0 0
- -0.2520 2.0210 0.0000 H 0 0 0
- 0.9836 -1.5530 0.0000 H 0 0 0
- 2.2484 -1.2008 0.0000 H 0 0 0
- -3.2989 -1.0752 0.0000 H 0 0 0
- -2.3405 -1.9800 0.0000 H 0 0 0
- -1.3359 2.2836 0.0000 H 0 0 0
- -2.6027 1.8994 0.0000 H 0 0 0
- 2.8471 1.3351 0.0000 H 0 0 0
- 1.5823 0.9830 0.0000 H 0 0 0
- -3.6704 0.5640 0.0000 H 0 0 0
- 4.0416 -0.9099 0.0000 H 0 0 0
- 4.4625 0.8178 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 6 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-486-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.7431 -0.7114 -0.0013 C 0 0 0
- -0.7431 -0.7112 -0.0005 C 0 0 0
- 1.1921 0.6199 -0.0011 C 0 0 0
- 1.6688 -1.7450 0.0029 C 0 0 0
- -1.1919 0.6197 0.0003 C 0 0 0
- -1.6690 -1.7451 -0.0011 C 0 0 0
- 0.0000 1.5005 0.0000 C 0 0 0
- 2.5551 0.8912 -0.0011 C 0 0 0
- 3.0258 -1.4610 0.0014 C 0 0 0
- -2.5553 0.8911 0.0009 C 0 0 0
- -3.0256 -1.4612 -0.0009 C 0 0 0
- -0.0001 2.7148 0.0009 O 0 0 0
- 3.4665 -0.1522 -0.0013 C 0 0 0
- -3.4664 -0.1519 0.0005 C 0 0 0
- 1.3443 -2.7339 0.0000 H 0 0 0
- -1.3445 -2.7340 0.0000 H 0 0 0
- 2.8906 1.8764 0.0000 H 0 0 0
- 3.7169 -2.2392 0.0000 H 0 0 0
- -2.8907 1.8763 0.0000 H 0 0 0
- -3.7167 -2.2394 0.0000 H 0 0 0
- 4.4872 0.0511 0.0000 H 0 0 0
- -4.4871 0.0514 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 10 14 2 0
- 5 7 1 0
- 9 13 2 0
- 11 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54150-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- -2.1974 -1.1605 -0.0012 C 0 0 0
- -3.1655 -0.2343 -0.3505 C 0 0 0
- -1.0058 -0.7335 0.5811 C 0 0 0
- -2.4116 -2.4854 -0.2211 O 0 0 0
- -2.9475 1.1163 -0.1203 C 0 0 0
- -0.7925 0.6172 0.8093 C 0 0 0
- -0.0236 -1.6691 0.9364 N 0 0 0
- -3.7063 -2.6016 -0.8145 C 0 0 0
- -1.7613 1.5396 0.4593 C 0 0 0
- -3.8982 2.0260 -0.4638 O 0 0 0
- -3.3875 3.3120 -0.1068 C 0 0 0
- 9.2819 0.2385 -0.2156 Cl 0 0 0
- -4.1181 -0.5540 0.0000 H 0 0 0
- 0.1592 0.9396 0.0000 H 0 0 0
- -0.2600 -2.6457 0.0000 H 0 0 0
- 0.9404 -1.3855 0.0000 H 0 0 0
- -3.7961 -1.6008 0.0000 H 0 0 0
- -4.7071 -2.6914 0.0000 H 0 0 0
- -3.6165 -3.6024 0.0000 H 0 0 0
- -1.5528 2.5226 0.0000 H 0 0 0
- -2.4536 2.9411 0.0000 H 0 0 0
- -3.0166 4.2459 0.0000 H 0 0 0
- -4.3214 3.6829 0.0000 H 0 0 0
- 10.2868 0.2385 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 1 0
- 6 9 1 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-37-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.4098 -0.2287 0.0027 C 0 0 0
- 0.2151 -1.4695 0.0004 C 0 0 0
- 0.3536 0.9309 0.0025 C 0 0 0
- -1.8042 -0.1480 -0.0007 N 0 0 0
- 1.5944 -1.5490 -0.0015 C 0 0 0
- -0.6119 -2.7293 0.0006 C 0 0 0
- 1.7367 0.8467 0.0000 C 0 0 0
- -2.4622 1.1610 0.0016 C 0 0 0
- 2.3556 -0.3959 -0.0017 C 0 0 0
- 2.4869 1.9798 -0.0006 O 0 0 0
- -3.9800 0.9687 -0.0030 C 0 0 0
- -0.1123 1.8621 0.0000 H 0 0 0
- -2.3761 -1.0182 0.0000 H 0 0 0
- 2.0612 -2.4797 0.0000 H 0 0 0
- -1.4823 -2.1579 0.0000 H 0 0 0
- -1.1833 -3.5997 0.0000 H 0 0 0
- 0.2585 -3.3007 0.0000 H 0 0 0
- -1.4850 1.5205 0.0000 H 0 0 0
- -2.7090 2.1726 0.0000 H 0 0 0
- 3.3949 -0.4590 0.0000 H 0 0 0
- 3.0617 2.8480 0.0000 H 0 0 0
- -4.1109 2.0017 0.0000 H 0 0 0
- -5.0130 0.8378 0.0000 H 0 0 0
- -3.8491 -0.0643 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 7 9 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2223-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 0.0000 -0.3883 0.0000 C 0 0 0
- -1.2492 0.4950 0.0000 C 0 0 0
- 1.2492 0.4950 0.0000 C 0 0 0
- 0.0000 -1.2717 1.2493 C 0 0 0
- 0.0000 -1.2717 -1.2492 C 0 0 0
- -2.4348 -0.3433 0.0000 O 0 0 0
- 2.4348 -0.3433 0.0000 O 0 0 0
- -3.6591 0.2207 0.0000 C 0 0 0
- 3.6591 0.2207 0.0000 C 0 0 0
- -4.8589 -0.6278 0.0000 C 0 0 0
- -3.7706 1.4309 0.0000 O 0 0 0
- 4.8589 -0.6278 0.0000 C 0 0 0
- 3.7706 1.4309 0.0000 O 0 0 0
- -6.0677 -0.0709 0.0000 C 0 0 0
- 6.0677 -0.0709 0.0000 C 0 0 0
- -0.5759 1.2492 0.0000 H 0 0 0
- -1.9224 1.2492 0.0000 H 0 0 0
- 1.9224 1.2492 0.0000 H 0 0 0
- 0.5759 1.2492 0.0000 H 0 0 0
- -1.0110 -1.2717 0.0000 H 0 0 0
- 0.0000 -2.2827 0.0000 H 0 0 0
- 1.0110 -1.2717 0.0000 H 0 0 0
- -1.0110 -1.2717 0.0000 H 0 0 0
- 0.0000 -2.2827 0.0000 H 0 0 0
- 1.0110 -1.2717 0.0000 H 0 0 0
- -4.7661 -1.6345 0.0000 H 0 0 0
- 4.7661 -1.6345 0.0000 H 0 0 0
- -6.1605 0.9358 0.0000 H 0 0 0
- -6.8932 -0.6546 0.0000 H 0 0 0
- 6.8932 -0.6546 0.0000 H 0 0 0
- 6.1605 0.9358 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 5 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2322-45-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.6738 0.1321 -0.6571 N 0 0 0
- -0.1035 -0.8546 -0.1686 C 0 0 0
- 2.0285 0.1917 -0.3117 C 0 0 0
- -1.5886 -0.8401 -0.4236 C 0 0 0
- 0.3924 -1.7542 0.4763 O 0 0 0
- 2.7991 1.2785 -0.7028 C 0 0 0
- 2.6037 -0.8334 0.4282 C 0 0 0
- -2.3678 0.7979 0.3347 Br 0 0 0
- -1.8476 -0.8776 -1.9311 C 0 0 0
- -2.2311 -2.0627 0.2348 C 0 0 0
- 4.1360 1.3345 -0.3598 C 0 0 0
- 3.9408 -0.7714 0.7679 C 0 0 0
- 4.7069 0.3099 0.3722 C 0 0 0
- 0.2179 1.0213 0.0000 H 0 0 0
- 2.3219 2.1564 0.0000 H 0 0 0
- 2.1189 -1.7071 0.0000 H 0 0 0
- -1.9908 0.1113 0.0000 H 0 0 0
- -2.8365 -1.0208 0.0000 H 0 0 0
- -1.7044 -1.8665 0.0000 H 0 0 0
- -3.1156 -1.5979 0.0000 H 0 0 0
- -2.6959 -2.9472 0.0000 H 0 0 0
- -1.3466 -2.5275 0.0000 H 0 0 0
- 4.6240 2.2064 0.0000 H 0 0 0
- 4.4202 -1.6481 0.0000 H 0 0 0
- 5.7046 0.2559 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 6 1 0
- 12 7 2 0
- 13 11 2 0
- 12 13 1 0
- 1 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70951-83-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.1205 0.1305 -0.1035 C 0 0 0
- -1.5767 -1.1527 -0.0589 C 0 0 0
- 0.2573 0.3906 -0.0800 C 0 0 0
- -2.0955 1.2762 -0.1651 C 0 0 2
- -3.0486 -1.4507 -0.1015 C 0 0 1
- -0.6754 -2.2143 0.0236 C 0 0 0
- 1.1625 -0.6911 -0.0015 C 0 0 0
- 0.7475 1.7165 -0.1333 C 0 0 0
- -3.2920 0.9733 0.7310 C 0 0 1
- -2.5409 1.4507 -1.5116 O 0 0 0
- -3.9701 -0.3200 0.3117 C 0 0 1
- -3.7488 -0.6546 -1.0597 O 0 0 0
- 0.6706 -1.9962 0.0526 C 0 0 0
- 2.6000 -0.4074 0.0192 C 0 0 0
- 2.0699 1.9780 -0.1135 C 0 0 0
- -2.8557 0.8643 2.0874 O 0 0 0
- 3.0263 0.9388 -0.0381 C 0 0 0
- 3.5469 -1.4306 0.0931 C 0 0 0
- 4.3994 1.2222 -0.0201 C 0 0 0
- 4.8772 -1.1218 0.1088 C 0 0 0
- 5.3006 0.2009 0.0516 C 0 0 0
- -1.4884 2.1274 0.0000 H 0 0 0
- -3.3823 -2.4416 0.0000 H 0 0 0
- -1.0370 -3.1954 0.0000 H 0 0 0
- 0.0692 2.5122 0.0000 H 0 0 0
- -3.9396 1.7942 0.0000 H 0 0 0
- -3.5144 1.8321 0.0000 H 0 0 0
- -5.0143 -0.3730 0.0000 H 0 0 0
- 1.3325 -2.8056 0.0000 H 0 0 0
- 2.3947 2.9719 0.0000 H 0 0 0
- -1.8413 0.6109 0.0000 H 0 0 0
- 3.2399 -2.4301 0.0000 H 0 0 0
- 4.7304 2.2140 0.0000 H 0 0 0
- 5.5857 -1.8907 0.0000 H 0 0 0
- 6.3239 0.4154 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 14 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 7 13 1 0
- 9 11 1 0
- 11 12 1 0
- 15 17 1 0
- 20 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107673-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.1459 0.0025 -0.0010 C 0 0 0
- -1.1465 0.9756 -0.0035 C 0 0 0
- 1.1803 0.4647 0.0016 C 0 0 0
- -0.8363 -1.2848 0.0037 C 0 0 0
- -2.4171 0.3800 -0.0072 C 0 0 0
- -0.9228 2.3565 -0.0025 C 0 0 0
- 1.4402 1.8615 0.0066 C 0 0 0
- 2.3027 -0.4748 -0.0022 C 0 0 0
- -2.1796 -1.0634 0.0032 C 0 0 0
- -3.5080 1.2410 -0.0110 C 0 0 0
- 0.4024 2.8035 0.0035 C 0 0 0
- -2.0582 3.1906 -0.0080 C 0 0 0
- 2.8259 2.3319 0.0148 C 0 0 0
- 3.6240 0.0243 0.0045 C 0 0 0
- 2.0869 -1.8565 -0.0133 C 0 0 0
- -3.2265 -2.1101 0.0072 N 0 3 0
- -3.3016 2.6186 -0.0108 C 0 0 0
- 3.8563 1.4645 0.0145 C 0 0 0
- 4.6971 -0.8763 0.0011 C 0 0 0
- 3.1540 -2.7087 -0.0171 C 0 0 0
- -2.9114 -3.2866 0.0119 O 0 0 0
- -4.4030 -1.7947 0.0059 O 0 5 0
- 4.4545 -2.2196 -0.0093 C 0 0 0
- -0.3728 -2.2260 0.0000 H 0 0 0
- -4.4835 0.8548 0.0000 H 0 0 0
- 0.6169 3.8305 0.0000 H 0 0 0
- -1.9522 4.2344 0.0000 H 0 0 0
- 3.0202 3.3629 0.0000 H 0 0 0
- 1.1091 -2.2369 0.0000 H 0 0 0
- -4.1405 3.2487 0.0000 H 0 0 0
- 4.8398 1.8298 0.0000 H 0 0 0
- 5.6838 -0.5195 0.0000 H 0 0 0
- 2.9899 -3.7450 0.0000 H 0 0 0
- 5.2604 -2.8914 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 13 18 2 0
- 14 19 1 0
- 15 20 2 0
- 16 21 2 0
- 16 22 1 0
- 19 23 2 0
- 5 9 1 0
- 7 11 2 0
- 12 17 1 0
- 14 18 1 0
- 20 23 1 0
- 4 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-766-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.7165 0.1071 -0.1743 C 0 0 0
- -0.5220 -0.3715 -0.0381 C 0 0 0
- 0.5919 1.6028 -0.3488 C 0 0 0
- 2.1891 -0.8119 -0.1484 Cl 0 0 0
- -1.4820 0.7307 -0.1121 C 0 0 0
- -0.9310 -2.0431 0.1905 Cl 0 0 0
- -0.8325 1.8957 -0.2950 O 0 0 0
- 1.2555 2.2651 0.7296 O 0 0 0
- -2.6885 0.6116 -0.0224 O 0 0 0
- 1.6158 1.2271 0.0000 H 0 0 0
- 2.0275 3.0356 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 2 0
- 5 7 1 0
- 3 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3771-19-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 47 1 V2000
- -2.4410 -1.0897 -0.6230 C 0 0 0
- -3.0311 0.2681 -0.3454 C 0 0 0
- -0.9578 -1.0564 -0.3587 C 0 0 0
- -3.0923 -2.1499 0.2628 C 0 0 0
- -4.2314 0.4350 0.3078 C 0 0 0
- -2.3208 1.3821 -0.7744 C 0 0 0
- -0.4851 -0.6333 0.8695 C 0 0 0
- -0.0721 -1.4546 -1.3433 C 0 0 0
- -4.6145 -2.0228 0.1296 C 0 0 0
- -5.0506 -0.7258 0.8082 C 0 0 0
- -4.7232 1.7156 0.5267 C 0 0 0
- -2.8097 2.6529 -0.5541 C 0 0 0
- 0.8744 -0.6023 1.1145 C 0 0 0
- 1.2878 -1.4254 -1.1034 C 0 0 0
- -4.0170 2.8204 0.0986 C 0 0 0
- 1.7650 -0.9961 0.1267 C 0 0 0
- 3.1026 -0.9662 0.3651 O 0 0 0
- 3.5466 0.3579 0.0620 C 0 0 0
- 5.0501 0.4153 0.1469 C 0 0 0
- 3.1009 0.7339 -1.3525 C 0 0 0
- 2.9412 1.3411 1.0658 C 0 0 0
- 5.6927 1.5676 -0.0999 O 0 0 0
- 5.6771 -0.5759 0.4372 O 0 0 0
- -3.4294 -1.0199 0.0000 H 0 0 0
- -3.3270 -3.1126 0.0000 H 0 0 0
- -2.1777 -2.5312 0.0000 H 0 0 0
- -1.3349 1.2830 0.0000 H 0 0 0
- -0.8494 0.2882 0.0000 H 0 0 0
- -0.2695 -2.4256 0.0000 H 0 0 0
- -5.5878 -2.2085 0.0000 H 0 0 0
- -4.5624 -3.0123 0.0000 H 0 0 0
- -5.7228 0.0022 0.0000 H 0 0 0
- -5.9030 -1.2310 0.0000 H 0 0 0
- -5.7090 1.8155 0.0000 H 0 0 0
- -2.1938 3.4291 0.0000 H 0 0 0
- 1.0681 0.3695 0.0000 H 0 0 0
- 1.6526 -2.3467 0.0000 H 0 0 0
- -4.4320 3.7202 0.0000 H 0 0 0
- 3.7398 1.4913 0.0000 H 0 0 0
- 2.3435 1.3728 0.0000 H 0 0 0
- 2.4620 -0.0235 0.0000 H 0 0 0
- 3.7850 1.8606 0.0000 H 0 0 0
- 2.4217 2.1849 0.0000 H 0 0 0
- 2.0974 0.8216 0.0000 H 0 0 0
- 6.1753 2.4330 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 18 21 1 0
- 19 22 1 0
- 19 23 2 0
- 9 10 1 0
- 12 15 1 0
- 14 16 1 0
- 1 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 12 35 1 0
- 13 36 1 0
- 14 37 1 0
- 15 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22755-15-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.5502 -0.3643 -0.1454 C 0 0 0
- -1.7379 0.1596 -0.0123 C 0 0 0
- 0.6322 0.5046 -0.2965 C 0 0 0
- -0.3711 -1.8273 -0.1408 C 0 0 0
- -1.9076 1.6248 -0.0118 C 0 0 0
- -2.9245 -0.7015 0.1397 C 0 0 0
- 1.9451 -0.1480 -0.4420 C 0 0 0
- 0.4863 1.8082 -0.2977 C 0 0 0
- -1.5516 -2.6937 0.0151 C 0 0 0
- 0.8369 -2.3220 -0.2764 C 0 0 0
- -0.8592 2.4017 -0.1460 C 0 0 0
- -3.2739 2.1540 0.1430 C 0 0 0
- -2.7540 -2.1641 0.1385 C 0 0 0
- -4.1046 -0.1428 0.2721 C 0 0 0
- 2.0169 -1.4620 -0.4325 C 0 0 0
- 3.0676 0.5974 -0.5848 N 0 0 0
- -4.2795 1.3152 0.2733 C 0 0 0
- 4.1026 0.4259 0.2613 C 0 0 0
- 5.3985 1.1579 0.0248 C 0 0 0
- 3.9911 -0.3176 1.2129 O 0 0 0
- 1.3690 2.4564 0.0000 H 0 0 0
- -1.4323 -3.7823 0.0000 H 0 0 0
- 0.9686 -3.4092 0.0000 H 0 0 0
- -0.9807 3.4900 0.0000 H 0 0 0
- -3.4514 3.2346 0.0000 H 0 0 0
- -3.6350 -2.8146 0.0000 H 0 0 0
- -4.9933 -0.7827 0.0000 H 0 0 0
- 3.0062 -1.9316 0.0000 H 0 0 0
- 2.8383 1.6682 0.0000 H 0 0 0
- -5.2973 1.7195 0.0000 H 0 0 0
- 5.9371 0.2044 0.0000 H 0 0 0
- 6.3520 1.6965 0.0000 H 0 0 0
- 4.8599 2.1114 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 1 0
- 18 19 1 0
- 18 20 2 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89459-25-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -1.1600 -0.6426 -0.0017 C 0 0 0
- -2.1682 -1.7051 0.0617 C 0 0 0
- 0.2528 -1.0365 -0.0225 C 0 0 0
- -1.5150 0.6317 -0.0444 N 0 0 0
- -3.5239 -1.3670 0.0836 C 0 0 0
- -1.7472 -3.0490 0.0998 C 0 0 0
- 0.5665 -2.3864 0.0185 C 0 0 0
- 1.3162 -0.0190 -0.0862 C 0 0 0
- -2.7949 0.9958 -0.0315 C 0 0 0
- -3.8580 -0.0102 0.0432 C 0 0 0
- -0.4240 -3.3578 0.0782 C 0 0 0
- 2.6099 -0.3966 -0.1046 N 0 0 0
- 1.0268 1.1617 -0.1221 O 0 0 0
- -3.1611 2.3570 -0.0778 C 0 0 0
- -5.2020 0.4139 0.0617 C 0 0 0
- 3.6674 0.6153 -0.1679 C 0 0 0
- -4.4751 2.7006 -0.0637 C 0 0 0
- -5.4847 1.7422 0.0211 C 0 0 0
- 5.0332 -0.0743 -0.1768 C 0 0 0
- 6.0936 0.9403 -0.2402 N 0 0 0
- 6.0380 1.6886 1.0227 C 0 0 0
- 7.3714 0.2156 -0.2456 C 0 0 0
- -4.2660 -2.1069 0.0000 H 0 0 0
- -2.4602 -3.8170 0.0000 H 0 0 0
- 1.5727 -2.6794 0.0000 H 0 0 0
- -0.1412 -4.3669 0.0000 H 0 0 0
- 2.8587 -1.4146 0.0000 H 0 0 0
- -2.4227 3.1006 0.0000 H 0 0 0
- -5.9777 -0.2907 0.0000 H 0 0 0
- 4.2425 1.4914 0.0000 H 0 0 0
- 2.8619 1.2857 0.0000 H 0 0 0
- -4.7362 3.7155 0.0000 H 0 0 0
- -6.4856 2.0527 0.0000 H 0 0 0
- 4.4581 -0.9504 0.0000 H 0 0 0
- 5.8386 -0.7447 0.0000 H 0 0 0
- 7.0831 1.7663 0.0000 H 0 0 0
- 5.9603 2.7337 0.0000 H 0 0 0
- 4.9929 1.6109 0.0000 H 0 0 0
- 6.8544 -0.6960 0.0000 H 0 0 0
- 8.2830 -0.3014 0.0000 H 0 0 0
- 7.8884 1.1272 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 2 0
- 17 18 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 22 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-710-25-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.2118 0.0889 -0.0034 C 0 0 0
- -0.9240 -0.6397 -0.0027 O 0 0 0
- -0.1427 1.4221 -0.0009 C 0 0 0
- 1.5319 -0.4235 -0.0008 C 0 0 0
- -1.9818 0.1831 0.0001 C 0 0 0
- -1.5453 1.4622 0.0013 C 0 0 0
- 2.5891 0.4261 -0.0019 C 0 0 0
- -3.4002 -0.2408 0.0008 N 0 3 0
- 3.9087 -0.0861 0.0007 C 0 0 0
- -4.2858 0.5955 0.0035 O 0 0 0
- -3.6817 -1.4258 -0.0012 O 0 5 0
- 4.9592 0.7582 -0.0003 N 0 0 0
- 4.0947 -1.2895 0.0038 O 0 0 0
- 0.4866 2.2168 0.0000 H 0 0 0
- 1.6867 -1.4253 0.0000 H 0 0 0
- -2.1232 2.2950 0.0000 H 0 0 0
- 2.4343 1.4279 0.0000 H 0 0 0
- 5.9042 0.3915 0.0000 H 0 0 0
- 4.8043 1.7599 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 5 6 2 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 12 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28860-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 2.0956 0.4246 0.3948 C 0 0 1
- 1.0603 0.6313 1.5022 C 0 0 0
- 1.9284 -0.9503 -0.1990 C 0 0 0
- 1.9017 1.4369 -0.6519 N 0 0 0
- 3.5026 0.5596 0.9804 C 0 0 0
- -0.3255 0.5520 0.9154 C 0 0 0
- 2.3993 -2.0248 0.4532 O 0 0 0
- 1.3704 -1.0855 -1.2622 O 0 0 0
- 2.5368 0.9218 -1.8542 N 0 0 0
- -0.9203 -0.6797 0.7153 C 0 0 0
- -1.0014 1.7116 0.5836 C 0 0 0
- -2.1947 -0.7543 0.1762 C 0 0 0
- -2.2730 1.6442 0.0455 C 0 0 0
- -2.8729 0.4125 -0.1626 C 0 0 0
- -2.7811 -1.9653 -0.0217 O 0 0 0
- -4.1237 0.3445 -0.6919 O 0 0 0
- 1.6436 1.4214 0.0000 H 0 0 0
- 0.5929 1.4950 0.0000 H 0 0 0
- 1.3974 2.2796 0.0000 H 0 0 0
- 3.5964 -0.4180 0.0000 H 0 0 0
- 4.4802 0.6534 0.0000 H 0 0 0
- 3.4088 1.5372 0.0000 H 0 0 0
- 2.7935 -2.9243 0.0000 H 0 0 0
- 2.3824 -0.0480 0.0000 H 0 0 0
- 3.4539 1.2730 0.0000 H 0 0 0
- -0.3742 -1.4959 0.0000 H 0 0 0
- -0.5348 2.5757 0.0000 H 0 0 0
- -2.8155 2.4628 0.0000 H 0 0 0
- -3.2091 -2.8492 0.0000 H 0 0 0
- -5.1043 0.2912 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 2 0
- 6 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 12 15 1 0
- 14 16 1 0
- 13 14 1 0
- 2 17 1 0
- 2 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 5 22 1 0
- 7 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51483-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0000 0.8026 -0.1162 C 0 0 0
- -1.2492 1.3751 0.5565 C 0 0 0
- 1.2492 1.3751 0.5565 C 0 0 0
- 0.0000 -1.1555 0.0599 Br 0 0 0
- -2.7214 0.7004 -0.2363 Cl 0 0 0
- 2.7214 0.7004 -0.2363 Cl 0 0 0
- 0.0000 2.0172 0.0000 H 0 0 0
- -0.4980 2.3295 0.0000 H 0 0 0
- -2.0004 2.3295 0.0000 H 0 0 0
- 2.0004 2.3295 0.0000 H 0 0 0
- 0.4980 2.3295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 2.7067 -0.6126 -0.0505 C 0 0 0
- 1.5979 0.1306 -0.7982 C 0 0 0
- 2.8046 -0.0776 1.3796 C 0 0 0
- 2.3841 -2.1078 -0.0146 C 0 0 0
- 0.3325 -0.0753 -0.1166 O 0 0 0
- 1.9205 1.6258 -0.8340 C 0 0 0
- 3.1272 1.4176 1.3438 C 0 0 0
- 2.2862 -2.6428 -1.4447 C 0 0 0
- 3.4930 -2.8510 0.7330 C 0 0 0
- -0.8185 -0.0736 -0.8176 C 0 0 0
- 2.0184 2.1608 0.5960 C 0 0 0
- -2.1022 -0.2825 -0.1261 C 0 0 0
- -0.7974 0.1002 -2.0201 O 0 0 0
- 2.3410 3.6559 0.5602 C 0 0 0
- -3.0888 0.7162 -0.1510 C 0 0 0
- -2.3483 -1.4786 0.5543 C 0 0 0
- -4.2955 0.5066 0.5054 C 0 0 0
- -2.8598 1.9068 -0.8273 N 0 0 0
- -3.5507 -1.6675 1.1988 C 0 0 0
- -4.5205 -0.6771 1.1771 C 0 0 0
- 3.6497 -0.8006 0.0000 H 0 0 0
- 1.3931 -0.8089 0.0000 H 0 0 0
- 2.0853 0.5605 0.0000 H 0 0 0
- 1.8956 -0.3911 0.0000 H 0 0 0
- 1.4411 -1.9198 0.0000 H 0 0 0
- 2.6398 0.9877 0.0000 H 0 0 0
- 2.8295 1.9393 0.0000 H 0 0 0
- 4.0342 1.0983 0.0000 H 0 0 0
- 3.5579 2.2773 0.0000 H 0 0 0
- 1.3404 -2.4697 0.0000 H 0 0 0
- 2.1131 -3.5886 0.0000 H 0 0 0
- 3.2320 -2.8159 0.0000 H 0 0 0
- 2.9577 -3.6497 0.0000 H 0 0 0
- 4.2917 -3.3863 0.0000 H 0 0 0
- 4.0283 -2.0523 0.0000 H 0 0 0
- 1.0754 2.3488 0.0000 H 0 0 0
- 3.2809 3.4531 0.0000 H 0 0 0
- 2.5438 4.5958 0.0000 H 0 0 0
- 1.4011 3.8587 0.0000 H 0 0 0
- -1.6846 -2.1743 0.0000 H 0 0 0
- -4.9700 1.1919 0.0000 H 0 0 0
- -1.9513 2.2216 0.0000 H 0 0 0
- -3.5867 2.5362 0.0000 H 0 0 0
- -3.8532 -2.5802 0.0000 H 0 0 0
- -5.4409 -0.9553 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 7 11 1 0
- 19 20 1 0
- 1 21 1 0
- 2 22 1 0
- 3 23 1 0
- 3 24 1 0
- 4 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 9 35 1 0
- 11 36 1 0
- 14 37 1 0
- 14 38 1 0
- 14 39 1 0
- 16 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 19 44 1 0
- 20 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-94-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.2685 -1.1640 -1.8178 C 0 0 0
- -1.0593 -0.7662 -1.2265 C 0 0 0
- 1.3827 -0.6323 -0.9536 C 0 0 0
- 0.3598 -2.6897 -1.8862 C 0 0 0
- 0.3941 -0.5819 -3.2272 C 0 0 0
- -1.6029 0.4703 -1.5207 C 0 0 0
- -1.7345 -1.6411 -0.3953 C 0 0 0
- 2.6994 -0.8605 -1.3077 C 0 0 0
- 1.0862 0.0878 0.1891 C 0 0 0
- -2.8212 0.8377 -0.9800 C 0 0 0
- -2.9527 -1.2791 0.1481 C 0 0 0
- 3.7236 -0.3735 -0.5169 C 0 0 0
- 2.1061 0.5770 0.9834 C 0 0 0
- -3.4983 -0.0361 -0.1413 C 0 0 0
- -3.5636 2.5296 -1.3824 Br 0 0 0
- -3.8755 -2.4764 1.2842 Br 0 0 0
- 3.4290 0.3449 0.6331 C 0 0 0
- 5.5244 -0.6866 -1.0018 Br 0 0 0
- 1.6996 1.5621 2.5455 Br 0 0 0
- -4.6963 0.3225 0.3917 O 0 0 0
- 4.4340 0.8248 1.4124 O 0 0 0
- -0.5840 -2.7462 0.0000 H 0 0 0
- 0.4163 -3.6335 0.0000 H 0 0 0
- 1.3036 -2.6332 0.0000 H 0 0 0
- 1.3183 -0.7813 0.0000 H 0 0 0
- 0.5935 0.3423 0.0000 H 0 0 0
- -0.5301 -0.3825 0.0000 H 0 0 0
- -0.9761 1.1782 0.0000 H 0 0 0
- -1.4440 -2.5409 0.0000 H 0 0 0
- 2.8277 -1.7973 0.0000 H 0 0 0
- 0.2035 0.4266 0.0000 H 0 0 0
- -5.6021 0.5936 0.0000 H 0 0 0
- 5.2872 1.2322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 10 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 17 21 1 0
- 11 14 1 0
- 13 17 1 0
- 4 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2381-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.6390 0.0916 0.0036 C 0 0 0
- 0.3561 -1.2992 0.0001 C 0 0 0
- 2.0448 0.5262 0.0024 C 0 0 0
- -0.3296 0.9942 0.0025 N 0 0 0
- -0.9677 -1.7413 0.0010 C 0 0 0
- 1.4493 -2.2682 -0.0049 C 0 0 0
- 3.0703 -0.4420 -0.0021 C 0 0 0
- 2.3740 1.8834 0.0052 C 0 0 0
- -1.6120 0.6410 -0.0017 C 0 0 0
- -1.9813 -0.7773 0.0054 C 0 0 0
- -1.2951 -3.2123 -0.0031 C 0 0 0
- 2.7344 -1.8627 -0.0059 C 0 0 0
- 4.4082 -0.0251 -0.0033 C 0 0 0
- 3.6973 2.2622 0.0035 C 0 0 0
- -2.6405 1.6031 -0.0035 C 0 0 0
- -3.3433 -1.1302 0.0070 C 0 0 0
- 4.7058 1.3068 -0.0001 C 0 0 0
- -3.9381 1.1982 -0.0083 C 0 0 0
- -4.2869 -0.1511 0.0118 C 0 0 0
- -5.0298 2.2372 -0.0101 C 0 0 0
- 1.2308 -3.2943 0.0000 H 0 0 0
- 1.6172 2.6099 0.0000 H 0 0 0
- -2.3192 -2.9844 0.0000 H 0 0 0
- -1.5230 -4.2364 0.0000 H 0 0 0
- -0.2710 -3.4402 0.0000 H 0 0 0
- 3.5030 -2.5768 0.0000 H 0 0 0
- 5.1799 -0.7358 0.0000 H 0 0 0
- 3.9465 3.2813 0.0000 H 0 0 0
- -2.4066 2.6258 0.0000 H 0 0 0
- -3.6284 -2.1398 0.0000 H 0 0 0
- 5.7092 1.6131 0.0000 H 0 0 0
- -5.3016 -0.4177 0.0000 H 0 0 0
- -4.3065 2.9971 0.0000 H 0 0 0
- -5.7897 2.9605 0.0000 H 0 0 0
- -5.7531 1.4773 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 18 20 1 0
- 7 12 2 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-10-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.1937 -0.2719 0.2268 C 0 0 0
- -0.2650 -0.4364 0.3725 C 0 0 0
- 1.7549 1.0105 0.1593 C 0 0 0
- 2.0239 -1.3936 0.1612 C 0 0 0
- -1.0739 -0.2456 -0.6885 N 0 0 0
- -0.7375 -0.7442 1.4498 O 0 0 0
- 3.1281 1.1539 0.0223 C 0 0 0
- 0.9588 2.1071 0.2273 O 0 0 0
- 3.3868 -1.2333 0.0250 C 0 0 0
- -2.4608 -0.1999 -0.5113 C 0 0 0
- 3.9374 0.0363 -0.0477 C 0 0 0
- 3.8928 2.8809 -0.0695 Br 0 0 0
- 4.5091 -2.7527 -0.0631 Br 0 0 0
- -3.2098 -1.3670 -0.5815 C 0 0 0
- -3.0905 1.0123 -0.2592 C 0 0 0
- -4.5790 -1.3190 -0.4057 C 0 0 0
- -4.4595 1.0544 -0.0843 C 0 0 0
- -5.2042 -0.1096 -0.1600 C 0 0 0
- -7.0788 -0.0479 0.0801 Br 0 0 0
- 1.6126 -2.3444 0.0000 H 0 0 0
- -0.9373 0.7813 0.0000 H 0 0 0
- 0.3502 2.9454 0.0000 H 0 0 0
- 4.9672 0.1488 0.0000 H 0 0 0
- -2.7290 -2.2846 0.0000 H 0 0 0
- -2.5392 1.8893 0.0000 H 0 0 0
- -5.1331 -2.1943 0.0000 H 0 0 0
- -4.9429 1.9707 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 9 11 2 0
- 17 18 1 0
- 4 20 1 0
- 5 21 1 0
- 8 22 1 0
- 11 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-603-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.0001 -0.0009 0.0047 P 0 0 0
- -1.6136 -0.9456 -0.0124 C 0 0 0
- 1.6249 -0.9262 0.0332 C 0 0 0
- -0.0108 1.8690 -0.0146 C 0 0 0
- -2.2889 -1.1966 1.1796 C 0 0 0
- -2.1473 -1.3956 -1.2180 C 0 0 0
- 2.1955 -1.3732 -1.1561 C 0 0 0
- 2.2716 -1.1657 1.2437 C 0 0 0
- 1.1557 2.5715 -0.3067 C 0 0 0
- -1.1872 2.5639 0.2575 C 0 0 0
- -3.4797 -1.8944 1.1616 C 0 0 0
- -3.3383 -2.0923 -1.2251 C 0 0 0
- 3.3948 -2.0557 -1.1296 C 0 0 0
- 3.4703 -1.8490 1.2594 C 0 0 0
- 1.1423 3.9516 -0.3201 C 0 0 0
- -1.1901 3.9436 0.2415 C 0 0 0
- -4.0025 -2.3441 -0.0376 C 0 0 0
- 4.0301 -2.2960 0.0755 C 0 0 0
- -0.0272 4.6370 -0.0441 C 0 0 0
- -2.7266 -0.2739 0.0000 H 0 0 0
- -1.5581 -2.2298 0.0000 H 0 0 0
- 1.6265 -2.2213 0.0000 H 0 0 0
- 2.7033 -0.2401 0.0000 H 0 0 0
- 2.0473 2.0734 0.0000 H 0 0 0
- -2.0736 2.0567 0.0000 H 0 0 0
- -4.0733 -1.0633 0.0000 H 0 0 0
- -2.8979 -3.0137 0.0000 H 0 0 0
- 2.9603 -2.9799 0.0000 H 0 0 0
- 4.0435 -1.0038 0.0000 H 0 0 0
- 2.0259 4.4637 0.0000 H 0 0 0
- -2.0787 4.4471 0.0000 H 0 0 0
- -4.8804 -2.8660 0.0000 H 0 0 0
- 4.9175 -2.8014 0.0000 H 0 0 0
- -0.0311 5.6583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-31688-71-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -0.2784 0.0014 -0.4326 C 0 0 0
- 0.4014 -1.2042 -0.2680 C 0 0 0
- 0.4052 1.2045 -0.2676 C 0 0 0
- -1.7417 0.0039 -0.7928 C 0 0 0
- 1.8267 -1.2065 0.0767 C 0 0 0
- -0.2597 -2.4412 -0.4271 C 0 0 0
- 1.8307 1.2021 0.0771 C 0 0 0
- -0.2519 2.4438 -0.4262 C 0 0 0
- -2.5389 0.0017 0.4207 O 0 0 0
- 2.5104 -0.0032 0.2417 C 0 0 0
- 2.4840 -2.4455 0.2364 C 0 0 0
- 0.4322 -3.5969 -0.2590 C 0 0 0
- 2.4920 2.4390 0.2372 C 0 0 0
- 0.4438 3.5971 -0.2578 C 0 0 0
- -3.8789 0.0033 0.3435 C 0 0 0
- 3.9751 -0.0055 0.5964 C 0 0 0
- 1.7885 -3.5990 0.0689 C 0 0 0
- 1.8001 3.5948 0.0701 C 0 0 0
- -4.7063 0.0010 1.6030 C 0 0 0
- -4.4218 0.0066 -0.7360 O 0 0 0
- -1.2226 0.9026 0.0000 H 0 0 0
- -2.2617 0.9020 0.0000 H 0 0 0
- -1.2972 -2.4664 0.0000 H 0 0 0
- -1.2893 2.4725 0.0000 H 0 0 0
- 3.5214 -2.4739 0.0000 H 0 0 0
- -0.0803 -4.4994 0.0000 H 0 0 0
- 3.5295 2.4641 0.0000 H 0 0 0
- -0.0657 4.5012 0.0000 H 0 0 0
- 3.9735 -1.0433 0.0000 H 0 0 0
- 5.0129 -0.0071 0.0000 H 0 0 0
- 3.9767 1.0323 0.0000 H 0 0 0
- 2.2981 -4.5030 0.0000 H 0 0 0
- 2.3126 4.4972 0.0000 H 0 0 0
- -4.7092 1.0388 0.0000 H 0 0 0
- -5.7441 -0.0019 0.0000 H 0 0 0
- -4.7034 -1.0368 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 1 0
- 15 20 2 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2461-15-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- 3.7127 0.0330 -0.1211 C 0 0 0
- 4.8789 -0.7880 0.4328 C 0 0 0
- 4.3149 -1.0336 -0.8571 O 0 0 0
- 2.4039 -0.4541 0.5040 C 0 0 0
- 1.3146 0.3127 -0.0133 O 0 0 0
- 0.1273 -0.1871 0.6051 C 0 0 0
- -1.0832 0.5954 0.0919 C 0 0 0
- -2.3545 0.0603 0.7540 C 0 0 0
- -0.9150 2.0772 0.4341 C 0 0 0
- -3.2955 -0.4904 -0.3194 C 0 0 0
- -0.9978 2.9090 -0.8473 C 0 0 0
- -4.5178 -1.1223 0.3494 C 0 0 0
- -5.4588 -1.6729 -0.7240 C 0 0 0
- 3.8408 1.0238 0.0000 H 0 0 0
- 5.4372 -1.6166 0.0000 H 0 0 0
- 5.5926 -0.0888 0.0000 H 0 0 0
- 1.6777 -1.1403 0.0000 H 0 0 0
- 2.9318 -1.3023 0.0000 H 0 0 0
- -0.5706 -0.9020 0.0000 H 0 0 0
- 0.6897 -1.0128 0.0000 H 0 0 0
- -1.1707 -0.3999 0.0000 H 0 0 0
- -2.2732 1.0561 0.0000 H 0 0 0
- -3.2002 0.5922 0.0000 H 0 0 0
- -0.0716 1.5415 0.0000 H 0 0 0
- -0.0643 2.6012 0.0000 H 0 0 0
- -3.3245 -1.4891 0.0000 H 0 0 0
- -2.4361 -0.9999 0.0000 H 0 0 0
- -0.0036 3.0080 0.0000 H 0 0 0
- -1.0968 3.9032 0.0000 H 0 0 0
- -1.9920 2.8100 0.0000 H 0 0 0
- -4.4888 -0.1236 0.0000 H 0 0 0
- -5.3772 -0.6127 0.0000 H 0 0 0
- -5.9634 -0.8106 0.0000 H 0 0 0
- -6.3211 -2.1775 0.0000 H 0 0 0
- -4.9542 -2.5352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 2 3 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 13 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88741-68-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.7190 0.8633 -0.0191 C 0 0 0
- -0.9799 -0.5234 -0.0935 C 0 0 0
- 0.5974 1.3645 0.0271 C 0 0 0
- -1.8018 1.7751 0.0041 C 0 0 0
- -2.3009 -0.9704 -0.1375 C 0 0 0
- 0.1390 -1.4749 -0.1241 C 0 0 0
- 1.7413 0.4314 -0.0024 C 0 0 0
- 0.8003 2.6718 0.0964 N 0 0 0
- -3.1224 1.2933 -0.0464 C 0 0 0
- -1.5100 3.1473 0.0782 C 0 0 0
- -3.3603 -0.0487 -0.1085 C 0 0 0
- -2.5625 -2.2974 -0.2089 O 0 0 0
- 1.5172 -0.9573 -0.0763 C 0 0 0
- -0.0697 -2.6732 -0.1875 O 0 0 0
- 3.0452 0.9163 0.0420 C 0 0 0
- -0.1913 3.5431 0.1246 C 0 0 0
- -4.6415 -0.5000 -0.1531 O 0 0 0
- -2.8326 -2.7374 1.1236 C 0 0 0
- 2.6034 -1.8355 -0.1039 C 0 0 0
- 4.1115 0.0313 0.0132 C 0 0 0
- -5.4868 0.6514 -0.1088 C 0 0 0
- 3.8869 -1.3408 -0.0587 C 0 0 0
- 5.3827 0.5053 0.0560 O 0 0 0
- 6.2488 -0.6305 0.0116 C 0 0 0
- -3.9236 1.9657 0.0000 H 0 0 0
- -2.2793 3.8559 0.0000 H 0 0 0
- 3.2205 1.9474 0.0000 H 0 0 0
- 0.0315 4.5650 0.0000 H 0 0 0
- -3.7240 -2.1902 0.0000 H 0 0 0
- -3.3798 -3.6288 0.0000 H 0 0 0
- -1.9412 -3.2846 0.0000 H 0 0 0
- 2.4409 -2.8687 0.0000 H 0 0 0
- -4.6437 1.2704 0.0000 H 0 0 0
- -6.1058 1.4945 0.0000 H 0 0 0
- -6.3299 0.0324 0.0000 H 0 0 0
- 4.6985 -2.0006 0.0000 H 0 0 0
- 5.4171 -1.2647 0.0000 H 0 0 0
- 6.8830 -1.4622 0.0000 H 0 0 0
- 7.0805 0.0037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 15 20 2 0
- 17 21 1 0
- 19 22 2 0
- 20 23 1 0
- 23 24 1 0
- 7 13 2 0
- 9 11 2 0
- 10 16 2 0
- 20 22 1 0
- 9 25 1 0
- 10 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 24 37 1 0
- 24 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-43210-67-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.7233 -0.5970 -0.2238 C 0 0 0
- -0.8199 -1.6359 0.7165 C 0 0 0
- 0.4898 -0.3712 -0.8789 C 0 0 0
- -1.9429 -0.0016 -0.2883 N 0 0 0
- -2.1243 -1.6094 1.1859 N 0 0 0
- 0.2836 -2.4306 0.9907 C 0 0 0
- 1.5816 -1.1719 -0.5952 C 0 0 0
- -2.7672 -0.5962 0.5361 C 0 0 0
- 1.4764 -2.2003 0.3394 C 0 0 0
- 3.1130 -0.8903 -1.4199 S 0 0 0
- -4.0933 -0.2460 0.7248 N 0 0 0
- 3.8116 0.3312 -0.3595 C 0 0 0
- -4.6538 0.7091 -0.0433 C 0 0 0
- 4.9730 0.9968 -0.7337 C 0 0 0
- 3.1995 0.6355 0.8503 C 0 0 0
- -5.9689 0.9755 0.0665 O 0 0 0
- -3.9724 1.3297 -0.8349 O 0 0 0
- 5.5173 1.9536 0.0995 C 0 0 0
- 3.7496 1.5938 1.6788 C 0 0 0
- -6.5728 2.0045 -0.7610 C 0 0 0
- 4.9082 2.2502 1.3056 C 0 0 0
- 0.6925 0.5171 0.0000 H 0 0 0
- -2.5713 -2.4033 0.0000 H 0 0 0
- 0.0877 -3.3204 0.0000 H 0 0 0
- 2.1486 -2.8153 0.0000 H 0 0 0
- -4.6441 -0.9718 0.0000 H 0 0 0
- 5.6183 0.3536 0.0000 H 0 0 0
- 2.3275 0.3713 0.0000 H 0 0 0
- 6.3877 2.2230 0.0000 H 0 0 0
- 3.1072 2.2399 0.0000 H 0 0 0
- -5.7870 2.4657 0.0000 H 0 0 0
- -7.0340 2.7903 0.0000 H 0 0 0
- -7.3586 1.5433 0.0000 H 0 0 0
- 4.8798 3.1609 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 5 8 1 0
- 7 9 1 0
- 19 21 2 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 9 25 1 0
- 11 26 1 0
- 14 27 1 0
- 15 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19686-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 1.7013 0.0786 -0.3410 C 0 0 0
- 0.5830 0.8572 0.3549 C 0 0 0
- 3.0466 0.7451 -0.0460 C 0 0 0
- 1.7191 -1.2654 0.1441 O 0 0 0
- -1.1456 0.0007 -0.0240 Br 0 0 0
- 0.7526 -0.4249 0.0000 H 0 0 0
- 1.3350 1.6239 0.0000 H 0 0 0
- -0.0476 1.7266 0.0000 H 0 0 0
- 3.5234 -0.2173 0.0000 H 0 0 0
- 4.0090 1.2219 0.0000 H 0 0 0
- 2.5698 1.7075 0.0000 H 0 0 0
- 1.7333 -2.3393 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2213-00-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -0.6841 0.5354 0.6457 C 0 0 2
- -1.0640 -0.8813 0.2693 C 0 0 2
- 0.7779 0.8648 0.7424 C 0 0 1
- -1.2054 -0.4134 1.7224 C 0 0 0
- -1.5953 1.6583 0.2217 C 0 0 0
- 0.0763 -1.8333 0.0852 C 0 0 0
- -2.3098 -1.1342 -0.5400 C 0 0 0
- 1.6581 -0.2965 1.2212 C 0 0 1
- 1.3777 1.2360 -0.6293 C 0 0 0
- -1.9906 1.7553 -1.0574 O 0 0 0
- -1.9700 2.4714 1.0332 O 0 0 0
- 1.2992 -1.5689 0.5077 C 0 0 0
- -0.1739 -3.1070 -0.5888 C 0 0 0
- -3.1685 -1.8682 -0.1132 O 0 0 0
- 3.0816 0.1071 0.7630 C 0 0 0
- 2.9000 1.0738 -0.4215 C 0 0 0
- -2.8685 2.8373 -1.4659 C 0 0 0
- 0.7083 -3.9364 -0.6654 O 0 0 0
- 3.5411 0.4865 -1.6804 C 0 0 0
- 3.5317 2.4285 -0.0953 C 0 0 0
- 0.4135 1.7567 0.0000 H 0 0 0
- -1.9033 0.2509 0.0000 H 0 0 0
- -2.0259 -0.9185 0.0000 H 0 0 0
- -2.7321 -0.2682 0.0000 H 0 0 0
- 0.7114 -0.4755 0.0000 H 0 0 0
- 1.7614 2.1198 0.0000 H 0 0 0
- 0.6490 1.8663 0.0000 H 0 0 0
- 1.9590 -2.2710 0.0000 H 0 0 0
- -1.0911 -3.4020 0.0000 H 0 0 0
- 3.3163 -0.8273 0.0000 H 0 0 0
- 4.0227 0.3135 0.0000 H 0 0 0
- -2.1203 3.4443 0.0000 H 0 0 0
- -3.4755 3.5855 0.0000 H 0 0 0
- -3.6167 2.2303 0.0000 H 0 0 0
- 2.8903 -0.2239 0.0000 H 0 0 0
- 4.2515 -0.1643 0.0000 H 0 0 0
- 4.1919 1.1969 0.0000 H 0 0 0
- 4.4049 2.0213 0.0000 H 0 0 0
- 3.9389 3.3017 0.0000 H 0 0 0
- 2.6585 2.8357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 13 18 2 0
- 16 19 1 0
- 16 20 1 0
- 2 4 1 0
- 8 12 1 0
- 15 16 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-144280-50-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.7377 0.4102 -0.0026 C 0 0 0
- -0.7377 0.4102 -0.0011 C 0 0 0
- 1.1171 1.7596 -0.0007 C 0 0 0
- 1.7047 -0.5895 -0.0002 C 0 0 0
- -1.1171 1.7596 0.0016 C 0 0 0
- -1.7047 -0.5895 -0.0018 C 0 0 0
- 0.0000 2.5197 0.0017 O 0 0 0
- 2.4687 2.0836 -0.0015 C 0 0 0
- 3.0410 -0.2487 -0.0018 C 0 0 0
- -2.4687 2.0836 0.0031 C 0 0 0
- -3.0410 -0.2487 0.0001 C 0 0 0
- 3.4191 1.0846 -0.0042 C 0 0 0
- 4.0736 -1.3092 0.0012 N 0 3 0
- -3.4191 1.0846 0.0020 C 0 0 0
- -4.0736 -1.3092 -0.0006 N 0 3 0
- 5.2542 -1.0097 -0.0002 O 0 0 0
- 3.7427 -2.4814 0.0050 O 0 5 0
- -5.2542 -1.0097 0.0011 O 0 0 0
- -3.7427 -2.4814 -0.0030 O 0 5 0
- 1.4213 -1.5895 0.0000 H 0 0 0
- -1.4213 -1.5895 0.0000 H 0 0 0
- 2.7635 3.0803 0.0000 H 0 0 0
- -2.7635 3.0803 0.0000 H 0 0 0
- 4.4282 1.3338 0.0000 H 0 0 0
- -4.4282 1.3338 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 11 15 1 0
- 13 16 2 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.0693 -0.8112 -0.0018 N 0 0 0
- -1.2968 -0.1417 0.0019 C 0 0 0
- 1.1242 -0.0829 -0.0172 C 0 0 0
- -0.0379 -2.1007 0.0145 N 0 0 0
- -2.4799 -0.8555 -0.1460 C 0 0 0
- -1.3369 1.2380 0.1591 C 0 0 0
- 1.6858 0.3076 -1.2263 C 0 0 0
- 1.7482 0.2568 1.1770 C 0 0 0
- 1.0286 -2.6828 0.1000 O 0 0 0
- -3.6902 -0.1913 -0.1415 C 0 0 0
- -2.5512 1.8960 0.1627 C 0 0 0
- 2.8649 1.0268 -1.2379 C 0 0 0
- 2.9267 0.9759 1.1580 C 0 0 0
- -3.7261 1.1831 0.0100 C 0 0 0
- 3.4861 1.3582 -0.0479 C 0 0 0
- -2.4587 -1.8885 0.0000 H 0 0 0
- -0.4570 1.7795 0.0000 H 0 0 0
- 1.1216 1.1731 0.0000 H 0 0 0
- 2.2644 -0.6382 0.0000 H 0 0 0
- -4.5724 -0.7291 0.0000 H 0 0 0
- -2.5764 2.9289 0.0000 H 0 0 0
- 2.3525 1.9240 0.0000 H 0 0 0
- 3.4874 0.1081 0.0000 H 0 0 0
- -4.6330 1.6781 0.0000 H 0 0 0
- 4.3697 1.8936 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 11 14 2 0
- 13 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2164-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -0.2182 -0.4608 -0.0113 N 0 0 0
- -1.6829 -0.4704 0.0140 C 0 0 0
- 0.4457 0.7112 -0.0497 C 0 0 0
- 0.4612 -1.6225 0.0094 C 0 0 0
- -2.1764 0.2765 1.2547 C 0 0 0
- -2.2192 0.2180 -1.2427 C 0 0 0
- 1.8631 0.7109 -0.0738 C 0 0 0
- -0.1676 1.7632 -0.0640 O 0 0 0
- 1.8051 -1.6369 -0.0132 N 0 0 0
- -0.1491 -2.6734 0.0496 O 0 0 0
- -3.7062 0.2665 1.2812 C 0 0 0
- -3.7490 0.2080 -1.2162 C 0 0 0
- 2.5196 -0.4671 -0.0581 C 0 0 0
- 2.8453 1.8605 -0.1162 C 0 0 0
- -4.2425 0.9550 0.0245 C 0 0 0
- 4.0147 -0.2338 -0.0888 C 0 0 0
- 4.1973 1.2471 0.3094 C 0 0 0
- -2.1239 -1.3806 0.0000 H 0 0 0
- -1.2415 0.6624 0.0000 H 0 0 0
- -2.3763 1.2680 0.0000 H 0 0 0
- -1.3056 0.6519 0.0000 H 0 0 0
- -2.4448 1.2039 0.0000 H 0 0 0
- 2.2952 -2.5217 0.0000 H 0 0 0
- -4.6198 -0.1674 0.0000 H 0 0 0
- -3.4806 -0.7195 0.0000 H 0 0 0
- -4.6840 -0.1778 0.0000 H 0 0 0
- -3.5491 -0.7835 0.0000 H 0 0 0
- 3.3475 2.7384 0.0000 H 0 0 0
- 2.0182 2.4427 0.0000 H 0 0 0
- -3.8380 1.8820 0.0000 H 0 0 0
- -5.2502 0.8679 0.0000 H 0 0 0
- 4.0777 -1.2433 0.0000 H 0 0 0
- 5.0257 -0.2643 0.0000 H 0 0 0
- 5.1835 1.0227 0.0000 H 0 0 0
- 4.5201 2.2056 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 2 0
- 7 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 1 0
- 9 13 1 0
- 12 15 1 0
- 16 17 1 0
- 2 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109875-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 2.3132 -0.7919 0.0148 N 0 0 0
- 0.9934 -1.1686 0.0282 C 0 0 0
- 2.8226 0.5797 -0.0587 C 0 0 2
- 3.0628 -1.9281 0.0884 C 0 0 0
- 0.9921 -2.5723 0.1073 C 0 0 0
- -0.1650 -0.5217 -0.0144 N 0 0 0
- 4.0995 0.5835 -0.7334 O 0 0 0
- 3.1276 1.0927 1.3662 C 0 0 0
- 2.2858 -2.9708 0.1457 N 0 0 0
- -0.2471 -3.2375 0.1374 C 0 0 0
- -1.3097 -1.1867 0.0169 C 0 0 0
- 4.7523 1.7988 -0.3059 C 0 0 1
- 4.4263 1.9132 1.1998 C 0 0 1
- -1.3577 -2.5127 0.0901 N 0 0 0
- -0.3067 -4.6180 0.2144 N 0 0 0
- -2.5814 -0.4258 -0.0323 C 0 0 0
- 6.2645 1.6577 -0.4910 C 0 0 0
- 4.1717 3.2801 1.5295 O 0 0 0
- -3.8016 -1.0995 -0.0008 C 0 0 0
- -2.5616 0.9659 -0.1043 C 0 0 0
- 6.5586 1.4621 -1.8756 O 0 0 0
- -4.9818 -0.3862 -0.0469 C 0 0 0
- -3.7485 1.6689 -0.1499 C 0 0 0
- -4.9560 0.9949 -0.1242 C 0 0 0
- -6.2255 1.7545 -0.1733 N 0 3 0
- -6.2054 2.9704 -0.2413 O 0 0 0
- -7.2902 1.1636 -0.1457 O 0 5 0
- 1.8894 1.0259 0.0000 H 0 0 0
- 4.0968 -1.9577 0.0000 H 0 0 0
- 2.9253 2.1072 0.0000 H 0 0 0
- 2.1080 1.2675 0.0000 H 0 0 0
- 4.9733 2.8094 0.0000 H 0 0 0
- 4.5429 0.8854 0.0000 H 0 0 0
- -1.2240 -5.0961 0.0000 H 0 0 0
- 0.5660 -5.1734 0.0000 H 0 0 0
- 7.1034 2.2629 0.0000 H 0 0 0
- 5.9926 2.6558 0.0000 H 0 0 0
- 3.9823 4.2970 0.0000 H 0 0 0
- -3.8219 -2.1337 0.0000 H 0 0 0
- -1.6593 1.4717 0.0000 H 0 0 0
- 7.4199 0.8892 0.0000 H 0 0 0
- -5.8875 -0.8860 0.0000 H 0 0 0
- -3.7352 2.7032 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 2 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 1 0
- 16 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 20 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 2 0
- 25 27 1 0
- 5 9 1 0
- 11 14 1 0
- 12 13 1 0
- 23 24 2 0
- 3 28 1 0
- 4 29 1 0
- 8 30 1 0
- 8 31 1 0
- 12 32 1 0
- 13 33 1 0
- 15 34 1 0
- 15 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-29-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -2.8196 -0.0347 -0.2507 C 0 0 0
- -3.7587 -0.1128 0.7901 C 0 0 0
- -1.9083 1.1189 -0.3417 C 0 0 0
- -2.7512 -1.0615 -1.1969 C 0 0 0
- -4.6128 -1.2065 0.8644 C 0 0 0
- -3.8334 0.8968 1.7401 N 0 0 0
- -0.5760 0.9332 -0.2595 O 0 0 0
- -2.3577 2.2380 -0.4908 O 0 0 0
- -3.6025 -2.1401 -1.1028 C 0 0 0
- -4.5363 -2.2086 -0.0805 C 0 0 0
- 0.3224 2.0703 -0.3491 C 0 0 0
- 1.7476 1.5952 -0.2295 C 0 0 0
- 2.0048 0.3046 -0.0694 C 0 0 0
- 3.4026 -0.1614 0.0480 C 0 0 0
- 3.6766 -1.5189 0.2165 C 0 0 0
- 4.4541 0.7540 -0.0151 C 0 0 0
- 4.9838 -1.9476 0.3249 C 0 0 0
- 5.7564 0.3126 0.0947 C 0 0 0
- 6.0213 -1.0345 0.2669 C 0 0 0
- -1.7666 -1.3670 0.0000 H 0 0 0
- -5.5997 -0.9083 0.0000 H 0 0 0
- -2.9811 1.4767 0.0000 H 0 0 0
- -4.7618 1.3450 0.0000 H 0 0 0
- -3.1192 -3.0507 0.0000 H 0 0 0
- -5.2088 -2.9900 0.0000 H 0 0 0
- 0.7591 3.0042 0.0000 H 0 0 0
- -0.5549 2.6118 0.0000 H 0 0 0
- 2.5207 2.2772 0.0000 H 0 0 0
- 1.2317 -0.3774 0.0000 H 0 0 0
- 2.9060 -2.2037 0.0000 H 0 0 0
- 4.2546 1.7654 0.0000 H 0 0 0
- 5.1910 -2.9575 0.0000 H 0 0 0
- 6.5321 0.9917 0.0000 H 0 0 0
- 6.9974 -1.3661 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 9 10 1 0
- 18 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-113163-24-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- -0.5133 -0.1393 0.0221 C 0 0 0
- -1.3755 -1.3615 -0.0019 C 0 0 0
- 0.8897 -0.2924 -0.0154 C 0 0 0
- -1.0372 1.1132 0.0843 C 0 0 0
- -2.7919 -1.1546 -0.4700 C 0 0 0
- -2.4594 -1.2131 0.9181 O 0 0 0
- 1.7173 0.8543 0.0269 C 0 0 0
- 1.4396 -1.5090 -0.0898 N 0 0 0
- -2.5368 1.2798 0.0935 C 0 0 0
- -0.2210 2.2424 0.1326 C 0 0 0
- -3.1371 0.2617 -0.8745 C 0 0 0
- 1.1348 2.1297 0.1058 C 0 0 0
- 3.1153 0.6899 -0.0109 C 0 0 0
- 2.7405 -1.6666 -0.1248 C 0 0 0
- 3.6121 -0.5802 -0.0861 C 0 0 0
- -0.9589 -2.3196 0.0000 H 0 0 0
- -3.5063 -1.9170 0.0000 H 0 0 0
- -2.2769 2.2918 0.0000 H 0 0 0
- -3.5023 1.6790 0.0000 H 0 0 0
- -0.6575 3.1916 0.0000 H 0 0 0
- -3.8657 1.0105 0.0000 H 0 0 0
- -4.0513 -0.2441 0.0000 H 0 0 0
- 1.7356 2.9845 0.0000 H 0 0 0
- 3.7538 1.5169 0.0000 H 0 0 0
- 3.1349 -2.6341 0.0000 H 0 0 0
- 4.6449 -0.7380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 13 15 2 0
- 5 6 1 0
- 9 11 1 0
- 10 12 2 0
- 14 15 1 0
- 2 16 1 0
- 5 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81593-13-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 0.2098 0.9332 0.5495 C 0 0 0
- 0.0758 -0.5728 0.8216 C 0 0 0
- -0.3584 0.0196 -0.4507 N 0 0 0
- 1.5414 1.4476 0.0567 C 0 0 0
- 1.2837 -1.4461 0.5786 C 0 0 0
- -2.0309 0.1845 -0.3616 P 0 0 0
- 2.6011 0.5691 -0.1386 C 0 0 0
- 1.6987 2.7953 -0.1978 C 0 0 0
- 2.4713 -0.8853 0.1226 C 0 0 0
- 1.1999 -2.8042 0.8120 C 0 0 0
- -2.7329 -1.0363 -1.1419 O 0 0 0
- -2.4901 0.1701 1.1815 O 0 0 0
- -2.4342 1.4651 -0.9844 O 0 0 0
- 3.8251 1.0660 -0.5951 C 0 0 0
- 2.9130 3.2794 -0.6493 C 0 0 0
- 3.5771 -1.7114 -0.0961 C 0 0 0
- 2.2986 -3.6152 0.5932 C 0 0 0
- -4.1424 -0.8094 -1.0810 C 0 0 0
- -2.8879 1.5036 1.5065 C 0 0 0
- 3.9735 2.4132 -0.8467 C 0 0 0
- 3.4847 -3.0666 0.1393 C 0 0 0
- -4.8728 -1.9402 -1.8082 C 0 0 0
- -3.3944 1.5473 2.9496 C 0 0 0
- -0.4404 1.7186 0.0000 H 0 0 0
- -0.6428 -1.2961 0.0000 H 0 0 0
- 0.8893 3.4155 0.0000 H 0 0 0
- 0.2759 -3.2354 0.0000 H 0 0 0
- 4.6384 0.4510 0.0000 H 0 0 0
- 3.0682 4.2872 0.0000 H 0 0 0
- 4.5037 -1.2858 0.0000 H 0 0 0
- 2.1955 -4.6296 0.0000 H 0 0 0
- -3.8434 0.1654 0.0000 H 0 0 0
- -5.0668 -0.3792 0.0000 H 0 0 0
- -1.8820 1.6707 0.0000 H 0 0 0
- -2.9279 2.5225 0.0000 H 0 0 0
- 4.9173 2.7991 0.0000 H 0 0 0
- 4.3246 -3.6447 0.0000 H 0 0 0
- -5.7293 -1.3870 0.0000 H 0 0 0
- -5.4260 -2.7967 0.0000 H 0 0 0
- -4.0163 -2.4934 0.0000 H 0 0 0
- -3.3068 2.5632 0.0000 H 0 0 0
- -4.4103 1.6349 0.0000 H 0 0 0
- -3.4820 0.5314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 1 0
- 19 23 1 0
- 2 3 1 0
- 7 9 1 0
- 15 20 1 0
- 17 21 1 0
- 1 24 1 0
- 2 25 1 0
- 8 26 1 0
- 10 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15980-15-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 1.0565 -1.1562 0.3308 C 0 0 0
- -0.3058 -1.3825 -0.3327 C 0 0 0
- 1.6798 -0.0003 -0.2186 O 0 0 0
- -1.4012 0.0003 0.1105 S 0 0 0
- 1.0570 1.1558 0.3308 C 0 0 0
- -0.3053 1.3826 -0.3327 C 0 0 0
- 0.9995 -2.1904 0.0000 H 0 0 0
- 2.0534 -1.4373 0.0000 H 0 0 0
- -1.2140 -1.8804 0.0000 H 0 0 0
- 0.0328 -2.3613 0.0000 H 0 0 0
- 2.0540 1.4365 0.0000 H 0 0 0
- 1.0003 2.1900 0.0000 H 0 0 0
- 0.0337 2.3613 0.0000 H 0 0 0
- -1.2133 1.8809 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-59-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.4296 -1.2383 -0.0022 C 0 0 0
- -1.1119 -2.0916 -0.0131 S 0 0 0
- 0.9973 -0.8406 1.2027 C 0 0 0
- 1.0836 -0.9663 -1.1977 C 0 0 0
- -2.2200 -0.7216 -0.0150 C 0 0 0
- 2.2052 -0.1722 1.2073 C 0 0 0
- 2.2916 -0.2973 -1.1853 C 0 0 0
- -3.5815 -0.9292 0.1657 C 0 0 0
- -1.7313 0.5670 -0.1914 C 0 0 0
- 2.8506 0.1019 0.0149 C 0 0 0
- -4.4496 0.1446 0.1646 C 0 0 0
- -2.5995 1.6402 -0.1924 C 0 0 0
- 4.1457 0.8189 0.0241 N 0 3 0
- -3.9616 1.4319 -0.0170 C 0 0 0
- 4.7152 1.0610 -1.0250 O 0 0 0
- 4.6418 1.1667 1.0807 O 0 5 0
- -4.8418 2.5202 -0.0185 N 0 0 0
- 0.4498 0.0360 0.0000 H 0 0 0
- 1.5331 -1.8970 0.0000 H 0 0 0
- 1.7524 0.7569 0.0000 H 0 0 0
- 2.8432 -1.1713 0.0000 H 0 0 0
- -3.9551 -1.8929 0.0000 H 0 0 0
- -0.7108 0.7305 0.0000 H 0 0 0
- -5.4701 -0.0188 0.0000 H 0 0 0
- -2.2263 2.6040 0.0000 H 0 0 0
- -4.4708 3.4849 0.0000 H 0 0 0
- -5.8627 2.3591 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 7 10 2 0
- 12 14 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 17 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106636-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.6649 0.3837 0.0469 C 0 0 0
- -1.4654 -0.6979 -0.0766 C 0 0 0
- 0.8184 0.3765 0.0446 C 0 0 0
- -1.4567 1.4768 0.1674 N 0 0 0
- -2.7857 -0.2518 -0.0239 N 0 0 0
- -1.0208 -2.1037 -0.2390 N 0 3 0
- 1.5219 1.3824 -0.6162 C 0 0 0
- 1.5140 -0.6326 0.7078 C 0 0 0
- -2.7069 1.0966 0.1214 C 0 0 0
- -4.1070 -0.8726 -0.0939 C 0 0 0
- -0.8397 -2.5602 -1.3536 O 0 0 0
- -0.8369 -2.8016 0.7421 O 0 5 0
- 2.9017 1.3709 -0.6147 C 0 0 0
- 2.8943 -0.6340 0.7027 C 0 0 0
- -4.3759 1.7059 0.1852 S 0 0 0
- -5.2756 0.1188 0.0212 C 0 0 0
- 3.5870 0.3636 0.0410 C 0 0 0
- 5.0677 0.3567 0.0391 N 0 3 0
- 5.6733 -0.5290 0.6155 O 0 0 0
- 5.6800 1.2367 -0.5390 O 0 5 0
- 1.0578 2.2825 0.0000 H 0 0 0
- 1.0427 -1.5289 0.0000 H 0 0 0
- -4.8653 -1.5438 0.0000 H 0 0 0
- -3.5504 -1.7186 0.0000 H 0 0 0
- 3.3791 2.2640 0.0000 H 0 0 0
- 3.3632 -1.5316 0.0000 H 0 0 0
- -6.1236 0.6723 0.0000 H 0 0 0
- -5.8811 -0.6929 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 9 1 0
- 14 17 2 0
- 15 16 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113058-39-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -0.5028 0.6814 -0.0041 C 0 0 0
- -0.5556 -0.7343 -0.0032 C 0 0 0
- 0.8036 1.3672 -0.0030 C 0 0 0
- -1.6713 1.4244 -0.0003 C 0 0 0
- 0.6968 -1.5143 -0.0010 C 0 0 0
- -1.7767 -1.3872 -0.0038 C 0 0 0
- 1.9918 0.6181 -0.0009 C 0 0 0
- 0.8655 2.7617 -0.0036 C 0 0 0
- -2.9115 0.7738 0.0046 C 0 0 0
- 1.9377 -0.8541 0.0002 C 0 0 0
- 0.6575 -2.9093 0.0005 C 0 0 0
- -2.9647 -0.6452 -0.0057 C 0 0 0
- 3.2259 1.2804 0.0006 C 0 0 0
- 2.0882 3.3972 -0.0021 C 0 0 0
- -4.1128 1.5079 0.0087 C 0 0 0
- 3.1167 -1.6021 0.0027 C 0 0 0
- 1.8320 -3.6293 0.0030 C 0 0 0
- -4.2181 -1.2864 -0.0059 C 0 0 0
- 3.2635 2.6630 0.0000 C 0 0 0
- 4.3820 0.5673 0.0022 O 0 0 0
- -5.3039 0.8517 0.0135 C 0 0 0
- 3.0567 -2.9782 0.0041 C 0 0 0
- -5.3563 -0.5422 -0.0072 C 0 0 0
- -1.6277 2.4704 0.0000 H 0 0 0
- -1.8119 -2.4335 0.0000 H 0 0 0
- -0.0171 3.3248 0.0000 H 0 0 0
- -0.2631 -3.4079 0.0000 H 0 0 0
- 2.1296 4.4433 0.0000 H 0 0 0
- -4.0893 2.5545 0.0000 H 0 0 0
- 4.0448 -1.1178 0.0000 H 0 0 0
- 1.7999 -4.6757 0.0000 H 0 0 0
- -4.2737 -2.3318 0.0000 H 0 0 0
- 4.1859 3.1581 0.0000 H 0 0 0
- 5.2730 0.0177 0.0000 H 0 0 0
- -6.1951 1.4011 0.0000 H 0 0 0
- 3.9421 -3.5368 0.0000 H 0 0 0
- -6.2863 -1.0229 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 13 20 1 0
- 15 21 2 0
- 16 22 2 0
- 18 23 2 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 22 1 0
- 21 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-614-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.4079 0.2088 -0.0012 C 0 0 0
- 1.1502 0.9871 -0.0005 C 0 0 0
- 3.6393 0.8663 -0.0017 C 0 0 0
- 2.3688 -1.1870 0.0046 C 0 0 0
- -0.1378 0.2950 0.0001 C 0 0 0
- 1.1873 2.2038 -0.0004 O 0 0 0
- 4.8087 0.1343 -0.0019 C 0 0 0
- 3.5454 -1.9067 0.0044 C 0 0 0
- -1.2865 1.0058 0.0007 C 0 0 0
- 4.7628 -1.2485 -0.0015 C 0 0 0
- -2.5823 0.3095 0.0013 C 0 0 0
- -3.7740 1.0420 0.0020 C 0 0 0
- -2.6293 -1.0889 -0.0046 C 0 0 0
- -4.9846 0.3818 0.0020 C 0 0 0
- -3.8476 -1.7338 -0.0045 C 0 0 0
- -5.0226 -1.0017 0.0015 C 0 0 0
- 3.6750 1.9037 0.0000 H 0 0 0
- 1.4563 -1.6818 0.0000 H 0 0 0
- -0.1695 -0.7425 0.0000 H 0 0 0
- 5.7250 0.6220 0.0000 H 0 0 0
- 3.5177 -2.9443 0.0000 H 0 0 0
- -1.2548 2.0433 0.0000 H 0 0 0
- 5.6455 -1.7947 0.0000 H 0 0 0
- -3.7471 2.0797 0.0000 H 0 0 0
- -1.7492 -1.6392 0.0000 H 0 0 0
- -5.8698 0.9239 0.0000 H 0 0 0
- -3.8841 -2.7712 0.0000 H 0 0 0
- -5.9370 -1.4930 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 8 10 1 0
- 15 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-636-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -2.7645 0.8546 -0.2014 C 0 0 0
- -3.5952 -0.1149 0.3466 C 0 0 0
- -1.5624 0.4883 -0.7737 C 0 0 0
- -3.1778 2.3036 -0.1769 C 0 0 0
- -3.2131 -1.4498 0.3167 C 0 0 0
- -4.8120 0.2521 0.9258 N 0 0 0
- -1.1850 -0.8419 -0.8018 C 0 0 0
- -2.0093 -1.8093 -0.2573 C 0 0 0
- 7.8330 0.0933 0.1585 Cl 0 0 0
- -0.8804 1.1573 0.0000 H 0 0 0
- -2.2591 2.5657 0.0000 H 0 0 0
- -3.4399 3.2223 0.0000 H 0 0 0
- -4.0965 2.0415 0.0000 H 0 0 0
- -3.8925 -2.1215 0.0000 H 0 0 0
- -5.0304 1.1822 0.0000 H 0 0 0
- -5.5083 -0.4021 0.0000 H 0 0 0
- -0.2515 -1.0454 0.0000 H 0 0 0
- -1.7384 -2.7255 0.0000 H 0 0 0
- 8.7884 0.0933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 8 2 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-962-32-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.8898 -2.2502 -0.3085 C 0 0 0
- -2.3598 -1.8074 -0.2928 C 0 0 0
- 0.1748 -1.1836 -0.1899 C 0 0 0
- -1.6814 -2.2589 0.8811 O 0 0 0
- -2.6568 -0.3328 -0.1616 C 0 0 0
- -0.1944 0.1650 -0.0712 C 0 0 0
- 1.4823 -1.5550 -0.2009 C 0 0 0
- -1.6179 0.5848 -0.0581 C 0 0 0
- -3.9688 0.0971 -0.1456 C 0 0 0
- 0.7820 1.1437 0.0378 C 0 0 0
- 2.4932 -0.5845 -0.0922 C 0 0 0
- -1.9168 1.9452 0.0621 C 0 0 0
- -4.2566 1.4444 -0.0260 C 0 0 0
- 2.1366 0.7826 0.0294 C 0 0 0
- 3.8510 -0.9437 -0.1021 C 0 0 0
- -3.2295 2.3655 0.0780 C 0 0 0
- 3.1501 1.7512 0.1378 C 0 0 0
- 4.8050 0.0220 0.0045 C 0 0 0
- 4.4553 1.3652 0.1255 C 0 0 0
- -0.4857 -3.2095 0.0000 H 0 0 0
- -3.2241 -2.3876 0.0000 H 0 0 0
- 1.7339 -2.5651 0.0000 H 0 0 0
- -4.7429 -0.5989 0.0000 H 0 0 0
- 0.5113 2.1489 0.0000 H 0 0 0
- -1.1471 2.6460 0.0000 H 0 0 0
- -5.2465 1.7666 0.0000 H 0 0 0
- 4.1251 -1.9480 0.0000 H 0 0 0
- -3.4471 3.3835 0.0000 H 0 0 0
- 2.9051 2.7629 0.0000 H 0 0 0
- 5.8104 -0.2479 0.0000 H 0 0 0
- 5.2034 2.0891 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 14 17 2 0
- 15 18 1 0
- 17 19 1 0
- 2 4 1 0
- 6 8 1 0
- 11 14 1 0
- 13 16 1 0
- 18 19 2 0
- 1 20 1 0
- 2 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71382-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.8923 -2.2749 -0.2907 C 0 0 0
- -2.3646 -1.8398 -0.2755 C 0 0 0
- 0.1667 -1.2020 -0.1791 C 0 0 0
- -1.6874 -2.2999 0.9442 N 0 0 0
- -2.6693 -0.3662 -0.1518 C 0 0 0
- -0.2095 0.1452 -0.0672 C 0 0 0
- 1.4762 -1.5664 -0.1897 C 0 0 0
- -1.6352 0.5575 -0.0545 C 0 0 0
- -3.9836 0.0568 -0.1364 C 0 0 0
- 0.7619 1.1296 0.0354 C 0 0 0
- 2.4819 -0.5900 -0.0873 C 0 0 0
- -1.9412 1.9169 0.0589 C 0 0 0
- -4.2785 1.4031 -0.0236 C 0 0 0
- 2.1183 0.7755 0.0273 C 0 0 0
- 3.8419 -0.9423 -0.0956 C 0 0 0
- -3.2562 2.3302 0.0742 C 0 0 0
- 3.1271 1.7502 0.1297 C 0 0 0
- 4.7907 0.0285 0.0061 C 0 0 0
- 4.4340 1.3711 0.1184 C 0 0 0
- -0.4754 -3.2297 0.0000 H 0 0 0
- -3.2309 -2.4186 0.0000 H 0 0 0
- -1.9780 -3.3004 0.0000 H 0 0 0
- 1.7336 -2.5760 0.0000 H 0 0 0
- -4.7547 -0.6438 0.0000 H 0 0 0
- 0.4857 2.1342 0.0000 H 0 0 0
- -1.1745 2.6224 0.0000 H 0 0 0
- -5.2709 1.7202 0.0000 H 0 0 0
- 4.1215 -1.9460 0.0000 H 0 0 0
- -3.4795 3.3479 0.0000 H 0 0 0
- 2.8765 2.7615 0.0000 H 0 0 0
- 5.7983 -0.2365 0.0000 H 0 0 0
- 5.1790 2.0994 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 2 0
- 17 19 2 0
- 2 4 1 0
- 6 8 1 0
- 11 14 2 0
- 13 16 1 0
- 18 19 1 0
- 1 20 1 0
- 2 21 1 0
- 4 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56258-32-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -1.3186 0.2508 0.1014 C 0 0 0
- -0.6064 -1.0430 0.3754 C 0 0 0
- -0.5903 1.4194 -0.0873 C 0 0 0
- -2.7151 0.3055 0.0606 C 0 0 0
- 0.7381 -1.1058 -0.3492 C 0 0 0
- -1.4643 -2.2248 -0.0859 C 0 0 0
- -0.3839 -1.1638 1.7818 O 0 0 0
- 0.8904 1.3709 -0.0023 C 0 0 0
- -1.2402 2.6249 -0.3530 C 0 0 0
- -3.5122 -0.9012 0.3143 C 0 0 0
- -3.3618 1.5208 -0.2190 C 0 0 0
- 1.5372 0.1479 -0.1342 C 0 0 0
- 1.5141 -2.3206 0.1680 C 0 0 0
- -2.8129 -2.1985 0.6348 C 0 0 0
- -1.6762 -2.1375 -1.4964 O 0 0 0
- 1.6210 2.5402 0.2105 C 0 0 0
- -2.6162 2.6731 -0.4229 C 0 0 0
- -4.7234 -0.8550 0.2669 O 0 0 0
- -4.7150 1.5679 -0.2895 O 0 0 0
- 2.9341 0.1092 -0.0924 C 0 0 0
- 2.8606 -2.4194 -0.5503 C 0 0 0
- 2.9971 2.4977 0.2821 C 0 0 0
- 3.6471 -1.1594 -0.2881 C 0 0 0
- 3.6623 1.2892 0.1329 C 0 0 0
- 4.8585 -1.1938 -0.2389 O 0 0 0
- 5.0156 1.2472 0.2049 O 0 0 0
- 0.2206 -2.0003 0.0000 H 0 0 0
- -1.0040 -3.1500 0.0000 H 0 0 0
- 0.5243 -1.6569 0.0000 H 0 0 0
- -0.6951 3.5028 0.0000 H 0 0 0
- 0.5450 -2.6794 0.0000 H 0 0 0
- 1.6590 -3.3438 0.0000 H 0 0 0
- -3.7928 -2.5266 0.0000 H 0 0 0
- -2.6566 -3.2200 0.0000 H 0 0 0
- -2.6317 -1.7438 0.0000 H 0 0 0
- 1.1340 3.4517 0.0000 H 0 0 0
- -3.0941 3.5894 0.0000 H 0 0 0
- -5.7478 1.6038 0.0000 H 0 0 0
- 2.6201 -3.4244 0.0000 H 0 0 0
- 3.8139 -2.8184 0.0000 H 0 0 0
- 3.5366 3.3791 0.0000 H 0 0 0
- 6.0485 1.2151 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 2 0
- 10 18 2 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 16 22 2 0
- 20 23 1 0
- 20 24 2 0
- 23 25 2 0
- 24 26 1 0
- 8 12 2 0
- 10 14 1 0
- 11 17 1 0
- 21 23 1 0
- 22 24 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 9 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 19 38 1 0
- 21 39 1 0
- 21 40 1 0
- 22 41 1 0
- 26 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-645-12-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 1.1276 0.2159 -0.0029 C 0 0 0
- 0.0152 -0.5479 -0.0029 O 0 0 0
- 0.7403 1.5263 -0.0005 C 0 0 0
- 2.5080 -0.2737 0.0002 C 0 0 0
- -1.0662 0.2420 -0.0005 C 0 0 0
- -0.6628 1.5321 0.0011 C 0 0 0
- 3.5342 0.6018 -0.0002 O 0 0 0
- 2.7290 -1.4697 0.0033 O 0 0 0
- -2.4720 -0.2215 0.0004 N 0 3 0
- -3.3806 0.5896 0.0026 O 0 0 0
- -2.7201 -1.4139 -0.0012 O 0 5 0
- 1.3477 2.3358 0.0000 H 0 0 0
- -1.2605 2.3488 0.0000 H 0 0 0
- 4.3041 1.2586 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 2 0
- 9 11 1 0
- 5 6 2 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7195-43-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 1.2034 -0.2128 -0.0627 C 0 0 0
- 0.0001 0.4870 0.0001 C 0 0 0
- 2.4841 0.5209 -0.1264 C 0 0 0
- 1.1962 -1.6104 -0.0595 C 0 0 0
- -1.2035 -0.2132 0.0604 C 0 0 0
- 3.6465 -0.1572 -0.1870 O 0 0 0
- 2.4890 1.7356 -0.1240 O 0 0 0
- 0.0007 -2.2976 0.0057 C 0 0 0
- -2.4842 0.5203 0.1268 C 0 0 0
- -1.1961 -1.6104 0.0575 C 0 0 0
- 4.9053 0.5639 -0.2496 C 0 0 0
- -3.6466 -0.1579 0.1850 O 0 0 0
- -2.4891 1.7350 0.1288 O 0 0 0
- 6.0627 -0.4349 -0.3107 C 0 0 0
- -4.9054 0.5630 0.2502 C 0 0 0
- 7.3890 0.3250 -0.3767 C 0 0 0
- 6.9025 -0.2612 0.8323 O 0 0 0
- -6.0628 -0.4360 0.3077 C 0 0 0
- -7.3891 0.3236 0.3764 C 0 0 0
- -6.9026 -0.2582 -0.8347 O 0 0 0
- 0.0000 1.5312 0.0000 H 0 0 0
- 2.0986 -2.1357 0.0000 H 0 0 0
- 0.0009 -3.3418 0.0000 H 0 0 0
- -2.0984 -2.1359 0.0000 H 0 0 0
- 5.6722 1.2725 0.0000 H 0 0 0
- 4.2875 1.4057 0.0000 H 0 0 0
- 5.8003 -1.4456 0.0000 H 0 0 0
- -4.2877 1.4049 0.0000 H 0 0 0
- -5.6724 1.2716 0.0000 H 0 0 0
- 8.3900 0.0280 0.0000 H 0 0 0
- 7.2682 1.3622 0.0000 H 0 0 0
- -5.8027 -1.4473 0.0000 H 0 0 0
- -7.2697 1.3609 0.0000 H 0 0 0
- -8.3894 0.0241 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 1 0
- 9 13 2 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 18 19 1 0
- 18 20 1 0
- 8 10 1 0
- 16 17 1 0
- 19 20 1 0
- 2 21 1 0
- 4 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72273-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 83 87 1 V2000
- 6.6763 0.6386 -0.4834 C 0 0 2
- 5.8515 -0.3843 0.3038 C 0 0 1
- 8.1354 0.5429 -0.0421 C 0 0 1
- 6.1435 2.0447 -0.2011 C 0 0 0
- 4.3877 -0.2995 -0.1327 C 0 0 2
- 6.3832 -1.7940 0.0453 C 0 0 0
- 8.6584 -0.8623 -0.3430 C 0 0 2
- 9.0004 1.5560 -0.7935 C 0 0 0
- 4.6788 2.1310 -0.6350 C 0 0 0
- 3.8534 1.1068 0.1462 C 0 0 1
- 3.5621 -1.3232 0.6492 C 0 0 0
- 4.2840 -0.5970 -1.6299 C 0 0 0
- 7.8550 -1.8815 0.4617 C 0 0 0
- 10.0797 -0.9451 -0.0491 N 0 0 0
- 8.4453 -1.1581 -1.8289 C 0 0 0
- 10.4039 1.5356 -0.1801 C 0 0 0
- 2.3894 1.1918 -0.2904 C 0 0 0
- 2.0982 -1.2382 0.2124 C 0 0 0
- 10.8817 0.1232 -0.0092 C 0 0 0
- 1.5638 0.1681 0.4913 C 0 0 2
- 12.0662 -0.0597 0.1761 O 0 0 0
- 0.1745 0.2488 0.0769 O 0 0 0
- -0.8036 -0.0518 0.9457 C 0 0 0
- -2.2455 0.0320 0.5156 C 0 0 0
- -0.5279 -0.3896 2.0725 O 0 0 0
- -3.0905 -0.3332 1.6086 O 0 0 0
- -4.3720 -0.2392 1.1631 C 0 0 0
- -5.4253 -0.5371 2.0146 C 0 0 0
- -4.6250 0.1600 -0.1411 C 0 0 0
- -6.7273 -0.4415 1.5631 C 0 0 0
- -5.9259 0.2561 -0.5942 C 0 0 0
- -6.9812 -0.0471 0.2563 C 0 0 0
- -8.2998 0.0496 -0.2021 N 0 0 0
- -8.8740 -1.0266 -1.0134 C 0 0 0
- -9.1061 1.2270 0.1293 C 0 0 0
- -9.1087 -2.2575 -0.1354 C 0 0 0
- -8.8035 2.3489 -0.8660 C 0 0 0
- -9.8154 -3.5820 -1.1339 Cl 0 0 0
- -9.7957 3.7980 -0.4581 Cl 0 0 0
- 7.0746 -0.2695 0.0000 H 0 0 0
- 5.4497 0.5223 0.0000 H 0 0 0
- 7.7499 1.4565 0.0000 H 0 0 0
- 7.1108 2.2629 0.0000 H 0 0 0
- 6.0628 3.0330 0.0000 H 0 0 0
- 5.4156 -2.0110 0.0000 H 0 0 0
- 6.4631 -2.7824 0.0000 H 0 0 0
- 9.2412 2.5179 0.0000 H 0 0 0
- 8.1190 2.0104 0.0000 H 0 0 0
- 4.9388 3.0879 0.0000 H 0 0 0
- 3.7955 2.5817 0.0000 H 0 0 0
- 3.4516 2.0133 0.0000 H 0 0 0
- 3.3025 -2.2802 0.0000 H 0 0 0
- 4.4454 -1.7739 0.0000 H 0 0 0
- 3.3476 -0.2706 0.0000 H 0 0 0
- 3.9576 -1.5334 0.0000 H 0 0 0
- 5.2204 -0.9234 0.0000 H 0 0 0
- 7.5981 -2.8392 0.0000 H 0 0 0
- 8.7414 -2.3260 0.0000 H 0 0 0
- 10.4970 -1.8446 0.0000 H 0 0 0
- 7.6407 -0.5785 0.0000 H 0 0 0
- 7.8657 -1.9627 0.0000 H 0 0 0
- 9.2499 -1.7377 0.0000 H 0 0 0
- 11.3732 1.7449 0.0000 H 0 0 0
- 10.3058 2.5223 0.0000 H 0 0 0
- 2.6490 2.1488 0.0000 H 0 0 0
- 1.5061 1.6425 0.0000 H 0 0 0
- 1.1311 -1.4573 0.0000 H 0 0 0
- 2.1798 -2.2264 0.0000 H 0 0 0
- 1.1621 1.0747 0.0000 H 0 0 0
- -1.8354 0.9349 0.0000 H 0 0 0
- -2.9402 0.7396 0.0000 H 0 0 0
- -5.3252 -1.5236 0.0000 H 0 0 0
- -4.1153 1.0106 0.0000 H 0 0 0
- -7.2338 -1.2940 0.0000 H 0 0 0
- -6.0279 1.2424 0.0000 H 0 0 0
- -9.4801 -0.2418 0.0000 H 0 0 0
- -9.8384 -1.2571 0.0000 H 0 0 0
- -9.9768 1.7016 0.0000 H 0 0 0
- -9.7708 0.4912 0.0000 H 0 0 0
- -8.5026 -3.0423 0.0000 H 0 0 0
- -8.1443 -2.0270 0.0000 H 0 0 0
- -7.9329 1.8743 0.0000 H 0 0 0
- -8.1387 3.0847 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 24 26 1 0
- 26 27 1 0
- 27 28 2 0
- 27 29 1 0
- 28 30 1 0
- 29 31 2 0
- 30 32 2 0
- 32 33 1 0
- 33 34 1 0
- 33 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 37 39 1 0
- 7 13 1 0
- 9 10 1 0
- 16 19 1 0
- 18 20 1 0
- 31 32 1 0
- 1 40 1 0
- 2 41 1 0
- 3 42 1 0
- 4 43 1 0
- 4 44 1 0
- 6 45 1 0
- 6 46 1 0
- 8 47 1 0
- 8 48 1 0
- 9 49 1 0
- 9 50 1 0
- 10 51 1 0
- 11 52 1 0
- 11 53 1 0
- 12 54 1 0
- 12 55 1 0
- 12 56 1 0
- 13 57 1 0
- 13 58 1 0
- 14 59 1 0
- 15 60 1 0
- 15 61 1 0
- 15 62 1 0
- 16 63 1 0
- 16 64 1 0
- 17 65 1 0
- 17 66 1 0
- 18 67 1 0
- 18 68 1 0
- 20 69 1 0
- 24 70 1 0
- 24 71 1 0
- 28 72 1 0
- 29 73 1 0
- 30 74 1 0
- 31 75 1 0
- 34 76 1 0
- 34 77 1 0
- 35 78 1 0
- 35 79 1 0
- 36 80 1 0
- 36 81 1 0
- 37 82 1 0
- 37 83 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13088-34-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 1.0467 0.0399 0.0028 C 0 0 0
- 2.1901 -1.2663 0.0018 Cl 0 0 0
- 1.6062 1.6833 -0.0025 Cl 0 0 0
- -0.2772 -0.2222 0.0020 C 0 0 0
- -1.2728 0.7000 0.0025 O 0 0 0
- -0.8711 -1.5078 -0.0058 C 0 0 0
- -2.4576 0.0619 0.0014 C 0 0 0
- -2.2171 -1.3276 -0.0038 C 0 0 0
- -3.5531 0.5948 0.0016 O 0 0 0
- -0.3806 -2.4004 0.0000 H 0 0 0
- -2.9234 -2.0615 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 4 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 7 8 1 0
- 6 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10353-98-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.9594 0.0340 -0.0018 C 0 0 0
- -0.4124 0.5393 -0.0009 C 0 0 0
- 1.8652 1.1816 -0.0002 C 0 0 0
- 1.3094 -1.2071 0.0011 C 0 0 0
- -1.3702 -0.3613 -0.0015 C 0 0 0
- -0.2826 2.0014 0.0009 C 0 0 0
- 0.9907 2.3604 0.0013 C 0 0 0
- 3.1524 0.9140 -0.0002 C 0 0 0
- 0.2377 -2.2152 0.0058 C 0 0 0
- 2.7498 -1.5069 0.0000 C 0 0 0
- -1.0179 -1.7960 -0.0030 C 0 0 0
- -2.6695 0.0232 -0.0003 N 0 3 0
- 3.6015 -0.4935 -0.0018 C 0 0 0
- -3.5528 -0.8155 -0.0008 O 0 0 0
- -2.9542 1.2075 0.0013 O 0 5 0
- -1.0649 2.6501 0.0000 H 0 0 0
- 1.3189 3.3222 0.0000 H 0 0 0
- 3.8327 1.6689 0.0000 H 0 0 0
- 0.4558 -3.2078 0.0000 H 0 0 0
- 3.0823 -2.4672 0.0000 H 0 0 0
- -1.7652 -2.4847 0.0000 H 0 0 0
- 4.5985 -0.6904 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 8 13 1 0
- 12 14 2 0
- 12 15 1 0
- 6 7 2 0
- 9 11 2 0
- 10 13 2 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77314-23-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.0859 -0.1779 0.0027 C 0 0 0
- -1.3001 -0.4319 0.0018 C 0 0 0
- 0.5383 1.1314 0.0008 C 0 0 0
- 1.1981 -1.0127 -0.0005 N 0 0 0
- -2.2103 0.6542 -0.0009 C 0 0 0
- -1.8036 -1.7441 0.0031 C 0 0 0
- 1.9343 1.0946 0.0022 N 0 0 0
- -0.3714 2.1935 -0.0014 C 0 0 0
- 2.3265 -0.2246 0.0023 C 0 0 0
- -1.7127 1.9693 -0.0022 C 0 0 0
- -3.5266 0.4177 -0.0026 N 0 0 0
- -3.1596 -1.9155 0.0018 C 0 0 0
- 2.8257 2.2572 0.0005 C 0 0 0
- 3.5575 -0.6547 0.0007 N 0 0 0
- -3.9998 -0.8050 -0.0018 C 0 0 0
- 3.8214 -2.0458 -0.0049 O 0 0 0
- 1.1802 -2.0562 0.0000 H 0 0 0
- -1.1595 -2.5653 0.0000 H 0 0 0
- -0.0150 3.1745 0.0000 H 0 0 0
- -2.3749 2.7760 0.0000 H 0 0 0
- -3.5648 -2.8773 0.0000 H 0 0 0
- 3.6540 1.6222 0.0000 H 0 0 0
- 3.4607 3.0855 0.0000 H 0 0 0
- 1.9974 2.8922 0.0000 H 0 0 0
- -5.0334 -0.9498 0.0000 H 0 0 0
- 4.0159 -3.0712 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 2 0
- 11 15 2 0
- 14 16 1 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-520-18-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -2.0454 0.4529 0.0095 C 0 0 0
- -1.4706 -0.8295 -0.0269 C 0 0 0
- -1.1532 1.6226 0.0449 C 0 0 0
- -3.4388 0.6011 0.0175 C 0 0 0
- -0.1278 -0.9636 -0.0293 O 0 0 0
- -2.2945 -1.9445 -0.0605 C 0 0 0
- 0.2445 1.3782 0.0399 C 0 0 0
- -1.5982 2.7589 0.0768 O 0 0 0
- -4.2431 -0.5225 -0.0106 C 0 0 0
- -3.9944 1.8388 0.0531 O 0 0 0
- 0.7002 0.0946 0.0023 C 0 0 0
- -3.6717 -1.7900 -0.0580 C 0 0 0
- 1.1228 2.4173 0.0711 O 0 0 0
- 2.1556 -0.1422 -0.0023 C 0 0 0
- -4.4711 -2.8867 -0.0914 O 0 0 0
- 2.7996 -0.5713 1.1616 C 0 0 0
- 2.8945 0.0561 -1.1725 C 0 0 0
- 4.1595 -0.7918 1.1525 C 0 0 0
- 4.2536 -0.1668 -1.1723 C 0 0 0
- 4.8906 -0.5883 -0.0113 C 0 0 0
- 6.2308 -0.8069 -0.0157 O 0 0 0
- -1.8860 -2.8808 0.0000 H 0 0 0
- -5.2597 -0.4217 0.0000 H 0 0 0
- -4.4128 2.7708 0.0000 H 0 0 0
- 1.7823 3.1975 0.0000 H 0 0 0
- -5.0728 -3.7122 0.0000 H 0 0 0
- 2.4261 -1.5222 0.0000 H 0 0 0
- 2.8436 1.0764 0.0000 H 0 0 0
- 4.2160 -1.8118 0.0000 H 0 0 0
- 4.6264 0.7843 0.0000 H 0 0 0
- 7.2390 -0.9714 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 20 21 1 0
- 7 11 2 0
- 9 12 1 0
- 19 20 1 0
- 6 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
- 21 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28164-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 0.5286 -0.0417 0.4131 C 0 0 0
- -0.9308 0.1728 0.4221 C 0 0 0
- 1.3894 0.7982 -0.4536 C 0 0 0
- 1.0722 -1.0022 1.2024 C 0 0 0
- -1.7674 -0.6366 -0.3744 C 0 0 0
- -1.4836 1.1716 1.2225 C 0 0 0
- 2.8511 0.5813 -0.4608 C 0 0 0
- 0.8962 1.6592 -1.1539 O 0 0 0
- 2.5210 -1.2358 1.2120 C 0 0 0
- -3.1461 -0.4242 -0.3569 C 0 0 0
- -1.2370 -1.6108 -1.1497 O 0 0 0
- -2.8508 1.3799 1.2380 C 0 0 0
- -0.5858 2.0294 2.0764 C 0 0 0
- 3.4052 -0.4213 0.3570 C 0 0 0
- 3.6804 1.3550 -1.2636 C 0 0 0
- 2.9929 -2.1009 1.9253 O 0 0 0
- -3.6882 0.5926 0.4530 C 0 0 0
- -4.0474 -1.2528 -1.1785 C 0 0 0
- 4.7858 -0.6308 0.3536 C 0 0 0
- 5.0510 1.1373 -1.2570 C 0 0 0
- -5.1508 0.8066 0.4613 C 0 0 0
- -5.5015 -1.0094 -1.1439 C 0 0 0
- -3.5932 -2.1337 -1.8825 O 0 0 0
- 5.6007 0.1559 -0.4600 C 0 0 0
- 5.3310 -1.5932 1.1373 O 0 0 0
- 5.9456 1.9791 -2.1300 C 0 0 0
- -6.0192 -0.0424 -0.3739 C 0 0 0
- -5.6356 1.6791 1.1545 O 0 0 0
- 0.5736 -1.7189 0.0000 H 0 0 0
- -0.8195 -2.3776 0.0000 H 0 0 0
- -3.1102 2.2135 0.0000 H 0 0 0
- 0.0173 1.3982 0.0000 H 0 0 0
- 0.0454 2.6325 0.0000 H 0 0 0
- -1.1889 2.6606 0.0000 H 0 0 0
- 3.4252 2.1899 0.0000 H 0 0 0
- -6.0106 -1.7187 0.0000 H 0 0 0
- 6.4644 0.0287 0.0000 H 0 0 0
- 5.7613 -2.3528 0.0000 H 0 0 0
- 6.5439 1.3433 0.0000 H 0 0 0
- 6.5814 2.5774 0.0000 H 0 0 0
- 5.3473 2.6149 0.0000 H 0 0 0
- -6.8821 0.0903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 9 16 2 0
- 10 17 2 0
- 10 18 1 0
- 14 19 1 0
- 15 20 2 0
- 17 21 1 0
- 18 22 1 0
- 18 23 2 0
- 19 24 2 0
- 19 25 1 0
- 20 26 1 0
- 21 27 1 0
- 21 28 2 0
- 9 14 1 0
- 12 17 1 0
- 20 24 1 0
- 22 27 2 0
- 4 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
- 15 35 1 0
- 22 36 1 0
- 24 37 1 0
- 25 38 1 0
- 26 39 1 0
- 26 40 1 0
- 26 41 1 0
- 27 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3296-90-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.0000 0.0000 0.1671 C 0 0 0
- 0.0000 -1.2492 -0.7162 C 0 0 0
- 0.0000 1.2492 -0.7162 C 0 0 0
- -1.2493 0.0000 1.0505 C 0 0 0
- 1.2492 0.0000 1.0505 C 0 0 0
- 0.0000 -2.4160 0.1089 O 0 0 0
- 0.0000 2.4160 0.1089 O 0 0 0
- -2.8544 0.0000 -0.0847 Br 0 0 0
- 2.8544 0.0000 -0.0846 Br 0 0 0
- -0.8114 -0.7807 0.0000 H 0 0 0
- -0.8114 -1.7176 0.0000 H 0 0 0
- -0.8114 1.7176 0.0000 H 0 0 0
- -0.8114 0.7807 0.0000 H 0 0 0
- -0.7808 0.8114 0.0000 H 0 0 0
- -1.7177 0.8114 0.0000 H 0 0 0
- 1.7176 0.8114 0.0000 H 0 0 0
- 0.7807 0.8114 0.0000 H 0 0 0
- 0.0000 -3.3529 0.0000 H 0 0 0
- 0.0000 3.3529 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116208-67-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -1.5825 0.1905 0.0051 C 0 0 0
- -0.8707 -1.0136 0.0075 C 0 0 0
- -0.7342 1.3030 0.0050 C 0 0 0
- -2.9778 0.2732 -0.0024 C 0 0 0
- 0.5609 -0.6503 0.0070 C 0 0 0
- -1.6142 -2.1821 0.0087 C 0 0 0
- 0.6448 0.7741 0.0056 C 0 0 0
- -1.3359 2.5498 0.0032 C 0 0 0
- -3.6980 -0.9366 -0.0071 C 0 0 0
- -3.5497 1.5557 -0.0042 C 0 0 0
- 1.7120 -1.4117 0.0072 C 0 0 0
- -3.0058 -2.1194 0.0062 C 0 0 0
- 1.8772 1.3954 0.0056 C 0 0 0
- -2.7263 2.6484 0.0002 C 0 0 0
- -5.0490 -0.9315 -0.0143 F 0 0 0
- 2.9683 -0.7881 0.0014 C 0 0 0
- 3.0518 0.6287 0.0018 C 0 0 0
- 4.1527 -1.5469 -0.0035 C 0 0 0
- 4.3168 1.2436 -0.0043 C 0 0 0
- 5.3584 -0.9158 -0.0109 C 0 0 0
- 5.4402 0.4757 -0.0094 C 0 0 0
- -1.1305 -3.1122 0.0000 H 0 0 0
- -0.7475 3.4174 0.0000 H 0 0 0
- -4.5913 1.6741 0.0000 H 0 0 0
- 1.6472 -2.4580 0.0000 H 0 0 0
- -3.5476 -3.0168 0.0000 H 0 0 0
- 1.9355 2.4421 0.0000 H 0 0 0
- -3.1606 3.6025 0.0000 H 0 0 0
- 4.1068 -2.5942 0.0000 H 0 0 0
- 4.3939 2.2891 0.0000 H 0 0 0
- 6.2389 -1.4847 0.0000 H 0 0 0
- 6.3813 0.9376 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 16 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 16 17 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4823-47-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 2.7285 -0.0530 -0.0010 C 0 0 0
- 1.5621 0.6227 0.0006 O 0 0 0
- 4.0022 0.6799 0.0003 C 0 0 0
- 2.7267 -1.2683 0.0014 O 0 0 0
- 0.3036 -0.1015 -0.0007 C 0 0 0
- 5.1538 0.0128 -0.0013 C 0 0 0
- -0.8579 0.8945 0.0016 C 0 0 0
- -2.5619 -0.0861 -0.0002 Br 0 0 0
- 4.0038 1.7689 0.0000 H 0 0 0
- -0.4942 -0.8428 0.0000 H 0 0 0
- 0.9499 -0.9779 0.0000 H 0 0 0
- 5.1522 -1.0762 0.0000 H 0 0 0
- 6.0977 0.5559 0.0000 H 0 0 0
- -0.0601 1.6358 0.0000 H 0 0 0
- -1.5043 1.7709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102791-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- -0.0583 -0.2687 -0.0700 C 0 0 0
- -1.2587 0.5581 -0.0588 C 0 0 0
- 1.2014 0.3643 -0.0254 C 0 0 0
- -0.1791 -1.6647 -0.1403 C 0 0 0
- -2.5180 -0.0788 -0.0120 C 0 0 0
- -1.1456 1.9591 -0.0878 C 0 0 0
- 2.3453 -0.4408 0.0246 C 0 0 0
- 1.2618 1.7775 -0.0392 C 0 0 0
- -1.4075 -2.2222 -0.2915 O 0 0 0
- 0.9714 -2.4273 -0.0787 C 0 0 0
- -2.5201 -1.5488 0.0993 C 0 0 0
- -3.6622 0.6997 -0.0562 C 0 0 0
- 0.1445 2.5400 -0.0757 C 0 0 0
- -2.3240 2.7156 -0.1255 C 0 0 0
- 2.2136 -1.8122 0.0080 C 0 0 0
- 3.6885 0.1774 0.0942 N 0 3 0
- -3.4906 -2.1416 0.5294 O 0 0 0
- -3.5498 2.0832 -0.1167 C 0 0 0
- 4.5864 -0.2349 -0.6181 O 0 0 0
- 3.8959 1.0985 0.8638 O 0 5 0
- 2.1925 2.2440 0.0000 H 0 0 0
- 0.9061 -3.4663 0.0000 H 0 0 0
- -4.6013 0.2505 0.0000 H 0 0 0
- 0.2359 3.5770 0.0000 H 0 0 0
- -2.2749 3.7555 0.0000 H 0 0 0
- 3.0708 -2.4029 0.0000 H 0 0 0
- -4.4161 2.6605 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 12 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 13 2 0
- 9 11 1 0
- 10 15 2 0
- 14 18 2 0
- 8 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-506-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 11 1 V2000
- -4.4880 0.0459 0.0157 C 0 0 0
- -5.2668 -0.9407 0.4953 O 0 0 0
- -3.3845 -0.2527 -0.6936 O 0 0 0
- -4.7838 1.2060 0.2188 O 0 0 0
- 5.2715 -0.1021 -0.2391 N 0 0 0
- 13.9192 0.0485 0.2022 N 0 0 0
- -5.8231 -1.6455 0.0000 H 0 0 0
- -2.5178 -0.4872 0.0000 H 0 0 0
- 4.8225 0.6755 0.0000 H 0 0 0
- 4.8225 -0.8797 0.0000 H 0 0 0
- 6.1694 -0.1021 0.0000 H 0 0 0
- 13.4702 0.8261 0.0000 H 0 0 0
- 13.4702 -0.7291 0.0000 H 0 0 0
- 14.8171 0.0485 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89-25-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.5236 -0.0094 -0.0010 N 0 0 0
- -0.8690 0.1315 0.0202 C 0 0 0
- 1.4232 1.0338 0.1961 N 0 0 0
- 1.1696 -1.1758 -0.2094 C 0 0 0
- -1.4648 1.2430 -0.5612 C 0 0 0
- -1.6582 -0.8430 0.6176 C 0 0 0
- 2.6424 0.6639 0.1318 C 0 0 0
- 2.6438 -0.8256 -0.1417 C 0 0 0
- 0.6782 -2.2669 -0.4074 O 0 0 0
- -2.8392 1.3788 -0.5390 C 0 0 0
- -3.0316 -0.7013 0.6364 C 0 0 0
- 3.8543 1.5439 0.2994 C 0 0 0
- -3.6216 0.4096 0.0611 C 0 0 0
- -0.9004 2.0885 0.0000 H 0 0 0
- -1.2683 -1.7818 0.0000 H 0 0 0
- 2.8015 -1.8299 0.0000 H 0 0 0
- 3.6573 -0.7460 0.0000 H 0 0 0
- -3.2319 2.3165 0.0000 H 0 0 0
- -3.5995 -1.5445 0.0000 H 0 0 0
- 4.4516 0.7213 0.0000 H 0 0 0
- 4.6769 2.1412 0.0000 H 0 0 0
- 3.2570 2.3665 0.0000 H 0 0 0
- -4.6335 0.5065 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 2 0
- 7 8 1 0
- 11 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19727-83-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.2427 0.5674 0.0029 C 0 0 0
- -1.6282 -0.7639 0.0016 C 0 0 0
- 0.1190 0.8786 0.0023 C 0 0 0
- -2.3455 1.4229 -0.0008 N 0 0 0
- -0.6794 -1.7683 -0.0001 C 0 0 0
- -3.1391 -0.8269 0.0019 C 0 0 0
- 1.0617 -0.1268 0.0003 C 0 0 0
- -3.5867 0.6440 -0.0051 C 0 0 0
- 0.6663 -1.4521 -0.0004 C 0 0 0
- 2.5022 0.2129 -0.0004 N 0 3 0
- 3.3371 -0.6739 -0.0022 O 0 0 0
- 2.8528 1.3794 0.0007 O 0 5 0
- 0.4227 1.8728 0.0000 H 0 0 0
- -2.2939 2.4611 0.0000 H 0 0 0
- -0.9782 -2.7639 0.0000 H 0 0 0
- -4.1556 -1.0444 0.0000 H 0 0 0
- -3.0082 -1.8581 0.0000 H 0 0 0
- -4.0594 1.5698 0.0000 H 0 0 0
- -4.5506 0.2548 0.0000 H 0 0 0
- 1.3793 -2.2085 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92279-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- 2.0543 0.7070 -0.5688 C 0 0 0
- 1.3059 -0.4654 -0.7991 C 0 0 0
- 3.2860 0.6352 0.1298 C 0 0 0
- 1.5899 1.9519 -1.0332 C 0 0 0
- 1.8267 -1.6792 -0.3149 C 0 0 0
- 0.1046 -0.4237 -1.4753 N 0 0 0
- 3.7613 -0.5257 0.5797 N 0 0 0
- 4.0171 1.8279 0.3473 C 0 0 0
- 2.3209 3.0756 -0.8047 C 0 0 0
- 3.1064 -1.6685 0.3973 C 0 0 0
- 1.1539 -2.8989 -0.4960 C 0 0 0
- -0.9427 -0.2291 -0.4638 C 0 0 0
- 3.5305 3.0146 -0.1135 C 0 0 0
- 5.2006 1.7896 1.0141 O 0 0 0
- 3.6179 -2.8908 0.8776 C 0 0 0
- 1.7024 -4.0443 -0.0078 C 0 0 0
- -2.3095 -0.1733 -1.1490 C 0 0 0
- 5.6865 3.1323 1.0707 C 0 0 0
- 2.9191 -4.0381 0.6710 C 0 0 0
- -3.4003 0.0294 -0.0955 C 0 0 0
- -4.7126 0.0830 -0.7534 N 0 0 0
- -5.7094 0.2779 0.3080 C 0 0 0
- -7.1071 0.3431 -0.3108 C 0 0 0
- -8.3305 0.5823 0.9919 Cl 0 0 0
- 0.6223 2.0586 0.0000 H 0 0 0
- -0.0015 -1.3914 0.0000 H 0 0 0
- 1.8784 3.9427 0.0000 H 0 0 0
- 0.1808 -2.8709 0.0000 H 0 0 0
- -0.3461 0.5401 0.0000 H 0 0 0
- -1.3531 0.6537 0.0000 H 0 0 0
- 4.0930 3.8091 0.0000 H 0 0 0
- 4.5886 -2.9641 0.0000 H 0 0 0
- 1.1857 -4.8693 0.0000 H 0 0 0
- -2.9061 -0.9425 0.0000 H 0 0 0
- -1.8991 -1.0561 0.0000 H 0 0 0
- 6.6019 2.8010 0.0000 H 0 0 0
- 6.0178 4.0477 0.0000 H 0 0 0
- 4.7711 3.4636 0.0000 H 0 0 0
- 3.3981 -4.8856 0.0000 H 0 0 0
- -2.8037 0.7986 0.0000 H 0 0 0
- -3.8107 0.9122 0.0000 H 0 0 0
- -4.8262 -0.8838 0.0000 H 0 0 0
- -5.1065 1.0422 0.0000 H 0 0 0
- -6.1136 1.1635 0.0000 H 0 0 0
- -7.7100 -0.4212 0.0000 H 0 0 0
- -6.7029 -0.5425 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 7 10 2 0
- 9 13 1 0
- 16 19 1 0
- 4 25 1 0
- 6 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.0996 0.1984 0.0035 C 0 0 0
- 0.8434 -0.8108 0.0026 C 0 0 0
- 0.3016 1.5216 0.0021 C 0 0 0
- -1.5674 -0.1430 -0.0002 C 0 0 0
- 2.1960 -0.4953 0.0001 C 0 0 0
- 1.6477 1.8393 -0.0003 C 0 0 0
- -2.3204 1.0361 0.0016 F 0 0 0
- -1.8701 -0.8879 -1.1450 F 0 0 0
- -1.8744 -0.8941 1.1395 F 0 0 0
- 2.5957 0.8353 -0.0013 C 0 0 0
- 3.1522 -1.5134 -0.0004 N 0 0 0
- 0.5417 -1.8033 0.0000 H 0 0 0
- -0.4086 2.2777 0.0000 H 0 0 0
- 1.9455 2.8330 0.0000 H 0 0 0
- 3.6051 1.0743 0.0000 H 0 0 0
- 2.8525 -2.5065 0.0000 H 0 0 0
- 4.1621 -1.2765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 10 2 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-34433-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 40 1 V2000
- -6.2777 0.6658 -0.4849 N 0 3 0
- -7.3567 1.4875 -0.4202 C 0 0 0
- -5.1200 0.9261 0.3743 C 0 0 0
- -6.2580 -0.3838 -1.3195 C 0 0 0
- -8.4608 1.2517 -1.2295 C 0 0 0
- -7.3562 2.6299 0.5083 C 0 0 0
- -4.1159 -0.0616 0.1328 O 0 0 0
- -7.3227 -0.6554 -2.1277 C 0 0 0
- -8.4430 0.1696 -2.0988 C 0 0 0
- -8.3844 3.4138 0.5706 N 0 0 0
- -3.0189 0.2450 0.9957 C 0 0 0
- -8.3840 4.5126 1.4637 O 0 0 0
- -1.9504 -0.7369 0.7949 N 0 3 0
- -0.7662 -0.3191 0.3937 C 0 0 0
- -2.2014 -2.0100 1.0261 C 0 0 0
- 0.2697 -1.2103 0.1924 C 0 0 0
- -1.2229 -2.9694 0.8500 C 0 0 0
- 0.0467 -2.5718 0.4205 C 0 0 0
- 1.1273 -3.5648 0.2174 C 0 0 0
- 0.8918 -4.8725 0.4428 N 0 0 0
- 2.2258 -3.2001 -0.1524 O 0 0 0
- 10.8050 -0.1227 -0.0660 Cl 0 0 0
- 19.0452 2.5257 -0.3575 Cl 0 0 0
- -4.3198 1.4769 0.0000 H 0 0 0
- -5.5090 1.8163 0.0000 H 0 0 0
- -5.4853 -0.9726 0.0000 H 0 0 0
- -9.2211 1.8565 0.0000 H 0 0 0
- -6.4855 3.0607 0.0000 H 0 0 0
- -7.5085 -1.6089 0.0000 H 0 0 0
- -9.3064 -0.2758 0.0000 H 0 0 0
- -2.2412 0.8272 0.0000 H 0 0 0
- -3.4481 1.1165 0.0000 H 0 0 0
- -8.3836 5.4841 0.0000 H 0 0 0
- -0.5869 0.6357 0.0000 H 0 0 0
- -3.1294 -2.2974 0.0000 H 0 0 0
- 1.1826 -0.8781 0.0000 H 0 0 0
- -1.4501 -3.9139 0.0000 H 0 0 0
- -0.0223 -5.2014 0.0000 H 0 0 0
- 1.6337 -5.4996 0.0000 H 0 0 0
- 11.7765 -0.1227 0.0000 H 0 0 0
- 20.0167 2.5257 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 8 9 2 0
- 17 18 2 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 8 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 20 38 1 0
- 20 39 1 0
- 22 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.6985 0.0612 -0.4585 C 0 0 0
- -0.5369 -0.6142 0.0788 C 0 0 0
- 1.7696 0.1585 0.2894 C 0 0 0
- -1.6554 0.3382 0.0774 N 0 0 0
- 0.3910 1.0714 0.0000 H 0 0 0
- -1.3140 -1.3291 0.0000 H 0 0 0
- 0.0784 -1.4724 0.0000 H 0 0 0
- 2.3782 -0.7045 0.0000 H 0 0 0
- 2.2127 1.1170 0.0000 H 0 0 0
- -1.4645 1.3768 0.0000 H 0 0 0
- -2.6503 -0.0158 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5709-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -1.0148 0.7188 -0.0024 C 0 0 0
- -0.9870 -0.6860 -0.0009 C 0 0 0
- 0.3043 1.1260 -0.0018 N 0 0 0
- -2.2325 1.3855 0.0009 C 0 0 0
- 0.3196 -1.0557 0.0005 N 0 0 0
- -2.1898 -1.3974 -0.0011 C 0 0 0
- 1.0741 0.0043 0.0000 C 0 0 0
- -3.4065 0.6631 0.0057 C 0 0 0
- -3.3785 -0.7244 -0.0028 C 0 0 0
- 2.5541 -0.0084 0.0004 N 0 3 0
- 3.1540 -1.0684 0.0021 O 0 0 0
- 3.1721 1.0412 -0.0009 O 0 5 0
- 0.6442 2.1024 0.0000 H 0 0 0
- -2.2587 2.4190 0.0000 H 0 0 0
- -2.1800 -2.4312 0.0000 H 0 0 0
- -4.3140 1.1583 0.0000 H 0 0 0
- -4.2663 -1.2541 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 5 7 2 0
- 8 9 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1169-60-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.3941 1.0256 0.0568 C 0 0 0
- -0.5882 0.0138 0.0753 C 0 0 0
- 1.8060 0.6354 0.0018 C 0 0 0
- 0.0134 2.3743 0.0850 C 0 0 0
- -1.9555 0.3791 0.1297 C 0 0 0
- -0.2029 -1.3418 0.0393 C 0 0 0
- 2.1285 -0.7398 -0.0329 C 0 0 0
- 2.8253 1.5894 -0.0162 C 0 0 0
- -1.3345 2.7135 0.1319 C 0 0 0
- 0.7529 3.5190 0.0751 O 0 0 0
- -2.3076 1.7256 0.1623 C 0 0 0
- -2.9973 -0.6581 0.1521 C 0 0 0
- 1.0976 -1.7041 -0.0128 C 0 0 0
- -1.2464 -2.3917 0.0595 N 0 3 0
- 3.4811 -1.1250 -0.0869 C 0 0 0
- 4.1309 1.1915 -0.0680 C 0 0 0
- -1.4396 4.0762 0.1507 O 0 0 0
- -0.1624 4.5656 -0.2981 C 0 0 0
- -3.9269 -0.7010 -0.8235 O 0 0 0
- -3.0205 -1.4770 1.0502 O 0 0 0
- -1.3795 -3.0992 1.0419 O 0 0 0
- -1.9719 -2.5479 -0.9064 O 0 5 0
- 4.4633 -0.1566 -0.1038 C 0 0 0
- 3.8168 -2.4404 -0.1217 O 0 0 0
- -5.0310 -1.6397 -0.7334 C 0 0 0
- 5.2436 -2.5013 -0.1726 C 0 0 0
- 2.5893 2.6051 0.0000 H 0 0 0
- -3.3151 1.9947 0.0000 H 0 0 0
- 1.3456 -2.7170 0.0000 H 0 0 0
- 4.8879 1.9087 0.0000 H 0 0 0
- 0.6976 5.1553 0.0000 H 0 0 0
- -0.6471 5.4889 0.0000 H 0 0 0
- 5.4668 -0.4401 0.0000 H 0 0 0
- -5.7064 -0.8452 0.0000 H 0 0 0
- -5.8255 -2.3151 0.0000 H 0 0 0
- -4.3556 -2.4342 0.0000 H 0 0 0
- 5.1991 -3.5431 0.0000 H 0 0 0
- 6.2854 -2.5458 0.0000 H 0 0 0
- 5.2881 -1.4595 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 2 0
- 14 21 2 0
- 14 22 1 0
- 15 23 2 0
- 15 24 1 0
- 19 25 1 0
- 24 26 1 0
- 7 13 1 0
- 9 11 1 0
- 16 23 1 0
- 17 18 1 0
- 8 27 1 0
- 11 28 1 0
- 13 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 23 33 1 0
- 25 34 1 0
- 25 35 1 0
- 25 36 1 0
- 26 37 1 0
- 26 38 1 0
- 26 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17526-17-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 0.2074 0.2822 0.2399 C 0 0 0
- 0.5066 -1.0852 0.0800 C 0 0 0
- 1.2841 1.2838 0.1903 C 0 0 0
- -1.1179 0.6818 0.4519 C 0 0 0
- 1.9039 -1.5156 -0.1381 C 0 0 0
- -0.5147 -2.0248 0.1285 C 0 0 0
- 2.6823 0.8554 -0.0277 C 0 0 0
- 1.0240 2.4635 0.3281 O 0 0 0
- -2.1271 -0.2714 0.5030 C 0 0 0
- -1.4152 1.9954 0.6073 O 0 0 0
- 2.9842 -0.5085 -0.1877 C 0 0 0
- 2.1635 -2.6946 -0.2758 O 0 0 0
- -1.8299 -1.6142 0.3347 C 0 0 0
- 3.7055 1.7975 -0.0753 C 0 0 0
- -3.5534 0.1582 0.7311 C 0 0 0
- 4.3034 -0.9034 -0.3931 C 0 0 0
- -2.8248 -2.5360 0.3809 O 0 0 0
- 5.0115 1.3879 -0.2793 C 0 0 0
- -4.1818 0.4107 -0.5272 O 0 0 0
- 5.3083 0.0465 -0.4385 C 0 0 0
- -5.5241 0.8118 -0.2454 C 0 0 0
- -6.2567 1.0989 -1.5576 C 0 0 0
- -0.2877 -3.0373 0.0000 H 0 0 0
- -1.6442 3.0074 0.0000 H 0 0 0
- 3.4789 2.8101 0.0000 H 0 0 0
- -4.3504 -0.5063 0.0000 H 0 0 0
- -3.3460 -0.8585 0.0000 H 0 0 0
- 4.5432 -1.9129 0.0000 H 0 0 0
- -3.5859 -3.2412 0.0000 H 0 0 0
- 5.7761 2.0893 0.0000 H 0 0 0
- 6.3002 -0.2580 0.0000 H 0 0 0
- -6.3168 0.1422 0.0000 H 0 0 0
- -5.3123 -0.2040 0.0000 H 0 0 0
- -5.8781 2.0650 0.0000 H 0 0 0
- -7.2228 1.4775 0.0000 H 0 0 0
- -6.6353 0.1328 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 19 21 1 0
- 21 22 1 0
- 7 11 2 0
- 9 13 1 0
- 18 20 1 0
- 6 23 1 0
- 10 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 20 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13177-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.6109 0.3712 0.0018 C 0 0 0
- -0.1515 -0.8375 0.0010 C 0 0 0
- 0.4769 1.3484 0.0013 C 0 0 0
- -2.0164 0.7585 -0.0026 C 0 0 0
- 1.3174 -0.7527 0.0001 C 0 0 0
- -1.1569 -1.9173 0.0012 C 0 0 0
- 1.6930 0.5211 0.0005 C 0 0 0
- 0.1426 2.6147 0.0014 C 0 0 0
- -2.9109 -0.2005 -0.0075 C 0 0 0
- -2.2921 2.2053 -0.0016 C 0 0 0
- 2.3485 -1.8072 -0.0016 C 0 0 0
- -2.4400 -1.6031 0.0023 C 0 0 0
- 3.1228 0.8670 0.0006 C 0 0 0
- -1.2670 3.0385 0.0020 C 0 0 0
- 3.6244 -1.4935 -0.0022 C 0 0 0
- -3.3572 -2.6005 0.0028 N 0 0 0
- 4.0363 -0.0793 -0.0001 C 0 0 0
- -0.8433 -2.9665 0.0000 H 0 0 0
- 0.9300 3.3758 0.0000 H 0 0 0
- -3.9811 0.0314 0.0000 H 0 0 0
- -3.3208 2.5808 0.0000 H 0 0 0
- 2.0482 -2.8603 0.0000 H 0 0 0
- 3.4284 1.9185 0.0000 H 0 0 0
- -1.4794 4.1128 0.0000 H 0 0 0
- 4.3822 -2.2840 0.0000 H 0 0 0
- -4.4259 -2.3616 0.0000 H 0 0 0
- -3.0298 -3.6455 0.0000 H 0 0 0
- 5.0994 0.1833 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 15 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5598-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.2458 0.1844 -0.0095 P 0 0 0
- -1.3965 -1.1827 -0.0520 O 0 0 0
- -2.0196 0.9995 -1.3794 O 0 0 0
- -3.8096 -0.1603 0.1579 O 0 0 0
- -1.6808 1.2223 1.4314 S 0 0 0
- -0.0858 -0.8310 -0.0300 C 0 0 0
- -2.2534 0.0818 -2.4495 C 0 0 0
- -4.4789 1.0746 0.4207 C 0 0 0
- 0.8892 -1.8166 0.0606 C 0 0 0
- 0.2506 0.4461 -0.1006 N 0 0 0
- 2.2238 -1.4453 0.0817 C 0 0 0
- 0.4411 -3.4916 0.1468 Cl 0 0 0
- 1.5132 0.8321 -0.0829 C 0 0 0
- 2.5362 -0.0946 0.0110 C 0 0 0
- 1.8942 2.5231 -0.1791 Cl 0 0 0
- 4.1923 0.4256 0.0343 Cl 0 0 0
- -3.2606 0.3384 0.0000 H 0 0 0
- -2.5100 -0.9254 0.0000 H 0 0 0
- -1.2462 -0.1748 0.0000 H 0 0 0
- -3.5651 1.5699 0.0000 H 0 0 0
- -4.9742 1.9884 0.0000 H 0 0 0
- -5.3927 0.5793 0.0000 H 0 0 0
- 2.9748 -2.1639 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 2 0
- 11 14 2 0
- 13 15 1 0
- 14 16 1 0
- 13 14 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17070-45-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- 1.1879 -0.3078 0.7250 C 0 0 0
- 1.6680 -1.5444 0.2468 C 0 0 0
- 1.9581 0.8390 0.4618 C 0 0 0
- 0.0004 -0.2250 1.4222 N 0 0 0
- 2.8895 -1.6003 -0.4725 C 0 0 0
- 0.9425 -2.7268 0.4788 C 0 0 0
- 3.2085 0.6977 -0.2879 C 0 0 0
- 1.5602 2.1138 0.8979 C 0 0 0
- -1.0568 0.0073 0.4291 C 0 0 0
- 3.6040 -0.4996 -0.7107 N 0 0 0
- 3.3486 -2.8501 -0.9401 C 0 0 0
- 1.4194 -3.9161 0.0105 C 0 0 0
- 3.9711 1.8542 -0.5451 C 0 0 0
- 2.3414 3.1912 0.6166 C 0 0 0
- -2.4088 0.1099 1.1381 C 0 0 0
- 2.6240 -3.9731 -0.6991 C 0 0 0
- 0.7170 -5.0581 0.2361 O 0 0 0
- 3.5330 3.0613 -0.0961 C 0 0 0
- -3.5100 0.3517 0.1038 C 0 0 0
- 1.4562 -6.1232 -0.3649 C 0 0 0
- 4.4827 4.4781 -0.4194 Cl 0 0 0
- -4.8080 0.4502 0.7845 N 0 0 0
- -5.8156 0.6811 -0.2593 C 0 0 0
- -7.1993 0.7942 0.3837 C 0 0 0
- -8.4359 1.0776 -0.8974 Cl 0 0 0
- -0.1387 -1.1913 0.0000 H 0 0 0
- -0.0303 -2.6444 0.0000 H 0 0 0
- 0.5967 2.2717 0.0000 H 0 0 0
- -0.4331 0.7584 0.0000 H 0 0 0
- -1.4379 0.9061 0.0000 H 0 0 0
- 4.3189 -2.9578 0.0000 H 0 0 0
- 4.9407 1.7398 0.0000 H 0 0 0
- 1.9456 4.0837 0.0000 H 0 0 0
- -3.0325 -0.6412 0.0000 H 0 0 0
- -2.0277 -0.7889 0.0000 H 0 0 0
- 3.0707 -4.8412 0.0000 H 0 0 0
- -2.8863 1.1028 0.0000 H 0 0 0
- -3.8911 1.2505 0.0000 H 0 0 0
- 0.6541 -6.6798 0.0000 H 0 0 0
- 2.0128 -6.9253 0.0000 H 0 0 0
- 2.2583 -5.5666 0.0000 H 0 0 0
- -4.9544 -0.5151 0.0000 H 0 0 0
- -5.1859 1.4272 0.0000 H 0 0 0
- -6.1905 1.5825 0.0000 H 0 0 0
- -7.8290 0.0481 0.0000 H 0 0 0
- -6.8244 -0.1072 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 15 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 7 10 2 0
- 12 16 1 0
- 14 18 1 0
- 4 26 1 0
- 6 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 11 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 24 45 1 0
- 24 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1222-05-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 47 1 V2000
- -0.7930 0.7836 -0.0161 C 0 0 0
- -0.6604 -0.5865 -0.1413 C 0 0 0
- 0.3375 1.5805 0.0453 C 0 0 0
- -2.2598 1.1545 0.0252 C 0 0 0
- 0.6007 -1.1535 -0.2051 C 0 0 0
- -2.0296 -1.2306 -0.1865 C 0 0 0
- 1.5950 1.0118 -0.0188 C 0 0 0
- -3.0043 -0.0804 -0.5252 C 0 0 0
- -2.6951 1.4392 1.4641 C 0 0 0
- -2.5245 2.3729 -0.8615 C 0 0 0
- 1.7303 -0.3568 -0.1448 C 0 0 0
- -2.0782 -2.2982 -1.2814 C 0 0 0
- -2.3710 -1.8478 1.1712 C 0 0 0
- 2.8173 1.8935 0.0485 C 0 0 0
- -4.3085 -0.2771 0.2501 C 0 0 0
- 3.0910 -0.9970 -0.2172 C 0 0 0
- 4.0369 1.0871 -0.4065 C 0 0 0
- 4.0833 -0.1347 0.3316 O 0 0 0
- 3.0760 -2.3158 0.5583 C 0 0 0
- 0.2397 2.6110 0.0000 H 0 0 0
- 0.6998 -2.1838 0.0000 H 0 0 0
- -3.5793 0.7803 0.0000 H 0 0 0
- -2.1285 2.3055 0.0000 H 0 0 0
- -3.5614 2.0058 0.0000 H 0 0 0
- -3.2617 0.5729 0.0000 H 0 0 0
- -1.5130 2.5926 0.0000 H 0 0 0
- -2.7442 3.3844 0.0000 H 0 0 0
- -3.5360 2.1532 0.0000 H 0 0 0
- -3.1122 -2.2511 0.0000 H 0 0 0
- -2.1253 -3.3322 0.0000 H 0 0 0
- -1.0442 -2.3453 0.0000 H 0 0 0
- -3.2768 -1.3468 0.0000 H 0 0 0
- -2.8720 -2.7536 0.0000 H 0 0 0
- -1.4652 -2.3488 0.0000 H 0 0 0
- 3.4879 2.6820 0.0000 H 0 0 0
- 2.1152 2.6541 0.0000 H 0 0 0
- -4.4629 0.7464 0.0000 H 0 0 0
- -5.3320 -0.4315 0.0000 H 0 0 0
- -4.1541 -1.3006 0.0000 H 0 0 0
- 4.0304 -1.4317 0.0000 H 0 0 0
- 5.0572 0.9126 0.0000 H 0 0 0
- 4.4178 2.0496 0.0000 H 0 0 0
- 2.0410 -2.3040 0.0000 H 0 0 0
- 3.0642 -3.3508 0.0000 H 0 0 0
- 4.1110 -2.3276 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 1 0
- 6 8 1 0
- 7 11 1 0
- 17 18 1 0
- 3 20 1 0
- 5 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 19 43 1 0
- 19 44 1 0
- 19 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.6132 -0.2988 -0.0006 S 0 0 0
- -0.1123 0.0578 0.0013 C 0 0 0
- 1.7649 -1.8131 0.0184 O 0 0 0
- 2.0928 0.1213 -1.2705 O 0 0 0
- 2.1024 0.1540 1.2543 O 0 0 0
- -0.5488 1.3758 -0.0011 C 0 0 0
- -1.0307 -0.9738 -0.0006 C 0 0 0
- -1.9088 1.6569 0.0005 C 0 0 0
- 0.3821 2.4215 -0.0045 N 0 0 0
- -2.3904 -0.6927 0.0010 C 0 0 0
- -2.8269 0.6257 0.0044 C 0 0 0
- -3.3213 -1.7384 -0.0013 N 0 0 0
- 1.8687 -2.8494 0.0000 H 0 0 0
- -0.7033 -1.9625 0.0000 H 0 0 0
- -2.2362 2.6456 0.0000 H 0 0 0
- 1.4020 2.2107 0.0000 H 0 0 0
- 0.0547 3.4101 0.0000 H 0 0 0
- -3.8468 0.8365 0.0000 H 0 0 0
- -4.3412 -1.5276 0.0000 H 0 0 0
- -2.9939 -2.7270 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 2 0
- 10 12 1 0
- 10 11 1 0
- 3 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-18-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- -1.4203 0.6074 -0.1405 C 0 0 0
- -2.7303 1.0357 -0.2121 N 0 0 0
- -0.4468 1.4821 0.0940 N 0 0 0
- -1.1324 -0.6803 -0.3005 N 0 0 0
- -3.5495 -0.1542 -0.4784 C 0 0 0
- -3.4338 0.4349 0.9289 C 0 0 0
- 0.8149 1.0695 0.1629 C 0 0 0
- 0.1296 -1.0930 -0.2315 C 0 0 0
- 1.8254 1.9775 0.4063 N 0 0 0
- 1.1034 -0.2176 -0.0031 N 0 0 0
- 0.4284 -2.4301 -0.3972 N 0 0 0
- 3.0819 1.2165 0.4217 C 0 0 0
- 2.6535 2.0225 -0.8062 C 0 0 0
- 1.8861 -2.5563 -0.2660 C 0 0 0
- 0.9486 -2.9091 0.8905 C 0 0 0
- -4.5205 -0.3443 0.0000 H 0 0 0
- -3.0068 -0.9815 0.0000 H 0 0 0
- -3.8251 1.3437 0.0000 H 0 0 0
- -4.4177 0.3299 0.0000 H 0 0 0
- 2.8851 0.2468 0.0000 H 0 0 0
- 4.0611 1.3587 0.0000 H 0 0 0
- 3.5851 2.3560 0.0000 H 0 0 0
- 2.4579 2.9924 0.0000 H 0 0 0
- 2.5494 -3.2905 0.0000 H 0 0 0
- 2.3264 -1.6702 0.0000 H 0 0 0
- 0.1737 -3.5243 0.0000 H 0 0 0
- 1.4364 -3.7700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 11 14 1 0
- 11 15 1 0
- 5 6 1 0
- 8 10 2 0
- 12 13 1 0
- 14 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66552-77-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -0.6583 0.7334 -0.0036 C 0 0 0
- -0.6584 -0.7333 -0.0021 C 0 0 0
- 0.5458 1.4346 -0.0031 C 0 0 0
- -1.8965 1.4115 0.0003 C 0 0 0
- 0.5458 -1.4345 -0.0001 C 0 0 0
- -1.8965 -1.4115 -0.0022 C 0 0 0
- 1.7503 0.7333 -0.0012 C 0 0 0
- 0.5458 2.9416 -0.0052 C 0 0 0
- -3.0510 0.6977 0.0054 C 0 0 0
- 1.7503 -0.7332 0.0003 C 0 0 0
- 0.5458 -2.9415 0.0019 C 0 0 0
- -3.0510 -0.6977 -0.0036 C 0 0 0
- 2.9884 1.4114 0.0004 C 0 0 0
- -4.3673 1.4314 0.0095 C 0 0 0
- 2.9882 -1.4114 0.0019 C 0 0 0
- -4.3673 -1.4315 -0.0037 C 0 0 0
- 4.1430 0.6976 0.0033 C 0 0 0
- 4.1429 -0.6978 0.0018 C 0 0 0
- -1.9242 2.4637 0.0000 H 0 0 0
- -1.9242 -2.4637 0.0000 H 0 0 0
- 1.5984 2.9416 0.0000 H 0 0 0
- 0.5458 3.9942 0.0000 H 0 0 0
- -0.5068 2.9416 0.0000 H 0 0 0
- -0.5068 -2.9415 0.0000 H 0 0 0
- 0.5458 -3.9941 0.0000 H 0 0 0
- 1.5984 -2.9415 0.0000 H 0 0 0
- 3.0161 2.4636 0.0000 H 0 0 0
- -3.8548 2.3508 0.0000 H 0 0 0
- -5.2867 1.9439 0.0000 H 0 0 0
- -4.8798 0.5120 0.0000 H 0 0 0
- 3.0157 -2.4636 0.0000 H 0 0 0
- -4.8798 -0.5121 0.0000 H 0 0 0
- -5.2867 -1.9440 0.0000 H 0 0 0
- -3.8548 -2.3509 0.0000 H 0 0 0
- 5.0624 1.2101 0.0000 H 0 0 0
- 5.0622 -1.2104 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 15 18 2 0
- 7 10 2 0
- 9 12 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4188 -0.4013 0.2668 C 0 0 0
- 0.0642 0.8827 0.0614 C 0 0 0
- 0.4445 -1.4789 0.2182 C 0 0 0
- -1.8829 -0.6201 0.5489 C 0 0 0
- 1.4138 1.0814 -0.1925 C 0 0 0
- -0.7831 1.9442 0.1082 O 0 0 0
- 1.7887 -1.2783 -0.0349 C 0 0 0
- -2.6390 -0.7766 -0.7720 C 0 0 0
- 2.2727 0.0008 -0.2401 C 0 0 0
- 0.0701 -2.4338 0.0000 H 0 0 0
- -1.5248 0.3411 0.0000 H 0 0 0
- -2.5508 0.1583 0.0000 H 0 0 0
- 1.7909 2.0353 0.0000 H 0 0 0
- -1.4230 2.7458 0.0000 H 0 0 0
- 2.4325 -2.0768 0.0000 H 0 0 0
- -2.8469 0.2278 0.0000 H 0 0 0
- -3.6434 -0.9845 0.0000 H 0 0 0
- -2.4311 -1.7810 0.0000 H 0 0 0
- 3.2861 0.1591 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.5667 -0.5438 0.0000 C 0 0 0
- -0.6456 0.3515 0.0000 C 0 0 0
- 1.8338 0.3136 0.0000 C 0 0 0
- -1.8760 -0.1849 0.0000 O 0 0 0
- -0.5099 1.5521 0.0000 O 0 0 0
- 3.0646 -0.5953 0.0000 C 0 0 0
- -3.0440 0.6777 0.0000 C 0 0 0
- 4.3318 0.2621 0.0000 C 0 0 0
- -4.2922 -0.1668 0.0000 C 0 0 0
- 5.5625 -0.6469 0.0000 C 0 0 0
- -4.1989 -1.4735 0.0000 C 0 0 0
- -0.2032 -1.3713 0.0000 H 0 0 0
- 1.3019 -1.4023 0.0000 H 0 0 0
- 2.6037 1.1411 0.0000 H 0 0 0
- 1.0986 1.1721 0.0000 H 0 0 0
- 2.2947 -1.4228 0.0000 H 0 0 0
- 3.7998 -1.4538 0.0000 H 0 0 0
- -2.2740 1.5052 0.0000 H 0 0 0
- -3.7791 1.5363 0.0000 H 0 0 0
- 5.1018 1.0896 0.0000 H 0 0 0
- 3.5967 1.1207 0.0000 H 0 0 0
- -5.3088 0.3272 0.0000 H 0 0 0
- 4.8910 -1.5561 0.0000 H 0 0 0
- 6.4717 -1.3184 0.0000 H 0 0 0
- 6.2340 0.2623 0.0000 H 0 0 0
- -5.1350 -2.1069 0.0000 H 0 0 0
- -3.1823 -1.9675 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 1 12 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24400-01-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- 1.2824 0.7564 -0.1141 C 0 0 0
- 0.5401 -0.3825 -0.4841 C 0 0 0
- 2.6075 0.5982 0.3709 C 0 0 0
- 0.7320 2.0449 -0.2239 C 0 0 0
- 1.1597 -1.6412 -0.3521 C 0 0 0
- -0.7489 -0.2693 -0.9586 N 0 0 0
- 3.1532 -0.6118 0.4785 N 0 0 0
- 3.3396 1.7460 0.7378 C 0 0 0
- 1.4720 3.1270 0.1403 C 0 0 0
- -0.6466 2.2239 -0.7330 N 0 3 0
- 2.4889 -1.7160 0.1411 C 0 0 0
- 0.4808 -2.8211 -0.7011 C 0 0 0
- -1.6410 -0.4614 0.1926 C 0 0 0
- 2.7719 2.9755 0.6230 C 0 0 0
- 4.7480 1.6098 1.2564 C 0 0 0
- -0.8915 2.0271 -1.9098 O 0 0 0
- -1.5358 2.5678 0.0249 O 0 5 0
- 3.0975 -2.9814 0.2684 C 0 0 0
- 1.1035 -4.0230 -0.5630 C 0 0 0
- -3.0927 -0.5035 -0.2887 C 0 0 0
- 2.4096 -4.1008 -0.0796 C 0 0 0
- -4.0218 -0.7036 0.9104 C 0 0 0
- -5.4157 -0.7440 0.4483 N 0 0 0
- -6.2505 -0.9371 1.6416 C 0 0 0
- -5.7267 0.5938 -0.0726 C 0 0 0
- -0.8112 0.7296 0.0000 H 0 0 0
- 1.0571 4.0378 0.0000 H 0 0 0
- -0.5198 -2.7990 0.0000 H 0 0 0
- -2.0615 -1.3697 0.0000 H 0 0 0
- -1.0158 -1.2430 0.0000 H 0 0 0
- 3.3592 3.7859 0.0000 H 0 0 0
- 4.6517 0.6136 0.0000 H 0 0 0
- 5.7442 1.5135 0.0000 H 0 0 0
- 4.8443 2.6060 0.0000 H 0 0 0
- 4.0971 -3.0328 0.0000 H 0 0 0
- 0.5582 -4.8623 0.0000 H 0 0 0
- -2.6722 0.4048 0.0000 H 0 0 0
- -3.7179 0.2781 0.0000 H 0 0 0
- 2.8719 -4.9885 0.0000 H 0 0 0
- -4.4423 -1.6119 0.0000 H 0 0 0
- -3.3966 -1.4852 0.0000 H 0 0 0
- -6.4761 0.0380 0.0000 H 0 0 0
- -7.2256 -1.1627 0.0000 H 0 0 0
- -6.0249 -1.9122 0.0000 H 0 0 0
- -4.7518 0.8204 0.0000 H 0 0 0
- -5.9533 1.5687 0.0000 H 0 0 0
- -6.7016 0.3672 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 18 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 14 1 0
- 19 21 1 0
- 6 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 15 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
- 25 45 1 0
- 25 46 1 0
- 25 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5679-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.8974 -1.2267 0.1318 C 0 0 0
- -2.3885 0.0445 -0.1427 C 0 0 0
- -0.5236 -1.4646 0.1121 N 0 0 0
- -2.7794 -2.2590 0.4317 C 0 0 0
- -3.7496 0.2763 -0.1217 C 0 0 0
- 0.3015 -0.4990 0.3376 N 0 3 0
- -4.1385 -2.0181 0.4558 C 0 0 0
- -4.6239 -0.7543 0.1714 C 0 0 0
- -4.2735 1.6295 -0.4138 N 0 3 0
- 1.6137 -0.6541 0.0615 C 0 0 0
- -0.1034 0.5527 0.7997 O 0 5 0
- -6.1086 -0.4971 0.1931 C 0 0 0
- -4.1686 2.0943 -1.5348 O 0 0 0
- -4.8095 2.2782 0.4667 O 0 5 0
- 2.5150 0.3931 0.3050 C 0 0 0
- 2.0860 -1.8660 -0.4655 C 0 0 0
- 3.8523 0.2251 0.0199 C 0 0 0
- 3.4266 -2.0145 -0.7440 C 0 0 0
- 4.3079 -0.9728 -0.5050 C 0 0 0
- 4.8055 1.3283 0.2758 N 0 3 0
- 5.7729 -1.1461 -0.8128 C 0 0 0
- 5.0596 1.6604 1.4198 O 0 0 0
- 5.3356 1.9039 -0.6575 O 0 5 0
- -1.7463 0.8299 0.0000 H 0 0 0
- -2.4371 -3.2140 0.0000 H 0 0 0
- -4.7841 -2.8007 0.0000 H 0 0 0
- -5.9354 0.5025 0.0000 H 0 0 0
- -7.1082 -0.3239 0.0000 H 0 0 0
- -6.2818 -1.4967 0.0000 H 0 0 0
- 2.1504 1.3398 0.0000 H 0 0 0
- 1.4682 -2.6707 0.0000 H 0 0 0
- 3.8021 -2.9569 0.0000 H 0 0 0
- 5.6537 -2.1536 0.0000 H 0 0 0
- 6.7804 -1.2653 0.0000 H 0 0 0
- 5.8921 -0.1386 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 2 0
- 10 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 19 21 1 0
- 20 22 2 0
- 20 23 1 0
- 7 8 1 0
- 18 19 1 0
- 2 24 1 0
- 4 25 1 0
- 7 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2517-98-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 1.3108 -0.3097 0.0620 C 0 0 0
- 0.1551 0.5360 0.3658 C 0 0 0
- 2.6369 0.3178 -0.0337 C 0 0 0
- 1.1539 -1.6728 -0.1249 C 0 0 0
- -1.1134 -0.0243 0.4641 C 0 0 0
- 0.3530 1.9710 0.5639 C 0 0 0
- 2.7577 1.7086 0.1687 C 0 0 0
- 3.7717 -0.4426 -0.3204 C 0 0 0
- -0.1188 -2.2428 -0.0221 C 0 0 0
- 2.3482 -2.5371 -0.4370 C 0 0 0
- -1.2788 -1.3980 0.2715 C 0 0 0
- -2.3035 0.8455 0.7774 C 0 0 0
- 1.5803 2.5167 0.4698 C 0 0 0
- 4.0232 2.3051 0.0771 C 0 0 0
- 5.0006 0.1722 -0.4033 C 0 0 0
- -0.3156 -3.6259 -0.2061 C 0 0 0
- -2.5501 -2.0004 0.3632 C 0 0 0
- -2.8831 1.3366 -0.4600 O 0 0 0
- 5.1185 1.5419 -0.2047 C 0 0 0
- -1.5669 -4.1450 -0.0986 C 0 0 0
- -2.6728 -3.3396 0.1692 C 0 0 0
- -3.9606 2.1362 -0.4255 C 0 0 0
- -4.5621 2.6460 -1.7098 C 0 0 0
- -4.4484 2.4473 0.6353 O 0 0 0
- -0.4764 2.5946 0.0000 H 0 0 0
- 3.7061 -1.4782 0.0000 H 0 0 0
- 1.7398 -3.3778 0.0000 H 0 0 0
- 3.1889 -3.1455 0.0000 H 0 0 0
- 2.9566 -1.6964 0.0000 H 0 0 0
- -3.2717 0.4720 0.0000 H 0 0 0
- -2.4395 -0.1833 0.0000 H 0 0 0
- 1.6752 3.5501 0.0000 H 0 0 0
- 4.1103 3.3392 0.0000 H 0 0 0
- 5.8592 -0.4106 0.0000 H 0 0 0
- 0.5045 -4.2617 0.0000 H 0 0 0
- -3.4008 -1.4061 0.0000 H 0 0 0
- 6.0582 1.9822 0.0000 H 0 0 0
- -1.6892 -5.1755 0.0000 H 0 0 0
- -3.6182 -3.7675 0.0000 H 0 0 0
- -3.8912 3.4376 0.0000 H 0 0 0
- -5.3537 3.3169 0.0000 H 0 0 0
- -5.2330 1.8544 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 18 22 1 0
- 22 23 1 0
- 22 24 2 0
- 7 13 1 0
- 9 11 2 0
- 15 19 1 0
- 20 21 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1875-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -1.2784 -2.2516 0.0020 O 0 0 0
- -0.8664 -1.1092 0.0029 C 0 0 0
- 0.5553 -0.7047 0.0013 C 0 0 0
- -1.6276 0.0000 -0.0003 N 0 0 0
- 0.5553 0.7048 0.0032 C 0 0 0
- 1.7575 -1.3938 -0.0019 C 0 0 0
- -2.9936 -0.0001 -0.0055 N 0 0 0
- -0.8665 1.1092 0.0019 C 0 0 0
- 1.7575 1.3938 0.0017 C 0 0 0
- 2.9523 -0.6912 -0.0031 C 0 0 0
- -1.2785 2.2516 -0.0001 O 0 0 0
- 2.9523 0.6911 -0.0017 C 0 0 0
- 1.7633 -2.4330 0.0000 H 0 0 0
- -3.5133 0.8999 0.0000 H 0 0 0
- -3.5131 -0.9001 0.0000 H 0 0 0
- 1.7633 2.4330 0.0000 H 0 0 0
- 3.8544 -1.2072 0.0000 H 0 0 0
- 3.8544 1.2071 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 8 2 0
- 12 9 2 0
- 5 8 1 0
- 10 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3351-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.1857 0.4279 0.0021 C 0 0 0
- -0.7361 -0.6361 0.0010 C 0 0 0
- 1.6158 0.1135 0.0014 C 0 0 0
- -0.2682 1.7581 -0.0019 C 0 0 0
- -2.1657 -0.3216 0.0011 C 0 0 0
- -0.2817 -1.9666 -0.0007 C 0 0 0
- 2.0151 -1.2435 -0.0002 C 0 0 0
- 2.5846 1.1204 0.0018 C 0 0 0
- -1.5885 2.0540 -0.0073 C 0 0 0
- -2.5649 1.0355 0.0025 C 0 0 0
- -3.1352 -1.3285 -0.0007 C 0 0 0
- 1.0383 -2.2623 -0.0016 C 0 0 0
- 3.3835 -1.5533 -0.0010 C 0 0 0
- 3.9078 0.7850 0.0006 C 0 0 0
- -3.9338 1.3455 0.0025 C 0 0 0
- -4.4580 -0.9929 -0.0010 C 0 0 0
- 4.3043 -0.5479 -0.0002 C 0 0 0
- 4.9514 1.8722 0.0005 C 0 0 0
- -4.8544 0.3405 0.0011 C 0 0 0
- 0.4346 2.5415 0.0000 H 0 0 0
- -0.9844 -2.7501 0.0000 H 0 0 0
- 2.2955 2.1324 0.0000 H 0 0 0
- -1.8925 3.0616 0.0000 H 0 0 0
- -2.8464 -2.3406 0.0000 H 0 0 0
- 1.3423 -3.2699 0.0000 H 0 0 0
- 3.6979 -2.5577 0.0000 H 0 0 0
- -4.2481 2.3499 0.0000 H 0 0 0
- -5.1870 -1.7520 0.0000 H 0 0 0
- 5.3300 -0.7839 0.0000 H 0 0 0
- 5.7107 1.1434 0.0000 H 0 0 0
- 5.6802 2.6315 0.0000 H 0 0 0
- 4.1921 2.6010 0.0000 H 0 0 0
- -5.8800 0.5767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 2 0
- 14 17 2 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1122-62-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.1852 -0.0079 0.0033 C 0 0 0
- 0.5070 -1.2196 0.0029 C 0 0 0
- 0.4742 1.1459 0.0009 N 0 0 0
- -1.6607 -0.0077 0.0001 C 0 0 0
- 1.8925 -1.2028 0.0001 C 0 0 0
- 1.7880 1.1889 -0.0018 C 0 0 0
- -2.4141 1.2975 0.0004 C 0 0 0
- -2.2669 -1.0574 -0.0029 O 0 0 0
- 2.5392 0.0235 -0.0022 C 0 0 0
- -0.0095 -2.1220 0.0000 H 0 0 0
- 2.4349 -2.0899 0.0000 H 0 0 0
- 2.2707 2.1099 0.0000 H 0 0 0
- -1.5136 1.8173 0.0000 H 0 0 0
- -2.9339 2.1980 0.0000 H 0 0 0
- -3.3146 0.7777 0.0000 H 0 0 0
- 3.5780 0.0689 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117760-92-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.3978 0.9327 0.1052 C 0 0 0
- -1.1053 -0.2904 0.0398 C 0 0 0
- 0.9988 0.9097 0.1624 C 0 0 0
- -1.1077 2.1569 0.1178 C 0 0 0
- -2.5694 -0.2529 -0.0177 C 0 0 0
- -0.4098 -1.5028 0.0314 C 0 0 0
- 1.6672 -0.3074 0.1535 C 0 0 0
- 1.7880 2.1895 0.2342 C 0 0 2
- -2.4545 2.1899 0.0697 C 0 0 0
- -3.2187 1.0021 -0.0068 C 0 0 0
- -3.3268 -1.4245 -0.0821 C 0 0 0
- 0.9520 -1.5105 0.0872 C 0 0 0
- 3.1447 -0.3143 0.2142 C 0 0 0
- 3.1006 2.0331 -0.5314 C 0 0 1
- 2.0678 2.5007 1.6005 O 0 0 0
- -4.6190 1.0470 -0.0614 C 0 0 0
- -4.6893 -1.3471 -0.1339 C 0 0 0
- 1.6805 -2.7990 0.0777 N 0 3 0
- 3.8172 0.7829 -0.1025 C 0 0 0
- 2.8299 1.9698 -1.9331 O 0 0 0
- -5.3317 -0.1144 -0.1239 C 0 0 0
- 1.3958 -3.6535 -0.7421 O 0 0 0
- 2.5647 -3.0046 0.8898 O 0 5 0
- -0.5740 3.0576 0.0000 H 0 0 0
- -0.9371 -2.4073 0.0000 H 0 0 0
- 0.9498 2.8168 0.0000 H 0 0 0
- -2.9447 3.1150 0.0000 H 0 0 0
- -2.8526 -2.3579 0.0000 H 0 0 0
- 3.6541 -1.2290 0.0000 H 0 0 0
- 3.6783 2.9063 0.0000 H 0 0 0
- 2.7678 3.2792 0.0000 H 0 0 0
- -5.1156 1.9687 0.0000 H 0 0 0
- -5.2574 -2.2265 0.0000 H 0 0 0
- 4.8640 0.7675 0.0000 H 0 0 0
- 1.8104 1.7314 0.0000 H 0 0 0
- -6.3780 -0.0778 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 16 21 2 0
- 18 22 2 0
- 18 23 1 0
- 7 12 1 0
- 9 10 1 0
- 14 19 1 0
- 17 21 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6795-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.1858 -0.3144 -0.1035 C 0 0 0
- -1.5565 -0.3195 0.1358 C 0 0 0
- 0.4720 0.9260 -0.1370 C 0 0 0
- 0.4307 -1.4820 -0.3170 O 0 0 0
- -2.2685 0.8578 0.2990 C 0 0 0
- -2.5359 -1.4665 0.2819 C 0 0 1
- -0.2403 2.1212 0.0090 C 0 0 0
- 1.9385 0.9297 -0.3063 C 0 0 0
- 1.7472 -1.5239 -0.0867 C 0 0 0
- -3.5903 0.6096 0.5048 O 0 0 0
- -1.6025 2.0849 0.2312 C 0 0 0
- -3.7698 -0.7555 0.9126 C 0 0 1
- -3.0237 -1.8806 -1.1222 C 0 0 0
- 0.4053 3.3120 -0.0679 O 0 0 0
- 2.5706 -0.3892 -0.0837 C 0 0 0
- 2.5705 1.9278 -0.6028 O 0 0 0
- 2.3398 -2.7642 0.1636 C 0 0 0
- -4.9012 -1.2948 0.1964 O 0 0 0
- -4.4812 -1.3735 -1.1824 C 0 0 0
- -0.5808 4.3293 0.1187 C 0 0 0
- 3.9482 -0.4963 0.1271 C 0 0 0
- 3.6953 -2.8634 0.3861 C 0 0 0
- 4.5064 -1.7420 0.3652 C 0 0 0
- 4.7324 0.6106 0.0992 O 0 0 0
- -1.8076 -2.1969 0.0000 H 0 0 0
- -2.1417 2.9642 0.0000 H 0 0 0
- -3.8100 -1.7861 0.0000 H 0 0 0
- -3.5292 -2.7797 0.0000 H 0 0 0
- -2.2279 -2.5368 0.0000 H 0 0 0
- 1.7582 -3.6160 0.0000 H 0 0 0
- -3.7352 -0.6613 0.0000 H 0 0 0
- -4.7747 -0.3847 0.0000 H 0 0 0
- 0.1598 5.0472 0.0000 H 0 0 0
- -1.2987 5.0699 0.0000 H 0 0 0
- -1.3214 3.6114 0.0000 H 0 0 0
- 4.1307 -3.7984 0.0000 H 0 0 0
- 5.5324 -1.8475 0.0000 H 0 0 0
- 5.3287 1.4522 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 17 22 2 0
- 21 23 2 0
- 21 24 1 0
- 7 11 2 0
- 9 15 2 0
- 10 12 1 0
- 18 19 1 0
- 22 23 1 0
- 6 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 17 30 1 0
- 19 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85721-33-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 0.4762 0.5251 -0.0861 C 0 0 0
- 1.5478 1.3908 -0.1485 N 0 0 0
- 0.6892 -0.8626 0.0034 C 0 0 0
- -0.8258 1.0118 -0.1050 C 0 0 0
- 1.2836 2.8289 -0.2405 C 0 0 0
- 2.8201 0.9723 -0.1281 C 0 0 0
- 2.0735 -1.3633 0.0286 C 0 0 0
- -0.3962 -1.7402 0.0670 C 0 0 0
- -1.8919 0.1297 -0.0417 C 0 0 0
- 1.9081 3.5401 0.9616 C 0 0 0
- 2.6064 3.5813 -0.3991 C 0 0 0
- 3.1526 -0.3641 -0.0426 C 0 0 0
- 2.3162 -2.5554 0.1055 O 0 0 0
- -1.6699 -1.2477 0.0421 C 0 0 0
- -3.1956 0.6193 -0.0603 N 0 0 0
- 4.5609 -0.7833 -0.0224 C 0 0 0
- -2.7199 -2.0955 0.1032 F 0 0 0
- -3.8481 0.1284 1.1598 C 0 0 0
- -3.8717 -0.0240 -1.1936 C 0 0 0
- 4.8735 -2.0920 0.0614 O 0 0 0
- 5.4440 0.0500 -0.0812 O 0 0 0
- -5.3245 0.5260 1.1489 C 0 0 0
- -5.3482 0.3736 -1.2045 C 0 0 0
- -6.0007 -0.1173 0.0156 N 0 0 0
- -0.9973 2.0307 0.0000 H 0 0 0
- 0.2877 3.1039 0.0000 H 0 0 0
- 3.5772 1.6754 0.0000 H 0 0 0
- -0.2362 -2.7609 0.0000 H 0 0 0
- 2.1143 4.5525 0.0000 H 0 0 0
- 0.9826 3.9995 0.0000 H 0 0 0
- 3.4080 2.9294 0.0000 H 0 0 0
- 2.9235 4.5646 0.0000 H 0 0 0
- -4.3288 -0.7861 0.0000 H 0 0 0
- -3.0611 -0.5411 0.0000 H 0 0 0
- -4.3169 -0.9564 0.0000 H 0 0 0
- -3.0355 -0.6309 0.0000 H 0 0 0
- 5.1135 -3.0969 0.0000 H 0 0 0
- -4.8793 1.4584 0.0000 H 0 0 0
- -6.1606 1.1330 0.0000 H 0 0 0
- -4.8675 1.2881 0.0000 H 0 0 0
- -6.1352 1.0431 0.0000 H 0 0 0
- -6.7891 -0.7851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 16 21 2 0
- 18 22 1 0
- 19 23 1 0
- 22 24 1 0
- 7 12 1 0
- 9 14 1 0
- 10 11 1 0
- 23 24 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 8 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-34256-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- 0.8937 0.7023 -0.0334 C 0 0 0
- -0.0165 -0.3229 0.2469 N 0 0 0
- 0.9351 1.8346 0.7693 C 0 0 0
- 1.7615 0.5870 -1.1117 C 0 0 0
- -1.2461 -0.3017 -0.3045 C 0 0 0
- 0.3673 -1.4192 1.1396 C 0 0 0
- 1.8347 2.8449 0.4899 C 0 0 0
- -0.0008 1.9613 1.9437 C 0 0 0
- 2.6585 1.6005 -1.3856 C 0 0 0
- 1.7239 -0.6427 -1.9820 C 0 0 0
- -2.4675 -0.2849 0.5782 C 0 0 0
- -1.3697 -0.2962 -1.5110 O 0 0 0
- 0.8981 -2.4984 0.3677 O 0 0 0
- 2.6933 2.7296 -0.5876 C 0 0 0
- -1.2953 2.6410 1.4931 C 0 0 0
- -3.9500 -0.2583 -0.4477 Cl 0 0 0
- 1.9177 -3.1104 1.1601 C 0 0 0
- 2.5306 -4.2802 0.3875 C 0 0 0
- -0.5320 -1.2863 0.0000 H 0 0 0
- -0.1684 -2.1536 0.0000 H 0 0 0
- 1.5188 3.6973 0.0000 H 0 0 0
- -0.7077 1.3897 0.0000 H 0 0 0
- 0.2441 1.0858 0.0000 H 0 0 0
- 3.5035 1.2653 0.0000 H 0 0 0
- 0.8153 -0.6149 0.0000 H 0 0 0
- 1.6961 -1.5513 0.0000 H 0 0 0
- 2.6325 -0.6705 0.0000 H 0 0 0
- -2.9350 -1.0646 0.0000 H 0 0 0
- -2.0249 -1.0790 0.0000 H 0 0 0
- 3.3867 3.3175 0.0000 H 0 0 0
- -0.8727 3.4459 0.0000 H 0 0 0
- -2.1002 3.0636 0.0000 H 0 0 0
- -1.7179 1.8361 0.0000 H 0 0 0
- 2.8177 -2.9822 0.0000 H 0 0 0
- 2.0979 -2.2194 0.0000 H 0 0 0
- 1.7254 -4.7021 0.0000 H 0 0 0
- 2.9525 -5.0854 0.0000 H 0 0 0
- 3.3358 -3.8583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 11 16 1 0
- 13 17 1 0
- 17 18 1 0
- 9 14 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2210-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.7423 0.1511 0.0676 C 0 0 0
- -1.9103 0.8943 -0.0180 C 0 0 0
- 0.4590 0.7796 0.1622 O 0 0 0
- -0.8028 -1.2351 0.0624 C 0 0 0
- -3.1303 0.2530 -0.1142 C 0 0 0
- -1.8487 2.4000 -0.0068 C 0 0 0
- 1.4553 -0.2423 0.2335 C 0 0 0
- -2.0254 -1.8714 -0.0281 C 0 0 0
- -3.1875 -1.1282 -0.1250 C 0 0 0
- 2.8391 0.4012 0.3421 C 0 0 0
- 3.9058 -0.6929 0.4184 C 0 0 0
- 3.6299 0.0237 -0.7867 O 0 0 0
- 0.0716 -1.7922 0.0000 H 0 0 0
- -4.0065 0.8073 0.0000 H 0 0 0
- -0.8128 2.3576 0.0000 H 0 0 0
- -1.8063 3.4359 0.0000 H 0 0 0
- -2.8846 2.4424 0.0000 H 0 0 0
- 0.6364 -0.8782 0.0000 H 0 0 0
- 1.9952 -1.1274 0.0000 H 0 0 0
- -2.0716 -2.9072 0.0000 H 0 0 0
- -4.1070 -1.6072 0.0000 H 0 0 0
- 2.8443 1.4380 0.0000 H 0 0 0
- 3.4930 -1.6439 0.0000 H 0 0 0
- 4.9424 -0.7147 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 1 0
- 10 12 1 0
- 8 9 1 0
- 11 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.0164 0.0133 -0.0015 C 0 0 0
- -1.4679 0.4184 0.0004 C 0 0 0
- 0.9465 0.9563 0.0004 N 0 0 0
- 0.2853 -1.1614 0.0004 O 0 0 0
- -1.1962 1.3920 0.0000 H 0 0 0
- -2.4415 0.6901 0.0000 H 0 0 0
- -1.7396 -0.5552 0.0000 H 0 0 0
- 1.9201 0.6845 0.0000 H 0 0 0
- 0.6951 1.9353 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.1907 -0.5082 0.0040 C 0 0 0
- 0.7305 -1.5456 0.0029 C 0 0 0
- 0.2490 0.8073 0.0030 C 0 0 0
- -1.5223 -0.7806 0.0005 O 0 0 0
- 2.0833 -1.2668 0.0008 C 0 0 0
- 1.6030 1.0822 0.0009 C 0 0 0
- -2.2012 0.4768 0.0027 C 0 0 0
- 2.5200 0.0464 -0.0002 C 0 0 0
- -3.6901 0.2439 -0.0011 C 0 0 0
- 4.2208 0.3943 -0.0023 Cl 0 0 0
- -4.5328 1.2886 0.0002 O 0 0 0
- -4.1252 -0.8833 -0.0053 O 0 0 0
- 0.4034 -2.5304 0.0000 H 0 0 0
- -0.4386 1.5846 0.0000 H 0 0 0
- 2.7726 -2.0425 0.0000 H 0 0 0
- 1.9323 2.0663 0.0000 H 0 0 0
- -1.2382 0.8634 0.0000 H 0 0 0
- -2.4765 1.4774 0.0000 H 0 0 0
- -5.1843 2.0963 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-611-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.7876 0.6343 0.0032 C 0 0 0
- -0.2872 -0.6554 0.0014 C 0 0 0
- 0.0782 1.7120 0.0034 C 0 0 0
- -2.2504 0.8604 -0.0012 N 0 3 0
- 1.0802 -0.8665 -0.0003 C 0 0 0
- -1.3746 -2.0086 0.0018 Cl 0 0 0
- 1.4441 1.5017 0.0017 C 0 0 0
- -2.6911 1.9958 0.0004 O 0 0 0
- -3.0133 -0.0890 -0.0064 O 0 5 0
- 1.9459 0.2121 -0.0002 C 0 0 0
- 3.6617 -0.0519 -0.0017 Cl 0 0 0
- -0.2976 2.6791 0.0000 H 0 0 0
- 1.4560 -1.8336 0.0000 H 0 0 0
- 2.0935 2.3109 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 10 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-19-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -1.5151 0.6270 0.1066 C 0 0 0
- -2.0549 -0.6616 -0.0494 C 0 0 0
- -0.1779 0.7895 0.1891 O 0 0 0
- -2.3675 1.7183 0.1798 C 0 0 0
- -1.1329 -1.8065 -0.1186 C 0 0 0
- -3.4421 -0.8393 -0.1355 C 0 0 0
- 0.6770 -0.2458 0.1276 C 0 0 0
- -3.7388 1.5344 0.0993 C 0 0 0
- 0.2561 -1.5331 -0.0223 C 0 0 0
- -1.5470 -2.9469 -0.2532 O 0 0 0
- -4.2750 0.2615 -0.0658 C 0 0 0
- -3.9640 -2.0829 -0.2866 O 0 0 0
- 2.1237 0.0213 0.2261 C 0 0 0
- -4.5663 2.6081 0.1718 O 0 0 0
- 1.1607 -2.5482 -0.0797 O 0 0 0
- 2.8158 0.5445 -0.8699 C 0 0 0
- 2.8054 -0.2427 1.4174 C 0 0 0
- -5.9008 2.1093 0.0607 C 0 0 0
- 4.1715 0.7933 -0.7719 C 0 0 0
- 4.1577 0.0082 1.5076 C 0 0 0
- 4.8456 0.5227 0.4175 C 0 0 0
- 4.8480 1.3019 -1.8364 O 0 0 0
- 6.1788 0.7681 0.5118 O 0 0 0
- -1.9824 2.6626 0.0000 H 0 0 0
- -5.2869 0.1348 0.0000 H 0 0 0
- -4.3586 -3.0232 0.0000 H 0 0 0
- 1.8391 -3.3095 0.0000 H 0 0 0
- 2.4052 1.4779 0.0000 H 0 0 0
- 2.7107 -1.2581 0.0000 H 0 0 0
- -6.2578 3.0645 0.0000 H 0 0 0
- -6.8560 1.7523 0.0000 H 0 0 0
- -5.5438 1.1541 0.0000 H 0 0 0
- 4.5668 -0.9259 0.0000 H 0 0 0
- 5.6631 1.9147 0.0000 H 0 0 0
- 7.1817 0.9527 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 2 0
- 19 21 2 0
- 19 22 1 0
- 21 23 1 0
- 7 9 2 0
- 8 11 1 0
- 20 21 1 0
- 4 24 1 0
- 11 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 20 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-76-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0468 0.5994 0.0028 C 0 0 0
- -0.3875 -0.7428 0.0004 C 0 0 0
- 1.2834 0.9756 0.0026 C 0 0 0
- -1.2908 1.8102 -0.0013 Cl 0 0 0
- 0.6019 -1.7102 -0.0017 C 0 0 0
- -2.0588 -1.2126 0.0005 Cl 0 0 0
- 2.2775 0.0061 0.0001 C 0 0 0
- 1.9322 -1.3395 -0.0018 C 0 0 0
- 3.6230 0.3834 -0.0001 N 0 0 0
- 1.5397 1.9850 0.0000 H 0 0 0
- 0.3430 -2.7190 0.0000 H 0 0 0
- 2.6761 -2.0683 0.0000 H 0 0 0
- 4.3679 -0.3444 0.0000 H 0 0 0
- 3.8809 1.3924 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-626-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.3784 -0.0261 0.0030 C 0 0 0
- 0.2915 -1.2410 0.0015 C 0 0 0
- 0.3546 1.1473 0.0020 C 0 0 0
- -2.1137 0.0212 -0.0011 Cl 0 0 0
- 1.6780 -1.2298 -0.0009 C 0 0 0
- 1.6728 1.1186 -0.0004 N 0 0 0
- 2.3419 -0.0179 -0.0018 C 0 0 0
- -0.2325 -2.1366 0.0000 H 0 0 0
- -0.1386 2.0602 0.0000 H 0 0 0
- 2.2105 -2.1204 0.0000 H 0 0 0
- 3.3794 -0.0019 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 6 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.0485 0.6845 -0.2977 N 0 0 0
- -0.4473 -0.6155 -0.3407 N 0 0 0
- 1.3917 1.0069 -0.0631 C 0 0 0
- -0.9204 1.5939 -0.5149 C 0 0 0
- 0.3342 -1.7610 -0.1535 C 0 0 0
- -1.7715 -0.6352 -0.5837 C 0 0 0
- 2.1734 1.5169 -1.0913 C 0 0 0
- 1.9401 0.8219 1.1988 C 0 0 0
- -2.1997 0.8108 -0.7252 C 0 0 0
- -0.7940 2.8000 -0.5371 O 0 0 0
- 0.1916 -2.5196 1.0007 C 0 0 0
- 1.2501 -2.1449 -1.1245 C 0 0 0
- -2.4790 -1.6157 -0.6782 O 0 0 0
- 3.4968 1.8348 -0.8594 C 0 0 0
- 3.2640 1.1403 1.4294 C 0 0 0
- -3.1959 1.1540 0.3842 C 0 0 0
- 0.9642 -3.6502 1.1822 C 0 0 0
- 2.0195 -3.2761 -0.9370 C 0 0 0
- 4.0457 1.6448 0.4006 C 0 0 0
- -4.5917 0.6726 -0.0169 C 0 0 0
- 1.8788 -4.0267 0.2161 C 0 0 0
- 5.3491 1.9580 0.6284 O 0 0 0
- -5.5879 1.0158 1.0925 C 0 0 0
- -6.9837 0.5344 0.6915 C 0 0 0
- 1.7796 2.4306 0.0000 H 0 0 0
- 1.8957 -0.1720 0.0000 H 0 0 0
- -2.3077 1.7999 0.0000 H 0 0 0
- -0.7821 -2.7239 0.0000 H 0 0 0
- 1.8797 -1.3745 0.0000 H 0 0 0
- 3.5453 2.8286 0.0000 H 0 0 0
- 3.6556 0.2257 0.0000 H 0 0 0
- -2.6065 1.9555 0.0000 H 0 0 0
- -3.7856 1.9553 0.0000 H 0 0 0
- 0.3379 -4.4233 0.0000 H 0 0 0
- 2.9934 -3.0726 0.0000 H 0 0 0
- -5.1811 -0.1289 0.0000 H 0 0 0
- -4.0020 -0.1287 0.0000 H 0 0 0
- 2.3536 -4.9010 0.0000 H 0 0 0
- 6.3165 2.1905 0.0000 H 0 0 0
- -4.9985 1.8173 0.0000 H 0 0 0
- -6.1776 1.8171 0.0000 H 0 0 0
- -7.3081 1.4750 0.0000 H 0 0 0
- -7.9243 0.2100 0.0000 H 0 0 0
- -6.6593 -0.4062 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 1 0
- 16 20 1 0
- 17 21 2 0
- 19 22 1 0
- 20 23 1 0
- 23 24 1 0
- 6 9 1 0
- 15 19 2 0
- 18 21 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-461-72-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 1.1523 -0.1070 -0.0017 C 0 0 0
- 0.0450 -0.8751 -0.0014 N 0 0 0
- 0.6572 1.3257 -0.0005 C 0 0 0
- 2.3047 -0.4835 0.0016 O 0 0 0
- -1.0693 -0.1345 -0.0001 C 0 0 0
- -0.8092 1.1853 0.0005 N 0 0 0
- -2.1912 -0.6020 0.0008 O 0 0 0
- 0.0550 -1.8839 0.0000 H 0 0 0
- 1.6338 1.5789 0.0000 H 0 0 0
- 0.4820 2.3193 0.0000 H 0 0 0
- -1.4864 1.9332 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 5 6 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53693-66-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 62 1 V2000
- -1.3876 -0.0016 -0.0019 C 0 0 0
- -2.8702 -0.0015 -0.0019 C 0 0 0
- -0.6902 -0.0118 -1.2096 C 0 0 0
- -0.6901 0.0144 1.2062 C 0 0 0
- -3.5685 -0.7649 0.9328 C 0 0 0
- -3.5685 0.7667 -0.9333 C 0 0 0
- 0.6873 -0.0114 -1.2095 C 0 0 0
- 0.6870 0.0148 1.2062 C 0 0 0
- -4.9471 -0.7629 0.9311 C 0 0 0
- -4.9467 0.7656 -0.9311 C 0 0 0
- 1.3846 -0.0007 -0.0018 C 0 0 0
- -5.6410 -0.0006 -0.0014 C 0 0 0
- 2.8672 -0.0002 -0.0017 C 0 0 0
- -7.0367 -0.0002 -0.0012 N 0 0 0
- 3.5653 0.7795 0.9202 C 0 0 0
- 3.5657 -0.7837 -0.9195 C 0 0 0
- -7.7696 -0.7672 -1.0115 C 0 0 0
- -7.7687 0.7673 1.0094 C 0 0 0
- 4.9435 0.7780 0.9187 C 0 0 0
- 4.9443 -0.7820 -0.9172 C 0 0 0
- -7.7868 -2.2452 -0.6163 C 0 0 0
- -7.7615 2.2492 0.6285 C 0 0 0
- 5.6380 0.0000 -0.0009 C 0 0 0
- 7.0337 0.0001 -0.0006 N 0 0 0
- 7.7664 0.7515 -1.0227 C 0 0 0
- 7.7659 -0.7512 1.0220 C 0 0 0
- 7.7992 2.2328 -0.6411 C 0 0 0
- 7.7856 -2.2348 0.6485 C 0 0 0
- -0.6959 -0.8073 0.0000 H 0 0 0
- -0.6993 0.8099 0.0000 H 0 0 0
- -3.2483 -1.4932 0.0000 H 0 0 0
- -3.2469 1.4944 0.0000 H 0 0 0
- 0.6935 -0.8069 0.0000 H 0 0 0
- 0.6957 0.8103 0.0000 H 0 0 0
- -5.2692 -1.4903 0.0000 H 0 0 0
- -5.2694 1.4928 0.0000 H 0 0 0
- 3.2411 1.5060 0.0000 H 0 0 0
- 3.2408 -1.5099 0.0000 H 0 0 0
- -8.1751 -0.0828 0.0000 H 0 0 0
- -8.5381 -0.9730 0.0000 H 0 0 0
- -8.5348 0.9817 0.0000 H 0 0 0
- -8.1784 0.0854 0.0000 H 0 0 0
- 5.2690 1.5039 0.0000 H 0 0 0
- 5.2710 -1.5074 0.0000 H 0 0 0
- -8.5823 -2.2359 0.0000 H 0 0 0
- -7.7961 -3.0407 0.0000 H 0 0 0
- -6.9913 -2.2545 0.0000 H 0 0 0
- -6.9660 2.2453 0.0000 H 0 0 0
- -7.7576 3.0447 0.0000 H 0 0 0
- -8.5570 2.2531 0.0000 H 0 0 0
- 8.1649 0.0629 0.0000 H 0 0 0
- 8.5370 0.9493 0.0000 H 0 0 0
- 8.5353 -0.9536 0.0000 H 0 0 0
- 8.1665 -0.0639 0.0000 H 0 0 0
- 8.5946 2.2152 0.0000 H 0 0 0
- 7.8168 3.0282 0.0000 H 0 0 0
- 7.0038 2.2504 0.0000 H 0 0 0
- 6.9901 -2.2454 0.0000 H 0 0 0
- 7.7962 -3.0303 0.0000 H 0 0 0
- 8.5811 -2.2242 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 14 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 8 11 1 0
- 10 12 1 0
- 20 23 2 0
- 3 29 1 0
- 4 30 1 0
- 5 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 9 35 1 0
- 10 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 21 47 1 0
- 22 48 1 0
- 22 49 1 0
- 22 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 27 55 1 0
- 27 56 1 0
- 27 57 1 0
- 28 58 1 0
- 28 59 1 0
- 28 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-581-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.8791 0.5972 -0.0048 C 0 0 0
- -0.7264 -0.8614 -0.0024 C 0 0 0
- 0.2575 1.4108 -0.0045 C 0 0 0
- -2.1737 1.1511 -0.0015 C 0 0 0
- 0.4803 -1.4172 0.0001 N 0 0 0
- -1.8905 -1.6605 -0.0022 C 0 0 0
- 1.5065 0.7857 -0.0019 C 0 0 0
- -3.2583 0.3224 0.0039 C 0 0 0
- 1.5842 -0.6786 0.0004 C 0 0 0
- -3.1121 -1.0710 -0.0043 C 0 0 0
- 2.7007 1.5349 -0.0010 C 0 0 0
- -4.5406 0.8750 0.0076 N 0 0 0
- 2.8601 -1.2827 0.0034 C 0 0 0
- 3.8954 0.8887 0.0020 C 0 0 0
- 3.9722 -0.5041 0.0041 C 0 0 0
- 0.1752 2.4551 0.0000 H 0 0 0
- -2.3033 2.1906 0.0000 H 0 0 0
- -1.8110 -2.7050 0.0000 H 0 0 0
- -3.9690 -1.6735 0.0000 H 0 0 0
- 2.6669 2.5819 0.0000 H 0 0 0
- -4.6626 1.9154 0.0000 H 0 0 0
- -5.3806 0.2492 0.0000 H 0 0 0
- 2.9483 -2.3265 0.0000 H 0 0 0
- 4.7801 1.4496 0.0000 H 0 0 0
- 4.9143 -0.9620 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 10 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-61-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.4116 0.4126 0.0031 C 0 0 0
- -0.7704 -0.9233 0.0011 C 0 0 0
- 0.9237 0.7696 0.0026 C 0 0 0
- -1.4576 1.4599 -0.0004 N 0 3 0
- 0.2075 -1.9024 -0.0015 C 0 0 0
- -2.4475 -1.3717 0.0011 Cl 0 0 0
- 1.9013 -0.2091 0.0001 C 0 0 0
- -1.1417 2.6362 0.0014 O 0 0 0
- -2.6343 1.1453 -0.0050 O 0 5 0
- 1.5424 -1.5455 -0.0019 C 0 0 0
- 3.5784 0.2392 -0.0005 Cl 0 0 0
- 1.1928 1.7716 0.0000 H 0 0 0
- -0.0616 -2.9044 0.0000 H 0 0 0
- 2.2756 -2.2795 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16169-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.4425 -0.6160 -0.0572 C 0 0 0
- -1.0173 -0.3553 -0.0401 C 0 0 0
- 1.3481 0.4465 0.0485 C 0 0 0
- 0.9191 -1.9192 -0.1726 C 0 0 0
- -1.7896 -0.7715 1.0427 C 0 0 0
- -1.6213 0.3121 -1.1046 C 0 0 0
- 2.7119 0.1922 0.0315 C 0 0 0
- 0.8812 1.7551 0.1699 N 0 0 0
- 2.2789 -2.1570 -0.1880 C 0 0 0
- -3.1477 -0.5257 1.0534 C 0 0 0
- -2.9799 0.5523 -1.0831 C 0 0 0
- 3.1723 -1.1049 -0.0893 C 0 0 0
- 1.7997 2.8275 0.2766 O 0 0 0
- -3.7425 0.1322 -0.0079 C 0 0 0
- 0.2549 -2.7132 0.0000 H 0 0 0
- -1.6271 -1.7939 0.0000 H 0 0 0
- -1.1204 1.2180 0.0000 H 0 0 0
- 3.3843 0.9792 0.0000 H 0 0 0
- -0.1367 1.9432 0.0000 H 0 0 0
- 2.6308 -3.1305 0.0000 H 0 0 0
- -3.6507 -1.4305 0.0000 H 0 0 0
- -3.1492 1.5735 0.0000 H 0 0 0
- 4.1905 -1.2917 0.0000 H 0 0 0
- 2.4731 3.6137 0.0000 H 0 0 0
- -4.7634 0.3034 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 2 0
- 9 12 2 0
- 11 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 0.9718 0.0569 -0.2338 C 0 0 0
- -0.3913 0.5905 0.2113 C 0 0 0
- 2.0629 1.0558 0.1570 C 0 0 0
- 1.2414 -1.2857 0.4484 C 0 0 0
- -1.5006 -0.1947 -0.4914 C 0 0 0
- -0.5232 0.4388 1.6261 O 0 0 0
- 2.2939 2.0355 -0.9952 C 0 0 0
- 2.1435 -2.0535 -0.3509 O 0 0 0
- -2.8637 0.3389 -0.0462 C 0 0 0
- -3.9730 -0.4463 -0.7490 C 0 0 0
- 0.1908 -0.5981 0.0000 H 0 0 0
- -0.5148 1.6023 0.0000 H 0 0 0
- 2.4758 0.1238 0.0000 H 0 0 0
- 3.0778 1.1502 0.0000 H 0 0 0
- 0.2275 -1.1810 0.0000 H 0 0 0
- 0.8407 -2.2229 0.0000 H 0 0 0
- -2.0481 -1.0545 0.0000 H 0 0 0
- -0.7624 -0.8976 0.0000 H 0 0 0
- -1.1920 -0.3304 0.0000 H 0 0 0
- 3.2860 1.8016 0.0000 H 0 0 0
- 2.5278 3.0276 0.0000 H 0 0 0
- 1.3018 2.2694 0.0000 H 0 0 0
- 2.9197 -2.7142 0.0000 H 0 0 0
- -2.3162 1.1987 0.0000 H 0 0 0
- -3.6019 1.0418 0.0000 H 0 0 0
- -4.5619 0.3857 0.0000 H 0 0 0
- -4.8050 -1.0352 0.0000 H 0 0 0
- -3.3841 -1.2783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63655-40-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- 0.7561 0.8596 0.0028 C 0 0 0
- 0.4640 -0.5161 -0.0003 C 0 0 0
- 2.1354 0.9594 0.0029 N 0 0 0
- -0.2735 1.7920 -0.0001 C 0 0 0
- -0.8647 -0.9367 -0.0008 C 0 0 0
- 1.6523 -1.1771 -0.0019 N 0 0 0
- 2.6351 -0.3118 0.0000 C 0 0 0
- -1.5748 1.3778 -0.0060 C 0 0 0
- -1.8845 0.0116 0.0018 C 0 0 0
- 3.9753 -0.6357 -0.0007 N 0 0 0
- -3.2528 -0.4108 0.0013 C 0 0 0
- -4.3382 -0.7458 0.0009 N 0 0 0
- 2.6881 1.8370 0.0000 H 0 0 0
- -0.0534 2.8055 0.0000 H 0 0 0
- -1.0923 -1.9486 0.0000 H 0 0 0
- -2.3388 2.0793 0.0000 H 0 0 0
- 4.2684 -1.6306 0.0000 H 0 0 0
- 4.6904 0.1156 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 11 12 3 0
- 6 7 2 0
- 8 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 8 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101021-43-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 0.3674 -0.9059 0.0021 C 0 0 0
- -1.0749 -0.6591 0.0015 C 0 0 0
- 1.5453 -0.0460 0.0012 C 0 0 0
- 0.5368 -2.2934 -0.0029 C 0 0 0
- -1.8991 0.5440 0.0003 C 0 0 0
- -1.6967 -1.9108 0.0028 C 0 0 0
- 2.8272 -0.6477 0.0023 C 0 0 0
- 1.4378 1.3494 -0.0011 C 0 0 0
- -0.7130 -2.8790 -0.0065 N 0 0 0
- 1.8294 -2.8371 -0.0031 C 0 0 0
- -3.3082 0.4037 0.0005 C 0 0 0
- -1.3323 1.8235 0.0000 C 0 0 0
- -3.0965 -1.9930 0.0030 C 0 0 0
- 2.9336 -2.0520 0.0037 C 0 0 0
- 3.9687 0.1697 0.0016 C 0 0 0
- 2.5670 2.1137 -0.0022 C 0 0 0
- -3.8763 -0.8849 0.0014 C 0 0 0
- -4.1118 1.5549 -0.0007 C 0 0 0
- -2.1422 2.9206 -0.0001 C 0 0 0
- 3.8283 1.5247 -0.0003 C 0 0 0
- -3.5276 2.7856 -0.0019 C 0 0 0
- 5.0561 2.3986 -0.0006 C 0 0 0
- 0.4924 1.8054 0.0000 H 0 0 0
- -0.8902 -3.9135 0.0000 H 0 0 0
- 1.9446 -3.8804 0.0000 H 0 0 0
- -0.2890 1.9382 0.0000 H 0 0 0
- -3.5525 -2.9384 0.0000 H 0 0 0
- 3.8839 -2.4977 0.0000 H 0 0 0
- 4.9258 -0.2612 0.0000 H 0 0 0
- 2.4841 3.1600 0.0000 H 0 0 0
- -4.9208 -0.9886 0.0000 H 0 0 0
- -5.1578 1.4678 0.0000 H 0 0 0
- -1.7153 3.8795 0.0000 H 0 0 0
- -4.1309 3.6445 0.0000 H 0 0 0
- 5.6647 1.5435 0.0000 H 0 0 0
- 5.9112 3.0072 0.0000 H 0 0 0
- 4.4475 3.2537 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 18 21 2 0
- 20 22 1 0
- 6 9 1 0
- 10 14 2 0
- 13 17 2 0
- 16 20 1 0
- 19 21 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
- 22 35 1 0
- 22 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56980-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 44 1 V2000
- -1.7600 0.1475 -0.0505 C 0 0 0
- -3.0460 -0.4155 -0.0670 C 0 0 0
- -1.6110 1.5242 0.0235 C 0 0 0
- -0.6659 -0.6535 -0.1010 O 0 0 0
- -4.1680 0.4200 -0.0086 C 0 0 0
- -3.2133 -1.8717 -0.1456 C 0 0 0
- -2.7222 2.3404 0.0808 C 0 0 0
- 0.4762 0.2047 -0.0683 C 0 0 0
- -4.0011 1.7909 0.0649 C 0 0 0
- -4.5957 -2.4714 -0.1631 C 0 0 0
- -2.2388 -2.5923 -0.1965 O 0 0 0
- 1.7507 -0.6401 -0.1227 C 0 0 0
- -5.1211 2.6281 0.1234 N 0 0 0
- 2.9735 0.2789 -0.0876 C 0 0 0
- 1.7856 -1.5225 1.0008 O 0 0 0
- 4.1972 -0.5322 -0.1399 N 0 0 0
- 5.3272 0.4056 -0.1030 C 0 0 0
- 5.2472 1.3482 -1.3055 C 0 0 0
- 5.2702 1.2222 1.1897 C 0 0 0
- 6.6411 -0.3766 -0.1546 C 0 0 0
- -0.6510 1.9469 0.0000 H 0 0 0
- -5.1322 0.0069 0.0000 H 0 0 0
- -2.6030 3.3826 0.0000 H 0 0 0
- 1.1512 1.0076 0.0000 H 0 0 0
- -0.2450 0.9664 0.0000 H 0 0 0
- -5.0132 -1.5091 0.0000 H 0 0 0
- -5.5580 -2.8889 0.0000 H 0 0 0
- -4.1782 -3.4337 0.0000 H 0 0 0
- 0.8365 -1.1545 0.0000 H 0 0 0
- -4.9973 3.6697 0.0000 H 0 0 0
- -6.0851 2.2145 0.0000 H 0 0 0
- 3.6485 1.0819 0.0000 H 0 0 0
- 2.2523 1.0406 0.0000 H 0 0 0
- 1.8271 -2.5706 0.0000 H 0 0 0
- 4.2535 -1.5796 0.0000 H 0 0 0
- 6.2924 1.4369 0.0000 H 0 0 0
- 5.1585 2.3934 0.0000 H 0 0 0
- 4.2020 1.2595 0.0000 H 0 0 0
- 6.3166 1.2952 0.0000 H 0 0 0
- 5.1972 2.2686 0.0000 H 0 0 0
- 4.2238 1.1492 0.0000 H 0 0 0
- 6.1045 -1.2779 0.0000 H 0 0 0
- 7.5424 -0.9132 0.0000 H 0 0 0
- 7.1777 0.5247 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 17 20 1 0
- 7 9 1 0
- 3 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-931-97-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.5614 0.5173 0.0000 C 0 0 0
- 0.3041 0.6936 1.2493 C 0 0 0
- 0.3041 0.6937 -1.2492 C 0 0 0
- -1.1542 -0.8301 0.0000 C 0 0 0
- -1.6028 1.4958 0.0001 O 0 0 0
- 1.4191 -0.3542 1.2492 C 0 0 0
- 1.4191 -0.3541 -1.2492 C 0 0 0
- -1.6117 -1.8699 -0.0001 N 0 0 0
- 2.2846 -0.1777 0.0000 C 0 0 0
- 1.0018 1.1826 0.0000 H 0 0 0
- -0.0325 1.4763 0.0000 H 0 0 0
- 1.0018 1.1827 0.0000 H 0 0 0
- -0.0325 1.4764 0.0000 H 0 0 0
- -2.2237 2.0792 0.0000 H 0 0 0
- 0.7214 -0.8432 0.0000 H 0 0 0
- 1.7558 -1.1368 0.0000 H 0 0 0
- 0.7214 -0.8431 0.0000 H 0 0 0
- 1.7557 -1.1368 0.0000 H 0 0 0
- 2.8494 -0.8156 0.0000 H 0 0 0
- 2.5546 0.6304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 3 0
- 6 9 1 0
- 7 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59229-75-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.8944 0.0001 0.0037 C 0 0 0
- -0.2050 -1.1974 0.0029 C 0 0 0
- -0.2053 1.1973 0.0024 C 0 0 0
- -2.3744 0.0000 -0.0003 N 0 3 0
- 1.1845 -1.2010 0.0009 C 0 0 0
- 1.1847 1.2008 0.0004 C 0 0 0
- -2.9834 1.0549 0.0003 O 0 0 0
- -2.9834 -1.0548 -0.0043 O 0 5 0
- 1.8800 0.0001 -0.0004 C 0 0 0
- 1.8805 -2.4119 0.0006 N 0 0 0
- 1.8807 2.4118 -0.0013 N 0 0 0
- 3.3870 0.0001 -0.0032 C 0 0 0
- -0.7275 -2.0984 0.0000 H 0 0 0
- -0.7278 2.0983 0.0000 H 0 0 0
- 1.3580 -3.3129 0.0000 H 0 0 0
- 2.9220 -2.4139 0.0000 H 0 0 0
- 2.9222 2.4138 0.0000 H 0 0 0
- 1.3582 3.3128 0.0000 H 0 0 0
- 3.3870 -1.0414 0.0000 H 0 0 0
- 4.4285 0.0001 0.0000 H 0 0 0
- 3.3870 1.0416 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91575-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- 3.2970 0.1152 0.3503 C 0 0 0
- 2.8457 -0.8950 -0.4911 C 0 0 0
- 2.6810 1.3589 0.3289 C 0 0 0
- 4.3666 -0.1230 1.2213 N 0 0 0
- 1.7858 -0.6579 -1.3455 C 0 0 0
- 3.6120 -2.4525 -0.4681 Cl 0 0 0
- 1.6218 1.5892 -0.5278 C 0 0 0
- 5.4266 0.7094 1.2302 C 0 0 0
- 1.1748 0.5827 -1.3636 C 0 0 0
- 6.5162 0.5310 2.2558 C 0 0 0
- 5.5036 1.6020 0.4126 O 0 0 0
- 0.0195 0.8382 -2.2969 C 0 0 0
- -1.2727 0.4913 -1.6034 C 0 0 0
- -1.9463 1.4562 -0.8767 C 0 0 0
- -1.7850 -0.7892 -1.6997 C 0 0 0
- -3.1316 1.1412 -0.2401 C 0 0 0
- -2.9696 -1.1109 -1.0657 C 0 0 0
- -3.6462 -0.1469 -0.3310 C 0 0 0
- -3.9767 2.3524 0.6724 Cl 0 0 0
- -4.8463 -0.4698 0.3129 N 0 0 0
- -4.9035 -1.5348 1.1370 C 0 0 0
- -6.2224 -1.9581 1.7307 C 0 0 0
- -3.8936 -2.1524 1.4008 O 0 0 0
- 3.2369 2.0715 0.0000 H 0 0 0
- 4.5667 -1.0044 0.0000 H 0 0 0
- 1.2269 -1.3682 0.0000 H 0 0 0
- 1.2130 2.3953 0.0000 H 0 0 0
- 6.3702 -0.3610 0.0000 H 0 0 0
- 7.4082 0.3850 0.0000 H 0 0 0
- 6.6622 1.4230 0.0000 H 0 0 0
- 0.5158 1.5936 0.0000 H 0 0 0
- -0.5100 1.5707 0.0000 H 0 0 0
- -1.6357 2.3050 0.0000 H 0 0 0
- -1.1838 -1.4641 0.0000 H 0 0 0
- -3.2768 -1.9609 0.0000 H 0 0 0
- -5.5486 0.0991 0.0000 H 0 0 0
- -6.4986 -1.0975 0.0000 H 0 0 0
- -7.0830 -2.2343 0.0000 H 0 0 0
- -5.9462 -2.8187 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 16 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 7 9 2 0
- 17 18 2 0
- 3 24 1 0
- 4 25 1 0
- 5 26 1 0
- 7 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
- 12 31 1 0
- 12 32 1 0
- 14 33 1 0
- 15 34 1 0
- 17 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-81-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.8395 0.1944 -0.1719 C 0 0 0
- 0.5477 0.5062 -0.8104 C 0 0 0
- 2.8692 1.1411 -0.1697 C 0 0 0
- 2.0398 -1.0477 0.4401 C 0 0 0
- -0.5477 -0.5061 -0.8104 C 0 0 0
- 0.3756 1.5866 -1.3360 O 0 0 0
- 4.0745 0.8420 0.4294 C 0 0 0
- 3.2504 -1.3317 1.0348 C 0 0 0
- -1.8396 -0.1943 -0.1721 C 0 0 0
- -0.3755 -1.5865 -1.3360 O 0 0 0
- 4.2669 -0.3913 1.0277 C 0 0 0
- -2.8693 -1.1410 -0.1701 C 0 0 0
- -2.0400 1.0478 0.4398 C 0 0 0
- -4.0744 -0.8421 0.4294 C 0 0 0
- -3.2504 1.3316 1.0349 C 0 0 0
- -4.2667 0.3911 1.0281 C 0 0 0
- 2.6357 2.0554 0.0000 H 0 0 0
- 1.3495 -1.6910 0.0000 H 0 0 0
- 4.7706 1.4791 0.0000 H 0 0 0
- 3.4912 -2.2441 0.0000 H 0 0 0
- 5.1581 -0.7013 0.0000 H 0 0 0
- -2.6357 -2.0552 0.0000 H 0 0 0
- -1.3497 1.6912 0.0000 H 0 0 0
- -4.7705 -1.4792 0.0000 H 0 0 0
- -3.4913 2.2439 0.0000 H 0 0 0
- -5.1579 0.7011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 7 11 2 0
- 9 12 2 0
- 9 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 8 11 1 0
- 15 16 1 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-930-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.1880 0.0306 -0.5530 C 0 0 0
- -1.2034 -0.8702 0.1530 C 0 0 0
- -1.3585 0.5486 0.0822 O 0 0 0
- 1.0050 0.2415 0.3433 C 0 0 0
- 2.1962 -0.1327 -0.0529 C 0 0 0
- 0.2298 -0.8337 0.0000 H 0 0 0
- -2.1163 -1.1671 0.0000 H 0 0 0
- -0.7263 -1.7033 0.0000 H 0 0 0
- 1.0671 1.1995 0.0000 H 0 0 0
- 2.4050 -1.0697 0.0000 H 0 0 0
- 2.9033 0.5166 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 2 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-224-53-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.1581 0.2652 -0.0024 C 0 0 0
- -2.4250 -0.4790 -0.0019 C 0 0 0
- -1.1985 1.6821 0.0014 C 0 0 0
- -0.0001 -0.3795 -0.0008 N 0 0 0
- -3.6444 0.2309 0.0024 C 0 0 0
- -2.4375 -1.8758 -0.0060 C 0 0 0
- -0.0002 2.4008 0.0009 C 0 0 0
- -2.4809 2.3781 0.0062 C 0 0 0
- 1.1582 0.2651 -0.0013 C 0 0 0
- -3.6409 1.6901 0.0058 C 0 0 0
- -4.8515 -0.4819 0.0029 C 0 0 0
- -3.6299 -2.5424 -0.0059 C 0 0 0
- 1.1986 1.6820 -0.0033 C 0 0 0
- 2.4248 -0.4789 0.0005 C 0 0 0
- -4.8323 -1.8464 -0.0008 C 0 0 0
- 2.4807 2.3780 -0.0041 C 0 0 0
- 3.6445 0.2311 0.0003 C 0 0 0
- 2.4375 -1.8758 0.0030 C 0 0 0
- 3.6410 1.6900 -0.0081 C 0 0 0
- 4.8517 -0.4818 0.0021 C 0 0 0
- 3.6299 -2.5424 0.0051 C 0 0 0
- 4.8323 -1.8463 0.0040 C 0 0 0
- -1.5358 -2.4102 0.0000 H 0 0 0
- -0.0003 3.4490 0.0000 H 0 0 0
- -2.5009 3.4261 0.0000 H 0 0 0
- -4.5511 2.2099 0.0000 H 0 0 0
- -5.7654 0.0313 0.0000 H 0 0 0
- -3.6377 -3.5905 0.0000 H 0 0 0
- -5.7366 -2.3763 0.0000 H 0 0 0
- 2.5005 3.4260 0.0000 H 0 0 0
- 1.5358 -2.4103 0.0000 H 0 0 0
- 4.5511 2.2099 0.0000 H 0 0 0
- 5.7657 0.0313 0.0000 H 0 0 0
- 3.6378 -3.5905 0.0000 H 0 0 0
- 5.7366 -2.3763 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 2 0
- 11 15 2 0
- 13 16 2 0
- 14 17 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 1 0
- 17 19 2 0
- 21 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17831-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 42 1 V2000
- 6.0746 -0.8208 -0.1898 C 0 0 0
- 5.1086 -0.2345 0.5452 O 0 0 0
- 7.0047 0.0043 -0.9731 C 0 0 0
- 6.1795 -2.0315 -0.2006 O 0 0 0
- 4.1896 -1.0498 1.3192 C 0 0 0
- 7.9584 -0.5745 -1.6987 C 0 0 0
- 3.2003 -0.1440 2.0553 C 0 0 0
- 2.4657 0.6304 1.1051 O 0 0 0
- 1.5638 1.4511 1.8501 C 0 0 0
- 0.7422 2.3104 0.8871 C 0 0 0
- -0.0002 1.4632 0.0078 O 0 0 0
- -0.7427 2.3200 -0.8621 C 0 0 0
- -1.5642 1.4713 -1.8345 C 0 0 0
- -2.4661 0.6424 -1.0986 O 0 0 0
- -3.2007 -0.1215 -2.0572 C 0 0 0
- -4.1900 -1.0353 -1.3311 C 0 0 0
- -5.1090 -0.2286 -0.5482 O 0 0 0
- -6.0750 -0.8230 0.1803 C 0 0 0
- -7.0050 -0.0066 0.9727 C 0 0 0
- -6.1767 -2.0341 0.1818 O 0 0 0
- -7.9587 -0.5934 1.6919 C 0 0 0
- 6.9236 0.9022 0.0000 H 0 0 0
- 3.5582 -1.6933 0.0000 H 0 0 0
- 4.8109 -1.7031 0.0000 H 0 0 0
- 7.9387 -1.4758 0.0000 H 0 0 0
- 8.7488 -0.1409 0.0000 H 0 0 0
- 2.3288 -0.3748 0.0000 H 0 0 0
- 2.9849 -1.0194 0.0000 H 0 0 0
- 0.6932 1.2171 0.0000 H 0 0 0
- 1.3514 0.5749 0.0000 H 0 0 0
- 1.3752 2.9523 0.0000 H 0 0 0
- 0.0819 2.9243 0.0000 H 0 0 0
- -0.0789 2.9301 0.0000 H 0 0 0
- -1.3719 2.9657 0.0000 H 0 0 0
- -1.3507 0.5954 0.0000 H 0 0 0
- -0.6941 1.2352 0.0000 H 0 0 0
- -2.9848 -0.9968 0.0000 H 0 0 0
- -2.3299 -0.3550 0.0000 H 0 0 0
- -4.8080 -1.6917 0.0000 H 0 0 0
- -3.5556 -1.6758 0.0000 H 0 0 0
- -6.9290 0.8917 0.0000 H 0 0 0
- -8.7518 -0.1647 0.0000 H 0 0 0
- -7.9335 -1.4946 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 19 21 2 0
- 3 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 19 41 1 0
- 21 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-304-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 0.7429 -0.4953 -0.2285 C 0 0 0
- -0.7183 -0.7031 -0.0773 C 0 0 0
- 1.0550 0.8311 0.0598 C 0 0 0
- 1.7634 -1.3800 -0.5863 C 0 0 0
- -1.3197 0.4934 0.3056 C 0 0 0
- -1.5060 -1.8437 -0.2526 C 0 0 0
- -0.2323 1.5342 0.4147 C 0 0 0
- 2.3587 1.2704 -0.0116 C 0 0 0
- 3.0661 -0.9376 -0.6581 C 0 0 0
- -2.6807 0.5538 0.5100 C 0 0 0
- -2.8668 -1.7804 -0.0471 C 0 0 0
- 3.3703 0.3883 -0.3729 C 0 0 0
- -3.4608 -0.5830 0.3342 C 0 0 0
- 4.6941 0.8336 -0.4456 N 0 0 0
- -4.8426 -0.5225 0.5419 N 0 0 0
- 5.6672 0.1633 0.2026 C 0 0 0
- -5.5741 0.4330 -0.0650 C 0 0 0
- 7.1082 0.5657 0.0222 C 0 0 0
- 5.3831 -0.7639 0.9311 O 0 0 0
- -7.0390 0.5791 0.2573 C 0 0 0
- -5.0534 1.1753 -0.8706 O 0 0 0
- 1.5670 -2.3829 0.0000 H 0 0 0
- -1.0523 -2.7595 0.0000 H 0 0 0
- 0.3467 2.3763 0.0000 H 0 0 0
- -1.0108 2.1963 0.0000 H 0 0 0
- 2.5578 2.2728 0.0000 H 0 0 0
- 3.8246 -1.6225 0.0000 H 0 0 0
- -3.1367 1.4684 0.0000 H 0 0 0
- -3.4255 -2.6361 0.0000 H 0 0 0
- 4.8361 1.8457 0.0000 H 0 0 0
- -5.3150 -1.4287 0.0000 H 0 0 0
- 7.3831 -0.4186 0.0000 H 0 0 0
- 8.0925 0.8406 0.0000 H 0 0 0
- 6.8333 1.5500 0.0000 H 0 0 0
- -6.9376 1.5960 0.0000 H 0 0 0
- -8.0559 0.6805 0.0000 H 0 0 0
- -7.1404 -0.4378 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 15 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.5297 0.0000 -0.3199 C 0 0 0
- -0.7718 0.0000 0.4398 C 0 0 0
- 1.3337 1.2492 0.0460 C 0 0 0
- 1.3337 -1.2492 0.0461 C 0 0 0
- -1.8205 0.0000 -0.1591 O 0 0 0
- 0.0291 0.9175 0.0000 H 0 0 0
- -0.7718 1.0452 0.0000 H 0 0 0
- 2.2126 0.6836 0.0000 H 0 0 0
- 1.8993 2.1281 0.0000 H 0 0 0
- 0.4548 1.8148 0.0000 H 0 0 0
- 0.4548 -1.8148 0.0000 H 0 0 0
- 1.8993 -2.1281 0.0000 H 0 0 0
- 2.2126 -0.6836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-132742-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.5872 -0.6411 0.0344 C 0 0 0
- -0.8087 -0.8071 -0.0092 C 0 0 0
- 1.1383 0.6559 0.1052 C 0 0 0
- 1.4337 -1.7748 0.0014 C 0 0 0
- -1.6513 0.3273 0.0206 C 0 0 0
- -1.3633 -2.1047 -0.0836 C 0 0 0
- 2.6062 0.8023 0.1458 C 0 0 0
- 0.2959 1.7630 0.1341 C 0 0 0
- 2.8873 -1.5889 0.0578 C 0 0 0
- 0.8708 -3.0488 -0.0805 C 0 0 0
- -3.0982 0.1267 -0.0249 C 0 0 0
- -1.0875 1.6042 0.0918 C 0 0 0
- -0.5089 -3.2153 -0.1144 C 0 0 0
- -2.7692 -2.2578 -0.1251 C 0 0 0
- 3.4256 -0.3455 0.1406 C 0 0 0
- 3.1960 2.0816 0.2076 C 0 0 0
- -3.6033 -1.1571 -0.0959 C 0 0 0
- -4.0166 1.2916 0.0053 N 0 3 0
- 4.9228 -0.1873 0.2377 C 0 0 0
- 4.5050 2.2468 -0.0636 C 0 0 0
- -5.0279 1.2523 0.6829 O 0 0 0
- -3.7172 2.4491 -0.7535 O 0 5 0
- 5.3575 1.0828 -0.4917 C 0 0 0
- 0.7094 2.7328 0.0000 H 0 0 0
- 3.5209 -2.4316 0.0000 H 0 0 0
- 1.4982 -3.8961 0.0000 H 0 0 0
- -1.7126 2.4532 0.0000 H 0 0 0
- -0.9170 -4.1874 0.0000 H 0 0 0
- -3.1865 -3.2260 0.0000 H 0 0 0
- 2.5730 2.9322 0.0000 H 0 0 0
- -4.6477 -1.3009 0.0000 H 0 0 0
- 4.8809 -1.2408 0.0000 H 0 0 0
- 5.9592 -0.3810 0.0000 H 0 0 0
- 4.9219 3.2152 0.0000 H 0 0 0
- 6.2657 0.5473 0.0000 H 0 0 0
- 6.0650 1.8644 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.5246 -0.7672 -0.0104 C 0 0 0
- -0.9460 -0.5691 -0.0147 C 0 0 0
- 1.3783 0.3336 0.0119 C 0 0 0
- 1.0569 -2.0551 -0.0229 C 0 0 0
- -1.6265 -0.4102 -1.2200 C 0 0 0
- -1.6522 -0.5472 1.1864 C 0 0 0
- 2.7455 0.1435 0.0158 C 0 0 0
- 0.8201 1.7044 0.0310 N 0 3 0
- 2.4252 -2.2335 -0.0189 C 0 0 0
- -2.9946 -0.2267 -1.2181 C 0 0 0
- -3.0198 -0.3632 1.1766 C 0 0 0
- 3.2683 -1.1367 -0.0025 C 0 0 0
- 1.5616 2.6653 -0.0708 O 0 0 0
- -0.3806 1.8715 0.1486 O 0 5 0
- -3.6898 -0.2006 -0.0228 C 0 0 0
- 0.4270 -2.8765 0.0000 H 0 0 0
- -1.4398 0.6079 0.0000 H 0 0 0
- -1.7374 -1.5788 0.0000 H 0 0 0
- 3.3806 0.9608 0.0000 H 0 0 0
- 2.8215 -3.1897 0.0000 H 0 0 0
- -2.9063 0.8046 0.0000 H 0 0 0
- -3.2111 -1.3805 0.0000 H 0 0 0
- 4.2941 -1.2748 0.0000 H 0 0 0
- -4.7151 -0.0584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 2 0
- 8 14 1 0
- 10 15 2 0
- 9 12 1 0
- 11 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93106-60-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- 1.0261 0.5217 -0.0698 C 0 0 0
- 2.0937 1.3900 -0.1602 N 0 0 0
- 1.2449 -0.8649 0.0218 C 0 0 0
- -0.2772 1.0049 -0.0622 C 0 0 0
- 1.8236 2.8268 -0.2535 C 0 0 0
- 3.3673 0.9750 -0.1660 C 0 0 0
- 2.6309 -1.3618 0.0188 C 0 0 0
- 0.1637 -1.7451 0.1138 C 0 0 0
- -1.3393 0.1202 0.0291 C 0 0 0
- 2.4726 3.5457 0.9309 C 0 0 0
- 3.1404 3.5819 -0.4452 C 0 0 0
- 3.7054 -0.3601 -0.0813 C 0 0 0
- 2.8785 -2.5528 0.0962 O 0 0 0
- -1.1116 -1.2561 0.1149 C 0 0 0
- -2.6444 0.6062 0.0371 N 0 0 0
- 5.1149 -0.7755 -0.0903 C 0 0 0
- -2.1577 -2.1064 0.2034 F 0 0 0
- -3.2683 0.1197 1.2738 C 0 0 0
- -3.3437 -0.0445 -1.0777 C 0 0 0
- 5.4329 -2.0829 -0.0070 O 0 0 0
- 5.9942 0.0599 -0.1728 O 0 0 0
- -4.7457 0.5133 1.2937 C 0 0 0
- -4.8212 0.3491 -1.0577 C 0 0 0
- -5.4450 -0.1374 0.1789 N 0 0 0
- -6.8217 0.3752 0.1873 C 0 0 0
- -7.6114 -0.2654 -0.9558 C 0 0 0
- -0.4517 2.0230 0.0000 H 0 0 0
- 0.8293 3.1066 0.0000 H 0 0 0
- 4.1217 1.6805 0.0000 H 0 0 0
- 0.3268 -2.7651 0.0000 H 0 0 0
- 2.6866 4.5562 0.0000 H 0 0 0
- 1.5524 4.0149 0.0000 H 0 0 0
- 3.9423 2.9308 0.0000 H 0 0 0
- 3.4594 4.5643 0.0000 H 0 0 0
- -3.7420 -0.7982 0.0000 H 0 0 0
- -2.4733 -0.5398 0.0000 H 0 0 0
- -3.7905 -0.9758 0.0000 H 0 0 0
- -2.5117 -0.6567 0.0000 H 0 0 0
- 5.6770 -3.0866 0.0000 H 0 0 0
- -4.2989 1.4446 0.0000 H 0 0 0
- -5.5777 1.1255 0.0000 H 0 0 0
- -4.3475 1.2670 0.0000 H 0 0 0
- -5.6163 1.0085 0.0000 H 0 0 0
- -6.2959 1.2643 0.0000 H 0 0 0
- -7.6039 1.0498 0.0000 H 0 0 0
- -8.2621 0.5368 0.0000 H 0 0 0
- -8.4136 -0.9161 0.0000 H 0 0 0
- -6.9607 -1.0676 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 16 21 2 0
- 18 22 1 0
- 19 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 7 12 1 0
- 9 14 1 0
- 10 11 1 0
- 23 24 1 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 22 40 1 0
- 22 41 1 0
- 23 42 1 0
- 23 43 1 0
- 25 44 1 0
- 25 45 1 0
- 26 46 1 0
- 26 47 1 0
- 26 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-934-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.8554 0.1422 0.1550 C 0 0 0
- -2.6125 0.2315 0.2521 S 0 0 0
- -0.0900 1.2578 0.4396 C 0 0 0
- -0.2427 -1.0448 -0.2001 C 0 0 0
- -2.9968 0.7338 -1.4480 C 0 0 0
- -2.9207 -1.1454 0.4204 O 0 0 0
- 1.2881 1.1882 0.3640 C 0 0 0
- 1.1358 -1.1157 -0.2761 C 0 0 0
- 1.9019 0.0017 0.0034 C 0 0 0
- 3.6331 -0.0865 -0.0917 Cl 0 0 0
- -0.5448 2.1769 0.0000 H 0 0 0
- -0.7985 -1.9066 0.0000 H 0 0 0
- -2.1823 1.3569 0.0000 H 0 0 0
- -3.6199 1.5483 0.0000 H 0 0 0
- -3.8113 0.1107 0.0000 H 0 0 0
- 1.8432 2.0505 0.0000 H 0 0 0
- 1.5903 -2.0350 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 8 9 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52278-77-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.7558 -0.6678 0.4746 C 0 0 2
- -0.6610 -0.3588 0.2665 N 0 0 0
- 1.5076 0.5616 0.5711 O 0 0 0
- 1.3176 -1.3766 -0.7778 C 0 0 0
- -1.5883 -1.3175 0.4437 C 0 0 0
- -1.0345 0.9027 -0.1012 C 0 0 0
- 2.8670 0.2033 0.2404 C 0 0 1
- 2.7384 -0.7903 -0.9354 C 0 0 1
- -2.8832 -1.0658 0.2618 N 0 0 0
- -1.2364 -2.4375 0.7767 O 0 0 0
- -2.3501 1.1747 -0.2904 C 0 0 0
- 3.6238 1.4489 -0.2250 C 0 0 0
- 3.7035 -1.8335 -0.7852 O 0 0 0
- -3.2955 0.1414 -0.1004 C 0 0 0
- -2.7531 2.4226 -0.6570 O 0 0 0
- 3.6649 2.4054 0.8359 O 0 0 0
- -4.6372 0.3881 -0.2851 N 0 0 0
- 0.2245 -1.5197 0.0000 H 0 0 0
- 0.4763 -1.9245 0.0000 H 0 0 0
- 1.7850 -2.2651 0.0000 H 0 0 0
- -0.3550 1.6418 0.0000 H 0 0 0
- 3.8144 -0.1290 0.0000 H 0 0 0
- 3.6948 -0.4851 0.0000 H 0 0 0
- 4.2464 0.6613 0.0000 H 0 0 0
- 4.5790 1.7580 0.0000 H 0 0 0
- 4.3853 -2.5705 0.0000 H 0 0 0
- -3.0616 3.3780 0.0000 H 0 0 0
- 3.7080 3.4084 0.0000 H 0 0 0
- -4.9737 1.3340 0.0000 H 0 0 0
- -5.2881 -0.3762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 7 8 1 0
- 11 14 1 0
- 1 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-76-03-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.1386 -0.0254 0.0000 C 0 0 0
- -1.3167 0.3658 0.0000 C 0 0 0
- 0.4984 -1.0022 1.4722 Cl 0 0 0
- 0.4984 -1.0022 -1.4721 Cl 0 0 0
- 1.1603 1.4602 0.0000 Cl 0 0 0
- -2.2666 -0.5826 0.0000 O 0 0 0
- -1.6285 1.5331 0.0000 O 0 0 0
- -2.9434 -1.2584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-612-22-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.3759 -1.9802 0.4167 C 0 0 0
- 0.9409 -2.4217 -0.9349 C 0 0 0
- -0.5509 -0.8091 0.2154 C 0 0 0
- -0.0332 0.4624 0.0558 C 0 0 0
- -1.9188 -1.0075 0.1846 C 0 0 0
- 1.4315 0.6739 0.0827 N 0 3 0
- -0.8835 1.5368 -0.1293 C 0 0 0
- -2.7689 0.0666 0.0000 C 0 0 0
- 2.0682 0.3993 1.0840 O 0 0 0
- 2.0001 1.1225 -0.8966 O 0 5 0
- -2.2512 1.3393 -0.1543 C 0 0 0
- -0.6277 -2.2101 0.0000 H 0 0 0
- 0.1522 -2.9852 0.0000 H 0 0 0
- 0.3069 -3.2330 0.0000 H 0 0 0
- 1.7522 -3.0557 0.0000 H 0 0 0
- 1.5749 -1.6104 0.0000 H 0 0 0
- -2.2994 -1.9642 0.0000 H 0 0 0
- -0.5026 2.4934 0.0000 H 0 0 0
- -3.7882 -0.0787 0.0000 H 0 0 0
- -2.8857 2.1502 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 2 0
- 10 6 1 0
- 11 7 2 0
- 8 11 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 2 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-834-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 2.5979 0.1636 -0.4971 C 0 0 0
- 1.1884 0.1720 -1.0302 C 0 0 0
- 3.3907 -0.9573 -0.6572 C 0 0 0
- 3.1001 1.2791 0.1470 C 0 0 0
- 0.2325 -0.3435 0.0475 C 0 0 0
- 4.6838 -0.9650 -0.1682 C 0 0 0
- 4.3928 1.2714 0.6359 C 0 0 0
- -1.1377 -0.3354 -0.4707 N 0 0 0
- 5.1838 0.1481 0.4808 C 0 0 0
- -2.1758 -0.7593 0.3245 C 0 0 0
- -3.4660 -0.7517 -0.1634 N 0 0 0
- -1.9411 -1.1683 1.5387 N 0 0 0
- -4.2171 0.4040 -0.1090 C 0 0 0
- -5.4676 0.4385 -0.6787 N 0 0 0
- -3.7413 1.4627 0.4822 N 0 0 0
- 1.5317 1.0767 0.0000 H 0 0 0
- 0.4606 0.8097 0.0000 H 0 0 0
- 2.9434 -1.8154 0.0000 H 0 0 0
- 2.5772 2.0933 0.0000 H 0 0 0
- -0.1108 -1.2482 0.0000 H 0 0 0
- 0.9603 -0.9812 0.0000 H 0 0 0
- 5.2071 -1.7790 0.0000 H 0 0 0
- 4.8410 2.1290 0.0000 H 0 0 0
- -1.3213 0.6147 0.0000 H 0 0 0
- 6.1470 0.2405 0.0000 H 0 0 0
- -3.9301 -1.6008 0.0000 H 0 0 0
- -1.4595 -2.0076 0.0000 H 0 0 0
- -5.9281 1.2895 0.0000 H 0 0 0
- -5.9744 -0.3859 0.0000 H 0 0 0
- -3.3446 2.3453 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 9 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28622-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.0521 -0.3682 -0.0647 C 0 0 0
- -1.3620 -0.3803 -0.0427 C 0 0 0
- 0.7300 0.8326 0.0827 C 0 0 0
- 0.8200 -1.6149 -0.2361 C 0 0 0
- -2.0584 0.8408 0.1338 C 0 0 0
- -2.0864 -1.5709 -0.1917 C 0 0 0
- 0.0287 2.0202 0.2555 C 0 0 0
- 2.2366 0.8361 0.0523 C 0 0 0
- 2.0991 -1.6501 0.1180 C 0 0 0
- -1.3333 2.0361 0.2817 C 0 0 0
- -3.4637 0.8341 0.1573 C 0 0 0
- -3.4481 -1.5407 -0.1646 C 0 0 0
- 2.7714 -0.4402 0.6987 C 0 0 0
- 2.6856 0.9081 -1.3024 O 0 0 0
- -4.1346 -0.3411 0.0096 C 0 0 0
- 4.1815 -0.5280 0.4843 O 0 0 0
- 0.3014 -2.5141 0.0000 H 0 0 0
- -1.5878 -2.4813 0.0000 H 0 0 0
- 0.5485 2.9186 0.0000 H 0 0 0
- 2.1530 1.8707 0.0000 H 0 0 0
- 2.6131 -2.5519 0.0000 H 0 0 0
- -1.8372 2.9436 0.0000 H 0 0 0
- -3.9870 1.7305 0.0000 H 0 0 0
- -3.9787 -2.4328 0.0000 H 0 0 0
- 1.7350 -0.3829 0.0000 H 0 0 0
- 3.7105 1.0724 0.0000 H 0 0 0
- -5.1726 -0.3416 0.0000 H 0 0 0
- 5.2175 -0.5925 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 1 0
- 7 10 2 0
- 9 13 1 0
- 12 15 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-493-52-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -2.2900 -0.6177 -0.0018 C 0 0 0
- -3.3099 0.3566 -0.0011 C 0 0 0
- -0.9786 -0.2397 -0.0008 N 0 0 0
- -2.6314 -1.9707 0.0022 C 0 0 0
- -4.6448 -0.0460 -0.0017 C 0 0 0
- -2.9668 1.7910 0.0007 C 0 0 0
- -0.0494 -1.1346 -0.0015 N 0 0 0
- -3.9592 -2.3469 0.0069 C 0 0 0
- -4.9606 -1.3899 -0.0030 C 0 0 0
- -3.9450 2.7178 0.0014 O 0 0 0
- -1.8022 2.1371 0.0016 O 0 0 0
- 1.2598 -0.7573 -0.0005 C 0 0 0
- 2.2699 -1.7270 -0.0012 C 0 0 0
- 1.5989 0.6012 -0.0045 C 0 0 0
- 3.5818 -1.3474 -0.0006 C 0 0 0
- 2.9236 0.9751 -0.0039 C 0 0 0
- 3.9207 0.0032 0.0007 C 0 0 0
- 5.2595 0.3826 0.0017 N 0 0 0
- 5.6183 1.8030 0.0030 C 0 0 0
- 6.3102 -0.6383 0.0014 C 0 0 0
- -1.8828 -2.6979 0.0000 H 0 0 0
- -5.4053 0.6687 0.0000 H 0 0 0
- -4.2106 -3.3598 0.0000 H 0 0 0
- -5.9611 -1.6870 0.0000 H 0 0 0
- -4.7026 3.4356 0.0000 H 0 0 0
- 2.0201 -2.7403 0.0000 H 0 0 0
- 0.8498 1.3278 0.0000 H 0 0 0
- 4.3329 -2.0720 0.0000 H 0 0 0
- 3.1805 1.9866 0.0000 H 0 0 0
- 6.6302 1.5474 0.0000 H 0 0 0
- 5.8739 2.8149 0.0000 H 0 0 0
- 4.6064 2.0586 0.0000 H 0 0 0
- 5.5829 -1.3868 0.0000 H 0 0 0
- 7.0587 -1.3656 0.0000 H 0 0 0
- 7.0375 0.1102 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 8 9 2 0
- 16 17 2 0
- 4 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-147-47-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.6968 0.5784 0.0432 C 0 0 0
- -0.4809 -0.7897 0.2746 C 0 0 0
- 0.4587 1.4961 0.0880 C 0 0 0
- -1.9829 1.0405 -0.2158 C 0 0 0
- 0.8233 -1.2177 0.5295 N 0 0 0
- -1.5442 -1.6726 0.2442 C 0 0 0
- 1.6902 1.0046 0.0358 C 0 0 0
- 0.2408 2.9837 0.1921 C 0 0 0
- -3.0364 0.1473 -0.2403 C 0 0 0
- 1.9326 -0.4764 -0.0844 C 0 0 0
- -2.8185 -1.2016 -0.0174 C 0 0 0
- 3.2389 -0.8366 0.6260 C 0 0 0
- 2.0382 -0.8532 -1.5636 C 0 0 0
- -2.1659 2.0513 0.0000 H 0 0 0
- 0.9626 -2.2354 0.0000 H 0 0 0
- -1.3710 -2.6851 0.0000 H 0 0 0
- 2.4911 1.6478 0.0000 H 0 0 0
- 1.2572 3.1326 0.0000 H 0 0 0
- 0.0919 4.0001 0.0000 H 0 0 0
- -0.7756 2.8348 0.0000 H 0 0 0
- -4.0000 0.5031 0.0000 H 0 0 0
- -3.6117 -1.8542 0.0000 H 0 0 0
- 2.9658 -1.8269 0.0000 H 0 0 0
- 4.2292 -1.1097 0.0000 H 0 0 0
- 3.5120 0.1537 0.0000 H 0 0 0
- 1.0491 -1.1304 0.0000 H 0 0 0
- 2.3154 -1.8423 0.0000 H 0 0 0
- 3.0273 -0.5760 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 10 12 1 0
- 10 13 1 0
- 7 10 1 0
- 9 11 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120812-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- 0.7027 -1.4164 -0.0003 C 0 0 0
- -0.7025 -1.4164 -0.0033 C 0 0 0
- 1.3957 -0.1891 0.0035 C 0 0 0
- 1.4033 -2.6434 0.0050 C 0 0 0
- -1.3953 -0.1893 -0.0051 C 0 0 0
- -1.4035 -2.6435 -0.0051 C 0 0 0
- 0.6738 1.0399 0.0047 C 0 0 0
- 2.7933 -0.2053 0.0063 C 0 0 0
- 2.8003 -2.6180 0.0079 C 0 0 0
- 0.6762 -3.8586 0.0076 C 0 0 0
- -0.6737 1.0397 -0.0061 C 0 0 0
- -2.7934 -0.2053 -0.0067 C 0 0 0
- -2.8002 -2.6180 -0.0071 C 0 0 0
- -0.6764 -3.8587 -0.0054 C 0 0 0
- 1.4883 2.3084 0.0253 C 0 0 0
- 3.4706 -1.4099 0.0058 C 0 0 0
- 3.5483 1.0684 0.0093 N 0 3 0
- -1.4887 2.3080 -0.0264 C 0 0 0
- -3.4705 -1.4095 -0.0082 C 0 0 0
- -3.5482 1.0684 -0.0074 N 0 3 0
- 0.6464 3.5038 -0.4126 C 0 0 0
- 3.8552 1.5970 -1.0442 O 0 0 0
- 3.8626 1.5876 1.0654 O 0 5 0
- -0.6470 3.5038 0.4106 C 0 0 0
- -3.8531 1.5963 1.0471 O 0 0 0
- -3.8643 1.5884 -1.0625 O 0 5 0
- 3.3419 -3.5190 0.0000 H 0 0 0
- 1.1948 -4.7731 0.0000 H 0 0 0
- -3.3419 -3.5190 0.0000 H 0 0 0
- -1.1949 -4.7732 0.0000 H 0 0 0
- 2.2926 1.6315 0.0000 H 0 0 0
- 2.2629 3.0191 0.0000 H 0 0 0
- 4.5219 -1.4069 0.0000 H 0 0 0
- -2.2635 3.0185 0.0000 H 0 0 0
- -2.2928 1.6308 0.0000 H 0 0 0
- -4.5218 -1.4064 0.0000 H 0 0 0
- 1.6109 3.9219 0.0000 H 0 0 0
- 0.4329 4.5332 0.0000 H 0 0 0
- -0.4336 4.5332 0.0000 H 0 0 0
- -1.6116 3.9218 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 11 18 1 0
- 12 19 2 0
- 12 20 1 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 18 24 1 0
- 20 25 2 0
- 20 26 1 0
- 7 11 2 0
- 9 16 2 0
- 10 14 2 0
- 13 19 1 0
- 21 24 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 24 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2540-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 2.2877 -0.0413 0.0853 P 0 0 0
- 0.5440 0.9175 -0.6458 S 0 0 0
- 3.5774 0.5204 -0.6978 O 0 0 0
- 2.4439 0.2567 1.6598 O 0 0 0
- 2.1469 -1.8793 -0.1880 S 0 0 0
- -0.7280 -0.1896 0.0226 C 0 0 0
- 4.6745 -0.3255 -0.3470 C 0 0 0
- 2.3342 1.6719 1.8251 C 0 0 0
- -2.0912 0.3093 -0.3822 C 0 0 0
- -3.1956 -0.3598 0.0038 N 0 0 0
- -2.1944 1.3128 -1.0553 O 0 0 0
- -4.5209 0.1251 -0.3897 C 0 0 0
- -5.5776 -0.7946 0.1656 C 0 0 0
- -6.4134 -0.3656 0.9243 O 0 0 0
- -1.2511 -1.1058 0.0000 H 0 0 0
- 0.0879 -0.8585 0.0000 H 0 0 0
- 4.0303 -1.1610 0.0000 H 0 0 0
- 5.5100 -0.9697 0.0000 H 0 0 0
- 5.3187 0.5100 0.0000 H 0 0 0
- 3.3861 1.7534 0.0000 H 0 0 0
- 2.2527 2.7238 0.0000 H 0 0 0
- 1.2823 1.5904 0.0000 H 0 0 0
- -3.0934 -1.4099 0.0000 H 0 0 0
- -3.9979 1.0414 0.0000 H 0 0 0
- -5.3368 0.7939 0.0000 H 0 0 0
- -5.4503 -1.8419 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 9 11 2 0
- 10 12 1 0
- 12 13 1 0
- 13 14 2 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.9284 0.7055 0.0481 C 0 0 0
- -0.9286 -0.7055 0.0473 C 0 0 0
- 0.3445 1.4356 0.1917 C 0 0 0
- -2.1323 1.3968 -0.0928 C 0 0 0
- 0.3442 -1.4360 0.1900 C 0 0 0
- -2.1331 -1.3963 -0.0897 C 0 0 0
- 1.6193 0.7033 0.0266 C 0 0 0
- 0.3464 2.6253 0.4425 O 0 0 0
- -3.3260 0.6885 -0.2334 C 0 0 0
- -2.1420 2.7528 -0.0926 O 0 0 0
- 1.6192 -0.7036 0.0263 C 0 0 0
- 0.3460 -2.6260 0.4389 O 0 0 0
- -3.3271 -0.6876 -0.2251 C 0 0 0
- -2.1431 -2.7523 -0.0907 O 0 0 0
- 2.8173 1.3932 -0.1277 C 0 0 0
- 2.8171 -1.3934 -0.1290 C 0 0 0
- 4.0002 0.6915 -0.2808 C 0 0 0
- 4.0000 -0.6917 -0.2817 C 0 0 0
- -4.2289 1.2031 0.0000 H 0 0 0
- -2.1494 3.7920 0.0000 H 0 0 0
- -4.2304 -1.2014 0.0000 H 0 0 0
- -2.1508 -3.7915 0.0000 H 0 0 0
- 2.8240 2.4324 0.0000 H 0 0 0
- 2.8238 -2.4326 0.0000 H 0 0 0
- 4.9033 1.2057 0.0000 H 0 0 0
- 4.9030 -1.2060 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 9 19 1 0
- 10 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-11-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -0.7311 0.1427 0.0243 C 0 0 0
- -1.8114 1.0151 0.0226 C 0 0 0
- 0.5375 0.6304 0.0529 O 0 0 0
- -0.9482 -1.2265 0.0026 C 0 0 0
- -3.1002 0.5168 -0.0060 C 0 0 0
- -1.5434 2.7299 0.0569 Cl 0 0 0
- 1.4141 -0.4982 0.0469 C 0 0 0
- -2.2386 -1.7206 -0.0207 C 0 0 0
- -3.3138 -0.8502 -0.0330 C 0 0 0
- 2.8441 -0.0237 0.0778 C 0 0 0
- -4.9335 -1.4739 -0.0683 Cl 0 0 0
- 3.8473 -0.9156 0.0779 O 0 0 0
- 3.0876 1.1595 0.1024 O 0 0 0
- 5.2251 -0.4584 0.1077 C 0 0 0
- 6.0913 -1.4961 0.8246 C 0 0 0
- 5.7318 -0.2726 -1.3239 C 0 0 0
- -0.1422 -1.8799 0.0000 H 0 0 0
- -3.9080 1.1680 0.0000 H 0 0 0
- 0.5279 -1.0379 0.0000 H 0 0 0
- 1.8501 -1.4397 0.0000 H 0 0 0
- -2.4013 -2.7454 0.0000 H 0 0 0
- 4.8831 0.5212 0.0000 H 0 0 0
- 5.2947 -2.1610 0.0000 H 0 0 0
- 6.7562 -2.2927 0.0000 H 0 0 0
- 6.8879 -0.8312 0.0000 H 0 0 0
- 6.0890 -1.2468 0.0000 H 0 0 0
- 6.7060 0.0846 0.0000 H 0 0 0
- 5.3746 0.7016 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 8 9 2 0
- 4 17 1 0
- 5 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-46-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 1.0282 -0.5992 -0.1104 C 0 0 0
- -0.1160 0.3126 0.3374 C 0 0 0
- 2.3630 0.0015 0.3350 C 0 0 0
- -1.3828 -0.2574 -0.0853 O 0 0 0
- 3.5072 -0.9103 -0.1128 C 0 0 0
- 2.5360 1.3844 -0.2964 C 0 0 0
- -2.4254 0.3166 0.1734 N 0 0 0
- -3.4881 -0.1616 -0.1812 O 0 0 0
- 0.2560 -1.3037 0.0000 H 0 0 0
- 1.6021 -1.4728 0.0000 H 0 0 0
- 0.6562 1.0171 0.0000 H 0 0 0
- -0.6899 1.1862 0.0000 H 0 0 0
- 3.3311 0.3958 0.0000 H 0 0 0
- 2.8558 -1.7277 0.0000 H 0 0 0
- 4.3246 -1.5617 0.0000 H 0 0 0
- 4.1586 -0.0929 0.0000 H 0 0 0
- 3.5732 1.2546 0.0000 H 0 0 0
- 2.6658 2.4216 0.0000 H 0 0 0
- 1.4988 1.5142 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 1 0
- 4 7 1 0
- 7 8 2 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93957-55-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 58 1 V2000
- -2.9037 -0.0964 0.1675 C 0 0 0
- -3.6757 -1.2231 0.7098 C 0 0 0
- -1.7461 -0.6333 -0.3623 C 0 0 0
- -3.2925 1.3311 0.1805 C 0 0 0
- -2.9149 -2.3797 0.4640 C 0 0 0
- -4.9074 -1.3228 1.3593 C 0 0 0
- -1.7587 -1.9972 -0.1821 N 0 0 0
- -0.6738 0.1298 -1.0143 C 0 0 0
- -3.0396 2.1154 1.3066 C 0 0 0
- -3.9083 1.8995 -0.9358 C 0 0 0
- -3.4052 -3.6159 0.8754 C 0 0 0
- -5.3697 -2.5466 1.7544 C 0 0 0
- -0.6977 -2.9104 -0.6140 C 0 0 0
- 0.0685 0.9757 -0.3030 C 0 0 0
- -3.4042 3.4459 1.3134 C 0 0 0
- -4.2687 3.2306 -0.9184 C 0 0 0
- -4.6231 -3.6920 1.5150 C 0 0 0
- -0.1518 -3.6676 0.5982 C 0 0 0
- -1.2644 -3.9084 -1.6259 C 0 0 0
- 1.1686 1.7587 -0.9720 C 0 0 2
- -4.0204 4.0036 0.2049 C 0 0 0
- 2.5086 1.4168 -0.3173 C 0 0 0
- 0.9122 3.1573 -0.8298 O 0 0 0
- -4.3758 5.3070 0.2169 F 0 0 0
- 2.9815 0.0472 -0.8088 C 0 0 2
- 4.2055 -0.3896 -0.0012 C 0 0 0
- 3.3291 0.1316 -2.1923 O 0 0 0
- 4.6713 -1.7385 -0.4853 C 0 0 0
- 5.6436 -2.2716 0.0316 O 0 0 0
- 4.0772 -2.3006 -1.3953 O 0 0 0
- 15.1689 1.7834 1.8919 Na 0 3 0
- -5.4992 -0.5365 0.0000 H 0 0 0
- -0.0142 -0.6006 0.0000 H 0 0 0
- -2.0557 2.0935 0.0000 H 0 0 0
- -4.7499 1.3894 0.0000 H 0 0 0
- -2.8272 -4.4124 0.0000 H 0 0 0
- -6.3481 -2.6529 0.0000 H 0 0 0
- 0.0275 -2.2451 0.0000 H 0 0 0
- -0.5911 1.7060 0.0000 H 0 0 0
- -2.5659 3.9614 0.0000 H 0 0 0
- -5.2526 3.2534 0.0000 H 0 0 0
- -5.0647 -4.5715 0.0000 H 0 0 0
- -0.9501 -4.2431 0.0000 H 0 0 0
- 0.4237 -4.4659 0.0000 H 0 0 0
- 0.6465 -3.0921 0.0000 H 0 0 0
- -2.1202 -3.4225 0.0000 H 0 0 0
- -1.7503 -4.7642 0.0000 H 0 0 0
- -0.4086 -4.3943 0.0000 H 0 0 0
- 1.3490 0.7913 0.0000 H 0 0 0
- 3.4833 1.5525 0.0000 H 0 0 0
- 2.5634 2.3994 0.0000 H 0 0 0
- 0.7347 4.1253 0.0000 H 0 0 0
- 2.2820 -0.6451 0.0000 H 0 0 0
- 5.1839 -0.2841 0.0000 H 0 0 0
- 4.3210 0.5877 0.0000 H 0 0 0
- 4.2854 0.3638 0.0000 H 0 0 0
- 3.3623 -2.9770 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 13 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 2 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 25 26 1 0
- 25 27 1 0
- 26 28 1 0
- 28 29 2 0
- 28 30 1 0
- 5 7 1 0
- 12 17 1 0
- 16 21 1 0
- 6 32 1 0
- 8 33 1 0
- 9 34 1 0
- 10 35 1 0
- 11 36 1 0
- 12 37 1 0
- 13 38 1 0
- 14 39 1 0
- 15 40 1 0
- 16 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 19 48 1 0
- 20 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 25 53 1 0
- 26 54 1 0
- 26 55 1 0
- 27 56 1 0
- 30 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-637-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.4286 -0.6388 0.0000 O 0 0 0
- -0.8526 -0.0058 0.0000 C 0 0 0
- 1.4048 0.4048 0.0000 C 0 0 0
- -0.9904 0.8667 -1.2493 C 0 0 0
- -1.9488 -1.0732 0.0000 C 0 0 0
- -0.9904 0.8667 1.2492 C 0 0 0
- 2.8066 -0.2082 0.0000 C 0 0 0
- 1.9425 1.3320 0.0000 H 0 0 0
- 0.5444 1.0438 0.0000 H 0 0 0
- 0.0682 1.0339 0.0000 H 0 0 0
- -1.1576 1.9253 0.0000 H 0 0 0
- -2.0490 0.6995 0.0000 H 0 0 0
- -2.6965 -0.3053 0.0000 H 0 0 0
- -2.7167 -1.8209 0.0000 H 0 0 0
- -1.2011 -1.8411 0.0000 H 0 0 0
- 0.0682 1.0339 0.0000 H 0 0 0
- -1.1576 1.9253 0.0000 H 0 0 0
- -2.0490 0.6995 0.0000 H 0 0 0
- 2.3772 -1.1902 0.0000 H 0 0 0
- 3.7886 -0.6376 0.0000 H 0 0 0
- 3.2360 0.7738 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1120-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- 0.5931 -0.3808 -0.1038 C 0 0 0
- -0.6499 0.5077 -0.0234 C 0 0 0
- 1.8479 0.4846 0.0287 C 0 0 0
- -1.9047 -0.3577 -0.1560 C 0 0 0
- 3.0909 -0.4039 -0.0517 C 0 0 0
- -3.1477 0.5308 -0.0756 C 0 0 0
- 4.3457 0.4615 0.0808 C 0 0 0
- -4.4025 -0.3346 -0.2081 C 0 0 0
- 5.5887 -0.4269 0.0004 C 0 0 0
- -5.6455 0.5538 -0.1277 C 0 0 0
- 6.8435 0.4384 0.1330 C 0 0 0
- -6.8815 -0.2985 -0.2583 C 0 0 0
- 8.0865 -0.4500 0.0526 C 0 0 0
- -7.7644 -0.3244 0.7091 C 0 0 0
- -0.1744 -1.2280 0.0000 H 0 0 0
- 1.3463 -1.2408 0.0000 H 0 0 0
- 0.1176 1.3549 0.0000 H 0 0 0
- -1.4031 1.3677 0.0000 H 0 0 0
- 2.6154 1.3318 0.0000 H 0 0 0
- 1.0947 1.3446 0.0000 H 0 0 0
- -2.6722 -1.2049 0.0000 H 0 0 0
- -1.1515 -1.2177 0.0000 H 0 0 0
- 2.3234 -1.2511 0.0000 H 0 0 0
- 3.8441 -1.2639 0.0000 H 0 0 0
- -2.3802 1.3780 0.0000 H 0 0 0
- -3.9009 1.3908 0.0000 H 0 0 0
- 5.1132 1.3088 0.0000 H 0 0 0
- 3.5925 1.3215 0.0000 H 0 0 0
- -5.1700 -1.1819 0.0000 H 0 0 0
- -3.6493 -1.1946 0.0000 H 0 0 0
- 4.8212 -1.2742 0.0000 H 0 0 0
- 6.3418 -1.2870 0.0000 H 0 0 0
- -4.8780 1.4011 0.0000 H 0 0 0
- -6.3986 1.4139 0.0000 H 0 0 0
- 7.6110 1.2857 0.0000 H 0 0 0
- 6.0904 1.2985 0.0000 H 0 0 0
- -6.5257 -1.3849 0.0000 H 0 0 0
- 7.4218 -1.3801 0.0000 H 0 0 0
- 9.0166 -1.1147 0.0000 H 0 0 0
- 8.7512 0.4801 0.0000 H 0 0 0
- -8.3648 0.6485 0.0000 H 0 0 0
- -8.3067 -1.3308 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 13 11 1 0
- 14 12 2 0
- 1 15 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-476-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.8647 0.7327 -0.0025 C 0 0 0
- -0.8647 -0.7327 -0.0016 C 0 0 0
- 0.3431 1.4364 -0.0023 C 0 0 0
- -2.1046 1.4127 0.0023 C 0 0 0
- 0.3431 -1.4363 0.0000 C 0 0 0
- -2.1045 -1.4127 -0.0019 C 0 0 0
- 1.5519 0.7332 -0.0012 C 0 0 0
- 0.3426 2.7950 -0.0036 O 0 0 0
- -3.2645 0.6967 0.0076 C 0 0 0
- -2.1395 2.7715 0.0021 O 0 0 0
- 1.5519 -0.7330 0.0007 C 0 0 0
- 0.3427 -2.7949 0.0012 O 0 0 0
- -3.2645 -0.6969 -0.0030 C 0 0 0
- -2.1393 -2.7715 -0.0016 O 0 0 0
- 2.7886 1.4111 -0.0005 C 0 0 0
- 2.7885 -1.4111 0.0018 C 0 0 0
- 3.9439 0.6976 0.0010 C 0 0 0
- 3.9439 -0.6976 0.0021 C 0 0 0
- 0.3422 3.8424 0.0000 H 0 0 0
- -4.1792 1.2070 0.0000 H 0 0 0
- -2.1664 3.8185 0.0000 H 0 0 0
- 0.3424 -3.8423 0.0000 H 0 0 0
- -4.1791 -1.2073 0.0000 H 0 0 0
- -2.1661 -3.8185 0.0000 H 0 0 0
- 2.8157 2.4581 0.0000 H 0 0 0
- 2.8155 -2.4581 0.0000 H 0 0 0
- 4.8586 1.2078 0.0000 H 0 0 0
- 4.8586 -1.2078 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 11 1 0
- 9 13 2 0
- 17 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-92-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- 1.2287 0.2930 -0.1859 C 0 0 0
- 2.5033 0.6995 0.2695 C 0 0 0
- 0.9921 -1.0359 -0.4537 C 0 0 0
- 0.2139 1.2332 -0.3574 N 0 0 0
- 3.5184 -0.2731 0.4425 C 0 0 0
- 2.7592 1.9826 0.5370 N 0 0 0
- 1.9976 -1.9901 -0.2809 C 0 0 0
- -0.4765 1.3390 -1.6452 C 0 0 0
- 3.2477 -1.6218 0.1618 C 0 0 0
- 4.7863 0.1378 0.8964 C 0 0 0
- 3.9382 2.3694 0.9602 C 0 0 0
- 1.7385 -3.2962 -0.5523 O 0 0 0
- -1.9462 1.6923 -1.4084 C 0 0 0
- 0.1815 2.4332 -2.4882 C 0 0 0
- 4.9808 1.4657 1.1509 C 0 0 0
- 2.9412 -4.0201 -0.2847 C 0 0 0
- -2.6043 0.5982 -0.5653 C 0 0 0
- -4.0740 0.9514 -0.3284 C 0 0 0
- -4.7057 -0.0991 0.4810 N 0 0 0
- -5.3488 0.5734 1.6178 C 0 0 0
- -5.7841 -0.6707 -0.3364 C 0 0 0
- -4.8084 -0.0074 2.9261 C 0 0 0
- -5.5686 -2.1783 -0.4830 C 0 0 0
- 0.0407 -1.3487 0.0000 H 0 0 0
- 0.6492 2.1351 0.0000 H 0 0 0
- -0.6696 0.3563 0.0000 H 0 0 0
- 3.9865 -2.2980 0.0000 H 0 0 0
- 5.5514 -0.5085 0.0000 H 0 0 0
- 4.1358 3.3512 0.0000 H 0 0 0
- -1.6143 2.6372 0.0000 H 0 0 0
- -2.8525 2.1186 0.0000 H 0 0 0
- 1.0398 1.9171 0.0000 H 0 0 0
- 0.6976 3.2915 0.0000 H 0 0 0
- -0.6768 2.9493 0.0000 H 0 0 0
- 5.9196 1.8144 0.0000 H 0 0 0
- 2.4247 -4.8782 0.0000 H 0 0 0
- 3.7993 -4.5366 0.0000 H 0 0 0
- 3.4577 -3.1620 0.0000 H 0 0 0
- -2.9362 -0.3467 0.0000 H 0 0 0
- -1.6980 0.1720 0.0000 H 0 0 0
- -3.7422 1.8963 0.0000 H 0 0 0
- -4.9803 1.3776 0.0000 H 0 0 0
- -5.0637 1.5335 0.0000 H 0 0 0
- -6.3239 0.3447 0.0000 H 0 0 0
- -6.1484 0.2622 0.0000 H 0 0 0
- -6.7527 -0.9254 0.0000 H 0 0 0
- -5.5416 -0.6896 0.0000 H 0 0 0
- -4.1262 -0.7406 0.0000 H 0 0 0
- -4.0752 0.6748 0.0000 H 0 0 0
- -6.5600 -2.3200 0.0000 H 0 0 0
- -5.4269 -3.1697 0.0000 H 0 0 0
- -4.5772 -2.0366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 7 9 2 0
- 11 15 2 0
- 3 24 1 0
- 4 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
- 23 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 0.6341 -0.4280 0.0000 C 0 0 0
- -0.6341 0.4280 0.0000 C 0 0 0
- 1.8638 0.4823 0.0000 C 0 0 0
- -1.8638 -0.4823 0.0000 C 0 0 0
- 3.1319 -0.3737 0.0000 C 0 0 0
- -3.1319 0.3737 0.0000 C 0 0 0
- 4.3617 0.5366 0.0000 C 0 0 0
- -4.3617 -0.5366 0.0000 C 0 0 0
- 5.6298 -0.3194 0.0000 C 0 0 0
- -5.6298 0.3194 0.0000 C 0 0 0
- -0.1113 -1.3004 0.0000 H 0 0 0
- 1.4167 -1.2672 0.0000 H 0 0 0
- 0.1113 1.3004 0.0000 H 0 0 0
- -1.4167 1.2672 0.0000 H 0 0 0
- 2.6092 1.3547 0.0000 H 0 0 0
- 1.0812 1.3215 0.0000 H 0 0 0
- -2.6092 -1.3547 0.0000 H 0 0 0
- -1.0812 -1.3215 0.0000 H 0 0 0
- 2.3865 -1.2461 0.0000 H 0 0 0
- 3.9145 -1.2129 0.0000 H 0 0 0
- -2.3865 1.2461 0.0000 H 0 0 0
- -3.9145 1.2129 0.0000 H 0 0 0
- 5.1071 1.4090 0.0000 H 0 0 0
- 3.5791 1.3758 0.0000 H 0 0 0
- -5.1071 -1.4090 0.0000 H 0 0 0
- -3.5791 -1.3758 0.0000 H 0 0 0
- 4.9878 -1.2705 0.0000 H 0 0 0
- 6.5809 -0.9614 0.0000 H 0 0 0
- 6.2718 0.6317 0.0000 H 0 0 0
- -4.9878 1.2705 0.0000 H 0 0 0
- -6.5809 0.9614 0.0000 H 0 0 0
- -6.2718 -0.6317 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1825-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.0019 -1.4850 0.1394 C 0 0 0
- -1.2024 -0.7894 0.1020 C 0 0 0
- 1.2002 -0.7933 0.1015 C 0 0 0
- -0.0040 -2.8424 0.2186 O 0 0 0
- -1.1985 0.5920 0.0271 C 0 0 0
- -2.7080 -1.6524 0.1486 Cl 0 0 0
- 1.2004 0.5886 0.0266 C 0 0 0
- 2.7032 -1.6607 0.1487 Cl 0 0 0
- -0.0083 -3.3344 -1.1230 C 0 0 0
- 0.0022 1.2807 -0.0106 C 0 0 0
- -2.6997 1.4625 -0.0203 Cl 0 0 0
- 2.7043 1.4545 -0.0208 Cl 0 0 0
- 0.0048 3.0141 -0.1052 Cl 0 0 0
- -1.0484 -3.3253 0.0000 H 0 0 0
- -0.0174 -4.3745 0.0000 H 0 0 0
- 1.0318 -3.3435 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
- 7 10 2 0
- 9 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33100-27-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- 3.0739 -0.2669 -0.4263 C 0 0 0
- 1.8483 -0.9344 0.2007 C 0 0 0
- 3.1100 1.1115 -0.0513 O 0 0 0
- 1.7779 -2.2966 -0.2254 O 0 0 0
- 1.8446 1.4118 0.5408 C 0 0 0
- 0.7045 -2.9010 0.4988 C 0 0 0
- 1.0967 2.4176 -0.3367 C 0 0 0
- -0.5527 -2.9187 -0.3731 C 0 0 0
- -0.0304 2.9278 0.3783 O 0 0 0
- -1.6586 -2.4100 0.3754 O 0 0 0
- -1.1787 2.6939 -0.4395 C 0 0 0
- -2.3303 -1.4710 -0.4667 C 0 0 0
- -2.2365 1.9410 0.3700 C 0 0 0
- -2.8042 -0.2821 0.3716 C 0 0 0
- -2.7978 0.8998 -0.4317 O 0 0 0
- 3.3729 -1.1581 0.0000 H 0 0 0
- 4.0036 -0.1276 0.0000 H 0 0 0
- 1.5568 -0.0407 0.0000 H 0 0 0
- 0.9164 -1.0580 0.0000 H 0 0 0
- 0.9611 1.0907 0.0000 H 0 0 0
- 1.8989 0.4733 0.0000 H 0 0 0
- 0.3881 -3.7862 0.0000 H 0 0 0
- 1.4231 -3.5070 0.0000 H 0 0 0
- 1.9989 2.6815 0.0000 H 0 0 0
- 1.1627 3.3553 0.0000 H 0 0 0
- -1.2312 -3.5694 0.0000 H 0 0 0
- -0.1959 -3.7884 0.0000 H 0 0 0
- -1.0072 3.6182 0.0000 H 0 0 0
- -1.9712 3.1995 0.0000 H 0 0 0
- -3.2684 -1.4111 0.0000 H 0 0 0
- -2.7866 -2.2929 0.0000 H 0 0 0
- -2.4669 2.8524 0.0000 H 0 0 0
- -3.1694 2.0567 0.0000 H 0 0 0
- -3.6698 0.0846 0.0000 H 0 0 0
- -3.4760 -0.9396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 15 1 0
- 1 16 1 0
- 1 17 1 0
- 2 18 1 0
- 2 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-140-56-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 1.8343 -1.7078 0.2783 S 0 0 0
- 0.4364 -0.8260 0.3802 N 0 0 0
- 2.7402 -1.1021 1.1904 O 0 0 0
- 1.4335 -3.0709 0.3003 O 0 0 0
- 2.4215 -1.4717 -1.1059 O 0 0 0
- -0.5424 -1.1329 -0.3165 N 0 0 0
- -1.6969 -0.4047 -0.2325 C 0 0 0
- -2.8014 -0.7495 -1.0173 C 0 0 0
- -1.7772 0.6823 0.6425 C 0 0 0
- -3.9620 -0.0147 -0.9299 C 0 0 0
- -2.9411 1.4130 0.7251 C 0 0 0
- -4.0369 1.0705 -0.0614 C 0 0 0
- -5.2122 1.8115 0.0246 N 0 0 0
- -5.2928 2.9539 0.9381 C 0 0 0
- -6.3686 1.4488 -0.7986 C 0 0 0
- 11.1783 3.0568 -0.3263 Na 0 3 0
- -2.9147 -1.6099 0.0000 H 0 0 0
- -1.0338 1.1299 0.0000 H 0 0 0
- -4.7074 -0.4591 0.0000 H 0 0 0
- -2.8296 2.2736 0.0000 H 0 0 0
- -4.4272 3.0150 0.0000 H 0 0 0
- -5.3539 3.8195 0.0000 H 0 0 0
- -6.1584 2.8928 0.0000 H 0 0 0
- -6.6283 2.2768 0.0000 H 0 0 0
- -7.1966 1.1891 0.0000 H 0 0 0
- -6.1089 0.6208 0.0000 H 0 0 0
- 3.2267 -1.1480 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 2 0
- 1 5 1 0
- 2 6 2 0
- 6 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 2 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 11 12 2 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 14 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
- 5 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5408-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.9147 0.0602 -0.0032 C 0 0 0
- -0.5160 -0.3004 -0.0025 C 0 0 0
- 0.9527 1.4618 -0.0008 C 0 0 0
- 2.0963 -0.6727 -0.0006 C 0 0 0
- -1.2137 0.9153 0.0003 C 0 0 0
- -1.2091 -1.5062 -0.0044 C 0 0 0
- -0.3164 1.9255 0.0012 O 0 0 0
- 2.1838 2.1061 -0.0004 C 0 0 0
- 3.3091 -0.0155 -0.0017 C 0 0 0
- -2.6036 0.8989 0.0015 C 0 0 0
- -2.5881 -1.5026 -0.0035 C 0 0 0
- 3.3499 1.3694 -0.0024 C 0 0 0
- 4.5696 -0.7915 0.0015 N 0 3 0
- -3.2808 -0.3022 0.0000 C 0 0 0
- 5.6412 -0.2125 0.0005 O 0 0 0
- 4.5353 -2.0090 0.0052 O 0 5 0
- -4.7610 -0.3096 0.0014 N 0 3 0
- -5.3647 -1.3675 0.0001 O 0 0 0
- -5.3752 0.7421 0.0038 O 0 5 0
- 2.0659 -1.7114 0.0000 H 0 0 0
- -0.6899 -2.4063 0.0000 H 0 0 0
- 2.2260 3.1444 0.0000 H 0 0 0
- -3.1330 1.7930 0.0000 H 0 0 0
- -3.1089 -2.4018 0.0000 H 0 0 0
- 4.2673 1.8575 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85068-73-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -1.5048 0.4705 -0.1037 N 0 0 0
- -0.6138 1.2293 -0.9851 C 0 0 0
- -1.4325 -0.9282 -0.0705 N 0 3 0
- -2.4671 1.1747 0.7473 C 0 0 0
- 0.7961 1.2482 -0.3912 C 0 0 0
- -2.1732 -1.5591 0.6622 O 0 0 0
- -0.6290 -1.5135 -0.7743 O 0 5 0
- -3.8805 0.9653 0.2002 C 0 0 0
- 1.3288 -0.0778 -0.3864 O 0 0 0
- 2.6276 0.0049 0.1715 N 0 3 0
- 3.3048 -1.0006 0.2896 O 0 0 0
- 3.0676 1.0815 0.5332 O 0 5 0
- -0.3630 2.1032 0.0000 H 0 0 0
- -1.3781 1.7218 0.0000 H 0 0 0
- -1.7573 1.7429 0.0000 H 0 0 0
- -2.8304 2.0082 0.0000 H 0 0 0
- 1.6750 1.4812 0.0000 H 0 0 0
- 0.6726 2.1490 0.0000 H 0 0 0
- -4.0137 1.8647 0.0000 H 0 0 0
- -4.7799 0.8321 0.0000 H 0 0 0
- -3.7473 0.0659 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-643-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-174175 1 V2000
- -8.6154 -0.0599 -1.6833 C 0 0 1
- -9.7216 0.6750 -0.8710 C 0 0 2
- -7.7768 -0.7130 -0.6773 O 0 0 0
- -9.2487 -1.2486 -2.4566 C 0 0 2
- -9.0559 1.8451 -0.1468 C 0 0 2
- -10.4739 -0.2799 0.0300 C 0 0 0
- -6.4312 -0.6439 -1.1533 C 0 0 1
- -8.7145 -2.5553 -1.8894 C 0 0 0
- -8.7529 -1.1243 -3.9145 C 0 0 0
- -10.6623 -1.1958 -2.4751 O 0 0 0
- -7.6738 1.8729 -0.6031 O 0 0 0
- -8.9956 1.8404 1.3808 C 0 0 2
- -5.5375 -1.5351 -0.2878 C 0 0 1
- -6.3834 -1.0834 -2.5094 O 0 0 0
- -9.8341 -3.4415 -1.3055 C 0 0 2
- -7.2580 3.2399 -0.5782 C 0 0 1
- -8.3630 0.5706 1.9353 C 0 0 0
- -10.4132 1.9811 1.9742 C 0 0 0
- -4.0914 -1.4248 -0.7843 C 0 0 2
- -5.6082 -1.1029 1.0725 O 0 0 0
- -5.0687 -0.8277 -2.9999 C 0 0 1
- -9.1804 -4.3206 -0.2441 C 0 0 0
- -10.2540 -4.4030 -2.4483 C 0 0 0
- -5.7670 3.3273 -0.9045 C 0 0 0
- -7.9915 3.9800 -1.5489 O 0 0 0
- -9.0750 -0.3458 2.5426 O 0 0 0
- -7.1565 0.4856 1.7844 O 0 0 0
- -4.0635 -1.7339 -2.2855 C 0 0 0
- -3.2527 -2.3957 -0.0688 N 0 0 0
- -5.0233 -1.1022 -4.5044 C 0 0 0
- -9.7640 -4.3385 1.1805 C 0 0 1
- -8.2200 -4.9887 -0.5027 O 0 0 0
- -5.3040 4.7793 -0.7719 C 0 0 2
- -7.7090 5.3513 -1.3896 C 0 0 2
- -8.7194 -1.3692 3.5308 C 0 0 1
- -3.7084 -3.7306 -0.4792 C 0 0 0
- -1.8876 -2.2376 -0.5880 C 0 0 0
- -8.9066 -3.2627 1.9190 C 0 0 2
- -11.2099 -3.8385 0.9782 C 0 0 0
- -6.2524 5.7191 -1.5006 C 0 0 2
- -3.9942 4.8946 -1.3549 O 0 0 0
- -5.2025 5.1541 0.7098 C 0 0 0
- -8.3762 5.9345 -0.1538 C 0 0 0
- -9.6213 -2.5950 3.0944 C 0 0 1
- -7.2748 -1.8567 3.2069 C 0 0 0
- -8.7809 -2.2215 0.9050 O 0 0 0
- -5.8632 5.8470 -2.8695 O 0 0 0
- -3.1653 3.9307 -0.7022 C 0 0 0
- -9.6878 -3.5396 4.2917 C 0 0 0
- -10.8864 -2.0318 2.8143 O 0 0 0
- -6.3188 -1.3832 4.3036 C 0 0 0
- 25.0884 -0.9906 -1.2580 C 0 0 0
- 23.9969 -1.0434 -0.1872 C 0 0 0
- 26.3157 -1.7654 -0.7738 C 0 0 0
- 22.7696 -0.2686 -0.6713 C 0 0 0
- 27.4072 -1.7126 -1.8446 C 0 0 0
- 21.6781 -0.3214 0.3995 C 0 0 0
- 28.6160 -2.4758 -1.3677 C 0 0 0
- 20.4508 0.4534 -0.0847 C 0 0 0
- 29.7043 -2.5650 -2.1483 O 0 0 0
- 28.6055 -3.0073 -0.2827 O 0 0 0
- 19.3593 0.4006 0.9861 C 0 0 0
- 18.1320 1.1754 0.5020 C 0 0 0
- 17.0405 1.1227 1.5728 C 0 0 0
- 15.8132 1.8974 1.0886 C 0 0 0
- 14.7217 1.8447 2.1594 C 0 0 0
- 13.4944 2.6195 1.6753 C 0 0 0
- 12.4028 2.5667 2.7461 C 0 0 0
- 11.1756 3.3415 2.2619 C 0 0 0
- 10.0840 3.2887 3.3327 C 0 0 0
- 8.8568 4.0635 2.8486 C 0 0 0
- -8.0462 0.7307 0.0000 H 0 0 0
- -10.5299 1.2188 0.0000 H 0 0 0
- -9.5541 2.6823 0.0000 H 0 0 0
- -11.2391 0.3230 0.0000 H 0 0 0
- -11.0768 -1.0451 0.0000 H 0 0 0
- -9.7087 -0.8828 0.0000 H 0 0 0
- -6.0822 0.2657 0.0000 H 0 0 0
- -8.1841 -3.3724 0.0000 H 0 0 0
- -7.8513 -2.1038 0.0000 H 0 0 0
- -8.5160 -2.0693 0.0000 H 0 0 0
- -7.8079 -0.8874 0.0000 H 0 0 0
- -8.9898 -0.1793 0.0000 H 0 0 0
- -11.6358 -1.1594 0.0000 H 0 0 0
- -8.4425 2.6424 0.0000 H 0 0 0
- -5.8751 -2.4489 0.0000 H 0 0 0
- -10.6058 -2.8469 0.0000 H 0 0 0
- -6.9097 4.1497 0.0000 H 0 0 0
- -10.3170 2.9505 0.0000 H 0 0 0
- -11.3826 2.0773 0.0000 H 0 0 0
- -10.5094 1.0117 0.0000 H 0 0 0
- -3.7200 -0.5242 0.0000 H 0 0 0
- -5.7655 -0.1415 0.0000 H 0 0 0
- -4.8081 0.1110 0.0000 H 0 0 0
- -11.1468 -4.0131 0.0000 H 0 0 0
- -10.6439 -5.2958 0.0000 H 0 0 0
- -9.3612 -4.7929 0.0000 H 0 0 0
- -5.8292 2.3551 0.0000 H 0 0 0
- -4.8097 3.1469 0.0000 H 0 0 0
- -4.4952 -2.6072 0.0000 H 0 0 0
- -3.1058 -1.9127 0.0000 H 0 0 0
- -5.9844 -1.2612 0.0000 H 0 0 0
- -4.8643 -2.0633 0.0000 H 0 0 0
- -4.0622 -0.9432 0.0000 H 0 0 0
- -9.9107 -5.3016 0.0000 H 0 0 0
- -7.4817 6.2986 0.0000 H 0 0 0
- -8.0336 -0.6773 0.0000 H 0 0 0
- -4.6304 -3.4159 0.0000 H 0 0 0
- -4.0231 -4.6526 0.0000 H 0 0 0
- -2.7864 -4.0453 0.0000 H 0 0 0
- -1.7755 -3.2053 0.0000 H 0 0 0
- -0.9199 -2.1255 0.0000 H 0 0 0
- -1.9997 -1.2699 0.0000 H 0 0 0
- -8.0080 -3.6389 0.0000 H 0 0 0
- -10.8915 -2.9178 0.0000 H 0 0 0
- -12.1306 -3.5201 0.0000 H 0 0 0
- -11.5283 -4.7592 0.0000 H 0 0 0
- -6.5239 6.6547 0.0000 H 0 0 0
- -4.2622 4.8994 0.0000 H 0 0 0
- -4.9478 6.0944 0.0000 H 0 0 0
- -6.1428 5.4088 0.0000 H 0 0 0
- -7.7351 6.6680 0.0000 H 0 0 0
- -9.1097 6.5756 0.0000 H 0 0 0
- -9.0173 5.2010 0.0000 H 0 0 0
- -7.8146 -2.6677 0.0000 H 0 0 0
- -6.6312 -2.5880 0.0000 H 0 0 0
- -8.6641 -1.2543 0.0000 H 0 0 0
- -4.9377 6.1511 0.0000 H 0 0 0
- -3.9039 3.2955 0.0000 H 0 0 0
- -2.5301 3.1921 0.0000 H 0 0 0
- -2.4267 4.5659 0.0000 H 0 0 0
- -10.6596 -3.4712 0.0000 H 0 0 0
- -9.7562 -4.5114 0.0000 H 0 0 0
- -8.7160 -3.6080 0.0000 H 0 0 0
- -11.7764 -1.6356 0.0000 H 0 0 0
- -5.8864 -2.2562 0.0000 H 0 0 0
- -5.4458 -0.9508 0.0000 H 0 0 0
- -6.7512 -0.5102 0.0000 H 0 0 0
- 25.8410 -0.3721 0.0000 H 0 0 0
- 24.7378 -0.0817 0.0000 H 0 0 0
- 23.2443 -1.6619 0.0000 H 0 0 0
- 24.3475 -1.9523 0.0000 H 0 0 0
- 25.5631 -2.3839 0.0000 H 0 0 0
- 26.6663 -2.6743 0.0000 H 0 0 0
- 23.5222 0.3499 0.0000 H 0 0 0
- 22.4190 0.6403 0.0000 H 0 0 0
- 28.1599 -1.0941 0.0000 H 0 0 0
- 27.0566 -0.8037 0.0000 H 0 0 0
- 20.9255 -0.9399 0.0000 H 0 0 0
- 22.0287 -1.2303 0.0000 H 0 0 0
- 21.2034 1.0719 0.0000 H 0 0 0
- 20.1002 1.3623 0.0000 H 0 0 0
- 30.6752 -2.6446 0.0000 H 0 0 0
- 18.6067 -0.2179 0.0000 H 0 0 0
- 19.7099 -0.5083 0.0000 H 0 0 0
- 18.8847 1.7939 0.0000 H 0 0 0
- 17.7815 2.0844 0.0000 H 0 0 0
- 16.2879 0.5042 0.0000 H 0 0 0
- 17.3910 0.2138 0.0000 H 0 0 0
- 16.5658 2.5159 0.0000 H 0 0 0
- 15.4627 2.8063 0.0000 H 0 0 0
- 13.9690 1.2262 0.0000 H 0 0 0
- 15.0722 0.9357 0.0000 H 0 0 0
- 14.2470 3.2380 0.0000 H 0 0 0
- 13.1438 3.5284 0.0000 H 0 0 0
- 11.6501 1.9482 0.0000 H 0 0 0
- 12.7534 1.6578 0.0000 H 0 0 0
- 11.9283 3.9600 0.0000 H 0 0 0
- 10.8250 4.2504 0.0000 H 0 0 0
- 9.3313 2.6702 0.0000 H 0 0 0
- 10.4346 2.3798 0.0000 H 0 0 0
- 9.3769 4.8873 0.0000 H 0 0 0
- 8.0330 4.5836 0.0000 H 0 0 0
- 8.3367 3.2397 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 16 11 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 1 0
- 15 22 1 0
- 15 23 1 0
- 16 24 1 0
- 16 25 1 0
- 17 26 1 0
- 17 27 2 0
- 19 28 1 0
- 19 29 1 0
- 21 30 1 0
- 22 31 1 0
- 22 32 2 0
- 24 33 1 0
- 25 34 1 0
- 26 35 1 0
- 29 36 1 0
- 29 37 1 0
- 31 38 1 0
- 31 39 1 0
- 33 40 1 0
- 33 41 1 0
- 33 42 1 0
- 34 43 1 0
- 35 44 1 0
- 35 45 1 0
- 38 46 1 0
- 40 47 1 0
- 41 48 1 0
- 44 49 1 0
- 44 50 1 0
- 45 51 1 0
- 52 53 1 0
- 52 54 1 0
- 53 55 1 0
- 54 56 1 0
- 55 57 1 0
- 56 58 1 0
- 57 59 1 0
- 58 60 1 0
- 58 61 2 0
- 59 62 1 0
- 62 63 1 0
- 63 64 1 0
- 64 65 1 0
- 65 66 1 0
- 66 67 1 0
- 67 68 1 0
- 68 69 1 0
- 69 70 1 0
- 70 71 1 0
- 21 28 1 0
- 34 40 1 0
- 38 44 1 0
- 1 72 1 0
- 2 73 1 0
- 5 74 1 0
- 6 75 1 0
- 6 76 1 0
- 6 77 1 0
- 7 78 1 0
- 8 79 1 0
- 8 80 1 0
- 9 81 1 0
- 9 82 1 0
- 9 83 1 0
- 10 84 1 0
- 12 85 1 0
- 13 86 1 0
- 15 87 1 0
- 16 88 1 0
- 18 89 1 0
- 18 90 1 0
- 18 91 1 0
- 19 92 1 0
- 20 93 1 0
- 21 94 1 0
- 23 95 1 0
- 23 96 1 0
- 23 97 1 0
- 24 98 1 0
- 24 99 1 0
- 28100 1 0
- 28101 1 0
- 30102 1 0
- 30103 1 0
- 30104 1 0
- 31105 1 0
- 34106 1 0
- 35107 1 0
- 36108 1 0
- 36109 1 0
- 36110 1 0
- 37111 1 0
- 37112 1 0
- 37113 1 0
- 38114 1 0
- 39115 1 0
- 39116 1 0
- 39117 1 0
- 40118 1 0
- 42119 1 0
- 42120 1 0
- 42121 1 0
- 43122 1 0
- 43123 1 0
- 43124 1 0
- 45125 1 0
- 45126 1 0
- 46127 1 0
- 47128 1 0
- 48129 1 0
- 48130 1 0
- 48131 1 0
- 49132 1 0
- 49133 1 0
- 49134 1 0
- 50135 1 0
- 51136 1 0
- 51137 1 0
- 51138 1 0
- 52139 1 0
- 52140 1 0
- 53141 1 0
- 53142 1 0
- 54143 1 0
- 54144 1 0
- 55145 1 0
- 55146 1 0
- 56147 1 0
- 56148 1 0
- 57149 1 0
- 57150 1 0
- 59151 1 0
- 59152 1 0
- 60153 1 0
- 62154 1 0
- 62155 1 0
- 63156 1 0
- 63157 1 0
- 64158 1 0
- 64159 1 0
- 65160 1 0
- 65161 1 0
- 66162 1 0
- 66163 1 0
- 67164 1 0
- 67165 1 0
- 68166 1 0
- 68167 1 0
- 69168 1 0
- 69169 1 0
- 70170 1 0
- 70171 1 0
- 71172 1 0
- 71173 1 0
- 71174 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1640-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.5587 1.4755 -1.2591 C 0 0 0
- 1.1230 0.7225 -0.0005 C 0 0 0
- 1.5587 1.4777 1.2567 C 0 0 0
- -0.3729 0.5037 -0.0003 C 0 0 0
- 1.6818 -0.6861 0.0007 C 0 0 0
- -0.5384 -0.8835 -0.0011 C 0 0 0
- -1.4574 1.3447 0.0008 C 0 0 0
- 3.1407 -1.0637 0.0024 C 0 0 0
- 0.6882 -1.5006 -0.0004 N 0 0 0
- -1.8369 -1.4045 -0.0007 C 0 0 0
- -2.7389 0.8180 0.0012 C 0 0 0
- -2.9213 -0.5536 0.0005 C 0 0 0
- 2.4569 0.9558 0.0000 H 0 0 0
- 2.0784 2.3737 0.0000 H 0 0 0
- 0.6605 1.9952 0.0000 H 0 0 0
- 2.4576 0.9591 0.0000 H 0 0 0
- 2.0773 2.3766 0.0000 H 0 0 0
- 0.6598 1.9963 0.0000 H 0 0 0
- -1.3179 2.3730 0.0000 H 0 0 0
- 2.8807 -2.0684 0.0000 H 0 0 0
- 4.1454 -1.3237 0.0000 H 0 0 0
- 3.4007 -0.0590 0.0000 H 0 0 0
- -1.9836 -2.4318 0.0000 H 0 0 0
- -3.5609 1.4514 0.0000 H 0 0 0
- -3.8825 -0.9449 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 10 2 0
- 6 9 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 1 15 1 0
- 3 16 1 0
- 3 17 1 0
- 3 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-475-80-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.9167 0.2518 0.0259 C 0 0 0
- -0.4690 -0.0094 0.0066 C 0 0 0
- 1.3815 1.5743 0.0206 C 0 0 0
- 1.8461 -0.8812 0.0452 C 0 0 0
- -1.3771 1.0770 -0.0165 C 0 0 0
- -0.9350 -1.3405 0.0099 C 0 0 0
- 0.4744 2.6281 -0.0032 C 0 0 0
- 2.6451 2.0849 0.0348 O 0 0 0
- 1.3186 -2.1925 0.0419 C 0 0 0
- 3.2294 -0.6913 0.0670 C 0 0 0
- -0.8905 2.3809 -0.0209 C 0 0 0
- -2.8264 0.8287 -0.0353 C 0 0 0
- -0.0812 -2.3865 0.0321 C 0 0 0
- -2.3928 -1.5967 -0.0108 N 0 3 0
- 1.1723 3.8032 -0.0045 O 0 0 0
- 2.5128 3.4524 -0.3949 C 0 0 0
- 2.1995 -3.2837 0.0594 C 0 0 0
- 4.0606 -1.7748 0.0844 C 0 0 0
- -3.5914 1.2231 1.0025 O 0 0 0
- -3.3347 0.2679 -0.9865 O 0 0 0
- -3.0609 -1.3945 0.9873 O 0 0 0
- -2.9241 -2.0097 -1.0260 O 0 5 0
- 3.5457 -3.0661 0.0801 C 0 0 0
- 3.6258 0.2731 0.0000 H 0 0 0
- -1.5594 3.1808 0.0000 H 0 0 0
- -0.4624 -3.3571 0.0000 H 0 0 0
- 3.5553 3.4305 0.0000 H 0 0 0
- 2.6567 4.4851 0.0000 H 0 0 0
- 1.8266 -4.2575 0.0000 H 0 0 0
- 5.0935 -1.6319 0.0000 H 0 0 0
- -4.5182 1.7009 0.0000 H 0 0 0
- 4.1980 -3.8796 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 1 0
- 12 20 2 0
- 14 21 2 0
- 14 22 1 0
- 17 23 2 0
- 7 11 1 0
- 9 13 1 0
- 15 16 1 0
- 18 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 23 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-334-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 0.5476 -0.6280 0.0000 C 0 0 0
- -0.6532 0.3201 0.0000 C 0 0 0
- 1.8417 0.1881 0.0000 C 0 0 0
- -1.9474 -0.4961 0.0000 C 0 0 0
- 3.0426 -0.7600 0.0000 C 0 0 0
- -3.1482 0.4520 0.0000 C 0 0 0
- 4.3172 0.0439 0.0000 C 0 0 0
- -4.4424 -0.3641 0.0000 C 0 0 0
- 5.5050 -0.5814 0.0000 O 0 0 0
- 4.2701 1.2512 0.0000 O 0 0 0
- -5.6432 0.5840 0.0000 C 0 0 0
- -6.9373 -0.2322 0.0000 C 0 0 0
- -0.2607 -1.4425 0.0000 H 0 0 0
- 1.2655 -1.5232 0.0000 H 0 0 0
- 0.1551 1.1346 0.0000 H 0 0 0
- -1.3711 1.2153 0.0000 H 0 0 0
- 2.6500 1.0026 0.0000 H 0 0 0
- 1.1238 1.0833 0.0000 H 0 0 0
- -2.7557 -1.3106 0.0000 H 0 0 0
- -1.2295 -1.3913 0.0000 H 0 0 0
- 2.2343 -1.5745 0.0000 H 0 0 0
- 3.7605 -1.6552 0.0000 H 0 0 0
- -2.3399 1.2664 0.0000 H 0 0 0
- -3.8661 1.3472 0.0000 H 0 0 0
- -5.2507 -1.1785 0.0000 H 0 0 0
- -3.7245 -1.2593 0.0000 H 0 0 0
- 6.5204 -1.1159 0.0000 H 0 0 0
- -4.8349 1.3985 0.0000 H 0 0 0
- -6.3611 1.4792 0.0000 H 0 0 0
- -7.5494 0.7384 0.0000 H 0 0 0
- -7.9079 -0.8443 0.0000 H 0 0 0
- -6.3252 -1.2028 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-38-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.7054 -0.6138 -0.0774 C 0 0 0
- -0.5346 0.0521 0.4613 C 0 0 0
- 1.8609 0.3891 -0.0840 C 0 0 0
- -1.5250 0.1296 -0.2252 O 0 0 0
- 0.0973 -1.4767 0.0000 H 0 0 0
- 1.4885 -1.3216 0.0000 H 0 0 0
- -0.2373 1.0650 0.0000 H 0 0 0
- 2.5528 -0.4081 0.0000 H 0 0 0
- 2.6581 1.0810 0.0000 H 0 0 0
- 1.1690 1.1863 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125579-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 88 89 1 V2000
- -4.5046 0.0931 -0.9911 C 0 0 0
- -3.3980 0.4637 -1.7718 C 0 0 0
- -4.4954 -1.1163 -0.3125 C 0 0 0
- -5.5773 0.9183 -0.8963 O 0 0 0
- -2.2940 -0.3929 -1.8579 C 0 0 0
- -3.3989 1.7416 -2.4940 C 0 0 0
- -3.4029 -1.9544 -0.4030 C 0 0 0
- -6.5231 0.2699 -0.0436 C 0 0 0
- -2.3018 -1.5950 -1.1746 C 0 0 0
- -2.2089 2.1350 -3.3308 C 0 0 0
- -4.3574 2.4810 -2.4173 O 0 0 0
- -7.7638 1.1526 0.1061 C 0 0 0
- -1.1978 -2.4542 -1.2597 N 0 0 0
- -8.7765 0.4583 1.0191 C 0 0 0
- -7.3894 2.4076 0.6776 O 0 0 0
- 0.0370 -1.9951 -0.9752 C 0 0 0
- -9.9677 1.3058 1.1628 N 0 0 0
- 1.1195 -2.7351 -1.2869 N 0 0 0
- 0.1744 -0.9133 -0.4373 O 0 0 0
- -10.8944 0.5852 2.0459 C 0 0 0
- 2.3857 -2.3555 -0.8210 C 0 0 0
- -12.1644 1.4162 2.2397 C 0 0 0
- -11.2569 -0.7609 1.4155 C 0 0 0
- -10.2270 0.3499 3.4024 C 0 0 0
- 3.1967 -3.2840 -0.1948 C 0 0 0
- 2.8254 -1.0465 -0.9950 C 0 0 0
- 4.4612 -2.9028 0.2695 C 0 0 0
- 4.0703 -0.6620 -0.5406 C 0 0 0
- 4.8946 -1.5788 0.0945 C 0 0 0
- 5.3289 -3.8815 0.9358 C 0 0 0
- 6.1182 -1.1988 0.5406 O 0 0 0
- 4.8592 -5.3013 1.1218 C 0 0 0
- 6.4239 -3.5475 1.3367 O 0 0 0
- 6.2636 0.1858 0.2185 C 0 0 0
- 7.6302 0.6800 0.6972 C 0 0 0
- 7.7858 2.1625 0.3524 C 0 0 0
- 7.7303 0.5070 2.1122 O 0 0 0
- 9.0979 2.6370 0.8121 N 0 0 0
- 9.1825 4.0587 0.4522 C 0 0 0
- 10.5321 4.6199 0.9045 C 0 0 0
- 9.0498 4.2096 -1.0646 C 0 0 0
- 8.0535 4.8274 1.1418 C 0 0 0
- -5.3757 -1.5547 0.0000 H 0 0 0
- -1.4094 0.0368 0.0000 H 0 0 0
- -3.5687 -2.9238 0.0000 H 0 0 0
- -7.1830 -0.4593 0.0000 H 0 0 0
- -5.8760 -0.4707 0.0000 H 0 0 0
- -1.9002 1.2013 0.0000 H 0 0 0
- -1.2752 2.4437 0.0000 H 0 0 0
- -2.5176 3.0687 0.0000 H 0 0 0
- -8.5585 1.7319 0.0000 H 0 0 0
- -1.3474 -3.4262 0.0000 H 0 0 0
- -9.4364 -0.2709 0.0000 H 0 0 0
- -8.1294 -0.2823 0.0000 H 0 0 0
- -7.1083 3.3500 0.0000 H 0 0 0
- -9.9886 2.2890 0.0000 H 0 0 0
- 0.9685 -3.7069 0.0000 H 0 0 0
- -11.6259 2.2391 0.0000 H 0 0 0
- -12.9873 1.9547 0.0000 H 0 0 0
- -12.7029 0.5933 0.0000 H 0 0 0
- -12.2065 -0.5052 0.0000 H 0 0 0
- -11.5126 -1.7105 0.0000 H 0 0 0
- -10.3073 -1.0166 0.0000 H 0 0 0
- -10.5540 -0.5776 0.0000 H 0 0 0
- -9.2995 0.0229 0.0000 H 0 0 0
- -9.9000 1.2774 0.0000 H 0 0 0
- 2.9249 -4.2291 0.0000 H 0 0 0
- 2.1386 -0.3426 0.0000 H 0 0 0
- 4.3321 0.2860 0.0000 H 0 0 0
- 3.9255 -4.9924 0.0000 H 0 0 0
- 4.5503 -6.2350 0.0000 H 0 0 0
- 5.7929 -5.6102 0.0000 H 0 0 0
- 6.0716 1.1503 0.0000 H 0 0 0
- 5.2812 0.1407 0.0000 H 0 0 0
- 8.5920 0.8850 0.0000 H 0 0 0
- 7.5938 3.1270 0.0000 H 0 0 0
- 6.8034 2.1173 0.0000 H 0 0 0
- 8.2228 -0.3442 0.0000 H 0 0 0
- 9.8858 2.0484 0.0000 H 0 0 0
- 10.9097 3.7118 0.0000 H 0 0 0
- 11.4402 4.9975 0.0000 H 0 0 0
- 10.1545 5.5280 0.0000 H 0 0 0
- 9.7883 4.8590 0.0000 H 0 0 0
- 8.4004 4.9481 0.0000 H 0 0 0
- 8.3113 3.5602 0.0000 H 0 0 0
- 8.6070 5.6403 0.0000 H 0 0 0
- 7.2406 5.3809 0.0000 H 0 0 0
- 7.5000 4.0145 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 20 24 1 0
- 21 25 2 0
- 21 26 1 0
- 25 27 1 0
- 26 28 2 0
- 27 29 2 0
- 27 30 1 0
- 29 31 1 0
- 30 32 1 0
- 30 33 2 0
- 31 34 1 0
- 34 35 1 0
- 35 36 1 0
- 35 37 1 0
- 36 38 1 0
- 38 39 1 0
- 39 40 1 0
- 39 41 1 0
- 39 42 1 0
- 7 9 1 0
- 28 29 1 0
- 3 43 1 0
- 5 44 1 0
- 7 45 1 0
- 8 46 1 0
- 8 47 1 0
- 10 48 1 0
- 10 49 1 0
- 10 50 1 0
- 12 51 1 0
- 13 52 1 0
- 14 53 1 0
- 14 54 1 0
- 15 55 1 0
- 17 56 1 0
- 18 57 1 0
- 22 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 23 63 1 0
- 24 64 1 0
- 24 65 1 0
- 24 66 1 0
- 25 67 1 0
- 26 68 1 0
- 28 69 1 0
- 32 70 1 0
- 32 71 1 0
- 32 72 1 0
- 34 73 1 0
- 34 74 1 0
- 35 75 1 0
- 36 76 1 0
- 36 77 1 0
- 37 78 1 0
- 38 79 1 0
- 40 80 1 0
- 40 81 1 0
- 40 82 1 0
- 41 83 1 0
- 41 84 1 0
- 41 85 1 0
- 42 86 1 0
- 42 87 1 0
- 42 88 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19780-11-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 45 1 V2000
- 3.6653 0.0388 0.5101 C 0 0 0
- 3.8663 -1.1727 -0.4232 C 0 0 0
- 5.0542 0.3032 1.0495 C 0 0 0
- 3.1991 1.2430 -0.3105 C 0 0 0
- 5.3473 -1.4629 -0.3112 C 0 0 0
- 5.9048 -0.5861 0.5290 O 0 0 0
- 5.3476 1.1800 1.8273 O 0 0 0
- 1.8745 0.9280 -0.9566 C 0 0 0
- 5.9326 -2.3477 -0.8893 O 0 0 0
- 0.8233 1.6617 -0.6869 C 0 0 0
- -0.5012 1.3468 -1.3330 C 0 0 0
- -1.5361 1.0364 -0.2497 C 0 0 0
- -2.8809 0.7167 -0.9056 C 0 0 0
- -3.9157 0.4063 0.1777 C 0 0 0
- -5.2605 0.0865 -0.4782 C 0 0 0
- -6.2953 -0.2239 0.6051 C 0 0 0
- -7.6401 -0.5436 -0.0508 C 0 0 0
- -8.6749 -0.8540 1.0325 C 0 0 0
- -10.0197 -1.1737 0.3766 C 0 0 0
- 2.7379 -0.2148 0.0000 H 0 0 0
- 2.9058 -1.2161 0.0000 H 0 0 0
- 3.7950 -2.1315 0.0000 H 0 0 0
- 4.1105 1.5492 0.0000 H 0 0 0
- 2.9345 2.1673 0.0000 H 0 0 0
- 1.6949 -0.0165 0.0000 H 0 0 0
- 1.0030 2.6062 0.0000 H 0 0 0
- -0.2440 2.2732 0.0000 H 0 0 0
- -1.1880 2.0196 0.0000 H 0 0 0
- -1.7934 0.1100 0.0000 H 0 0 0
- -0.8493 0.3636 0.0000 H 0 0 0
- -2.6237 1.6431 0.0000 H 0 0 0
- -3.5677 1.3895 0.0000 H 0 0 0
- -4.1729 -0.5201 0.0000 H 0 0 0
- -3.2289 -0.2665 0.0000 H 0 0 0
- -5.0033 1.0129 0.0000 H 0 0 0
- -5.9473 0.7593 0.0000 H 0 0 0
- -6.5525 -1.1503 0.0000 H 0 0 0
- -5.6085 -0.8967 0.0000 H 0 0 0
- -7.3829 0.3828 0.0000 H 0 0 0
- -8.3269 0.1292 0.0000 H 0 0 0
- -8.9321 -1.7804 0.0000 H 0 0 0
- -7.9881 -1.5268 0.0000 H 0 0 0
- -10.2421 -0.2383 0.0000 H 0 0 0
- -10.9551 -1.3961 0.0000 H 0 0 0
- -9.7973 -2.1091 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 2 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 5 6 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 19 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1629-58-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.0160 0.0479 -0.0009 C 0 0 0
- -1.2446 0.8737 0.0011 C 0 0 0
- 1.3218 0.7066 0.0008 C 0 0 0
- -0.0524 -1.1635 0.0010 O 0 0 0
- -2.4617 -0.0535 -0.0013 C 0 0 0
- 2.4382 -0.0247 -0.0011 C 0 0 0
- -0.5437 1.7174 0.0000 H 0 0 0
- -2.0037 1.6655 0.0000 H 0 0 0
- 1.3836 1.8018 0.0000 H 0 0 0
- -3.1264 0.8190 0.0000 H 0 0 0
- -3.3342 -0.7182 0.0000 H 0 0 0
- -1.7970 -0.9260 0.0000 H 0 0 0
- 2.3765 -1.1199 0.0000 H 0 0 0
- 3.4175 0.4694 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2206-89-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 1.7984 -0.0541 -0.0011 C 0 0 0
- 0.6131 0.5879 0.0006 O 0 0 0
- 3.0505 0.7149 0.0004 C 0 0 0
- 1.8314 -1.2690 0.0013 O 0 0 0
- -0.6242 -0.1720 -0.0009 C 0 0 0
- 4.2207 0.0811 -0.0012 C 0 0 0
- -1.8137 0.7903 0.0014 C 0 0 0
- -3.3500 -0.1533 -0.0004 Cl 0 0 0
- 3.0209 1.8035 0.0000 H 0 0 0
- -1.4004 -0.9358 0.0000 H 0 0 0
- 0.0470 -1.0296 0.0000 H 0 0 0
- 4.2503 -1.0075 0.0000 H 0 0 0
- 5.1486 0.6511 0.0000 H 0 0 0
- -1.0375 1.5541 0.0000 H 0 0 0
- -2.4849 1.6479 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-127072-60-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -0.8440 -0.1839 -0.4263 C 0 0 0
- -2.0901 -0.0587 0.2380 C 0 0 0
- 0.3139 0.0013 0.2607 C 0 0 0
- -3.2288 -0.2409 -0.4377 C 0 0 0
- 1.5496 -0.1228 -0.3980 C 0 0 0
- -4.5535 -0.1078 0.2685 C 0 0 0
- 2.7125 0.0633 0.2920 C 0 0 0
- -5.3730 1.0037 -0.3901 C 0 0 0
- -5.2671 -1.3426 0.1790 O 0 0 0
- 3.9446 -0.0605 -0.3648 C 0 0 0
- -6.7179 1.1389 0.3268 C 0 0 0
- 5.1178 0.1272 0.3312 C 0 0 0
- 6.3484 0.0035 -0.3248 C 0 0 0
- 7.3843 0.1693 0.2898 O 0 0 0
- -0.8169 -1.1122 0.0000 H 0 0 0
- -2.1173 0.8696 0.0000 H 0 0 0
- 0.2867 0.9296 0.0000 H 0 0 0
- -3.2016 -1.1692 0.0000 H 0 0 0
- 1.5768 -1.0511 0.0000 H 0 0 0
- -4.0938 0.6992 0.0000 H 0 0 0
- 2.6853 0.9916 0.0000 H 0 0 0
- -4.5141 1.3569 0.0000 H 0 0 0
- -5.5072 1.9227 0.0000 H 0 0 0
- -5.7318 -2.1467 0.0000 H 0 0 0
- 3.9718 -0.9888 0.0000 H 0 0 0
- -6.6250 2.0630 0.0000 H 0 0 0
- -7.6420 1.2318 0.0000 H 0 0 0
- -6.8108 0.2148 0.0000 H 0 0 0
- 5.0907 1.0555 0.0000 H 0 0 0
- 6.3756 -0.9248 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 2 0
- 12 13 1 0
- 13 14 2 0
- 1 15 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-128-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.9629 0.7062 0.0461 C 0 0 0
- -0.9630 -0.7062 0.0450 C 0 0 0
- 0.3077 1.4356 0.1901 C 0 0 0
- -2.1699 1.3959 -0.0956 C 0 0 0
- 0.3075 -1.4361 0.1876 C 0 0 0
- -2.1708 -1.3954 -0.0921 C 0 0 0
- 1.5825 0.7033 0.0265 C 0 0 0
- 0.3093 2.6258 0.4401 O 0 0 0
- -3.3646 0.6824 -0.2370 C 0 0 0
- -2.1832 2.7823 -0.0965 N 0 0 0
- 1.5824 -0.7036 0.0253 C 0 0 0
- 0.3089 -2.6266 0.4361 O 0 0 0
- -3.3660 -0.6814 -0.2272 C 0 0 0
- -2.1846 -2.7818 -0.0937 N 0 0 0
- 2.7808 1.3933 -0.1269 C 0 0 0
- 2.7808 -1.3934 -0.1285 C 0 0 0
- 3.9635 0.6917 -0.2793 C 0 0 0
- 3.9635 -0.6918 -0.2795 C 0 0 0
- -4.2699 1.1968 0.0000 H 0 0 0
- -1.2865 3.3115 0.0000 H 0 0 0
- -3.0899 3.2942 0.0000 H 0 0 0
- -4.2719 -1.1948 0.0000 H 0 0 0
- -3.0915 -3.2934 0.0000 H 0 0 0
- -1.2881 -3.3114 0.0000 H 0 0 0
- 2.7876 2.4345 0.0000 H 0 0 0
- 2.7876 -2.4346 0.0000 H 0 0 0
- 4.8683 1.2070 0.0000 H 0 0 0
- 4.8683 -1.2071 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-79-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 55 1 V2000
- -1.8511 0.0565 0.3529 C 0 0 0
- -3.2254 0.0870 0.1968 C 0 0 0
- -1.1577 1.2352 0.0068 C 0 0 0
- -1.2503 -1.0586 0.8188 O 0 0 0
- -3.9007 1.2173 -0.2773 C 0 0 0
- -4.2613 -0.9680 0.4747 C 0 0 0
- 0.3154 1.2645 0.1358 C 0 0 0
- -1.8338 2.3660 -0.4573 C 0 0 0
- 0.0635 -1.1433 0.3034 C 0 0 0
- -5.2281 0.9976 -0.3542 O 0 0 0
- -3.1952 2.3829 -0.6075 C 0 0 0
- -5.5718 -0.1406 0.4596 C 0 0 0
- 0.8963 0.0427 0.8254 C 0 0 0
- 0.9976 2.1810 -0.2726 O 0 0 0
- 0.7949 -2.4161 0.7167 C 0 0 0
- -6.6587 -0.9337 -0.2192 C 0 0 0
- 2.3257 -0.1852 0.4150 C 0 0 0
- 1.9783 -2.5391 -0.0591 O 0 0 0
- -6.4889 -1.3729 -1.6508 C 0 0 0
- -7.7511 -1.2412 0.4351 C 0 0 0
- 2.7647 -1.4385 0.0248 C 0 0 0
- 3.1997 0.8901 0.4368 C 0 0 0
- 4.1067 -1.6017 -0.3298 C 0 0 0
- 4.5254 0.7260 0.0793 C 0 0 0
- 4.9795 -0.5326 -0.3042 C 0 0 0
- 5.3785 1.7859 0.1018 O 0 0 0
- 6.2821 -0.7089 -0.6530 O 0 0 0
- 4.6196 2.9179 0.5314 C 0 0 0
- 6.4359 -2.0888 -0.9910 C 0 0 0
- -4.8624 -1.7852 0.0000 H 0 0 0
- -3.4888 -1.6256 0.0000 H 0 0 0
- -1.3278 3.2453 0.0000 H 0 0 0
- -0.4726 -2.0046 0.0000 H 0 0 0
- -3.6878 3.2698 0.0000 H 0 0 0
- -6.3993 0.4463 0.0000 H 0 0 0
- 1.5042 0.8549 0.0000 H 0 0 0
- -0.1703 -2.7287 0.0000 H 0 0 0
- 0.9010 -3.4250 0.0000 H 0 0 0
- -7.4352 -1.7387 0.0000 H 0 0 0
- -6.1231 -2.3192 0.0000 H 0 0 0
- -5.5426 -1.0071 0.0000 H 0 0 0
- -8.4774 -0.5329 0.0000 H 0 0 0
- -8.0013 -2.2244 0.0000 H 0 0 0
- 2.8210 1.8313 0.0000 H 0 0 0
- 4.4854 -2.5429 0.0000 H 0 0 0
- 5.4623 3.4828 0.0000 H 0 0 0
- 4.0547 3.7606 0.0000 H 0 0 0
- 3.7769 2.3530 0.0000 H 0 0 0
- 5.4276 -2.2012 0.0000 H 0 0 0
- 6.5483 -3.0971 0.0000 H 0 0 0
- 7.4442 -1.9764 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 7 14 2 0
- 9 15 1 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 2 0
- 17 21 2 0
- 17 22 1 0
- 21 23 1 0
- 22 24 2 0
- 23 25 2 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 8 11 1 0
- 9 13 1 0
- 10 12 1 0
- 18 21 1 0
- 24 25 1 0
- 6 30 1 0
- 6 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 12 35 1 0
- 13 36 1 0
- 15 37 1 0
- 15 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 22 44 1 0
- 23 45 1 0
- 28 46 1 0
- 28 47 1 0
- 28 48 1 0
- 29 49 1 0
- 29 50 1 0
- 29 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111070-55-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.4931 0.1943 -0.0041 C 0 0 0
- -1.5825 -0.6004 -0.0041 O 0 0 0
- -0.9170 1.4924 0.0005 C 0 0 0
- 0.9007 -0.2560 -0.0028 C 0 0 0
- -2.6885 0.1597 0.0003 C 0 0 0
- -2.3225 1.4587 0.0033 C 0 0 0
- 1.8668 0.6168 -0.0030 N 0 0 0
- -4.0814 -0.3441 0.0010 N 0 3 0
- 3.1999 0.1861 -0.0017 N 0 0 0
- -5.0128 0.4407 0.0053 O 0 0 0
- -4.2953 -1.5432 -0.0027 O 0 5 0
- 4.2991 0.9846 -0.0017 C 0 0 0
- 3.6375 -1.1447 0.0058 N 0 0 0
- 5.3896 0.1810 -0.0004 C 0 0 0
- 4.9477 -1.1459 0.0044 C 0 0 0
- -0.3295 2.3231 0.0000 H 0 0 0
- 1.1139 -1.2509 0.0000 H 0 0 0
- -2.9464 2.2624 0.0000 H 0 0 0
- 4.3026 2.0021 0.0000 H 0 0 0
- 6.3594 0.4886 0.0000 H 0 0 0
- 5.5424 -1.9715 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 5 6 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 12 19 1 0
- 14 20 1 0
- 15 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42135-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.1087 -0.1579 -0.0029 C 0 0 0
- -1.4772 -0.7376 -0.0017 C 0 0 0
- -0.2147 1.2431 -0.0012 C 0 0 0
- 1.1468 -0.7485 -0.0002 C 0 0 0
- -2.4097 0.3127 0.0009 C 0 0 0
- -1.9264 -2.0509 -0.0026 C 0 0 0
- -1.6559 1.5888 0.0013 C 0 0 0
- 0.9344 2.0246 -0.0019 C 0 0 0
- 2.2856 0.0425 -0.0017 C 0 0 0
- -3.7709 0.0306 0.0021 C 0 0 0
- -3.2862 -2.3187 -0.0010 C 0 0 0
- -2.1298 2.7068 0.0036 O 0 0 0
- 2.1807 1.4195 -0.0043 C 0 0 0
- 3.6223 -0.5931 0.0012 N 0 3 0
- -4.2029 -1.2852 0.0007 C 0 0 0
- 4.6253 0.0980 -0.0002 O 0 0 0
- 3.7193 -1.8073 0.0050 O 0 5 0
- 1.2338 -1.7855 0.0000 H 0 0 0
- -1.2419 -2.8347 0.0000 H 0 0 0
- 0.8589 3.0625 0.0000 H 0 0 0
- -4.4640 0.8068 0.0000 H 0 0 0
- -3.6189 -3.3047 0.0000 H 0 0 0
- 3.0411 2.0049 0.0000 H 0 0 0
- -5.2219 -1.4962 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 14 16 2 0
- 14 17 1 0
- 5 7 1 0
- 9 13 2 0
- 11 15 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2940-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.8156 -0.3190 -0.0033 C 0 0 0
- -0.1777 -1.2268 -0.0028 C 0 0 0
- 0.4826 1.1157 -0.0019 C 0 0 0
- 2.2548 -0.7660 0.0009 C 0 0 0
- -1.5850 -0.8134 -0.0009 C 0 0 0
- -0.9644 1.5106 0.0001 C 0 0 0
- 1.3568 1.9570 -0.0019 O 0 0 0
- 2.3427 -2.1973 0.5342 C 0 0 0
- 2.8079 -0.7180 -1.4248 C 0 0 0
- 3.0750 0.1636 0.8976 C 0 0 0
- -1.9464 0.4942 0.0001 C 0 0 0
- -2.5491 -1.7621 -0.0005 O 0 0 0
- -1.2863 2.6823 0.0018 O 0 0 0
- -3.8030 -1.0768 0.0015 C 0 0 0
- 0.0564 -2.2388 0.0000 H 0 0 0
- 1.3059 -2.2610 0.0000 H 0 0 0
- 2.4064 -3.2341 0.0000 H 0 0 0
- 3.3795 -2.1336 0.0000 H 0 0 0
- 2.8977 -1.7528 0.0000 H 0 0 0
- 3.8427 -0.6282 0.0000 H 0 0 0
- 2.7181 0.3168 0.0000 H 0 0 0
- 3.8539 -0.5236 0.0000 H 0 0 0
- 3.7622 0.9425 0.0000 H 0 0 0
- 2.2961 0.8508 0.0000 H 0 0 0
- -2.9530 0.7504 0.0000 H 0 0 0
- -3.3048 -0.1653 0.0000 H 0 0 0
- -4.7145 -0.5786 0.0000 H 0 0 0
- -4.3012 -1.9883 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 12 14 1 0
- 6 11 1 0
- 2 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4016-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.6573 -0.0999 -0.5511 C 0 0 0
- -2.8453 -0.6854 0.2148 C 0 0 0
- -2.5652 0.7157 0.1923 O 0 0 0
- -0.3762 -0.3063 0.2595 C 0 0 0
- 0.7334 0.2406 -0.4558 O 0 0 0
- 1.8935 0.0179 0.3483 C 0 0 0
- 2.5145 -1.3323 -0.0153 C 0 0 0
- 2.9111 1.1320 0.0950 C 0 0 0
- -1.2333 0.7873 0.0000 H 0 0 0
- -3.8284 -0.7061 0.0000 H 0 0 0
- -2.6121 -1.6406 0.0000 H 0 0 0
- -0.8280 -1.1796 0.0000 H 0 0 0
- 0.3123 -1.0083 0.0000 H 0 0 0
- 1.2870 -0.7560 0.0000 H 0 0 0
- 1.6212 -1.7432 0.0000 H 0 0 0
- 2.9254 -2.2256 0.0000 H 0 0 0
- 3.4078 -0.9214 0.0000 H 0 0 0
- 3.6371 0.4689 0.0000 H 0 0 0
- 3.5742 1.8580 0.0000 H 0 0 0
- 2.1851 1.7951 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 1 0
- 2 3 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93793-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 55 1 V2000
- 2.7628 -1.5697 -1.1813 C 0 0 0
- 1.8349 -0.9864 -0.3401 C 0 0 0
- 4.2014 -1.6887 -0.7485 C 0 0 0
- 2.3715 -2.0496 -2.4173 C 0 0 0
- 0.5108 -0.8776 -0.7388 C 0 0 0
- 4.2749 -2.4580 0.5008 N 0 0 0
- 1.0510 -1.9471 -2.8150 C 0 0 0
- 0.1216 -1.3553 -1.9821 C 0 0 0
- -0.4039 -0.3046 0.0870 O 0 0 0
- 5.5902 -2.1825 1.0887 C 0 0 0
- 4.2531 -3.8756 0.1247 C 0 0 0
- -1.6578 -0.3403 -0.5974 C 0 0 0
- 5.7449 -2.9591 2.3977 C 0 0 0
- 4.3342 -4.7455 1.3806 C 0 0 0
- -2.7373 0.2931 0.2826 C 0 0 0
- 5.6526 -4.4602 2.1067 C 0 0 0
- -4.0799 0.2549 -0.4502 C 0 0 0
- -5.1135 0.8615 0.3924 N 0 0 0
- -6.3841 0.9387 -0.0502 C 0 0 0
- -7.4474 1.5626 0.8165 C 0 0 0
- -6.6719 0.5060 -1.1461 O 0 0 0
- -8.7215 1.5263 0.1211 O 0 0 0
- -9.8197 2.0303 0.7056 C 0 0 0
- -11.1421 1.9927 -0.0161 C 0 0 0
- -9.7480 2.5142 1.8105 O 0 0 0
- 13.5004 6.1579 0.0778 Cl 0 0 0
- 2.1294 -0.1025 0.0000 H 0 0 0
- 5.1325 -1.6552 0.0000 H 0 0 0
- 4.2231 -0.7573 0.0000 H 0 0 0
- 2.7383 -2.9060 0.0000 H 0 0 0
- 0.7560 -2.8308 0.0000 H 0 0 0
- -0.7982 -1.5038 0.0000 H 0 0 0
- 6.5033 -1.9975 0.0000 H 0 0 0
- 5.4022 -1.2700 0.0000 H 0 0 0
- 3.4368 -3.4266 0.0000 H 0 0 0
- 3.4740 -4.3865 0.0000 H 0 0 0
- -2.3686 -0.9426 0.0000 H 0 0 0
- -1.3246 -1.2104 0.0000 H 0 0 0
- 6.5630 -3.4049 0.0000 H 0 0 0
- 6.4954 -2.4070 0.0000 H 0 0 0
- 3.4108 -4.8691 0.0000 H 0 0 0
- 4.4946 -5.6632 0.0000 H 0 0 0
- -2.0265 0.8954 0.0000 H 0 0 0
- -3.0705 1.1632 0.0000 H 0 0 0
- 5.7656 -5.3850 0.0000 H 0 0 0
- 6.5838 -4.4322 0.0000 H 0 0 0
- -4.7907 -0.3473 0.0000 H 0 0 0
- -3.7468 -0.6152 0.0000 H 0 0 0
- -4.8420 1.7527 0.0000 H 0 0 0
- -6.7366 2.1649 0.0000 H 0 0 0
- -7.7806 2.4327 0.0000 H 0 0 0
- -11.1686 2.9240 0.0000 H 0 0 0
- -12.0734 1.9662 0.0000 H 0 0 0
- -11.1156 1.0614 0.0000 H 0 0 0
- 14.4321 6.1579 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 7 8 2 0
- 14 16 1 0
- 2 27 1 0
- 3 28 1 0
- 3 29 1 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 10 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 16 46 1 0
- 17 47 1 0
- 17 48 1 0
- 18 49 1 0
- 20 50 1 0
- 20 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
- 26 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-46-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.0329 0.9910 0.0018 C 0 0 0
- 0.3140 -0.1905 0.0005 C 0 0 0
- 2.4149 0.9590 0.0016 C 0 0 0
- 0.3097 2.3132 -0.0027 C 0 0 0
- 0.9784 -1.4040 -0.0011 C 0 0 0
- -1.5765 -0.1473 0.0002 Br 0 0 0
- 3.0783 -0.2536 0.0001 C 0 0 0
- 2.3600 -1.4350 -0.0013 C 0 0 0
- 2.9540 1.8450 0.0000 H 0 0 0
- 1.2196 2.8109 0.0000 H 0 0 0
- -0.1880 3.2231 0.0000 H 0 0 0
- -0.6002 1.8155 0.0000 H 0 0 0
- 0.4397 -2.2903 0.0000 H 0 0 0
- 4.1151 -0.2773 0.0000 H 0 0 0
- 2.8582 -2.3446 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16757-81-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.0806 -0.1222 -0.0013 C 0 0 0
- -1.4370 0.2486 -0.0010 C 0 0 0
- 0.9158 0.8702 0.0000 C 0 0 0
- 0.2843 -1.5397 0.0031 C 0 0 0
- -2.4434 -0.7428 -0.0019 C 0 0 0
- -1.7827 1.6197 0.0007 C 0 0 0
- 2.3158 0.4500 -0.0004 C 0 0 0
- 0.5471 2.2285 0.0021 C 0 0 0
- 1.6200 -1.9051 0.0024 C 0 0 0
- -0.7820 -2.5419 0.0077 C 0 0 0
- -3.7819 -0.3446 -0.0015 C 0 0 0
- -2.0766 -2.1567 -0.0027 C 0 0 0
- -0.7594 2.5940 0.0016 C 0 0 0
- -3.1363 1.9771 0.0011 C 0 0 0
- 2.6325 -0.9318 -0.0019 C 0 0 0
- 3.3489 1.3953 0.0003 C 0 0 0
- -4.1090 0.9993 -0.0008 C 0 0 0
- -4.8740 -1.3830 -0.0025 C 0 0 0
- 3.9868 -1.3213 -0.0027 C 0 0 0
- 4.6476 0.9814 -0.0004 C 0 0 0
- 4.9640 -0.3749 -0.0019 C 0 0 0
- 1.2957 2.9713 0.0000 H 0 0 0
- 1.8802 -2.9271 0.0000 H 0 0 0
- -0.5389 -3.5681 0.0000 H 0 0 0
- -2.8354 -2.8891 0.0000 H 0 0 0
- -1.0142 3.6174 0.0000 H 0 0 0
- -3.4124 2.9949 0.0000 H 0 0 0
- 3.1226 2.4254 0.0000 H 0 0 0
- -5.1249 1.2826 0.0000 H 0 0 0
- -5.6007 -0.6187 0.0000 H 0 0 0
- -5.6383 -2.1097 0.0000 H 0 0 0
- -4.1473 -2.1473 0.0000 H 0 0 0
- 4.2423 -2.3445 0.0000 H 0 0 0
- 5.4223 1.6970 0.0000 H 0 0 0
- 5.9758 -0.6725 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71382-50-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- -0.2051 0.1002 0.0772 C 0 0 0
- -1.6220 -0.2715 0.0730 C 0 0 0
- 0.2129 1.4414 0.1700 C 0 0 0
- 0.7550 -0.9273 -0.0090 C 0 0 0
- -2.6432 0.6793 0.1596 C 0 0 0
- -1.9662 -1.6415 -0.0225 C 0 0 0
- -0.8189 2.5435 0.2694 C 0 0 0
- 1.5253 1.7756 0.1732 C 0 0 0
- 2.1749 -0.5698 -0.0054 C 0 0 0
- 0.3538 -2.2722 -0.0965 C 0 0 0
- -2.3024 2.1470 0.2617 C 0 0 0
- -3.9490 0.2873 0.1518 C 0 0 0
- -0.9522 -2.6189 -0.1123 C 0 0 0
- -3.3194 -2.0139 -0.0274 C 0 0 0
- -1.6148 2.5720 -0.9649 N 0 0 0
- 2.5338 0.7946 0.0844 C 0 0 0
- 3.1734 -1.5446 -0.0879 C 0 0 0
- -4.2874 -1.0589 0.0582 C 0 0 0
- 3.8924 1.1463 0.0884 C 0 0 0
- 4.4855 -1.1694 -0.0818 C 0 0 0
- 4.8424 0.1725 0.0016 C 0 0 0
- -0.3829 3.5015 0.0000 H 0 0 0
- 1.7970 2.7925 0.0000 H 0 0 0
- 1.0867 -3.0277 0.0000 H 0 0 0
- -3.1574 2.7609 0.0000 H 0 0 0
- -4.7100 1.0145 0.0000 H 0 0 0
- -1.2165 -3.6378 0.0000 H 0 0 0
- -3.5849 -3.0324 0.0000 H 0 0 0
- -1.8843 3.5895 0.0000 H 0 0 0
- 2.9156 -2.5651 0.0000 H 0 0 0
- -5.3010 -1.3426 0.0000 H 0 0 0
- 4.1754 2.1601 0.0000 H 0 0 0
- 5.2367 -1.9067 0.0000 H 0 0 0
- 5.8605 0.4396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 12 18 1 0
- 16 19 1 0
- 17 20 2 0
- 19 21 2 0
- 7 11 1 0
- 9 16 2 0
- 10 13 2 0
- 11 15 1 0
- 14 18 2 0
- 20 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59863-59-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.0332 0.3039 0.4648 C 0 0 0
- -0.4899 -0.6924 -0.5804 C 0 0 0
- -0.0126 1.4622 0.4795 C 0 0 0
- -2.6383 0.9240 -0.0736 Cl 0 0 0
- 0.8115 -0.0489 -1.1057 C 0 0 0
- -0.1031 -2.2580 0.2259 Cl 0 0 0
- 1.2455 0.8584 -0.0179 N 0 0 0
- 2.4464 1.0740 0.4008 N 0 0 0
- 3.3848 0.4944 -0.1159 O 0 0 0
- -1.7234 -0.4829 0.0000 H 0 0 0
- -1.4654 -1.0716 0.0000 H 0 0 0
- 0.5247 2.3604 0.0000 H 0 0 0
- -0.8579 2.0794 0.0000 H 0 0 0
- 0.9756 -1.0826 0.0000 H 0 0 0
- 1.8472 -0.1995 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 7 8 1 0
- 8 9 2 0
- 5 7 1 0
- 1 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54-85-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2036 0.0977 -0.0010 C 0 0 0
- -1.2666 0.2803 -0.0002 C 0 0 0
- 1.0642 1.1993 0.0004 C 0 0 0
- 0.7688 -1.1813 0.0028 C 0 0 0
- -2.0792 -0.7950 -0.0015 N 0 0 0
- -1.7399 1.3995 0.0016 O 0 0 0
- 2.4289 0.9832 -0.0005 C 0 0 0
- 2.1445 -1.3055 0.0019 C 0 0 0
- -3.4348 -0.6267 -0.0008 N 0 0 0
- 2.9204 -0.2397 -0.0025 N 0 0 0
- 0.6866 2.1578 0.0000 H 0 0 0
- 0.1682 -2.0184 0.0000 H 0 0 0
- -1.6779 -1.7439 0.0000 H 0 0 0
- 3.0710 1.7889 0.0000 H 0 0 0
- 2.5700 -2.2438 0.0000 H 0 0 0
- -3.8361 0.3222 0.0000 H 0 0 0
- -4.0559 -1.4486 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.6831 -0.2697 0.3450 C 0 0 0
- -0.7746 -0.4550 0.6796 C 0 0 1
- 1.6360 -0.2377 1.3519 C 0 0 0
- 1.0875 -0.1353 -0.9694 C 0 0 0
- -1.5667 0.6433 0.0963 N 0 3 0
- -1.2922 -1.7706 0.0610 C 0 0 0
- 2.9650 -0.0652 0.9973 C 0 0 0
- 2.3613 0.0272 -1.2700 N 0 0 0
- -2.5290 0.0691 -0.8681 C 0 0 0
- -2.2941 1.3475 1.1606 C 0 0 0
- -0.6780 1.5789 -0.5931 O 0 5 0
- -2.7232 -1.3972 -0.4077 C 0 0 0
- 3.2938 0.0683 -0.3386 C 0 0 0
- -1.7325 -0.5754 0.0000 H 0 0 0
- 1.7144 -1.2000 0.0000 H 0 0 0
- 0.8732 0.8061 0.0000 H 0 0 0
- -1.5730 -2.6943 0.0000 H 0 0 0
- -0.3804 -2.0880 0.0000 H 0 0 0
- 3.2108 -0.9988 0.0000 H 0 0 0
- -2.8279 0.9871 0.0000 H 0 0 0
- -3.4904 -0.0192 0.0000 H 0 0 0
- -1.6226 2.0411 0.0000 H 0 0 0
- -2.9877 2.0190 0.0000 H 0 0 0
- -2.9656 0.6539 0.0000 H 0 0 0
- -3.6743 -1.2311 0.0000 H 0 0 0
- -2.9283 -2.3406 0.0000 H 0 0 0
- 4.2370 0.2741 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 13 2 0
- 9 12 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92078-92-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.5960 -0.3925 0.0000 N 0 0 0
- -0.3586 0.3989 0.0000 N 0 0 0
- 1.9696 0.1168 0.0000 C 0 0 0
- -1.6863 -0.0933 0.0000 O 0 0 0
- 2.3388 -0.8790 0.0000 H 0 0 0
- 2.9654 0.4860 0.0000 H 0 0 0
- 1.6004 1.1126 0.0000 H 0 0 0
- -2.6821 -0.4625 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90147-18-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -1.0753 0.0580 -0.0041 C 0 0 0
- -2.2257 -0.6476 -0.0035 O 0 0 0
- -1.4030 1.3985 -0.0012 C 0 0 0
- 0.2335 -0.4807 -0.0019 C 0 0 0
- -3.2665 0.1965 -0.0004 C 0 0 0
- -2.8042 1.4668 0.0012 C 0 0 0
- 1.3086 0.3482 -0.0028 C 0 0 0
- -4.6932 -0.1986 0.0016 N 0 3 0
- 2.6152 -0.1896 -0.0006 C 0 0 0
- -5.5616 0.6554 0.0045 O 0 0 0
- -4.9986 -1.3777 0.0004 O 0 5 0
- 3.6843 0.6346 -0.0014 O 0 0 0
- 2.7768 -1.3959 0.0021 O 0 0 0
- 4.8467 -0.1966 0.0013 C 0 0 0
- 6.1006 0.6801 0.0004 C 0 0 0
- 7.3451 -0.2100 0.0033 C 0 0 0
- -0.7497 2.1903 0.0000 H 0 0 0
- 0.3698 -1.4982 0.0000 H 0 0 0
- -3.3724 2.3218 0.0000 H 0 0 0
- 1.1723 1.3657 0.0000 H 0 0 0
- 4.1590 -0.9588 0.0000 H 0 0 0
- 5.5263 -0.9660 0.0000 H 0 0 0
- 6.7883 1.4422 0.0000 H 0 0 0
- 5.4211 1.4496 0.0000 H 0 0 0
- 6.7479 -1.0450 0.0000 H 0 0 0
- 8.1801 -0.8072 0.0000 H 0 0 0
- 7.9423 0.6250 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 5 6 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10125-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.1521 0.0841 -0.0287 C 0 0 0
- -1.6294 0.0022 -0.0049 C 0 0 0
- 0.4736 1.2769 -0.4098 C 0 0 0
- 0.6132 -1.0295 0.3354 C 0 0 0
- -2.2745 -1.1546 -0.4455 C 0 0 0
- -2.3839 1.0795 0.4637 C 0 0 0
- 1.8326 1.3590 -0.4338 C 0 0 0
- 1.9734 -0.9609 0.3157 C 0 0 0
- -3.6521 -1.2246 -0.4203 C 0 0 0
- -3.7604 0.9965 0.4836 C 0 0 0
- 2.6109 0.2372 -0.0732 C 0 0 0
- -4.3941 -0.1514 0.0405 C 0 0 0
- 3.9428 0.3109 -0.0951 N 0 0 0
- 4.6115 -0.6583 0.2164 O 0 0 0
- -0.0767 2.1279 0.0000 H 0 0 0
- 0.1641 -1.9380 0.0000 H 0 0 0
- -1.7393 -2.0151 0.0000 H 0 0 0
- -1.9433 1.9921 0.0000 H 0 0 0
- 2.2752 2.2707 0.0000 H 0 0 0
- 2.5169 -1.8162 0.0000 H 0 0 0
- -4.0998 -2.1338 0.0000 H 0 0 0
- -4.3015 1.8533 0.0000 H 0 0 0
- -5.4062 -0.2023 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 2 0
- 8 11 2 0
- 10 12 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56211-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- -0.1328 -1.4356 0.1570 C 0 0 0
- 0.6475 -1.1367 -0.9597 C 0 0 0
- -0.4400 -0.2109 1.3859 S 0 0 0
- -0.6654 -2.7015 0.2828 C 0 0 0
- 1.1988 0.1308 -1.1273 N 0 0 0
- 0.8609 -2.1407 -1.9045 C 0 0 0
- -1.3456 0.9825 0.6802 N 0 0 0
- -1.2918 -0.8279 2.3415 O 0 0 0
- 0.8221 0.3780 1.6681 O 0 0 0
- -0.4445 -3.6229 -0.6360 N 0 0 0
- 2.4654 0.4158 -0.6103 C 0 0 0
- 0.2968 -3.3823 -1.7015 C 0 0 0
- -2.5962 0.7164 0.2538 C 0 0 0
- 3.0673 1.6393 -0.8772 C 0 0 0
- 3.1231 -0.5212 0.1762 C 0 0 0
- -3.2942 1.6556 -0.4149 N 0 0 0
- -3.0946 -0.3708 0.4723 O 0 0 0
- 4.3187 1.9178 -0.3644 C 0 0 0
- 4.3748 -0.2361 0.6861 C 0 0 0
- -4.6535 1.3664 -0.8784 C 0 0 0
- 4.9732 0.9803 0.4138 C 0 0 0
- 4.9722 3.2446 -0.6533 C 0 0 0
- -5.6571 1.7596 0.2074 C 0 0 0
- -4.9394 2.1664 -2.1509 C 0 0 0
- -1.6212 -2.6235 0.0000 H 0 0 0
- 0.5877 0.8698 0.0000 H 0 0 0
- 1.8142 -2.2446 0.0000 H 0 0 0
- -1.0114 1.8813 0.0000 H 0 0 0
- 0.9356 -4.0975 0.0000 H 0 0 0
- 2.4746 2.3931 0.0000 H 0 0 0
- 2.7786 -1.4161 0.0000 H 0 0 0
- -2.9555 2.5527 0.0000 H 0 0 0
- 4.9694 -0.9885 0.0000 H 0 0 0
- -4.7319 0.4107 0.0000 H 0 0 0
- 5.9294 1.0532 0.0000 H 0 0 0
- 5.8325 2.8209 0.0000 H 0 0 0
- 5.3959 4.1049 0.0000 H 0 0 0
- 4.1119 3.6683 0.0000 H 0 0 0
- -5.3073 2.6525 0.0000 H 0 0 0
- -6.5500 2.1094 0.0000 H 0 0 0
- -6.0069 0.8667 0.0000 H 0 0 0
- -4.0364 2.4891 0.0000 H 0 0 0
- -5.2621 3.0694 0.0000 H 0 0 0
- -5.8424 1.8437 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 3 9 2 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 11 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 1 0
- 10 12 1 0
- 19 21 2 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54854-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 66 1 V2000
- 0.0909 -0.3668 0.7743 C 0 0 0
- -1.2020 0.2887 0.5466 C 0 0 0
- 1.2565 0.3628 0.4764 C 0 0 0
- 0.1661 -1.7411 1.3032 C 0 0 0
- -1.2337 1.6045 0.0457 C 0 0 0
- -2.3980 -0.3875 0.8242 C 0 0 0
- 1.1269 1.7246 -0.0404 C 0 0 0
- 2.5323 -0.2082 0.6727 C 0 0 0
- 0.1802 -2.8413 0.4214 C 0 0 0
- 0.2297 -1.9617 2.6796 C 0 0 0
- -0.0930 2.2719 -0.2286 O 0 0 0
- -2.4594 2.2182 -0.1673 C 0 0 0
- -3.5941 0.2299 0.6088 C 0 0 0
- 2.2499 2.4421 -0.3330 C 0 0 0
- 3.6436 0.5061 0.3820 C 0 0 0
- 0.1141 -2.6253 -1.0377 C 0 0 0
- 0.2573 -4.1336 0.9363 C 0 0 0
- 0.3057 -3.2503 3.1689 C 0 0 0
- -3.6342 1.5350 0.1131 C 0 0 0
- -4.8789 -0.4990 0.9074 C 0 0 0
- 3.5232 1.8678 -0.1359 C 0 0 0
- 5.0063 -0.1022 0.5916 C 0 0 0
- 0.1278 -3.6799 -1.8761 O 0 0 0
- 0.0473 -1.4968 -1.4822 O 0 0 0
- 0.3194 -4.3306 2.3023 C 0 0 0
- -4.8601 2.1538 -0.1018 N 0 0 0
- 4.6155 2.5662 -0.4211 N 0 0 0
- 0.0628 -3.4675 -3.3110 C 0 0 0
- -4.9086 3.5223 -0.6225 C 0 0 0
- 4.4974 3.9312 -0.9398 C 0 0 0
- 0.0942 -4.8184 -4.0285 C 0 0 0
- -6.3670 3.9623 -0.7653 C 0 0 0
- 5.1952 4.9018 0.0152 C 0 0 0
- -2.3788 -1.3935 0.0000 H 0 0 0
- 2.6079 -1.2115 0.0000 H 0 0 0
- 1.2214 -1.7917 0.0000 H 0 0 0
- -2.4909 3.2239 0.0000 H 0 0 0
- 2.1771 3.4456 0.0000 H 0 0 0
- -0.7322 -4.3162 0.0000 H 0 0 0
- 1.3112 -3.2143 0.0000 H 0 0 0
- -5.3754 0.3761 0.0000 H 0 0 0
- -5.7540 -0.9955 0.0000 H 0 0 0
- -4.3824 -1.3741 0.0000 H 0 0 0
- 4.5962 -1.0210 0.0000 H 0 0 0
- 5.9251 -0.5123 0.0000 H 0 0 0
- 5.4164 0.8166 0.0000 H 0 0 0
- 0.4787 -5.3241 0.0000 H 0 0 0
- -5.7075 1.6114 0.0000 H 0 0 0
- 0.8130 -2.7970 0.0000 H 0 0 0
- -0.8603 -3.0673 0.0000 H 0 0 0
- -3.9052 3.4479 0.0000 H 0 0 0
- -4.7250 4.5116 0.0000 H 0 0 0
- 3.8802 4.7258 0.0000 H 0 0 0
- 3.5606 3.5642 0.0000 H 0 0 0
- -0.9117 -4.8418 0.0000 H 0 0 0
- 0.1176 -5.8243 0.0000 H 0 0 0
- 1.1001 -4.7950 0.0000 H 0 0 0
- -6.0764 4.9256 0.0000 H 0 0 0
- -7.3303 4.2529 0.0000 H 0 0 0
- -6.6576 2.9990 0.0000 H 0 0 0
- 6.0121 4.3145 0.0000 H 0 0 0
- 5.7825 5.7187 0.0000 H 0 0 0
- 4.3783 5.4891 0.0000 H 0 0 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 2 0
- 13 20 1 0
- 14 21 1 0
- 15 22 1 0
- 16 23 1 0
- 16 24 2 0
- 17 25 2 0
- 19 26 1 0
- 21 27 2 0
- 23 28 1 0
- 26 29 1 0
- 27 30 1 0
- 28 31 1 0
- 29 32 1 0
- 30 33 1 0
- 7 11 1 0
- 13 19 1 0
- 15 21 1 0
- 18 25 1 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 6 34 1 0
- 8 35 1 0
- 10 36 1 0
- 12 37 1 0
- 14 38 1 0
- 17 39 1 0
- 18 40 1 0
- 20 41 1 0
- 20 42 1 0
- 20 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
- 25 47 1 0
- 26 48 1 0
- 28 49 1 0
- 28 50 1 0
- 29 51 1 0
- 29 52 1 0
- 30 53 1 0
- 30 54 1 0
- 31 55 1 0
- 31 56 1 0
- 31 57 1 0
- 32 58 1 0
- 32 59 1 0
- 32 60 1 0
- 33 61 1 0
- 33 62 1 0
- 33 63 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70644-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.5934 -0.2698 -0.0016 C 0 0 0
- -1.9404 0.1340 -0.0013 C 0 0 0
- 0.4266 0.6983 0.0001 C 0 0 0
- -0.2629 -1.6956 0.0025 C 0 0 0
- -2.2524 1.5131 0.0002 C 0 0 0
- -2.9705 -0.8327 -0.0020 C 0 0 0
- 1.8160 0.2445 -0.0003 C 0 0 0
- 0.0913 2.0653 0.0024 C 0 0 0
- 1.0638 -2.0931 0.0018 C 0 0 0
- -1.3532 -2.6716 0.0068 C 0 0 0
- -1.2060 2.4624 0.0008 C 0 0 0
- -3.5969 1.9035 0.0004 C 0 0 0
- -2.6381 -2.2550 -0.0025 C 0 0 0
- -4.2989 -0.4019 -0.0017 C 0 0 0
- 2.0993 -1.1444 -0.0022 C 0 0 0
- 2.8710 1.1652 0.0008 C 0 0 0
- -4.5931 0.9496 -0.0007 C 0 0 0
- 3.4441 -1.5659 -0.0029 C 0 0 0
- 4.1596 0.7206 0.0001 C 0 0 0
- 4.4435 -0.6429 -0.0018 C 0 0 0
- 5.2907 1.7164 0.0008 C 0 0 0
- 0.8578 2.7897 0.0000 H 0 0 0
- 1.2994 -3.1211 0.0000 H 0 0 0
- -1.1351 -3.7035 0.0000 H 0 0 0
- -1.4360 3.4917 0.0000 H 0 0 0
- -3.8482 2.9278 0.0000 H 0 0 0
- -3.4145 -2.9688 0.0000 H 0 0 0
- -5.0807 -1.1097 0.0000 H 0 0 0
- 2.6691 2.2004 0.0000 H 0 0 0
- -5.6018 1.2576 0.0000 H 0 0 0
- 3.6753 -2.5949 0.0000 H 0 0 0
- 5.4479 -0.9646 0.0000 H 0 0 0
- 5.9876 0.9248 0.0000 H 0 0 0
- 6.0823 2.4133 0.0000 H 0 0 0
- 4.5938 2.5080 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 19 21 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 19 20 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13177-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -1.9275 -0.0212 0.0025 C 0 0 0
- -0.9082 -1.0696 0.0034 C 0 0 0
- -1.3876 1.1538 0.0020 C 0 0 0
- -3.3560 -0.3127 -0.0033 C 0 0 0
- 0.3611 -0.3262 0.0026 C 0 0 0
- -1.3272 -2.3104 0.0039 C 0 0 0
- 0.0723 0.9700 0.0024 C 0 0 0
- -2.3177 2.2990 0.0006 C 0 0 0
- -3.7286 -1.7376 -0.0074 C 0 0 0
- -4.1836 0.7045 -0.0047 C 0 0 0
- 1.7643 -0.7677 0.0010 C 0 0 0
- -2.7622 -2.6380 0.0034 C 0 0 0
- 1.1722 1.9526 0.0018 C 0 0 0
- -3.6192 2.0722 -0.0003 C 0 0 0
- 2.7395 0.1148 0.0002 C 0 0 0
- 2.4240 1.5536 0.0001 C 0 0 0
- 4.0300 -0.2982 -0.0016 N 0 3 0
- 4.9315 0.5208 -0.0023 O 0 0 0
- 4.2886 -1.4884 -0.0025 O 0 5 0
- -0.6200 -3.0931 0.0000 H 0 0 0
- -1.9480 3.2869 0.0000 H 0 0 0
- -4.7416 -2.0316 0.0000 H 0 0 0
- -5.2273 0.5512 0.0000 H 0 0 0
- 1.9897 -1.7982 0.0000 H 0 0 0
- -3.0362 -3.6566 0.0000 H 0 0 0
- 0.9520 2.9842 0.0000 H 0 0 0
- -4.2792 2.8951 0.0000 H 0 0 0
- 3.2036 2.2641 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 15 16 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129-09-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 54 1 V2000
- -1.4496 0.0869 -0.3127 C 0 0 0
- -2.8115 0.2140 -0.1592 C 0 0 0
- -0.6960 1.2863 -0.3120 C 0 0 0
- -0.7703 -1.2090 -0.4666 C 0 0 0
- -3.4888 1.4665 -0.0030 C 0 0 0
- -4.1428 -0.9444 -0.0959 S 0 0 0
- 0.7705 1.2099 -0.4680 C 0 0 0
- -1.3343 2.5164 -0.1631 C 0 0 0
- 0.6960 -1.2846 -0.3098 C 0 0 0
- -1.4116 -2.2103 -0.7214 O 0 0 0
- -4.8070 1.3951 0.1336 N 0 0 0
- -2.6978 2.6442 -0.0089 C 0 0 0
- -5.4604 0.2468 0.1260 C 0 0 0
- 1.4494 -0.0860 -0.3122 C 0 0 0
- 1.4123 2.2108 -0.7229 O 0 0 0
- 1.3347 -2.5142 -0.1595 C 0 0 0
- -6.9121 0.0066 0.2647 C 0 0 0
- 2.8112 -0.2135 -0.1592 C 0 0 0
- 2.6983 -2.6417 -0.0068 C 0 0 0
- -7.7878 1.0812 0.4314 C 0 0 0
- -7.4143 -1.2951 0.2239 C 0 0 0
- 3.4884 -1.4666 -0.0057 C 0 0 0
- 4.1427 0.9445 -0.0937 S 0 0 0
- -9.1415 0.8501 0.5603 C 0 0 0
- -8.7706 -1.5123 0.3540 C 0 0 0
- 4.8065 -1.3954 0.1304 N 0 0 0
- 5.4603 -0.2474 0.1250 C 0 0 0
- -9.6322 -0.4434 0.5247 C 0 0 0
- 6.9121 -0.0078 0.2642 C 0 0 0
- 7.7874 -1.0826 0.4281 C 0 0 0
- 7.4146 1.2943 0.2267 C 0 0 0
- 9.1415 -0.8519 0.5575 C 0 0 0
- 8.7705 1.5109 0.3573 C 0 0 0
- 9.6322 0.4412 0.5252 C 0 0 0
- -0.7536 3.3785 0.0000 H 0 0 0
- -3.1433 3.5834 0.0000 H 0 0 0
- 0.7542 -3.3765 0.0000 H 0 0 0
- 3.1437 -3.5809 0.0000 H 0 0 0
- -7.4226 2.0544 0.0000 H 0 0 0
- -6.7601 -2.1029 0.0000 H 0 0 0
- -9.8021 1.6527 0.0000 H 0 0 0
- -9.1434 -2.4826 0.0000 H 0 0 0
- -10.6588 -0.6069 0.0000 H 0 0 0
- 7.4219 -2.0557 0.0000 H 0 0 0
- 6.7606 2.1023 0.0000 H 0 0 0
- 9.8019 -1.6546 0.0000 H 0 0 0
- 9.1436 2.4811 0.0000 H 0 0 0
- 10.6588 0.6045 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 9 16 2 0
- 13 17 1 0
- 14 18 2 0
- 16 19 1 0
- 17 20 1 0
- 17 21 2 0
- 18 22 1 0
- 18 23 1 0
- 20 24 2 0
- 21 25 1 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 27 29 1 0
- 29 30 2 0
- 29 31 1 0
- 30 32 1 0
- 31 33 2 0
- 32 34 2 0
- 8 12 1 0
- 9 14 1 0
- 11 13 2 0
- 19 22 2 0
- 25 28 2 0
- 26 27 2 0
- 33 34 1 0
- 8 35 1 0
- 12 36 1 0
- 16 37 1 0
- 19 38 1 0
- 20 39 1 0
- 21 40 1 0
- 24 41 1 0
- 25 42 1 0
- 28 43 1 0
- 30 44 1 0
- 31 45 1 0
- 32 46 1 0
- 33 47 1 0
- 34 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111901-41-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -1.1485 -0.4094 0.0959 C 0 0 0
- -2.0915 -1.5765 0.1280 C 0 0 2
- 0.2366 -0.6450 0.0512 C 0 0 0
- -1.6093 0.8728 0.1150 C 0 0 0
- -3.5143 -1.2970 -0.3153 C 0 0 1
- -3.1578 -1.4052 1.0640 O 0 0 0
- 1.1262 0.4511 0.0332 C 0 0 0
- 0.7442 -1.9651 0.0246 C 0 0 0
- -3.0935 1.1325 0.1542 C 0 0 1
- -0.7285 1.9502 0.0960 C 0 0 0
- -3.8074 0.1288 -0.7503 C 0 0 1
- 2.5678 0.1884 -0.0065 C 0 0 0
- 0.6213 1.7525 0.0544 C 0 0 0
- 2.0701 -2.2073 -0.0119 C 0 0 0
- -3.5664 0.9918 1.4953 O 0 0 0
- -3.3804 0.3118 -2.1016 O 0 0 0
- 3.0125 -1.1528 -0.0269 C 0 0 0
- 3.4999 1.2276 -0.0238 C 0 0 0
- 1.5603 2.9310 0.0349 C 0 0 0
- 4.3894 -1.4152 -0.0612 C 0 0 0
- 4.8344 0.9389 -0.0590 C 0 0 0
- 5.2761 -0.3788 -0.0764 C 0 0 0
- -1.7169 -2.5541 0.0000 H 0 0 0
- -4.2878 -2.0025 0.0000 H 0 0 0
- 0.0760 -2.7711 0.0000 H 0 0 0
- -3.1542 2.1777 0.0000 H 0 0 0
- -1.1071 2.9263 0.0000 H 0 0 0
- -4.8318 0.3447 0.0000 H 0 0 0
- 2.4098 -3.1976 0.0000 H 0 0 0
- -4.5699 0.6932 0.0000 H 0 0 0
- -2.4181 0.7242 0.0000 H 0 0 0
- 3.1772 2.2236 0.0000 H 0 0 0
- 2.3791 2.2786 0.0000 H 0 0 0
- 2.2127 3.7498 0.0000 H 0 0 0
- 0.7415 3.5834 0.0000 H 0 0 0
- 4.7360 -2.4031 0.0000 H 0 0 0
- 5.5327 1.7189 0.0000 H 0 0 0
- 6.3038 -0.5787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 13 19 1 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 21 22 1 0
- 2 23 1 0
- 5 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5845-67-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.1327 0.3353 0.3636 C 0 0 1
- 0.1283 -1.1266 0.1589 C 0 0 0
- 1.0369 1.1341 0.0235 N 0 0 0
- -1.3160 0.7685 -0.5041 C 0 0 0
- 1.3614 -1.6383 0.0955 N 0 0 0
- -0.8186 -1.8760 0.0458 O 0 0 0
- 2.2697 0.6222 -0.0444 C 0 0 0
- -2.6202 0.2872 0.1349 C 0 0 0
- 2.5623 -0.8236 0.2215 C 0 0 0
- 3.1895 1.3578 -0.3338 O 0 0 0
- -3.2887 1.4516 0.8684 C 0 0 0
- -3.5590 -0.2360 -0.9540 C 0 0 0
- -0.2570 1.3317 0.0000 H 0 0 0
- 0.9338 2.1329 0.0000 H 0 0 0
- -0.7166 1.5741 0.0000 H 0 0 0
- -1.9175 1.5725 0.0000 H 0 0 0
- 1.4630 -2.6373 0.0000 H 0 0 0
- -2.2007 -0.6251 0.0000 H 0 0 0
- 3.0116 -1.7216 0.0000 H 0 0 0
- 3.5117 -0.4965 0.0000 H 0 0 0
- -2.4179 1.9516 0.0000 H 0 0 0
- -3.7887 2.3224 0.0000 H 0 0 0
- -4.1595 0.9516 0.0000 H 0 0 0
- -4.0478 0.6411 0.0000 H 0 0 0
- -4.4361 -0.7248 0.0000 H 0 0 0
- -3.0702 -1.1131 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 2 0
- 8 11 1 0
- 8 12 1 0
- 7 9 1 0
- 1 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-141691-41-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.6024 0.6480 0.0019 C 0 0 0
- 0.1898 -0.6965 -0.0003 C 0 0 0
- 1.9851 0.6253 0.0018 N 0 0 0
- -0.3407 1.6678 -0.0015 C 0 0 0
- -1.1710 -0.9979 -0.0004 C 0 0 0
- 1.3149 -1.4601 -0.0016 N 0 0 0
- 2.3704 -0.6851 -0.0004 C 0 0 0
- 2.8724 1.7910 0.0033 C 0 0 0
- -1.6735 1.3703 -0.0069 C 0 0 0
- -2.1028 0.0369 0.0017 C 0 0 0
- 3.6767 -1.1264 -0.0011 N 0 0 0
- -3.5031 -0.2628 0.0017 C 0 0 0
- -4.6140 -0.5005 0.0017 N 0 0 0
- -0.0311 2.6601 0.0000 H 0 0 0
- -1.4880 -1.9879 0.0000 H 0 0 0
- 3.6995 1.1614 0.0000 H 0 0 0
- 3.5020 2.6181 0.0000 H 0 0 0
- 2.0453 2.4206 0.0000 H 0 0 0
- -2.3740 2.1383 0.0000 H 0 0 0
- 3.8810 -2.1456 0.0000 H 0 0 0
- 4.4572 -0.4399 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 12 13 3 0
- 6 7 2 0
- 9 10 1 0
- 4 14 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-580-18-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.3202 0.6455 -0.0028 C 0 0 0
- -0.5469 -0.7536 -0.0009 C 0 0 0
- 1.0030 1.1234 -0.0024 C 0 0 0
- -1.4144 1.5257 0.0007 C 0 0 0
- 0.4903 -1.5972 0.0017 N 0 0 0
- -1.8689 -1.2312 -0.0014 C 0 0 0
- 2.0210 0.2065 -0.0001 C 0 0 0
- -2.6807 1.0253 0.0058 C 0 0 0
- 1.7255 -1.1604 0.0026 C 0 0 0
- -2.9058 -0.3496 -0.0036 C 0 0 0
- 3.3143 0.6242 0.0001 O 0 0 0
- 1.2021 2.1403 0.0000 H 0 0 0
- -1.2590 2.5502 0.0000 H 0 0 0
- -2.0534 -2.2509 0.0000 H 0 0 0
- -3.4875 1.6756 0.0000 H 0 0 0
- 2.5032 -1.8451 0.0000 H 0 0 0
- -3.8785 -0.7068 0.0000 H 0 0 0
- 4.3004 0.9427 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6926-44-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.3832 0.4592 -0.8319 C 0 0 0
- -1.3165 0.4070 0.3794 C 0 0 0
- 1.0279 0.1662 -0.3917 C 0 0 0
- -2.6883 0.6919 -0.0485 N 0 0 0
- 1.4923 -1.1356 -0.3810 C 0 0 0
- 1.8599 1.2001 -0.0040 C 0 0 0
- -3.4971 -0.0721 0.1117 N 0 3 0
- 2.7869 -1.4044 0.0228 C 0 0 0
- 3.1542 0.9313 0.3997 C 0 0 0
- -4.3059 -0.8360 0.2719 N 0 5 0
- 3.6168 -0.3715 0.4159 C 0 0 0
- 0.2114 1.2554 0.0000 H 0 0 0
- -0.8532 1.3348 0.0000 H 0 0 0
- -1.9111 -0.3892 0.0000 H 0 0 0
- -0.8465 -0.4686 0.0000 H 0 0 0
- 0.8397 -1.8850 0.0000 H 0 0 0
- 1.5246 2.1356 0.0000 H 0 0 0
- 3.1226 -2.3397 0.0000 H 0 0 0
- 3.8074 1.6802 0.0000 H 0 0 0
- 4.5966 -0.5375 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 6 2 0
- 10 7 2 0
- 11 8 2 0
- 9 11 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2498-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.2569 0.0862 -0.0018 C 0 0 0
- -1.7008 -0.1906 -0.0010 C 0 0 0
- 0.1898 1.4804 -0.0006 C 0 0 0
- 0.6653 -0.9468 0.0019 C 0 0 0
- -2.6096 0.8882 0.0010 C 0 0 0
- -2.1802 -1.5015 -0.0017 C 0 0 0
- 1.5477 1.7783 -0.0008 C 0 0 0
- -0.8075 2.5495 0.0015 C 0 0 0
- 2.0324 -0.6533 0.0010 C 0 0 0
- -2.1233 2.2643 0.0017 C 0 0 0
- -3.9861 0.6222 0.0018 C 0 0 0
- -3.5377 -1.7303 -0.0005 C 0 0 0
- -1.2168 -2.6603 -0.0044 C 0 0 0
- 2.4828 0.7404 -0.0023 C 0 0 0
- 2.9987 -1.6788 0.0054 C 0 0 0
- -4.4318 -0.6674 0.0007 C 0 0 0
- 3.8675 1.0052 -0.0026 C 0 0 0
- 4.3187 -1.3560 0.0049 C 0 0 0
- 4.7478 -0.0298 -0.0041 C 0 0 0
- 0.3403 -1.9434 0.0000 H 0 0 0
- 1.8682 2.7763 0.0000 H 0 0 0
- -0.4944 3.5499 0.0000 H 0 0 0
- -2.8163 3.0508 0.0000 H 0 0 0
- -4.6729 1.4141 0.0000 H 0 0 0
- -3.8993 -2.7142 0.0000 H 0 0 0
- -2.0228 -3.3304 0.0000 H 0 0 0
- -0.5467 -3.4663 0.0000 H 0 0 0
- -0.4108 -1.9902 0.0000 H 0 0 0
- 2.7013 -2.6840 0.0000 H 0 0 0
- -5.4625 -0.8585 0.0000 H 0 0 0
- 4.2156 1.9939 0.0000 H 0 0 0
- 5.0323 -2.1238 0.0000 H 0 0 0
- 5.7760 0.1743 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 2 0
- 14 17 1 0
- 15 18 2 0
- 17 19 2 0
- 8 10 2 0
- 9 14 2 0
- 12 16 1 0
- 18 19 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-51-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 2.3790 -0.1498 0.0000 S 0 0 0
- 0.6211 -0.0292 0.0009 C 0 0 0
- 2.7336 -1.6298 0.0195 O 0 0 0
- 2.7983 0.3310 -1.2698 O 0 0 0
- 2.8020 0.3651 1.2550 O 0 0 0
- 0.0099 1.2185 -0.0022 C 0 0 0
- -0.1500 -1.1747 -0.0011 C 0 0 0
- -1.3758 1.3097 -0.0020 C 0 0 0
- 0.7875 2.3787 -0.0051 N 0 0 0
- -1.5297 -1.0816 -0.0008 C 0 0 0
- -2.1423 0.1593 0.0014 C 0 0 0
- -2.3679 -2.3340 -0.0030 C 0 0 0
- -3.8747 0.2714 0.0023 Cl 0 0 0
- 2.9763 -2.6427 0.0000 H 0 0 0
- 0.3081 -2.1100 0.0000 H 0 0 0
- -1.8369 2.2436 0.0000 H 0 0 0
- 1.8267 2.3091 0.0000 H 0 0 0
- 0.3282 3.3135 0.0000 H 0 0 0
- -3.2335 -1.7547 0.0000 H 0 0 0
- -2.9472 -3.1996 0.0000 H 0 0 0
- -1.5023 -2.9133 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 2 7 2 0
- 6 8 2 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 10 11 2 0
- 3 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5116-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.9046 -0.8433 0.4563 C 0 0 2
- -0.5316 -0.6129 0.2817 N 0 0 0
- 1.5772 0.4224 0.6333 O 0 0 0
- 1.4950 -1.4252 -0.8472 C 0 0 0
- -0.9866 0.6466 0.0004 C 0 0 0
- -1.3903 -1.6425 0.3940 C 0 0 0
- 2.9526 0.1768 0.2675 C 0 0 1
- 2.8733 -0.7387 -0.9743 C 0 0 1
- -2.3103 0.8589 -0.1606 C 0 0 0
- -2.7146 -1.4591 0.2384 N 0 0 0
- -0.9639 -2.7545 0.6392 O 0 0 0
- 3.6224 1.4982 -0.1150 C 0 0 0
- 3.9049 -1.7251 -0.9056 O 0 0 0
- -3.2034 -0.2323 -0.0340 C 0 0 0
- -2.8302 2.2390 -0.4703 C 0 0 0
- 3.6153 2.3790 1.0102 O 0 0 0
- -4.4015 -0.0654 -0.1745 O 0 0 0
- -1.7356 3.1547 -0.5447 O 0 0 0
- 0.4505 -1.7404 0.0000 H 0 0 0
- 0.7147 -2.0594 0.0000 H 0 0 0
- 2.0395 -2.2705 0.0000 H 0 0 0
- -0.3453 1.4211 0.0000 H 0 0 0
- 3.9196 -0.0989 0.0000 H 0 0 0
- 3.8141 -0.3838 0.0000 H 0 0 0
- -3.3348 -2.2506 0.0000 H 0 0 0
- 4.2983 0.7537 0.0000 H 0 0 0
- 4.5589 1.8642 0.0000 H 0 0 0
- 4.6316 -2.4200 0.0000 H 0 0 0
- -3.3850 3.0776 0.0000 H 0 0 0
- -3.7256 1.7815 0.0000 H 0 0 0
- 3.6072 3.3845 0.0000 H 0 0 0
- -0.9644 3.7999 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 7 8 1 0
- 10 14 1 0
- 1 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83435-67-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 68 1 V2000
- -2.2845 2.0839 0.0619 C 0 0 0
- -2.3805 1.3186 1.3074 N 0 0 0
- -3.5489 2.9529 -0.1068 C 0 0 0
- -1.1697 3.1432 0.1936 C 0 0 0
- -2.2046 -0.0175 1.2927 C 0 0 0
- -2.6678 2.0058 2.5690 C 0 0 0
- -3.0592 4.2518 -0.7104 C 0 0 0
- -1.6922 4.3611 -0.5379 C 0 0 0
- -2.6657 -0.8252 0.1069 C 0 0 1
- -1.6753 -0.5699 2.2338 O 0 0 0
- -3.4616 1.0937 3.4684 C 0 0 0
- -3.7548 5.2585 -1.3592 C 0 0 0
- -1.0242 5.4768 -1.0145 C 0 0 0
- -2.0309 -2.1495 0.1399 N 0 0 0
- -4.1861 -0.9870 0.1602 C 0 0 0
- -3.8801 1.5305 4.6666 O 0 0 0
- -3.7214 -0.0309 3.1109 O 0 0 0
- -3.0868 6.3701 -1.8341 C 0 0 0
- -1.7196 6.4798 -1.6608 C 0 0 0
- -1.1360 -2.2178 -1.0230 C 0 0 1
- -0.0160 -3.2228 -0.7464 C 0 0 0
- -1.9182 -2.6580 -2.2336 C 0 0 0
- 0.7781 -2.7760 0.4826 C 0 0 0
- -1.5509 -2.2447 -3.4567 O 0 0 0
- -2.8760 -3.3829 -2.1032 O 0 0 0
- 1.8812 -3.7659 0.7551 C 0 0 0
- -2.3046 -2.6688 -4.6231 C 0 0 0
- 3.1244 -3.5924 0.1756 C 0 0 0
- 1.6518 -4.8441 1.5888 C 0 0 0
- -1.6812 -2.0616 -5.8815 C 0 0 0
- 4.1361 -4.5003 0.4255 C 0 0 0
- 2.6638 -5.7523 1.8388 C 0 0 0
- 3.9050 -5.5820 1.2549 C 0 0 0
- 16.5476 3.1244 -0.0885 Cl 0 0 0
- -1.4654 1.6700 0.0000 H 0 0 0
- -4.3788 3.3447 0.0000 H 0 0 0
- -4.0062 2.1572 0.0000 H 0 0 0
- -0.6204 2.4080 0.0000 H 0 0 0
- -0.3749 3.6020 0.0000 H 0 0 0
- -1.8849 2.4846 0.0000 H 0 0 0
- -3.2602 2.7067 0.0000 H 0 0 0
- -3.1679 -0.0571 0.0000 H 0 0 0
- -4.6721 5.2294 0.0000 H 0 0 0
- -0.1070 5.5074 0.0000 H 0 0 0
- -2.5491 -2.9069 0.0000 H 0 0 0
- -4.2832 -0.0744 0.0000 H 0 0 0
- -5.0987 -1.0841 0.0000 H 0 0 0
- -4.0890 -1.8996 0.0000 H 0 0 0
- -4.5150 2.1932 0.0000 H 0 0 0
- -3.5703 7.1501 0.0000 H 0 0 0
- -1.3268 7.3092 0.0000 H 0 0 0
- -0.7754 -1.3739 0.0000 H 0 0 0
- -0.6996 -3.8351 0.0000 H 0 0 0
- 0.5183 -3.9689 0.0000 H 0 0 0
- 1.4617 -2.1637 0.0000 H 0 0 0
- 0.2438 -2.0299 0.0000 H 0 0 0
- -3.1630 -2.3442 0.0000 H 0 0 0
- -2.2354 -3.5839 0.0000 H 0 0 0
- 3.3924 -2.7147 0.0000 H 0 0 0
- 0.7792 -5.1283 0.0000 H 0 0 0
- -1.0409 -2.7190 0.0000 H 0 0 0
- -1.0238 -1.4213 0.0000 H 0 0 0
- -2.3215 -1.4042 0.0000 H 0 0 0
- 5.0088 -4.2164 0.0000 H 0 0 0
- 2.3948 -6.6297 0.0000 H 0 0 0
- 4.5294 -6.2545 0.0000 H 0 0 0
- 17.4653 3.1244 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 2 0
- 12 18 2 0
- 13 19 2 0
- 14 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 22 25 2 0
- 23 26 1 0
- 24 27 1 0
- 26 28 1 0
- 26 29 2 0
- 27 30 1 0
- 28 31 2 0
- 29 32 1 0
- 31 33 1 0
- 7 8 2 0
- 18 19 1 0
- 32 33 2 0
- 1 35 1 0
- 3 36 1 0
- 3 37 1 0
- 4 38 1 0
- 4 39 1 0
- 6 40 1 0
- 6 41 1 0
- 9 42 1 0
- 12 43 1 0
- 13 44 1 0
- 14 45 1 0
- 15 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 18 50 1 0
- 19 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 23 55 1 0
- 23 56 1 0
- 27 57 1 0
- 27 58 1 0
- 28 59 1 0
- 29 60 1 0
- 30 61 1 0
- 30 62 1 0
- 30 63 1 0
- 31 64 1 0
- 32 65 1 0
- 33 66 1 0
- 34 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-81-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- -0.0546 0.4622 -0.3425 N 0 0 0
- -1.2881 -0.1427 -0.8625 C 0 0 0
- 1.0630 -0.3036 -0.9102 C 0 0 0
- 0.0262 1.8133 -0.9134 C 0 0 0
- -2.2032 -0.5186 0.3046 C 0 0 0
- 1.8664 -0.9481 0.2211 C 0 0 0
- 0.0371 2.8447 0.2166 C 0 0 0
- -3.4879 -1.1487 -0.2371 C 0 0 0
- 2.9543 -1.8451 -0.3728 C 0 0 0
- 1.2567 2.7320 0.9527 O 0 0 0
- -4.4030 -1.5246 0.9301 C 0 0 0
- 3.8247 -2.4054 0.7539 C 0 0 0
- -1.3906 -1.0556 0.0000 H 0 0 0
- -0.5369 -0.6714 0.0000 H 0 0 0
- 1.9104 0.0509 0.0000 H 0 0 0
- 1.1568 0.6102 0.0000 H 0 0 0
- 0.8011 1.3200 0.0000 H 0 0 0
- 0.8338 2.2510 0.0000 H 0 0 0
- -2.1007 0.3943 0.0000 H 0 0 0
- -2.9544 0.0101 0.0000 H 0 0 0
- 2.7254 -0.6226 0.0000 H 0 0 0
- 2.0100 -0.0408 0.0000 H 0 0 0
- 0.0967 3.7614 0.0000 H 0 0 0
- -0.8808 2.8794 0.0000 H 0 0 0
- -3.5904 -2.0616 0.0000 H 0 0 0
- -2.7367 -1.6774 0.0000 H 0 0 0
- 2.1071 -2.2002 0.0000 H 0 0 0
- 2.8740 -2.7602 0.0000 H 0 0 0
- 2.1714 2.6475 0.0000 H 0 0 0
- -4.7520 -0.6749 0.0000 H 0 0 0
- -5.2527 -1.8736 0.0000 H 0 0 0
- -4.0540 -2.3743 0.0000 H 0 0 0
- 3.3275 -3.1778 0.0000 H 0 0 0
- 4.5971 -2.9026 0.0000 H 0 0 0
- 4.3219 -1.6330 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 12 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-213-46-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.7310 -0.7663 -0.0009 C 0 0 0
- -0.7310 -0.7663 -0.0008 C 0 0 0
- 1.4060 0.4710 -0.0003 C 0 0 0
- 1.4597 -1.9702 0.0042 C 0 0 0
- -1.4060 0.4710 -0.0001 C 0 0 0
- -1.4597 -1.9702 -0.0019 C 0 0 0
- 2.8710 0.4681 -0.0004 C 0 0 0
- 0.6788 1.6701 0.0008 C 0 0 0
- 2.8115 -1.9767 0.0041 C 0 0 0
- -2.8710 0.4682 0.0000 C 0 0 0
- -0.6787 1.6701 0.0000 C 0 0 0
- -2.8115 -1.9767 -0.0023 C 0 0 0
- 3.5492 -0.7725 -0.0011 C 0 0 0
- 3.6040 1.6576 -0.0003 C 0 0 0
- -3.5492 -0.7725 -0.0007 C 0 0 0
- -3.6040 1.6576 0.0011 C 0 0 0
- 4.9523 -0.7849 -0.0012 C 0 0 0
- 4.9684 1.6111 -0.0008 C 0 0 0
- -4.9523 -0.7850 -0.0006 C 0 0 0
- -4.9684 1.6110 0.0017 C 0 0 0
- 5.6391 0.3928 -0.0006 C 0 0 0
- -5.6391 0.3928 0.0001 C 0 0 0
- 0.9409 -2.8855 0.0000 H 0 0 0
- -0.9409 -2.8855 0.0000 H 0 0 0
- 1.1950 2.5869 0.0000 H 0 0 0
- 3.3234 -2.8958 0.0000 H 0 0 0
- -1.1949 2.5869 0.0000 H 0 0 0
- -3.3234 -2.8958 0.0000 H 0 0 0
- 3.1068 2.5848 0.0000 H 0 0 0
- -3.1068 2.5848 0.0000 H 0 0 0
- 5.4723 -1.6995 0.0000 H 0 0 0
- 5.5190 2.5076 0.0000 H 0 0 0
- -5.4723 -1.6996 0.0000 H 0 0 0
- -5.5191 2.5075 0.0000 H 0 0 0
- 6.6911 0.3798 0.0000 H 0 0 0
- -6.6911 0.3798 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 7 14 1 0
- 10 15 2 0
- 10 16 1 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 2 0
- 19 22 2 0
- 8 11 2 0
- 9 13 1 0
- 12 15 1 0
- 18 21 1 0
- 20 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7673-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.5892 -0.7240 -0.0027 C 0 0 0
- 0.6190 -1.6330 -0.0021 N 0 0 0
- 1.2872 0.5705 -0.0023 N 0 0 0
- 2.9100 -1.1244 0.0021 N 0 0 0
- -0.6530 -1.2473 -0.0011 C 0 0 0
- 0.0149 0.9562 -0.0014 C 0 0 0
- 4.1579 0.0448 0.0012 Cl 0 0 0
- -1.6601 -2.1909 0.0000 N 0 0 0
- -0.9551 0.0474 -0.0008 N 0 0 0
- -0.2988 2.3002 -0.0005 N 0 0 0
- -3.2966 -1.6948 0.0012 Cl 0 0 0
- -1.9352 2.7963 0.0007 Cl 0 0 0
- 3.1409 -2.1139 0.0000 H 0 0 0
- -1.4292 -3.1804 0.0000 H 0 0 0
- 0.4427 2.9949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 6 9 2 0
- 4 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119914-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- 0.5327 -0.4091 0.2796 C 0 0 0
- 1.4174 -1.4669 0.2887 N 0 0 0
- 1.0001 0.9053 0.0978 C 0 0 0
- -0.8301 -0.6280 0.4438 C 0 0 0
- 0.8907 -2.8205 0.4804 C 0 0 0
- 2.7380 -1.3091 0.1293 C 0 0 0
- 2.4454 1.1214 -0.0810 C 0 0 0
- 0.1041 1.9775 0.0881 C 0 0 0
- -1.7064 0.4449 0.4324 C 0 0 0
- 1.2418 -3.6811 -0.7349 C 0 0 0
- 2.0520 -3.8137 0.5562 C 0 0 0
- 3.3124 -0.0684 -0.0568 C 0 0 0
- 2.9050 2.2387 -0.2427 O 0 0 0
- -1.2317 1.7475 0.2559 C 0 0 0
- 0.6103 3.3836 -0.1065 C 0 0 0
- -3.0716 0.2235 0.5966 N 0 0 0
- 4.7659 0.0633 -0.2285 C 0 0 0
- -2.0987 2.7837 0.2471 F 0 0 0
- -3.3633 -1.0813 -0.0099 C 0 0 0
- -3.7632 1.2341 -0.2131 C 0 0 0
- 5.3156 1.2808 -0.4096 O 0 0 0
- 5.4725 -0.9257 -0.2072 O 0 0 0
- -4.8703 -1.3386 0.0240 C 0 0 0
- -5.2702 0.9767 -0.1793 C 0 0 0
- -5.5619 -0.3280 -0.7857 N 0 0 0
- -5.1627 -2.7308 -0.5392 C 0 0 0
- -1.1980 -1.5956 0.0000 H 0 0 0
- -0.1445 -2.8289 0.0000 H 0 0 0
- 3.3463 -2.1467 0.0000 H 0 0 0
- 0.2281 -3.8910 0.0000 H 0 0 0
- 1.2635 -4.7161 0.0000 H 0 0 0
- 2.2369 -4.8322 0.0000 H 0 0 0
- 2.9496 -3.2980 0.0000 H 0 0 0
- 1.5843 3.0330 0.0000 H 0 0 0
- 0.9609 4.3576 0.0000 H 0 0 0
- -0.3637 3.7342 0.0000 H 0 0 0
- -3.3225 -2.1157 0.0000 H 0 0 0
- -2.3323 -1.1746 0.0000 H 0 0 0
- -2.8340 1.6904 0.0000 H 0 0 0
- -4.0818 2.2191 0.0000 H 0 0 0
- 5.7416 2.2243 0.0000 H 0 0 0
- -5.8856 -1.5408 0.0000 H 0 0 0
- -5.3110 2.0111 0.0000 H 0 0 0
- -6.3012 1.0700 0.0000 H 0 0 0
- -6.5785 -0.5236 0.0000 H 0 0 0
- -6.1758 -2.5180 0.0000 H 0 0 0
- -5.3755 -3.7439 0.0000 H 0 0 0
- -4.1496 -2.9436 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 17 22 2 0
- 19 23 1 0
- 20 24 1 0
- 23 25 1 0
- 23 26 1 0
- 7 12 1 0
- 9 14 1 0
- 10 11 1 0
- 24 25 1 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 15 34 1 0
- 15 35 1 0
- 15 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
- 25 45 1 0
- 26 46 1 0
- 26 47 1 0
- 26 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.0000 0.0370 -0.2487 C 0 0 0
- -1.2492 0.7483 0.2751 C 0 0 0
- 1.2492 0.7483 0.2751 C 0 0 0
- 0.0000 -1.3191 0.2018 O 0 0 0
- -2.4160 0.0840 -0.2141 O 0 0 0
- 2.4160 0.0840 -0.2141 O 0 0 0
- 0.0000 1.0541 0.0000 H 0 0 0
- -0.5970 1.5287 0.0000 H 0 0 0
- -1.9014 1.5287 0.0000 H 0 0 0
- 1.9014 1.5287 0.0000 H 0 0 0
- 0.5970 1.5287 0.0000 H 0 0 0
- 0.0000 -2.3362 0.0000 H 0 0 0
- -3.2999 -0.4192 0.0000 H 0 0 0
- 3.2999 -0.4192 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16110-13-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.6017 0.3877 -0.0302 C 0 0 0
- 0.0123 -0.9435 -0.1841 C 0 0 0
- 2.0662 0.5081 0.0183 C 0 0 0
- -0.2073 1.5078 0.0616 C 0 0 0
- -1.3688 -1.0938 -0.2342 C 0 0 0
- 0.8924 -2.1066 -0.2843 C 0 0 0
- 2.8573 -0.6552 -0.0842 C 0 0 0
- 2.6795 1.7535 0.1633 C 0 0 0
- -1.5970 1.3633 0.0066 C 0 0 0
- -2.1904 0.0319 -0.1369 C 0 0 0
- -1.9765 -2.4637 -0.3931 C 0 0 0
- 2.2304 -1.9644 -0.2366 C 0 0 0
- 4.2537 -0.5384 -0.0378 C 0 0 0
- 4.0530 1.8357 0.2051 C 0 0 0
- -2.4507 2.4807 0.0968 C 0 0 0
- -3.5948 -0.0828 -0.1834 C 0 0 0
- -2.2018 -3.0373 0.8962 O 0 0 0
- 4.8312 0.6895 0.1050 C 0 0 0
- -3.7966 2.3023 0.0396 C 0 0 0
- -4.3621 1.0342 -0.0853 C 0 0 0
- 0.2197 2.4618 0.0000 H 0 0 0
- 0.4771 -3.0658 0.0000 H 0 0 0
- 2.1010 2.6241 0.0000 H 0 0 0
- -2.6041 -1.6279 0.0000 H 0 0 0
- -3.0122 -2.6043 0.0000 H 0 0 0
- 2.8335 -2.8181 0.0000 H 0 0 0
- 4.8502 -1.3967 0.0000 H 0 0 0
- 4.5145 2.7735 0.0000 H 0 0 0
- -2.0501 3.4461 0.0000 H 0 0 0
- -4.0435 -1.0268 0.0000 H 0 0 0
- -2.5839 -4.0102 0.0000 H 0 0 0
- 5.8732 0.7714 0.0000 H 0 0 0
- -4.4221 3.1397 0.0000 H 0 0 0
- -5.4030 0.9390 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-193-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- 0.3987 -0.3643 0.0027 C 0 0 0
- -0.9402 -0.7109 0.0022 C 0 0 0
- 0.8726 1.0087 0.0013 C 0 0 0
- 1.4394 -1.2856 -0.0015 C 0 0 0
- -1.8904 0.3213 0.0009 C 0 0 0
- -1.3002 -2.0782 0.0020 C 0 0 0
- 2.3438 0.8907 0.0012 C 0 0 0
- -0.0736 1.9954 0.0002 C 0 0 0
- 2.6799 -0.4875 0.0003 C 0 0 0
- 1.0724 -2.6338 -0.0064 C 0 0 0
- -1.4553 1.6675 0.0004 C 0 0 0
- -3.2572 -0.0328 -0.0008 C 0 0 0
- -0.2600 -3.0144 0.0035 C 0 0 0
- -2.6775 -2.3907 0.0008 C 0 0 0
- 3.3597 1.8422 -0.0010 C 0 0 0
- 4.0243 -0.8567 -0.0016 C 0 0 0
- -2.4416 2.6641 -0.0006 C 0 0 0
- -3.6104 -1.4036 -0.0010 C 0 0 0
- -4.2002 0.9983 -0.0018 C 0 0 0
- 4.6817 1.4502 0.0006 C 0 0 0
- 5.0119 0.1045 -0.0002 C 0 0 0
- -3.7778 2.3154 -0.0012 C 0 0 0
- 0.2227 3.0006 0.0000 H 0 0 0
- 1.8180 -3.3702 0.0000 H 0 0 0
- -0.4961 -4.0354 0.0000 H 0 0 0
- -2.9824 -3.3933 0.0000 H 0 0 0
- 3.1185 2.8620 0.0000 H 0 0 0
- 4.2855 -1.8716 0.0000 H 0 0 0
- -2.1644 3.6748 0.0000 H 0 0 0
- -4.6251 -1.6654 0.0000 H 0 0 0
- -5.2240 0.7745 0.0000 H 0 0 0
- 5.4402 2.1734 0.0000 H 0 0 0
- 6.0193 -0.1843 0.0000 H 0 0 0
- -4.4981 3.0765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 2 0
- 15 20 2 0
- 16 21 2 0
- 17 22 2 0
- 7 9 2 0
- 8 11 1 0
- 10 13 2 0
- 14 18 2 0
- 19 22 1 0
- 20 21 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-93-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.2069 0.0834 -0.0010 C 0 0 0
- -1.2612 0.2577 -0.0002 C 0 0 0
- 1.0454 1.1995 0.0003 C 0 0 0
- 0.7605 -1.1976 0.0026 C 0 0 0
- -2.0680 -0.8219 -0.0016 N 0 0 0
- -1.7406 1.3747 0.0016 O 0 0 0
- 2.4143 1.0299 -0.0005 C 0 0 0
- 2.1315 -1.3533 0.0018 C 0 0 0
- -3.5228 -0.6492 -0.0008 C 0 0 0
- 2.9568 -0.2431 -0.0027 C 0 0 0
- 0.6398 2.1546 0.0000 H 0 0 0
- 0.1425 -2.0312 0.0000 H 0 0 0
- -1.6587 -1.7755 0.0000 H 0 0 0
- 3.0386 1.8587 0.0000 H 0 0 0
- 2.5444 -2.3053 0.0000 H 0 0 0
- -3.4005 0.3812 0.0000 H 0 0 0
- -4.5532 -0.5269 0.0000 H 0 0 0
- -3.6451 -1.6796 0.0000 H 0 0 0
- 3.9872 -0.3655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2565-01-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 50 1 V2000
- -0.5854 0.3163 0.0050 C 0 0 0
- -1.5569 -0.6808 0.1033 C 0 0 0
- 0.8499 -0.0626 0.0112 C 0 0 0
- -0.9584 1.6551 -0.1037 C 0 0 0
- -1.1344 -2.1232 0.1880 C 0 0 2
- -2.8922 -0.3359 0.1257 C 0 0 0
- 1.1990 -1.3762 -0.2945 C 0 0 0
- 1.8176 0.8987 0.3219 C 0 0 0
- -2.3077 1.9902 -0.1070 C 0 0 0
- -0.0109 2.6248 -0.2052 O 0 0 0
- 0.1215 -2.3676 -0.6452 C 0 0 0
- -2.2156 -2.9786 -0.3204 N 0 0 0
- -3.2639 0.9962 0.0102 C 0 0 0
- -3.9674 -1.3716 0.3039 C 0 0 0
- 2.5245 -1.7872 -0.2921 C 0 0 0
- 3.1411 0.4882 0.3198 C 0 0 0
- -2.6871 3.2910 -0.2236 O 0 0 0
- 0.0828 2.9674 -1.5894 C 0 0 0
- -3.3802 -2.7555 0.5359 C 0 0 0
- -1.7920 -4.3683 -0.1032 C 0 0 0
- 3.4899 -0.8388 0.0187 C 0 0 0
- 4.2694 1.1877 0.5777 O 0 0 0
- -2.6087 3.8629 1.0836 C 0 0 0
- 4.8350 -0.9620 0.0934 O 0 0 0
- 5.3490 0.3854 0.0558 C 0 0 0
- -0.8900 -3.1282 0.0000 H 0 0 0
- 1.5711 1.9032 0.0000 H 0 0 0
- -0.2849 -3.3188 0.0000 H 0 0 0
- 0.9661 -2.9647 0.0000 H 0 0 0
- -4.2669 1.2490 0.0000 H 0 0 0
- -4.5892 -0.5450 0.0000 H 0 0 0
- -4.8634 -1.8883 0.0000 H 0 0 0
- 2.7683 -2.7924 0.0000 H 0 0 0
- 1.0805 2.6945 0.0000 H 0 0 0
- 0.3557 3.9651 0.0000 H 0 0 0
- -0.9149 3.2403 0.0000 H 0 0 0
- -4.3930 -2.9655 0.0000 H 0 0 0
- -3.3724 -3.7898 0.0000 H 0 0 0
- -2.7814 -4.6699 0.0000 H 0 0 0
- -1.4904 -5.3577 0.0000 H 0 0 0
- -0.8026 -4.0667 0.0000 H 0 0 0
- -1.5839 3.7224 0.0000 H 0 0 0
- -2.4682 4.8877 0.0000 H 0 0 0
- -3.6335 4.0034 0.0000 H 0 0 0
- 6.2777 -0.0701 0.0000 H 0 0 0
- 5.8875 1.2685 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 15 21 2 0
- 16 22 1 0
- 17 23 1 0
- 21 24 1 0
- 22 25 1 0
- 7 11 1 0
- 9 13 1 0
- 14 19 1 0
- 16 21 1 0
- 24 25 1 0
- 5 26 1 0
- 8 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 23 42 1 0
- 23 43 1 0
- 23 44 1 0
- 25 45 1 0
- 25 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62625-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -2.5641 0.9416 0.0626 C 0 0 0
- -3.3788 -0.0588 0.5583 C 0 0 0
- -1.3092 0.6353 -0.4303 C 0 0 0
- -3.0387 2.3435 0.0537 N 0 3 0
- -2.9380 -1.3745 0.5621 C 0 0 0
- -0.8626 -0.6744 -0.4298 C 0 0 0
- -2.3220 3.2263 -0.3827 O 0 0 0
- -4.1459 2.6144 0.4829 O 0 5 0
- -1.6739 -1.6831 0.0656 C 0 0 0
- -3.7614 -2.3889 1.0641 N 0 0 0
- 0.7141 -1.0541 -1.0492 Cl 0 0 0
- -1.2366 -2.9713 0.0669 O 0 0 0
- 9.7623 0.5270 0.4004 Cl 0 0 0
- -4.3409 0.1164 0.0000 H 0 0 0
- -0.6492 1.3569 0.0000 H 0 0 0
- -4.7271 -2.2348 0.0000 H 0 0 0
- -3.4120 -3.3023 0.0000 H 0 0 0
- -0.9223 -3.8973 0.0000 H 0 0 0
- 10.7402 0.5270 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 10 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-578-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.4540 0.3234 0.2742 C 0 0 0
- 0.1039 -0.9295 0.0550 C 0 0 0
- 0.3448 1.4496 0.2365 C 0 0 0
- -1.9304 0.4546 0.5467 C 0 0 0
- 1.4644 -1.0453 -0.2015 C 0 0 0
- -0.7009 -2.0704 0.0929 N 0 0 0
- 1.6984 1.3307 -0.0191 C 0 0 0
- -2.6666 0.7470 -0.7623 C 0 0 0
- 2.2572 0.0846 -0.2378 C 0 0 0
- -0.0869 2.3832 0.0000 H 0 0 0
- -2.6720 -0.2582 0.0000 H 0 0 0
- -1.5888 -0.5157 0.0000 H 0 0 0
- 1.8998 -1.9772 0.0000 H 0 0 0
- -1.7253 -1.9772 0.0000 H 0 0 0
- -0.2694 -3.0042 0.0000 H 0 0 0
- 2.2948 2.1688 0.0000 H 0 0 0
- -2.2869 1.7030 0.0000 H 0 0 0
- -3.6226 1.1267 0.0000 H 0 0 0
- -3.0463 -0.2090 0.0000 H 0 0 0
- 3.2812 -0.0131 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-69527-46-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.3097 1.1496 -0.0479 C 0 0 0
- -0.4762 0.0518 -0.0463 O 0 0 0
- 1.7171 1.1634 -0.0939 C 0 0 0
- -0.5164 2.2591 -0.0023 C 0 0 0
- -1.7621 0.4244 0.0042 C 0 0 0
- 2.4237 -0.0254 -0.0265 C 0 0 0
- -1.8310 1.7756 0.0266 C 0 0 0
- -2.9226 -0.4950 0.0214 N 0 3 0
- 3.8538 -0.0054 0.0446 C 0 0 0
- 1.7244 -1.2751 -0.0279 C 0 0 0
- -4.0541 -0.0467 0.0686 O 0 0 0
- -2.7457 -1.6996 -0.0117 O 0 5 0
- 4.9883 0.0106 0.1010 N 0 0 0
- 1.1696 -2.2664 -0.0290 N 0 0 0
- 2.2201 2.0576 0.0000 H 0 0 0
- -0.2238 3.2425 0.0000 H 0 0 0
- -2.6871 2.3410 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 9 13 3 0
- 10 14 3 0
- 5 7 2 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-552-30-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.6190 0.5276 0.0030 C 0 0 0
- -1.0223 -0.8239 0.0013 C 0 0 0
- 0.7289 0.8469 0.0024 C 0 0 0
- -1.8636 1.3227 -0.0008 C 0 0 0
- -2.5015 -0.8050 0.0020 C 0 0 0
- -0.0708 -1.8325 -0.0001 C 0 0 0
- 1.6810 -0.1763 0.0002 C 0 0 0
- -2.9135 0.4779 -0.0044 O 0 0 0
- -1.9298 2.5349 -0.0001 O 0 0 0
- -3.2228 -1.7811 0.0004 O 0 0 0
- 1.2754 -1.5114 0.0002 C 0 0 0
- 3.1222 0.1570 -0.0005 C 0 0 0
- 4.0411 -0.8277 -0.0026 O 0 0 0
- 3.4768 1.3185 0.0010 O 0 0 0
- 1.0303 1.8411 0.0000 H 0 0 0
- -0.3681 -2.8280 0.0000 H 0 0 0
- 1.9874 -2.2680 0.0000 H 0 0 0
- 4.7499 -1.5873 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 12 14 2 0
- 5 8 1 0
- 7 11 1 0
- 3 15 1 0
- 6 16 1 0
- 11 17 1 0
- 13 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19057-60-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-133141 1 V2000
- -7.9361 0.1562 -1.0581 C 0 0 2
- -9.0295 1.1382 -1.4899 C 0 0 2
- -6.8837 1.1110 -0.4361 C 0 0 2
- -7.2398 -0.5790 -2.1909 C 0 0 0
- -8.4712 -0.8188 -0.0074 C 0 0 0
- -9.0931 2.1422 -0.2943 C 0 0 2
- -10.3958 0.4224 -1.4453 C 0 0 1
- -5.8604 0.2613 0.2908 C 0 0 1
- -7.7234 2.0508 0.4207 C 0 0 0
- -6.1356 -1.4425 -1.5624 C 0 0 0
- -10.0952 1.5978 0.5883 O 0 0 0
- -11.1332 1.0896 -0.2688 C 0 0 2
- -11.1568 0.6947 -2.7444 C 0 0 0
- -5.1468 -0.6006 -0.7607 C 0 0 2
- -4.8161 1.1681 0.9518 C 0 0 0
- -11.9670 0.0534 0.4787 C 0 0 0
- -11.9465 2.1543 -0.7428 O 0 0 0
- -4.1147 -1.5010 -0.1043 C 0 0 2
- -3.7150 0.3210 1.5197 C 0 0 0
- -12.6479 0.7277 1.6761 C 0 0 0
- -12.4484 2.8577 0.3927 C 0 0 0
- -3.4081 -0.8519 1.0486 C 0 0 0
- -3.0822 -1.9564 -1.1401 C 0 0 0
- -4.8304 -2.7495 0.4152 C 0 0 0
- -13.4095 1.9602 1.1755 C 0 0 2
- -2.2643 -1.6119 1.6991 C 0 0 0
- -2.0413 -2.8487 -0.4613 C 0 0 0
- -13.9702 2.7335 2.3707 C 0 0 0
- -1.2883 -2.0471 0.6018 C 0 0 2
- -0.2613 -2.8602 1.1729 O 0 0 0
- 0.9810 -2.2093 0.8991 C 0 0 2
- 1.3629 -2.4626 -0.4516 O 0 0 0
- 2.0558 -2.7407 1.8501 C 0 0 1
- 2.5020 -1.6530 -0.7371 C 0 0 1
- 3.3743 -2.0099 1.5720 C 0 0 2
- 1.6557 -2.5038 3.2013 O 0 0 0
- 3.7013 -2.1389 0.0800 C 0 0 2
- 2.8309 -1.7431 -2.2286 C 0 0 0
- 4.4205 -2.6053 2.3421 O 0 0 0
- 4.8437 -1.3377 -0.2282 O 0 0 0
- 1.7145 -1.2805 -2.9913 O 0 0 0
- 5.9297 -2.2378 -0.4576 C 0 0 1
- 6.6778 -1.8217 -1.7261 C 0 0 1
- 6.8169 -2.2066 0.6588 O 0 0 0
- 7.1935 -0.3884 -1.5544 C 0 0 1
- 7.7825 -2.7031 -1.9384 O 0 0 0
- 7.1622 -0.8435 0.8976 C 0 0 2
- 8.0112 -0.3133 -0.2600 C 0 0 2
- 8.0258 -0.0455 -2.6642 O 0 0 0
- 7.9558 -0.7394 2.2016 C 0 0 0
- 8.3721 1.0453 -0.0028 O 0 0 0
- 9.7550 1.1759 -0.3383 C 0 0 1
- 9.9406 2.3662 -1.2822 C 0 0 1
- 10.5156 1.3792 0.8510 O 0 0 0
- 9.4320 3.6361 -0.5905 C 0 0 1
- 11.3273 2.5159 -1.5930 O 0 0 0
- 9.9284 2.4702 1.5576 C 0 0 2
- 10.1282 3.7664 0.7690 C 0 0 2
- 9.7435 4.7746 -1.3961 O 0 0 0
- 10.5885 2.6023 2.9316 C 0 0 0
- 9.5574 4.8577 1.4937 O 0 0 0
- -8.1982 1.5409 0.0000 H 0 0 0
- -6.2425 1.7759 0.0000 H 0 0 0
- -8.1264 -0.8380 0.0000 H 0 0 0
- -7.4140 -1.4861 0.0000 H 0 0 0
- -9.2809 -0.3744 0.0000 H 0 0 0
- -8.9156 -1.6285 0.0000 H 0 0 0
- -7.6615 -1.2632 0.0000 H 0 0 0
- -9.2906 3.0445 0.0000 H 0 0 0
- -10.3317 -0.4990 0.0000 H 0 0 0
- -6.5140 -0.3914 0.0000 H 0 0 0
- -6.8974 2.4641 0.0000 H 0 0 0
- -7.9057 2.9563 0.0000 H 0 0 0
- -6.7522 -2.1302 0.0000 H 0 0 0
- -5.4909 -2.1039 0.0000 H 0 0 0
- -10.8456 1.5644 0.0000 H 0 0 0
- -12.0265 1.0059 0.0000 H 0 0 0
- -11.4680 -0.1750 0.0000 H 0 0 0
- -4.4853 0.0441 0.0000 H 0 0 0
- -4.2054 1.8610 0.0000 H 0 0 0
- -5.4668 1.8236 0.0000 H 0 0 0
- -12.5940 -0.6248 0.0000 H 0 0 0
- -11.2677 -0.5500 0.0000 H 0 0 0
- -2.9452 0.8314 0.0000 H 0 0 0
- -13.5661 0.6274 0.0000 H 0 0 0
- -12.9523 -0.1444 0.0000 H 0 0 0
- -11.7207 3.4266 0.0000 H 0 0 0
- -13.0486 3.5598 0.0000 H 0 0 0
- -2.2450 -1.5661 0.0000 H 0 0 0
- -3.0918 -1.0328 0.0000 H 0 0 0
- -5.6317 -2.2901 0.0000 H 0 0 0
- -5.2898 -3.5508 0.0000 H 0 0 0
- -4.0291 -3.2089 0.0000 H 0 0 0
- -14.1768 1.4460 0.0000 H 0 0 0
- -3.0675 -2.0680 0.0000 H 0 0 0
- -2.2195 -2.5345 0.0000 H 0 0 0
- -2.6530 -3.5408 0.0000 H 0 0 0
- -1.3586 -3.4708 0.0000 H 0 0 0
- -13.2224 3.2757 0.0000 H 0 0 0
- -14.5124 3.4813 0.0000 H 0 0 0
- -14.7180 2.1913 0.0000 H 0 0 0
- -0.8098 -1.2570 0.0000 H 0 0 0
- 0.9702 -1.2857 0.0000 H 0 0 0
- 2.0775 -3.6641 0.0000 H 0 0 0
- 2.3409 -0.7435 0.0000 H 0 0 0
- 3.3141 -1.0882 0.0000 H 0 0 0
- 0.8609 -2.0332 0.0000 H 0 0 0
- 3.8100 -3.0562 0.0000 H 0 0 0
- 3.0274 -2.6456 0.0000 H 0 0 0
- 3.5396 -1.1508 0.0000 H 0 0 0
- 5.2233 -3.0622 0.0000 H 0 0 0
- 0.8612 -0.9269 0.0000 H 0 0 0
- 5.6317 -3.1121 0.0000 H 0 0 0
- 5.9739 -1.2236 0.0000 H 0 0 0
- 6.5257 0.2497 0.0000 H 0 0 0
- 8.5045 -3.2792 0.0000 H 0 0 0
- 6.4160 -0.2991 0.0000 H 0 0 0
- 8.7542 -0.8620 0.0000 H 0 0 0
- 8.8798 0.3064 0.0000 H 0 0 0
- 8.0759 -1.6552 0.0000 H 0 0 0
- 8.8716 -0.6193 0.0000 H 0 0 0
- 7.8357 0.1764 0.0000 H 0 0 0
- 9.9182 0.2668 0.0000 H 0 0 0
- 9.0228 2.2619 0.0000 H 0 0 0
- 8.5098 3.5835 0.0000 H 0 0 0
- 12.2456 2.6150 0.0000 H 0 0 0
- 9.0181 2.3136 0.0000 H 0 0 0
- 11.0394 3.9176 0.0000 H 0 0 0
- 9.9873 5.6655 0.0000 H 0 0 0
- 10.7698 1.6966 0.0000 H 0 0 0
- 11.4942 2.7836 0.0000 H 0 0 0
- 10.4072 3.5080 0.0000 H 0 0 0
- 9.1293 5.6762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 12 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 18 24 1 0
- 20 25 1 0
- 22 26 1 0
- 23 27 1 0
- 25 28 1 0
- 26 29 1 0
- 29 30 1 0
- 31 30 1 0
- 31 32 1 0
- 31 33 1 0
- 32 34 1 0
- 33 35 1 0
- 33 36 1 0
- 34 37 1 0
- 34 38 1 0
- 35 39 1 0
- 37 40 1 0
- 38 41 1 0
- 42 40 1 0
- 42 43 1 0
- 42 44 1 0
- 43 45 1 0
- 43 46 1 0
- 44 47 1 0
- 45 48 1 0
- 45 49 1 0
- 47 50 1 0
- 48 51 1 0
- 52 51 1 0
- 52 53 1 0
- 52 54 1 0
- 53 55 1 0
- 53 56 1 0
- 54 57 1 0
- 55 58 1 0
- 55 59 1 0
- 57 60 1 0
- 58 61 1 0
- 6 9 1 0
- 10 14 1 0
- 11 12 1 0
- 19 22 2 0
- 21 25 1 0
- 27 29 1 0
- 35 37 1 0
- 47 48 1 0
- 57 58 1 0
- 2 62 1 0
- 3 63 1 0
- 4 64 1 0
- 4 65 1 0
- 5 66 1 0
- 5 67 1 0
- 5 68 1 0
- 6 69 1 0
- 7 70 1 0
- 8 71 1 0
- 9 72 1 0
- 9 73 1 0
- 10 74 1 0
- 10 75 1 0
- 13 76 1 0
- 13 77 1 0
- 13 78 1 0
- 14 79 1 0
- 15 80 1 0
- 15 81 1 0
- 16 82 1 0
- 16 83 1 0
- 19 84 1 0
- 20 85 1 0
- 20 86 1 0
- 21 87 1 0
- 21 88 1 0
- 23 89 1 0
- 23 90 1 0
- 24 91 1 0
- 24 92 1 0
- 24 93 1 0
- 25 94 1 0
- 26 95 1 0
- 26 96 1 0
- 27 97 1 0
- 27 98 1 0
- 28 99 1 0
- 28100 1 0
- 28101 1 0
- 29102 1 0
- 31103 1 0
- 33104 1 0
- 34105 1 0
- 35106 1 0
- 36107 1 0
- 37108 1 0
- 38109 1 0
- 38110 1 0
- 39111 1 0
- 41112 1 0
- 42113 1 0
- 43114 1 0
- 45115 1 0
- 46116 1 0
- 47117 1 0
- 48118 1 0
- 49119 1 0
- 50120 1 0
- 50121 1 0
- 50122 1 0
- 52123 1 0
- 53124 1 0
- 55125 1 0
- 56126 1 0
- 57127 1 0
- 58128 1 0
- 59129 1 0
- 60130 1 0
- 60131 1 0
- 60132 1 0
- 61133 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91182-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -1.5179 -0.0107 -0.0036 C 0 0 0
- -2.7154 -0.6326 -0.0027 O 0 0 0
- -1.7491 1.3493 -0.0011 C 0 0 0
- -0.2501 -0.6415 -0.0012 C 0 0 0
- -3.6937 0.2834 0.0002 C 0 0 0
- -3.1421 1.5173 0.0012 C 0 0 0
- 0.8803 0.1079 -0.0024 C 0 0 0
- -5.1449 -0.0091 0.0011 N 0 3 0
- 2.1476 -0.5227 0.0000 C 0 0 0
- -5.9503 0.9045 0.0038 O 0 0 0
- -5.5334 -1.1635 -0.0007 O 0 5 0
- 3.2709 0.2221 -0.0012 N 0 0 0
- 2.2229 -1.7381 0.0032 O 0 0 0
- 4.5825 -0.4305 0.0013 C 0 0 0
- 5.6817 0.6338 -0.0007 C 0 0 0
- 7.0514 -0.0478 0.0019 C 0 0 0
- 8.1506 1.0164 -0.0002 C 0 0 0
- -1.0354 2.0984 0.0000 H 0 0 0
- -0.1861 -1.6742 0.0000 H 0 0 0
- -3.6519 2.4176 0.0000 H 0 0 0
- 0.8163 1.1406 0.0000 H 0 0 0
- 3.2069 1.2548 0.0000 H 0 0 0
- 4.0199 -1.2988 0.0000 H 0 0 0
- 5.3816 -1.0877 0.0000 H 0 0 0
- 6.2444 1.5021 0.0000 H 0 0 0
- 4.8826 1.2910 0.0000 H 0 0 0
- 6.4887 -0.9160 0.0000 H 0 0 0
- 7.8505 -0.7050 0.0000 H 0 0 0
- 8.8703 0.2731 0.0000 H 0 0 0
- 8.8939 1.7361 0.0000 H 0 0 0
- 7.4309 1.7597 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76600-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- -1.2619 -0.3679 -0.7729 C 0 0 0
- -2.5244 -0.1666 -1.3436 N 0 0 0
- -0.8798 -1.6384 -0.3629 C 0 0 0
- -0.3893 0.7022 -0.6220 C 0 0 0
- -3.6211 0.1237 -0.5286 C 0 0 0
- 0.3657 -1.8370 0.1996 C 0 0 0
- 0.8558 0.5036 -0.0596 C 0 0 0
- -4.9063 0.1011 -1.0564 C 0 0 0
- -3.4298 0.4303 0.8127 C 0 0 0
- 1.2359 -0.7662 0.3553 C 0 0 0
- -5.9880 0.3886 -0.2480 C 0 0 0
- -4.5164 0.7170 1.6156 C 0 0 0
- 2.4981 -0.9674 0.9258 N 0 0 0
- -5.7935 0.6991 1.0858 C 0 0 0
- 3.7001 -0.8875 0.0921 C 0 0 0
- 4.6590 0.1508 0.6780 C 0 0 0
- 4.3877 -2.2538 0.0563 C 0 0 0
- 4.9117 1.2515 -0.3543 C 0 0 0
- 4.2821 2.5591 0.1299 C 0 0 0
- 6.4186 1.4466 -0.5332 C 0 0 0
- -2.7228 -1.1045 0.0000 H 0 0 0
- -1.5107 -2.3601 0.0000 H 0 0 0
- -0.7308 1.5979 0.0000 H 0 0 0
- 0.7080 -2.7324 0.0000 H 0 0 0
- 1.4872 1.2249 0.0000 H 0 0 0
- -5.0221 -0.8505 0.0000 H 0 0 0
- -2.5387 0.7836 0.0000 H 0 0 0
- -6.8797 0.0369 0.0000 H 0 0 0
- -4.3998 1.6685 0.0000 H 0 0 0
- 2.4542 -1.9250 0.0000 H 0 0 0
- -6.2636 1.5345 0.0000 H 0 0 0
- 3.2868 -0.0226 0.0000 H 0 0 0
- 5.0973 -0.7017 0.0000 H 0 0 0
- 5.6102 0.2699 0.0000 H 0 0 0
- 3.5314 -2.6847 0.0000 H 0 0 0
- 4.8186 -3.1101 0.0000 H 0 0 0
- 5.2440 -1.8229 0.0000 H 0 0 0
- 3.9591 1.1448 0.0000 H 0 0 0
- 5.1458 2.9750 0.0000 H 0 0 0
- 3.8662 3.4228 0.0000 H 0 0 0
- 3.4184 2.1432 0.0000 H 0 0 0
- 6.5417 0.4959 0.0000 H 0 0 0
- 7.3693 1.5697 0.0000 H 0 0 0
- 6.2955 2.3973 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 18 20 1 0
- 7 10 1 0
- 12 14 2 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 1.9022 -0.0323 -0.0014 C 0 0 0
- 0.5050 0.4426 -0.0003 C 0 0 0
- 2.9157 0.8558 -0.0006 O 0 0 0
- 2.1387 -1.2235 0.0020 O 0 0 0
- -0.5050 -0.4426 -0.0011 C 0 0 0
- -1.9022 0.0323 0.0000 C 0 0 0
- -2.9157 -0.8558 -0.0008 O 0 0 0
- -2.1387 1.2236 0.0016 O 0 0 0
- 0.3082 1.4339 0.0000 H 0 0 0
- 3.6758 1.5219 0.0000 H 0 0 0
- -0.3082 -1.4339 0.0000 H 0 0 0
- -3.6758 -1.5219 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.5026 -0.0102 -0.0011 C 0 0 0
- -2.9742 -0.0131 -0.0009 C 0 0 0
- -0.8020 1.2005 0.0003 C 0 0 0
- -0.7974 -1.2177 0.0031 C 0 0 0
- -3.7252 -1.3197 -0.0025 C 0 0 0
- -3.5826 1.0358 0.0005 O 0 0 0
- 0.5766 1.1949 0.0006 C 0 0 0
- 0.5816 -1.2066 0.0033 C 0 0 0
- 1.2675 -0.0047 -0.0006 C 0 0 0
- 2.7476 -0.0017 -0.0007 N 0 3 0
- 3.3587 -1.0553 -0.0018 O 0 0 0
- 3.3545 1.0543 0.0001 O 0 5 0
- -1.3188 2.1008 0.0000 H 0 0 0
- -1.3106 -2.1201 0.0000 H 0 0 0
- -4.6252 -0.8024 0.0000 H 0 0 0
- -4.2425 -2.2197 0.0000 H 0 0 0
- -2.8252 -1.8370 0.0000 H 0 0 0
- 1.0979 2.0926 0.0000 H 0 0 0
- 1.1065 -2.1022 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 8 9 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6728-26-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.0806 -0.5747 -0.2377 C 0 0 0
- -1.4205 -0.4422 0.4392 C 0 0 0
- 0.9986 -0.0037 0.3012 C 0 0 0
- -2.4031 0.2515 -0.5063 C 0 0 0
- 2.2990 -0.1323 -0.3558 C 0 0 0
- -3.7635 0.3860 0.1809 C 0 0 0
- 3.2802 0.3868 0.1341 O 0 0 0
- 0.1022 -1.5048 0.0000 H 0 0 0
- -2.2004 -0.9809 0.0000 H 0 0 0
- -1.1833 -1.3599 0.0000 H 0 0 0
- 0.8158 0.9264 0.0000 H 0 0 0
- -1.6232 0.7903 0.0000 H 0 0 0
- -2.6404 1.1692 0.0000 H 0 0 0
- 2.4818 -1.0624 0.0000 H 0 0 0
- -3.6702 1.3293 0.0000 H 0 0 0
- -4.7068 0.4793 0.0000 H 0 0 0
- -3.8568 -0.5573 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.9051 -0.2692 0.0679 C 0 0 0
- -2.0493 0.6062 0.0194 C 0 0 0
- 0.4668 0.2611 0.1164 C 0 0 0
- -1.1535 -1.6263 0.0726 C 0 0 0
- -3.2643 0.0253 -0.0229 C 0 0 0
- 1.5151 -0.5848 0.1611 N 0 0 0
- 0.6546 1.4630 0.1162 O 0 0 0
- -2.8819 -1.7139 0.0133 S 0 0 0
- -4.5936 0.6746 -0.0763 N 0 3 0
- 2.8193 -0.0872 0.0742 C 0 0 0
- -5.6030 -0.0063 -0.1104 O 0 0 0
- -4.6780 1.8896 -0.0862 O 0 5 0
- 3.8938 -0.9630 -0.0154 C 0 0 0
- 3.0425 1.2834 0.0716 C 0 0 0
- 5.1803 -0.4685 -0.1011 C 0 0 0
- 4.3318 1.7715 -0.0144 C 0 0 0
- 5.3996 0.8970 -0.0977 C 0 0 0
- 6.3467 -1.4179 -0.1978 C 0 0 0
- -1.9421 1.6379 0.0000 H 0 0 0
- -0.4694 -2.4060 0.0000 H 0 0 0
- 1.3527 -1.6093 0.0000 H 0 0 0
- 3.7301 -1.9873 0.0000 H 0 0 0
- 2.2393 1.9398 0.0000 H 0 0 0
- 4.4993 2.7951 0.0000 H 0 0 0
- 6.3694 1.2650 0.0000 H 0 0 0
- 5.6919 -2.2223 0.0000 H 0 0 0
- 7.1511 -2.0727 0.0000 H 0 0 0
- 7.0015 -0.6135 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105553-32-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -0.5380 -0.1743 0.4752 N 0 0 0
- -1.8199 0.2464 0.1079 C 0 0 0
- 0.4912 0.6953 0.4447 C 0 0 0
- -0.3246 -1.4983 0.8804 N 0 0 0
- -2.8037 -0.6903 -0.1807 C 0 0 0
- -2.1137 1.6023 0.0364 C 0 0 0
- 1.8238 0.2490 -0.0205 C 0 0 0
- 0.3253 1.8460 0.7992 O 0 0 0
- -0.1488 -2.4226 -0.0021 N 0 0 0
- -0.3011 -1.8332 2.3065 C 0 0 0
- -4.0691 -0.2713 -0.5428 C 0 0 0
- -3.3807 2.0144 -0.3262 C 0 0 0
- 2.9460 1.2028 -0.0653 C 0 0 0
- 2.0045 -0.9886 -0.3908 N 0 0 0
- -0.2046 -2.1508 -1.1881 O 0 0 0
- -4.3568 1.0790 -0.6181 C 0 0 0
- 3.8952 1.3049 1.1008 C 0 0 0
- 3.1058 1.9054 -1.0402 O 0 0 0
- 3.1765 -1.3523 -1.0974 O 0 0 0
- -2.5850 -1.6658 0.0000 H 0 0 0
- -1.3720 2.2726 0.0000 H 0 0 0
- -1.2984 -1.9032 0.0000 H 0 0 0
- -0.2311 -2.8305 0.0000 H 0 0 0
- 0.6962 -1.7632 0.0000 H 0 0 0
- -4.8137 -0.9383 0.0000 H 0 0 0
- -3.6036 2.9890 0.0000 H 0 0 0
- -5.3124 1.3729 0.0000 H 0 0 0
- 4.0021 0.3109 0.0000 H 0 0 0
- 4.8892 1.4118 0.0000 H 0 0 0
- 3.7883 2.2989 0.0000 H 0 0 0
- 4.1313 -1.6486 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 9 15 2 0
- 11 16 2 0
- 13 17 1 0
- 13 18 2 0
- 14 19 1 0
- 12 16 1 0
- 5 20 1 0
- 6 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-932-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.7059 -0.3799 -0.2408 N 0 0 0
- 0.1479 -1.5515 -0.2500 C 0 0 0
- -0.1970 0.9206 -0.7006 C 0 0 0
- -1.9247 -0.4804 0.1696 N 0 0 0
- 1.4301 -1.2715 0.5493 C 0 0 0
- 0.7160 1.5020 0.3801 C 0 0 0
- -2.6468 0.5004 0.1796 O 0 0 0
- 2.3396 -0.3569 -0.2763 C 0 0 0
- 2.1582 1.0944 0.1413 C 0 0 0
- -0.7199 -2.0161 0.0000 H 0 0 0
- 0.4884 -2.4750 0.0000 H 0 0 0
- -0.4440 1.8734 0.0000 H 0 0 0
- -1.1796 0.9793 0.0000 H 0 0 0
- 1.3147 -2.2490 0.0000 H 0 0 0
- 2.3164 -1.6997 0.0000 H 0 0 0
- 1.2036 2.3571 0.0000 H 0 0 0
- 0.0032 2.1808 0.0000 H 0 0 0
- 2.8682 -1.1872 0.0000 H 0 0 0
- 3.2657 -0.0234 0.0000 H 0 0 0
- 3.1425 1.0856 0.0000 H 0 0 0
- 2.2977 2.0688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 8 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66-97-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 22 1 V2000
- -0.4777 0.9299 -0.0028 C 0 0 0
- -0.5986 -0.4756 -0.0010 C 0 0 0
- 0.7831 1.5259 -0.0032 C 0 0 0
- -1.6941 1.7484 0.0018 C 0 0 0
- 0.5361 -1.2677 0.0009 C 0 0 0
- -1.8268 -1.0413 -0.0007 O 0 0 0
- 1.9148 0.7221 -0.0017 C 0 0 0
- -2.8940 1.1142 0.0076 C 0 0 0
- 1.7939 -0.6822 0.0011 C 0 0 0
- -2.9425 -0.2961 -0.0022 C 0 0 0
- 3.3596 0.9910 -0.0011 C 0 0 0
- 3.0441 -1.1884 0.0024 O 0 0 0
- -4.0261 -0.8517 -0.0019 O 0 0 0
- 3.9614 -0.2048 0.0009 C 0 0 0
- 0.8744 2.5611 0.0000 H 0 0 0
- -1.6390 2.7861 0.0000 H 0 0 0
- 0.4459 -2.3030 0.0000 H 0 0 0
- -3.7748 1.6658 0.0000 H 0 0 0
- 3.8212 1.9221 0.0000 H 0 0 0
- 4.9901 -0.3520 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 2 0
- 11 14 2 0
- 7 9 2 0
- 8 10 1 0
- 12 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 8 18 1 0
- 11 19 1 0
- 14 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-82-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.6315 0.9486 0.0017 C 0 0 0
- -1.2445 -0.2988 0.0001 C 0 0 0
- 0.7543 1.0378 0.0019 C 0 0 0
- -1.4080 2.1105 -0.0026 N 0 0 0
- -0.4737 -1.4461 -0.0014 C 0 0 0
- -2.9766 -0.4158 0.0005 Cl 0 0 0
- 1.5194 -0.1134 0.0004 C 0 0 0
- 0.9057 -1.3539 -0.0012 C 0 0 0
- 3.2519 -0.0030 0.0000 Cl 0 0 0
- 1.2166 1.9711 0.0000 H 0 0 0
- -0.9474 3.0446 0.0000 H 0 0 0
- -2.4473 2.0423 0.0000 H 0 0 0
- -0.9326 -2.3811 0.0000 H 0 0 0
- 1.4843 -2.2199 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78914-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- -1.5394 -1.4716 -0.0019 C 0 0 0
- -2.7241 -0.7308 -0.0017 C 0 0 0
- -0.3303 -0.8335 -0.0009 N 0 0 0
- -1.5964 -2.8681 0.0027 C 0 0 0
- -3.9403 -1.3815 -0.0023 C 0 0 0
- -2.6732 0.7754 -0.0004 C 0 0 0
- 0.7616 -1.5205 -0.0012 N 0 0 0
- -2.8196 -3.5047 0.0074 C 0 0 0
- -3.9890 -2.7643 -0.0030 C 0 0 0
- -4.0250 1.3053 -0.0004 O 0 0 0
- 1.9682 -0.8837 -0.0002 C 0 0 0
- -4.2256 2.6325 0.0007 C 0 0 0
- 3.1535 -1.6270 -0.0004 C 0 0 0
- 2.0235 0.5146 -0.0047 C 0 0 0
- -5.6287 3.1825 0.0007 C 0 0 0
- -3.2813 3.3862 0.0017 O 0 0 0
- 4.3689 -0.9808 0.0002 C 0 0 0
- 3.2425 1.1532 -0.0042 C 0 0 0
- 4.4197 0.4100 0.0009 C 0 0 0
- 5.6512 1.0599 0.0019 N 0 0 0
- 5.7069 2.5238 0.0027 C 0 0 0
- 6.8912 0.2797 0.0022 C 0 0 0
- -0.7153 -3.4277 0.0000 H 0 0 0
- -4.8261 -0.8294 0.0000 H 0 0 0
- -1.6407 0.6225 0.0000 H 0 0 0
- -2.4045 1.7840 0.0000 H 0 0 0
- -2.8637 -4.5476 0.0000 H 0 0 0
- -4.9121 -3.2515 0.0000 H 0 0 0
- 3.1162 -2.6701 0.0000 H 0 0 0
- 1.1413 1.0725 0.0000 H 0 0 0
- -5.2478 4.1543 0.0000 H 0 0 0
- -6.6005 3.5634 0.0000 H 0 0 0
- -6.0096 2.2107 0.0000 H 0 0 0
- 5.2536 -1.5346 0.0000 H 0 0 0
- 3.2845 2.1961 0.0000 H 0 0 0
- 6.7499 2.4841 0.0000 H 0 0 0
- 5.7466 3.5668 0.0000 H 0 0 0
- 4.6639 2.5635 0.0000 H 0 0 0
- 6.3353 -0.6038 0.0000 H 0 0 0
- 7.7747 -0.2762 0.0000 H 0 0 0
- 7.4471 1.1632 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 8 9 1 0
- 18 19 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 17 34 1 0
- 18 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 22 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-76-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- 1.4295 -0.7902 -0.2061 C 0 0 0
- 0.6694 -2.0283 0.0527 C 0 0 0
- 2.7541 -0.7494 0.0377 O 0 0 0
- 0.8621 0.1904 -0.6436 O 0 0 0
- -0.6696 -2.0282 -0.0507 C 0 0 0
- 3.5020 0.4689 -0.2170 C 0 0 0
- -1.4294 -0.7896 0.2063 C 0 0 0
- 4.9731 0.2484 0.1410 C 0 0 0
- -2.7544 -0.7494 -0.0359 O 0 0 0
- -0.8606 0.1936 0.6361 O 0 0 0
- 5.7612 1.5321 -0.1273 C 0 0 0
- -3.5020 0.4693 0.2169 C 0 0 0
- 7.2323 1.3117 0.2307 C 0 0 0
- -4.9736 0.2480 -0.1387 C 0 0 0
- -5.7614 1.5322 0.1277 C 0 0 0
- -7.2329 1.3109 -0.2279 C 0 0 0
- 1.2014 -2.9792 0.0000 H 0 0 0
- -1.2018 -2.9790 0.0000 H 0 0 0
- 3.8060 1.5153 0.0000 H 0 0 0
- 2.5056 0.9099 0.0000 H 0 0 0
- 4.6691 -0.7979 0.0000 H 0 0 0
- 5.9695 -0.1926 0.0000 H 0 0 0
- 6.0651 2.5785 0.0000 H 0 0 0
- 4.7648 1.9730 0.0000 H 0 0 0
- -2.5056 0.9102 0.0000 H 0 0 0
- -3.8062 1.5156 0.0000 H 0 0 0
- 7.0709 0.2341 0.0000 H 0 0 0
- 8.3099 1.1503 0.0000 H 0 0 0
- 7.3937 2.3893 0.0000 H 0 0 0
- -5.9700 -0.1929 0.0000 H 0 0 0
- -4.6694 -0.7983 0.0000 H 0 0 0
- -4.7650 1.9731 0.0000 H 0 0 0
- -6.0656 2.5785 0.0000 H 0 0 0
- -7.3949 2.3884 0.0000 H 0 0 0
- -8.3104 1.1489 0.0000 H 0 0 0
- -7.0709 0.2334 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 2 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17557-23-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.0000 -0.3319 -0.0036 C 0 0 0
- -1.2459 0.5504 0.0971 C 0 0 0
- 1.2459 0.5524 -0.0851 C 0 0 0
- 0.0911 -1.2288 1.2326 C 0 0 0
- -0.0911 -1.2016 -1.2591 C 0 0 0
- -2.4096 -0.2755 0.1731 O 0 0 0
- 2.4096 -0.2717 -0.1791 O 0 0 0
- -3.5336 0.6020 0.2649 C 0 0 0
- 3.5336 0.6076 -0.2517 C 0 0 0
- -4.8192 -0.2232 0.3499 C 0 0 0
- 4.8192 -0.2155 -0.3546 C 0 0 0
- -6.0228 0.7164 0.4481 C 0 0 0
- -5.6512 0.0742 -0.7732 O 0 0 0
- 6.0228 0.7260 -0.4324 C 0 0 0
- 5.6512 0.0573 0.7747 O 0 0 0
- -0.5335 1.3486 0.0000 H 0 0 0
- -1.9591 1.3479 0.0000 H 0 0 0
- 1.9583 1.3506 0.0000 H 0 0 0
- 0.5327 1.3498 0.0000 H 0 0 0
- -0.9733 -1.3369 0.0000 H 0 0 0
- 0.1992 -2.2932 0.0000 H 0 0 0
- 1.1555 -1.1207 0.0000 H 0 0 0
- -1.1551 -1.0901 0.0000 H 0 0 0
- -0.2026 -2.2656 0.0000 H 0 0 0
- 0.9729 -1.3131 0.0000 H 0 0 0
- -2.7848 1.3661 0.0000 H 0 0 0
- -4.2089 1.4318 0.0000 H 0 0 0
- 4.2080 1.4382 0.0000 H 0 0 0
- 2.7840 1.3709 0.0000 H 0 0 0
- -4.6978 -1.2862 0.0000 H 0 0 0
- 4.6844 -1.2768 0.0000 H 0 0 0
- -5.7405 1.7483 0.0000 H 0 0 0
- -7.0838 0.5790 0.0000 H 0 0 0
- 7.0854 0.6012 0.0000 H 0 0 0
- 5.7339 1.7561 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 12 13 1 0
- 14 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 5 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 14 34 1 0
- 14 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62674-12-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.0487 -1.9891 0.0015 Cl 0 0 0
- -0.3093 -0.2728 0.0029 C 0 0 0
- 0.6526 0.6526 0.0015 C 0 0 0
- -1.6175 0.3832 -0.0007 C 0 0 0
- 2.3646 0.3648 -0.0023 Cl 0 0 0
- -0.0338 1.9986 0.0035 C 0 0 0
- -2.6871 -0.1945 -0.0051 O 0 0 0
- -1.4622 1.7205 0.0015 O 0 0 0
- 0.9832 2.4030 0.0000 H 0 0 0
- -0.3419 3.0488 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 6 8 1 0
- 6 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-36-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.5137 -0.1582 -0.0666 C 0 0 0
- -1.6241 0.7110 0.0107 C 0 0 0
- 0.7850 0.3162 -0.1116 C 0 0 0
- -1.2675 -1.7620 -0.0740 S 0 0 0
- -2.8931 0.0022 0.0472 C 0 0 0
- -1.3518 2.0980 0.0406 C 0 0 0
- 1.8305 -0.5495 -0.1863 O 0 0 0
- 1.0085 1.6818 -0.0801 C 0 0 0
- -2.9089 -1.2981 0.0180 N 0 0 0
- -4.0591 0.6960 0.1217 O 0 0 0
- -0.0716 2.5530 -0.0040 C 0 0 0
- 3.0203 0.2413 -0.2165 C 0 0 0
- -5.1133 -0.2685 0.1405 C 0 0 0
- 4.2411 -0.6771 -0.3009 C 0 0 0
- 5.5150 0.1697 -0.3332 C 0 0 0
- 5.0619 -0.4856 0.8531 O 0 0 0
- -2.1464 2.7831 0.0000 H 0 0 0
- 1.9886 2.0562 0.0000 H 0 0 0
- 0.1045 3.5873 0.0000 H 0 0 0
- 3.7416 1.0032 0.0000 H 0 0 0
- 2.3447 1.0440 0.0000 H 0 0 0
- -5.8215 0.5056 0.0000 H 0 0 0
- -5.8874 -0.9767 0.0000 H 0 0 0
- -4.4051 -1.0426 0.0000 H 0 0 0
- 4.0246 -1.7037 0.0000 H 0 0 0
- 6.5416 -0.0467 0.0000 H 0 0 0
- 5.3174 1.2001 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 5 9 2 0
- 8 11 1 0
- 15 16 1 0
- 6 17 1 0
- 8 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55610-00-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.2496 0.3518 -0.0292 C 0 0 0
- 0.6084 -0.7429 -0.0096 C 0 0 0
- 0.3239 1.6282 -0.0522 C 0 0 0
- -1.6821 0.0558 -0.0177 C 0 0 0
- 0.2116 -2.0858 0.0186 C 0 0 0
- 2.0055 -0.6451 -0.0148 C 0 0 0
- 1.7152 1.7462 -0.0578 C 0 0 0
- -0.2227 2.8740 -0.0714 O 0 0 0
- -2.0774 -1.3070 0.0176 C 0 0 0
- -2.6471 1.0613 -0.0411 C 0 0 0
- -1.1246 -2.3539 0.0278 C 0 0 0
- 1.3788 -2.8454 0.0299 N 0 0 0
- 2.5518 0.6317 -0.0402 C 0 0 0
- 2.4682 -2.0358 0.0107 C 0 0 0
- 2.0311 3.0772 -0.0821 O 0 0 0
- 0.8351 3.7655 0.3264 C 0 0 0
- -3.4502 -1.6080 0.0322 C 0 0 0
- -3.9725 0.7303 -0.0284 C 0 0 0
- 3.6291 -2.4016 0.0136 O 0 0 0
- -4.3685 -0.6019 0.0092 C 0 0 0
- -2.3580 2.0643 0.0000 H 0 0 0
- -1.4502 -3.3456 0.0000 H 0 0 0
- 1.4112 -3.8887 0.0000 H 0 0 0
- 3.5881 0.7565 0.0000 H 0 0 0
- 1.4570 4.6038 0.0000 H 0 0 0
- 0.0745 4.4804 0.0000 H 0 0 0
- -3.7662 -2.6028 0.0000 H 0 0 0
- -4.6941 1.4845 0.0000 H 0 0 0
- -5.3859 -0.8352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 2 0
- 14 19 2 0
- 17 20 2 0
- 7 13 1 0
- 9 11 2 0
- 12 14 1 0
- 15 16 1 0
- 18 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.8136 0.1190 0.0036 C 0 0 0
- 0.0282 -0.9773 0.0031 C 0 0 0
- -0.2885 1.3980 0.0019 C 0 0 0
- -2.2806 -0.0767 -0.0004 N 0 3 0
- 1.4035 -0.7952 0.0010 C 0 0 0
- 1.0813 1.5871 -0.0002 C 0 0 0
- -3.0238 0.8883 0.0000 O 0 0 0
- -2.7448 -1.2028 -0.0040 O 0 5 0
- 1.9317 0.4939 -0.0007 C 0 0 0
- 2.2581 -1.9037 0.0010 N 0 0 0
- 3.2792 0.6785 -0.0032 O 0 0 0
- -0.3682 -1.9357 0.0000 H 0 0 0
- -0.9237 2.2178 0.0000 H 0 0 0
- 1.4720 2.5478 0.0000 H 0 0 0
- 1.8634 -2.8628 0.0000 H 0 0 0
- 3.2860 -1.7660 0.0000 H 0 0 0
- 4.3067 0.8193 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-540-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.5535 -0.4713 0.3247 N 0 0 0
- -0.5535 0.4713 0.3247 N 0 0 0
- 1.6649 0.1828 -0.3788 C 0 0 0
- -1.6649 -0.1828 -0.3788 C 0 0 0
- 0.4697 -1.4349 0.0000 H 0 0 0
- -0.4697 1.4349 0.0000 H 0 0 0
- 2.1555 -0.6507 0.0000 H 0 0 0
- 2.4984 0.6734 0.0000 H 0 0 0
- 1.1743 1.0163 0.0000 H 0 0 0
- -2.1555 0.6507 0.0000 H 0 0 0
- -2.4984 -0.6734 0.0000 H 0 0 0
- -1.1743 -1.0163 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-363-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.3188 0.0008 -0.0036 C 0 0 0
- -1.1492 -0.1587 -0.0219 C 0 0 0
- 0.9207 1.3434 0.1998 C 0 0 0
- 1.1232 -1.0789 -0.1669 C 0 0 0
- -1.7775 -0.9873 0.9130 C 0 0 0
- -1.9179 0.5224 -0.9702 C 0 0 0
- 2.3885 1.4946 0.2173 C 0 0 0
- 0.2071 2.3137 0.3509 O 0 0 0
- 2.5815 -0.9149 -0.1474 C 0 0 0
- -3.1483 -1.1309 0.8901 C 0 0 0
- -3.2882 0.3690 -0.9808 C 0 0 0
- 3.1760 0.4234 0.0501 C 0 0 0
- 3.3024 -1.8827 -0.2938 O 0 0 0
- -3.9028 -0.4571 -0.0555 C 0 0 0
- 0.7214 -2.0053 0.0000 H 0 0 0
- -1.2817 -1.8670 0.0000 H 0 0 0
- -1.6129 1.4851 0.0000 H 0 0 0
- 2.7976 2.4178 0.0000 H 0 0 0
- -3.4586 -2.0919 0.0000 H 0 0 0
- -3.7911 1.2447 0.0000 H 0 0 0
- 4.1799 0.5322 0.0000 H 0 0 0
- -4.9074 -0.5590 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 9 13 2 0
- 10 14 1 0
- 9 12 1 0
- 11 14 2 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-90-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.5030 0.0406 -0.3530 C 0 0 0
- -0.7119 0.7272 0.2742 C 0 0 0
- 1.7739 0.7995 0.0339 C 0 0 0
- 0.5905 -1.3420 0.1357 N 0 0 0
- -1.9321 -0.0015 -0.0972 N 0 0 0
- -0.3920 -0.5203 0.0000 H 0 0 0
- -0.0419 1.5438 0.0000 H 0 0 0
- -1.4012 1.5275 0.0000 H 0 0 0
- 2.3154 -0.1074 0.0000 H 0 0 0
- 2.6808 1.3410 0.0000 H 0 0 0
- 1.2324 1.7064 0.0000 H 0 0 0
- -0.2891 -1.9269 0.0000 H 0 0 0
- 1.5368 -1.8113 0.0000 H 0 0 0
- -2.8546 0.5131 0.0000 H 0 0 0
- -1.9165 -1.0577 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23045-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.9340 0.3914 -0.0039 C 0 0 0
- -0.7935 -1.0215 -0.0027 C 0 0 0
- 0.2183 1.2018 -0.0031 C 0 0 0
- -2.2183 0.9624 0.0000 C 0 0 0
- 0.4130 -1.5856 -0.0003 N 0 0 0
- -1.9553 -1.8205 -0.0035 C 0 0 0
- 1.4724 0.5594 -0.0010 C 0 0 0
- 0.1223 2.5767 -0.0037 N 0 0 0
- -3.3141 0.1560 0.0048 C 0 0 0
- 1.5296 -0.8591 0.0005 C 0 0 0
- -3.1806 -1.2325 -0.0054 C 0 0 0
- 2.6647 1.3034 -0.0001 C 0 0 0
- -4.6900 0.7709 0.0094 C 0 0 0
- 2.7911 -1.4889 0.0030 C 0 0 0
- 3.8621 0.6573 0.0019 C 0 0 0
- 3.9229 -0.7363 0.0047 C 0 0 0
- -2.3315 2.0064 0.0000 H 0 0 0
- -1.8740 -2.8675 0.0000 H 0 0 0
- 0.9929 3.1638 0.0000 H 0 0 0
- -0.8215 3.0371 0.0000 H 0 0 0
- -4.0416 -1.8337 0.0000 H 0 0 0
- 2.6316 2.3530 0.0000 H 0 0 0
- -4.2615 1.7296 0.0000 H 0 0 0
- -5.6487 1.1994 0.0000 H 0 0 0
- -5.1185 -0.1878 0.0000 H 0 0 0
- 2.8560 -2.5370 0.0000 H 0 0 0
- 4.7519 1.2149 0.0000 H 0 0 0
- 4.8591 -1.2121 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 10 2 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1576-87-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.7132 0.1600 -0.4784 C 0 0 0
- -0.4171 0.2220 0.2285 C 0 0 0
- 2.0202 0.5645 0.1534 C 0 0 0
- -1.6856 -0.1705 -0.3847 C 0 0 0
- 2.9837 -0.6240 0.1376 C 0 0 0
- -2.7131 -0.1141 0.2579 O 0 0 0
- 0.8351 -0.8284 0.0000 H 0 0 0
- -0.5389 1.2104 0.0000 H 0 0 0
- 2.8670 1.0886 0.0000 H 0 0 0
- 1.6076 1.4709 0.0000 H 0 0 0
- -1.5638 -1.1589 0.0000 H 0 0 0
- 2.2101 -1.2511 0.0000 H 0 0 0
- 3.6108 -1.3976 0.0000 H 0 0 0
- 3.7573 0.0031 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1555-94-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.4790 -0.2607 0.0018 C 0 0 0
- -1.4936 0.7277 0.0012 C 0 0 0
- 0.8724 0.1448 0.0006 C 0 0 0
- -0.8105 -1.5546 -0.0020 N 0 0 0
- -1.1394 2.0869 -0.0010 C 0 0 0
- -2.8412 0.3218 0.0025 C 0 0 0
- 1.1779 1.4759 -0.0011 C 0 0 0
- 1.8641 -0.7835 0.0016 O 0 0 0
- -2.0646 -1.9369 -0.0063 C 0 0 0
- 0.1752 2.4420 -0.0026 C 0 0 0
- -3.1109 -1.0174 0.0042 C 0 0 0
- 3.1005 -0.0671 -0.0001 C 0 0 0
- 4.2649 -1.0595 0.0010 C 0 0 0
- -1.8812 2.8222 0.0000 H 0 0 0
- -3.6136 1.0249 0.0000 H 0 0 0
- 2.1790 1.7738 0.0000 H 0 0 0
- -2.2849 -2.9579 0.0000 H 0 0 0
- 0.4351 3.4536 0.0000 H 0 0 0
- -4.1005 -1.3515 0.0000 H 0 0 0
- 3.8635 0.6462 0.0000 H 0 0 0
- 2.4781 0.7717 0.0000 H 0 0 0
- 3.5874 -1.8544 0.0000 H 0 0 0
- 5.0598 -1.7370 0.0000 H 0 0 0
- 4.9424 -0.2646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 7 10 1 0
- 9 11 2 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32959-60-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.1667 -0.1570 0.0125 C 0 0 0
- -1.6440 -0.2091 0.0109 C 0 0 0
- 0.5827 -0.1507 1.0855 N 0 0 0
- 0.6054 -0.1150 -1.0898 O 0 0 0
- -2.3869 0.9723 0.0197 C 0 0 0
- -2.3020 -1.4401 -0.0052 C 0 0 0
- 1.8857 -0.0977 0.7077 C 0 0 0
- 1.8978 -0.0747 -0.6965 C 0 0 0
- -3.7656 0.9166 0.0177 C 0 0 0
- -1.6849 2.3057 0.0318 C 0 0 0
- -3.6808 -1.4817 -0.0070 C 0 0 0
- 3.0933 -0.0686 1.4098 C 0 0 0
- 3.1060 -0.0238 -1.3744 C 0 0 0
- -4.4115 -0.3066 0.0070 C 0 0 0
- 4.2831 -0.0141 0.7194 C 0 0 0
- 4.2902 0.0078 -0.6677 C 0 0 0
- -1.7888 -2.2678 0.0000 H 0 0 0
- -4.2851 1.7404 0.0000 H 0 0 0
- -0.8231 1.8520 0.0000 H 0 0 0
- -1.2312 3.1675 0.0000 H 0 0 0
- -2.5467 2.7594 0.0000 H 0 0 0
- -4.1410 -2.3400 0.0000 H 0 0 0
- 3.1273 -1.0419 0.0000 H 0 0 0
- 3.0725 0.9495 0.0000 H 0 0 0
- -5.3848 -0.3409 0.0000 H 0 0 0
- 4.8737 -0.7885 0.0000 H 0 0 0
- 5.0702 0.5910 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 12 15 2 0
- 13 16 2 0
- 7 8 2 0
- 11 14 1 0
- 15 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82-50-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.9482 0.4533 0.0908 C 0 0 0
- -0.0311 1.4643 0.0893 C 0 0 0
- 2.2903 0.7929 -0.0384 C 0 0 0
- 0.5392 -0.9623 0.2239 C 0 0 0
- -1.4587 1.1012 0.2261 C 0 0 0
- 0.3514 2.7946 -0.0416 C 0 0 0
- 2.6543 2.1229 -0.1677 C 0 0 0
- 3.5241 -0.4650 -0.0382 S 0 0 0
- -0.8847 -1.3221 0.0459 C 0 0 0
- 1.3630 -1.8191 0.4759 O 0 0 0
- -1.8639 -0.3115 0.0555 C 0 0 0
- -2.2885 1.9528 0.4759 O 0 0 0
- 1.6925 3.1158 -0.1701 C 0 0 0
- 4.8489 0.1970 -0.3893 O 0 0 0
- 3.6482 -0.8838 1.3140 O 0 0 0
- 3.2126 -1.3116 -1.1361 O 0 0 0
- -1.2637 -2.6499 -0.1202 C 0 0 0
- -3.2033 -0.6490 -0.1068 C 0 0 0
- -2.6009 -2.9682 -0.2858 C 0 0 0
- -3.5642 -1.9761 -0.2658 C 0 0 0
- -4.2400 0.4075 -0.1090 N 0 3 0
- -5.2373 0.2837 0.5793 O 0 0 0
- -4.0958 1.4008 -0.7990 O 0 5 0
- -0.3651 3.5440 0.0000 H 0 0 0
- 3.6585 2.3806 0.0000 H 0 0 0
- 1.9821 4.1113 0.0000 H 0 0 0
- 5.7763 0.6604 0.0000 H 0 0 0
- -0.5470 -3.3991 0.0000 H 0 0 0
- -2.8906 -3.9637 0.0000 H 0 0 0
- -4.5681 -2.2352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 8 14 1 0
- 8 15 2 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 21 22 2 0
- 21 23 1 0
- 7 13 2 0
- 9 11 2 0
- 19 20 1 0
- 6 24 1 0
- 7 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62-56-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.4994 0.0000 0.0016 C 0 0 0
- 1.1733 -1.1672 -0.0005 N 0 0 0
- 1.1733 1.1672 -0.0005 N 0 0 0
- -1.2126 0.0000 -0.0002 S 0 0 0
- 0.6679 -2.0426 0.0000 H 0 0 0
- 2.1841 -1.1672 0.0000 H 0 0 0
- 2.1841 1.1672 0.0000 H 0 0 0
- 0.6679 2.0426 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60784-46-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.2378 -0.5094 -0.4278 N 0 0 0
- -0.7293 0.4288 -0.4604 C 0 0 0
- 1.6348 -0.1295 -0.6523 C 0 0 0
- -0.0660 -1.7410 -0.1938 N 0 0 0
- -2.0144 0.0793 -0.2539 N 0 0 0
- -0.4425 1.5895 -0.6759 O 0 0 0
- 2.2883 0.2242 0.6851 C 0 0 0
- 0.8079 -2.5889 -0.1644 O 0 0 0
- -3.0656 1.0991 -0.2893 C 0 0 0
- 4.0075 0.6918 0.4089 Cl 0 0 0
- -4.4223 0.4424 -0.0263 C 0 0 0
- -4.4079 -0.1824 1.2588 O 0 0 0
- 1.4548 -1.1120 0.0000 H 0 0 0
- 2.4431 -0.7163 0.0000 H 0 0 0
- -2.2638 -0.8879 0.0000 H 0 0 0
- 2.4683 1.2067 0.0000 H 0 0 0
- 1.4800 0.8110 0.0000 H 0 0 0
- -2.2914 1.7302 0.0000 H 0 0 0
- -3.6024 1.9414 0.0000 H 0 0 0
- -4.7253 1.3942 0.0000 H 0 0 0
- -5.4075 0.2777 0.0000 H 0 0 0
- -4.3849 -1.1810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84174-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.3856 0.6932 0.5509 C 0 0 0
- -1.8072 1.0946 0.8495 C 0 0 0
- 0.5063 1.6263 0.0555 C 0 0 0
- 0.0275 -0.6061 0.7778 C 0 0 0
- -2.7183 0.3511 -0.0242 N 0 0 0
- 1.8101 1.2590 -0.2181 C 0 0 0
- 1.3315 -0.9747 0.5045 C 0 0 0
- -3.0846 -0.8443 0.2935 N 0 0 0
- -3.2133 0.9651 -1.2588 C 0 0 0
- 2.2229 -0.0429 0.0039 C 0 0 0
- -3.8421 -1.4624 -0.4330 O 0 0 0
- 3.8607 -0.5051 -0.3396 Cl 0 0 0
- -1.3501 1.9750 0.0000 H 0 0 0
- -2.5769 1.7204 0.0000 H 0 0 0
- 0.2449 2.5832 0.0000 H 0 0 0
- -0.6625 -1.3188 0.0000 H 0 0 0
- 2.5001 1.9717 0.0000 H 0 0 0
- 1.5923 -1.9318 0.0000 H 0 0 0
- -2.4410 1.5877 0.0000 H 0 0 0
- -3.8359 1.7374 0.0000 H 0 0 0
- -3.9856 0.3425 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 2 0
- 10 12 1 0
- 7 10 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-623-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -2.6130 0.0131 -1.2330 C 0 0 0
- -3.9969 -0.0017 0.1633 Br 0 0 0
- -1.2503 0.0062 -0.5897 C 0 0 0
- -0.6254 -1.1938 -0.3073 C 0 0 0
- -0.6227 1.2004 -0.2871 C 0 0 0
- 0.6248 -1.2001 0.2829 C 0 0 0
- 0.6272 1.1941 0.3029 C 0 0 0
- 1.2498 -0.0063 0.5906 C 0 0 0
- 2.6125 -0.0132 1.2340 C 0 0 0
- 3.9965 0.0016 -0.1623 Br 0 0 0
- -2.1059 0.8917 0.0000 H 0 0 0
- -3.1250 0.8889 0.0000 H 0 0 0
- -1.1538 -2.0598 0.0000 H 0 0 0
- -1.1451 2.0700 0.0000 H 0 0 0
- 1.1479 -2.0693 0.0000 H 0 0 0
- 1.1563 2.0596 0.0000 H 0 0 0
- 2.1054 -0.8918 0.0000 H 0 0 0
- 3.1245 -0.8890 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 10 9 1 0
- 7 8 1 0
- 1 11 1 0
- 1 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89873-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 1.1836 0.0011 -0.8074 C 0 0 0
- 1.7395 -1.2060 -0.3330 C 0 0 0
- 1.7472 1.2061 -0.3459 C 0 0 0
- 0.1311 0.0006 -1.6947 N 0 0 0
- 2.8281 -1.1756 0.5768 C 0 0 0
- 1.2212 -2.4426 -0.7552 C 0 0 0
- 2.8698 1.1507 0.5931 C 0 0 0
- 1.2620 2.4562 -0.7610 C 0 0 0
- -1.1695 0.0048 -1.2246 C 0 0 0
- 3.3456 -0.0226 0.9996 N 0 0 0
- 3.3642 -2.3977 1.0362 C 0 0 0
- 1.7667 -3.5986 -0.2885 C 0 0 0
- 3.4249 2.3640 1.0475 C 0 0 0
- 1.8425 3.5915 -0.2841 C 0 0 0
- -2.2367 0.0043 -2.1313 C 0 0 0
- -1.4105 0.0036 0.1544 C 0 0 0
- 2.8366 -3.5737 0.6058 C 0 0 0
- 2.9109 3.5434 0.6083 C 0 0 0
- -3.5187 0.0079 -1.6791 C 0 0 0
- -2.6856 0.0073 0.6264 C 0 0 0
- -3.7733 0.0122 -0.2836 C 0 0 0
- -5.0197 0.0157 0.1668 N 0 0 0
- -5.2174 0.0191 1.2733 N 0 3 0
- -5.4151 0.0225 2.3798 N 0 5 0
- 0.1298 -0.9490 0.0000 H 0 0 0
- 0.2719 -2.4635 0.0000 H 0 0 0
- 0.3137 2.5048 0.0000 H 0 0 0
- 4.3138 -2.4017 0.0000 H 0 0 0
- 1.2677 -4.4065 0.0000 H 0 0 0
- 4.3744 2.3554 0.0000 H 0 0 0
- 1.3653 4.4124 0.0000 H 0 0 0
- -2.2378 -0.9453 0.0000 H 0 0 0
- -1.4095 -0.9460 0.0000 H 0 0 0
- 3.3619 -4.3648 0.0000 H 0 0 0
- 3.4489 4.3258 0.0000 H 0 0 0
- -3.5281 -0.9416 0.0000 H 0 0 0
- -2.6891 -0.9423 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 21 22 1 0
- 22 23 2 0
- 23 24 2 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 20 21 2 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-548-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 61 1 V2000
- 0.7006 0.0812 -0.0011 C 0 0 0
- -0.7004 0.0824 -0.0034 C 0 0 0
- 1.4195 1.3426 -0.1389 C 0 0 0
- 1.4215 -1.1772 0.1448 C 0 0 0
- -1.4171 1.3448 0.1370 C 0 0 0
- -1.4236 -1.1750 -0.1468 C 0 0 0
- 0.6979 2.5572 -0.2336 C 0 0 0
- 2.8292 1.3377 -0.1916 C 0 0 0
- 0.7081 -2.3961 0.1866 C 0 0 0
- 2.8326 -1.1695 0.2279 C 0 0 0
- -0.6933 2.5579 0.2348 C 0 0 0
- -2.8268 1.3423 0.1892 C 0 0 0
- -0.7123 -2.3952 -0.1861 C 0 0 0
- -2.8347 -1.1649 -0.2304 C 0 0 0
- 1.3725 3.6550 -0.7595 C 0 0 0
- 3.5646 0.0905 0.0613 C 0 0 0
- 3.4924 2.5188 -0.5377 C 0 0 0
- 1.3992 -3.5514 0.5836 C 0 0 0
- 3.5052 -2.3730 0.4749 C 0 0 0
- -1.3660 3.6556 0.7631 C 0 0 0
- -3.5643 0.0970 -0.0666 C 0 0 0
- -3.4880 2.5237 0.5380 C 0 0 0
- -1.4055 -3.5502 -0.5806 C 0 0 0
- -3.5095 -2.3675 -0.4754 C 0 0 0
- 2.7488 3.6506 -0.8576 C 0 0 0
- 0.6468 4.8214 -1.3853 C 0 0 0
- 4.7820 0.1020 0.1245 O 0 0 0
- 4.8454 2.5689 -0.5764 O 0 0 0
- 2.7811 -3.5412 0.6733 C 0 0 0
- 0.7421 -4.6769 0.9580 O 0 0 0
- 4.8588 -2.4092 0.5329 O 0 0 0
- -2.7423 3.6535 0.8609 C 0 0 0
- -0.6383 4.8193 1.3912 C 0 0 0
- -4.7816 0.1110 -0.1307 O 0 0 0
- -4.8410 2.5763 0.5771 O 0 0 0
- -2.7874 -3.5375 -0.6710 C 0 0 0
- -0.7505 -4.6777 -0.9516 O 0 0 0
- -4.8631 -2.4013 -0.5345 O 0 0 0
- 3.2412 4.5598 0.0000 H 0 0 0
- 1.5248 5.3676 0.0000 H 0 0 0
- 0.1006 5.6994 0.0000 H 0 0 0
- -0.2312 4.2752 0.0000 H 0 0 0
- 5.8787 2.6072 0.0000 H 0 0 0
- 3.2874 -4.4428 0.0000 H 0 0 0
- 0.2208 -5.5699 0.0000 H 0 0 0
- 5.8925 -2.4368 0.0000 H 0 0 0
- -3.2330 4.5637 0.0000 H 0 0 0
- 0.2384 4.2711 0.0000 H 0 0 0
- -0.0901 5.6960 0.0000 H 0 0 0
- -1.5150 5.3675 0.0000 H 0 0 0
- -5.8742 2.6165 0.0000 H 0 0 0
- -3.2954 -4.4382 0.0000 H 0 0 0
- -0.2311 -5.5718 0.0000 H 0 0 0
- -5.8968 -2.4271 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 8 16 1 0
- 8 17 1 0
- 9 18 2 0
- 10 19 1 0
- 11 20 2 0
- 12 21 1 0
- 12 22 1 0
- 13 23 2 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 2 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 21 34 2 0
- 22 35 1 0
- 23 36 1 0
- 23 37 1 0
- 24 38 1 0
- 7 11 1 0
- 9 13 1 0
- 10 16 1 0
- 14 21 1 0
- 17 25 2 0
- 19 29 2 0
- 22 32 2 0
- 24 36 2 0
- 25 39 1 0
- 26 40 1 0
- 26 41 1 0
- 26 42 1 0
- 28 43 1 0
- 29 44 1 0
- 30 45 1 0
- 31 46 1 0
- 32 47 1 0
- 33 48 1 0
- 33 49 1 0
- 33 50 1 0
- 35 51 1 0
- 36 52 1 0
- 37 53 1 0
- 38 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89837-94-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.3397 0.1471 -0.0084 N 0 0 0
- 0.5397 -0.7477 0.7480 C 0 0 0
- -1.4036 -0.4090 -0.8481 C 0 0 0
- -0.1808 1.4249 0.0692 N 0 0 0
- 1.6935 -1.0921 -0.0635 O 0 0 0
- -2.6643 -0.5492 -0.0344 C 0 0 0
- -0.9119 2.1688 -0.5596 O 0 0 0
- 2.7986 -0.3317 -0.0157 C 0 0 0
- -3.9139 -1.1018 -0.6702 C 0 0 0
- -2.6732 -0.2186 1.1270 O 0 0 0
- 3.9961 -0.6891 -0.8580 C 0 0 0
- 2.8333 0.6392 0.7026 O 0 0 0
- -0.3157 -1.1308 0.0000 H 0 0 0
- 0.6011 -1.6830 0.0000 H 0 0 0
- -1.6709 -1.3073 0.0000 H 0 0 0
- -0.6802 -1.0050 0.0000 H 0 0 0
- -4.2930 -0.2446 0.0000 H 0 0 0
- -4.7711 -1.4809 0.0000 H 0 0 0
- -3.5348 -1.9590 0.0000 H 0 0 0
- 3.7280 -1.5872 0.0000 H 0 0 0
- 4.8942 -0.9572 0.0000 H 0 0 0
- 4.2642 0.2090 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 10 2 0
- 8 11 1 0
- 8 12 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.6964 0.3492 -0.4629 C 0 0 0
- -3.0456 -0.3670 -0.3761 C 0 0 0
- -2.5894 0.5306 0.6379 O 0 0 0
- -0.5798 -0.6161 -0.0599 C 0 0 0
- 0.6804 0.0528 -0.1409 O 0 0 0
- 1.6771 -0.8956 0.2452 C 0 0 0
- 3.0370 -0.2496 0.1809 C 0 0 0
- 3.1508 1.0018 -0.1893 C 0 0 0
- -1.2330 1.2925 0.0000 H 0 0 0
- -4.0846 -0.2091 0.0000 H 0 0 0
- -2.8692 -1.4031 0.0000 H 0 0 0
- -1.3597 -1.3206 0.0000 H 0 0 0
- 0.0234 -1.4767 0.0000 H 0 0 0
- 0.8652 -1.5629 0.0000 H 0 0 0
- 2.2404 -1.7828 0.0000 H 0 0 0
- 3.8990 -0.8508 0.0000 H 0 0 0
- 4.1048 1.4427 0.0000 H 0 0 0
- 2.2920 1.6075 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 2 0
- 2 3 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25834-80-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.8619 1.0553 0.6026 C 0 0 0
- 0.0429 0.1511 -0.0451 C 0 0 0
- 1.8662 0.5716 1.6168 C 0 0 0
- 0.7628 2.4103 0.3140 C 0 0 0
- -0.8788 0.5941 -0.9757 C 0 0 0
- 2.9900 -0.1416 0.9101 C 0 0 0
- -0.1605 2.8514 -0.6259 C 0 0 0
- 1.5897 3.3273 0.9667 N 0 0 0
- -1.7707 -0.3954 -1.6803 C 0 0 0
- -0.9844 1.9433 -1.2609 C 0 0 0
- 4.0284 0.5849 0.3573 C 0 0 0
- 2.9832 -1.5218 0.8209 C 0 0 0
- -3.0380 -0.5832 -0.8868 C 0 0 0
- 5.0600 -0.0656 -0.2911 C 0 0 0
- 4.0114 -2.1785 0.1742 C 0 0 0
- -4.1315 0.2267 -1.1317 C 0 0 0
- -3.1065 -1.5690 0.0808 C 0 0 0
- 5.0535 -1.4512 -0.3874 C 0 0 0
- -5.2946 0.0573 -0.4062 C 0 0 0
- -4.2661 -1.7438 0.8097 C 0 0 0
- 6.0948 -2.1122 -1.0427 N 0 0 0
- -5.3649 -0.9281 0.5701 C 0 0 0
- -6.5394 -1.1018 1.3059 N 0 0 0
- 0.2207 -0.7567 0.0000 H 0 0 0
- 2.6687 1.0317 0.0000 H 0 0 0
- 1.8330 1.4960 0.0000 H 0 0 0
- -0.3390 3.7591 0.0000 H 0 0 0
- 2.4944 3.1343 0.0000 H 0 0 0
- 1.3045 4.2073 0.0000 H 0 0 0
- -1.9057 -1.3105 0.0000 H 0 0 0
- -0.9338 -0.7894 0.0000 H 0 0 0
- -1.8597 2.2425 0.0000 H 0 0 0
- 4.0063 1.5097 0.0000 H 0 0 0
- 2.1708 -1.9643 0.0000 H 0 0 0
- 5.8710 0.3793 0.0000 H 0 0 0
- 4.0303 -3.1033 0.0000 H 0 0 0
- -3.9058 1.1238 0.0000 H 0 0 0
- -2.4267 -2.1963 0.0000 H 0 0 0
- -5.9723 0.6870 0.0000 H 0 0 0
- -4.4900 -2.6413 0.0000 H 0 0 0
- 6.0560 -3.0364 0.0000 H 0 0 0
- 6.9146 -1.6837 0.0000 H 0 0 0
- -7.1141 -0.3770 0.0000 H 0 0 0
- -6.8797 -1.9620 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 2 0
- 13 16 2 0
- 13 17 1 0
- 14 18 2 0
- 16 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 2 0
- 22 23 1 0
- 7 10 2 0
- 15 18 1 0
- 20 22 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 12 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
- 23 43 1 0
- 23 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118745-15-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -0.5599 0.0456 0.0459 C 0 0 0
- -1.9678 0.1089 0.0121 C 0 0 0
- 0.1871 1.2416 -0.0121 C 0 0 0
- 0.0690 -1.2163 0.1430 C 0 0 0
- -2.6143 1.3619 -0.0794 C 0 0 0
- -2.7283 -1.0803 0.0694 C 0 0 0
- 1.6551 1.1937 0.0215 C 0 0 0
- -0.4794 2.4732 -0.1022 C 0 0 0
- 1.5359 -1.2939 0.1790 C 0 0 0
- -0.7082 -2.3825 0.2037 C 0 0 0
- -1.8380 2.5385 -0.1365 C 0 0 0
- -4.0152 1.4053 -0.1118 C 0 0 0
- -2.0668 -2.3237 0.1606 C 0 0 0
- -4.1272 -0.9965 0.0345 C 0 0 0
- 2.3192 -0.0461 0.1117 C 0 0 0
- 2.4047 2.3732 -0.0359 C 0 0 0
- 2.1421 -2.4604 0.2696 N 0 0 0
- -4.7468 0.2350 -0.0546 C 0 0 0
- 3.7135 -0.0831 0.1426 C 0 0 0
- 3.7793 2.3134 -0.0040 C 0 0 0
- 2.4454 -3.0692 -0.7408 O 0 0 0
- 4.4316 1.0912 0.0849 C 0 0 0
- 0.0802 3.3629 0.0000 H 0 0 0
- -0.2323 -3.3197 0.0000 H 0 0 0
- -2.3138 3.4757 0.0000 H 0 0 0
- -4.5104 2.3324 0.0000 H 0 0 0
- -2.6274 -3.2128 0.0000 H 0 0 0
- -4.7052 -1.8744 0.0000 H 0 0 0
- 1.9188 3.3052 0.0000 H 0 0 0
- -5.7967 0.2836 0.0000 H 0 0 0
- 4.2153 -1.0067 0.0000 H 0 0 0
- 4.3394 3.2028 0.0000 H 0 0 0
- 5.4822 1.0604 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 2 0
- 19 22 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 2 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94730-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 80 85 1 V2000
- -0.5898 -1.5554 0.1931 C 0 0 0
- -1.4675 -2.4080 0.8140 C 0 0 0
- 0.8364 -1.9379 -0.1094 C 0 0 2
- -1.0083 -0.2747 -0.1918 C 0 0 0
- -2.7853 -2.0014 1.0611 C 0 0 0
- -1.0735 -3.7920 1.2622 C 0 0 0
- 1.2606 -3.1417 0.7288 C 0 0 0
- 1.6930 -0.8330 0.1861 O 0 0 0
- -2.3154 0.1444 0.0460 C 0 0 0
- -0.1334 0.5640 -0.8005 O 0 0 0
- -3.2171 -0.7310 0.6841 C 0 0 0
- -3.6479 -2.8512 1.6717 O 0 0 0
- 0.2059 -4.2419 0.5605 C 0 0 2
- 2.6695 -0.7773 -0.8558 C 0 0 1
- -2.7555 1.4908 -0.3601 C 0 0 0
- -4.6023 -0.3026 0.9435 C 0 0 0
- -0.0691 -4.4619 -0.9047 C 0 0 0
- 0.6769 -5.4557 1.1496 O 0 0 0
- 3.1873 0.6563 -0.9935 C 0 0 0
- 3.7504 -1.6533 -0.5417 O 0 0 0
- -4.1425 1.9192 -0.1040 C 0 0 0
- -1.9754 2.2474 -0.9062 O 0 0 0
- -5.0429 1.0483 0.5372 C 0 0 0
- -5.3817 -1.0588 1.4902 O 0 0 0
- 0.8166 -5.3791 -1.7082 C 0 0 0
- -0.9991 -3.9033 -1.4351 O 0 0 0
- 3.7985 1.0969 0.3414 C 0 0 2
- 4.2034 -1.3264 0.7706 C 0 0 2
- -4.5690 3.1944 -0.4875 C 0 0 0
- -6.3489 1.4622 0.7779 C 0 0 0
- 0.3555 -5.4227 -3.0601 O 0 0 0
- 4.4423 2.4069 0.1764 N 0 0 0
- 4.8468 0.0622 0.7660 C 0 0 1
- 5.2313 -2.3631 1.2283 C 0 0 0
- -5.8808 3.5865 -0.2397 C 0 0 0
- -3.7077 4.0454 -1.0980 O 0 0 0
- -6.7568 2.7295 0.3951 C 0 0 0
- 3.3630 3.3916 0.0250 C 0 0 0
- 5.1140 2.7101 1.4470 C 0 0 0
- 5.9354 0.0797 -0.1594 O 0 0 0
- -4.4324 5.2488 -1.3603 C 0 0 0
- 3.9543 4.8019 0.0216 C 0 0 0
- 2.6557 3.1531 -1.2437 C 0 0 0
- 5.6615 4.1374 1.4080 C 0 0 0
- 4.5835 5.0636 1.2758 O 0 0 0
- 2.1098 2.9690 -2.2228 N 0 0 0
- 0.1512 -2.6778 0.0000 H 0 0 0
- -2.0793 -3.8647 0.0000 H 0 0 0
- -1.2072 -4.7916 0.0000 H 0 0 0
- 1.8714 -3.9442 0.0000 H 0 0 0
- 2.1482 -2.6629 0.0000 H 0 0 0
- 0.5946 1.2619 0.0000 H 0 0 0
- -4.3663 -3.5589 0.0000 H 0 0 0
- 2.3599 -1.7371 0.0000 H 0 0 0
- 1.0417 -6.3959 0.0000 H 0 0 0
- 2.8884 1.6195 0.0000 H 0 0 0
- 2.1791 0.6794 0.0000 H 0 0 0
- 1.1327 -6.3368 0.0000 H 0 0 0
- 1.6798 -4.8577 0.0000 H 0 0 0
- 3.0281 1.7477 0.0000 H 0 0 0
- 3.4255 -0.6846 0.0000 H 0 0 0
- -7.0604 0.7475 0.0000 H 0 0 0
- -0.6485 -5.5176 0.0000 H 0 0 0
- 5.2222 0.9982 0.0000 H 0 0 0
- 4.5152 -3.0732 0.0000 H 0 0 0
- 5.9414 -3.0792 0.0000 H 0 0 0
- 5.9474 -1.6530 0.0000 H 0 0 0
- -6.1225 4.5656 0.0000 H 0 0 0
- -7.7358 2.9716 0.0000 H 0 0 0
- 2.6759 4.1298 0.0000 H 0 0 0
- 5.2752 1.7146 0.0000 H 0 0 0
- 6.1171 2.6066 0.0000 H 0 0 0
- 6.9437 0.0959 0.0000 H 0 0 0
- -3.5685 5.7691 0.0000 H 0 0 0
- -4.9527 6.1127 0.0000 H 0 0 0
- -5.2963 4.7285 0.0000 H 0 0 0
- 3.8231 5.8018 0.0000 H 0 0 0
- 2.9548 4.9359 0.0000 H 0 0 0
- 6.5556 3.6710 0.0000 H 0 0 0
- 6.2270 4.9724 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 2 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 25 31 1 0
- 27 32 1 0
- 27 33 1 0
- 28 34 1 0
- 29 35 2 0
- 29 36 1 0
- 30 37 2 0
- 32 38 1 0
- 32 39 1 0
- 33 40 1 0
- 36 41 1 0
- 38 42 1 0
- 38 43 1 0
- 39 44 1 0
- 42 45 1 0
- 43 46 3 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 33 1 0
- 35 37 1 0
- 44 45 1 0
- 3 47 1 0
- 6 48 1 0
- 6 49 1 0
- 7 50 1 0
- 7 51 1 0
- 10 52 1 0
- 12 53 1 0
- 14 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 25 58 1 0
- 25 59 1 0
- 27 60 1 0
- 28 61 1 0
- 30 62 1 0
- 31 63 1 0
- 33 64 1 0
- 34 65 1 0
- 34 66 1 0
- 34 67 1 0
- 35 68 1 0
- 37 69 1 0
- 38 70 1 0
- 39 71 1 0
- 39 72 1 0
- 40 73 1 0
- 41 74 1 0
- 41 75 1 0
- 41 76 1 0
- 42 77 1 0
- 42 78 1 0
- 44 79 1 0
- 44 80 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-79-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.3538 -0.4757 0.0000 O 0 0 0
- -0.9179 -0.0336 0.0000 C 0 0 0
- 1.4525 0.4736 0.0000 C 0 0 0
- -1.9377 -0.9147 0.0000 N 0 0 0
- -1.1462 1.1599 0.0000 O 0 0 0
- 2.7815 -0.2845 0.0000 C 0 0 0
- 2.0494 1.2893 0.0000 H 0 0 0
- 0.7094 1.1588 0.0000 H 0 0 0
- -2.8924 -0.5827 0.0000 H 0 0 0
- -1.7478 -1.9075 0.0000 H 0 0 0
- 2.2807 -1.1625 0.0000 H 0 0 0
- 3.6595 -0.7853 0.0000 H 0 0 0
- 3.2823 0.5935 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-473-90-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0000 -0.5480 -0.0013 C 0 0 0
- -1.2917 0.1977 -0.0004 C 0 0 0
- 1.2917 0.1977 -0.0005 C 0 0 0
- 0.0000 -1.7561 0.0024 O 0 0 0
- -2.4571 -0.4752 -0.0012 O 0 0 0
- -1.2917 1.4105 0.0009 O 0 0 0
- 2.4571 -0.4752 -0.0013 O 0 0 0
- 1.2917 1.4105 0.0009 O 0 0 0
- -3.3311 -0.9799 0.0000 H 0 0 0
- 3.3311 -0.9799 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 5 9 1 0
- 7 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-478-45-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.6322 0.8075 -0.0020 C 0 0 0
- -0.8151 -0.5884 -0.0012 C 0 0 0
- 0.7315 1.3746 -0.0017 C 0 0 0
- -1.7440 1.6544 0.0028 C 0 0 0
- 0.3581 -1.4869 0.0000 C 0 0 0
- -2.0998 -1.1181 -0.0010 C 0 0 0
- 1.9003 0.4810 -0.0010 C 0 0 0
- 0.8884 2.5806 -0.0024 O 0 0 0
- -3.0259 1.1164 0.0082 C 0 0 0
- -1.5724 2.9997 0.0025 O 0 0 0
- 1.7214 -0.9164 0.0003 C 0 0 0
- 0.2022 -2.6921 0.0010 O 0 0 0
- -3.2062 -0.2650 -0.0016 C 0 0 0
- 3.1954 1.0143 -0.0006 C 0 0 0
- 2.8296 -1.7535 0.0009 C 0 0 0
- -4.5732 -0.8303 -0.0015 C 0 0 0
- 4.2928 0.1631 0.0005 C 0 0 0
- 3.3772 2.3579 -0.0018 O 0 0 0
- 4.1125 -1.2108 0.0008 C 0 0 0
- -5.6412 -0.0097 -0.0021 O 0 0 0
- -4.7324 -2.0342 -0.0008 O 0 0 0
- 5.1924 -2.0327 0.0014 O 0 0 0
- -2.2381 -2.1526 0.0000 H 0 0 0
- -3.8558 1.7494 0.0000 H 0 0 0
- -1.4403 4.0350 0.0000 H 0 0 0
- 2.7012 -2.7893 0.0000 H 0 0 0
- 5.2580 0.5602 0.0000 H 0 0 0
- 3.5171 3.3922 0.0000 H 0 0 0
- -6.4688 0.6262 0.0000 H 0 0 0
- 6.0229 -2.6648 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 16 20 1 0
- 16 21 2 0
- 19 22 1 0
- 7 11 2 0
- 9 13 1 0
- 17 19 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 20 29 1 0
- 22 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17987-99-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.8632 0.7501 0.0052 C 0 0 0
- -1.4056 -0.5540 -0.0060 C 0 0 0
- 0.4688 0.9170 0.0059 N 0 3 0
- -1.7291 1.8561 0.0213 C 0 0 0
- -0.5634 -1.6347 -0.0165 N 0 3 0
- -2.7892 -0.7227 -0.0058 C 0 0 0
- 1.2761 -0.1441 -0.0039 C 0 0 0
- 0.9408 2.0398 0.0151 O 0 5 0
- -3.0776 1.6572 0.0259 C 0 0 0
- 0.7565 -1.4365 -0.0159 C 0 0 0
- -1.0885 -2.9497 -0.0273 O 0 5 0
- -3.6073 0.3710 0.0053 C 0 0 0
- 2.7384 0.0532 -0.0034 C 0 0 0
- 3.5613 -1.0080 0.1069 O 0 0 0
- 3.2004 1.1725 -0.1026 O 0 0 0
- -1.3485 2.8089 0.0000 H 0 0 0
- -3.1922 -1.6662 0.0000 H 0 0 0
- -3.7093 2.4656 0.0000 H 0 0 0
- 1.3926 -2.2415 0.0000 H 0 0 0
- -4.6252 0.2423 0.0000 H 0 0 0
- 4.1900 -1.8188 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 10 1 0
- 9 12 1 0
- 4 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-371-40-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.5085 0.0001 0.0019 C 0 0 0
- -0.8130 -1.2022 0.0013 C 0 0 0
- -0.8132 1.2020 0.0014 C 0 0 0
- -2.9067 0.0001 -0.0028 N 0 0 0
- 0.5680 -1.1998 0.0002 C 0 0 0
- 0.5682 1.1996 0.0003 C 0 0 0
- 1.2594 0.0001 -0.0003 C 0 0 0
- 2.6104 0.0001 -0.0010 F 0 0 0
- -1.3311 -2.1022 0.0000 H 0 0 0
- -1.3313 2.1020 0.0000 H 0 0 0
- -3.4259 0.8994 0.0000 H 0 0 0
- -3.4259 -0.8992 0.0000 H 0 0 0
- 1.0884 -2.0985 0.0000 H 0 0 0
- 1.0886 2.0983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2319-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.1296 -0.2487 -0.0021 C 0 0 0
- -1.5326 -0.6872 -0.0017 C 0 0 0
- 0.1564 1.1870 -0.0002 C 0 0 0
- 0.9040 -1.1708 0.0015 C 0 0 0
- -2.5578 0.2819 0.0005 C 0 0 0
- -1.8605 -2.0440 -0.0030 C 0 0 0
- 1.4722 1.6368 -0.0010 C 0 0 0
- -0.9552 2.1362 0.0020 C 0 0 0
- 2.2287 -0.7244 0.0016 C 0 0 0
- -2.2306 1.7039 0.0019 C 0 0 0
- -3.8955 -0.1384 0.0009 C 0 0 0
- -3.1833 -2.4250 -0.0021 C 0 0 0
- 2.5185 0.7116 -0.0035 C 0 0 0
- 3.3051 -1.6339 0.0060 C 0 0 0
- -3.3484 2.7146 0.0032 C 0 0 0
- -4.1921 -1.4701 -0.0008 C 0 0 0
- 3.8645 1.1314 -0.0039 C 0 0 0
- 4.5800 -1.1636 0.0067 C 0 0 0
- 4.8561 0.2027 -0.0059 C 0 0 0
- 0.6940 -2.1975 0.0000 H 0 0 0
- -1.1036 -2.7688 0.0000 H 0 0 0
- 1.6777 2.6644 0.0000 H 0 0 0
- -0.7573 3.1653 0.0000 H 0 0 0
- -4.6674 0.5704 0.0000 H 0 0 0
- -3.4311 -3.4432 0.0000 H 0 0 0
- 3.1236 -2.6660 0.0000 H 0 0 0
- -2.6456 3.4919 0.0000 H 0 0 0
- -4.1257 3.4174 0.0000 H 0 0 0
- -4.0512 1.9373 0.0000 H 0 0 0
- -5.1942 -1.7766 0.0000 H 0 0 0
- 4.0985 2.1529 0.0000 H 0 0 0
- 5.3758 -1.8454 0.0000 H 0 0 0
- 5.8543 0.5218 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 14 18 2 0
- 17 19 2 0
- 8 10 1 0
- 9 13 1 0
- 12 16 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1822-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.3564 0.0039 -1.0016 C 0 0 0
- -2.4874 -0.0011 0.4025 Cl 0 0 0
- 0.0652 0.0018 -0.5016 C 0 0 0
- 0.7344 -1.1901 -0.2705 C 0 0 0
- 0.7370 1.1920 -0.2670 C 0 0 0
- 2.0378 -1.1528 0.1881 C 0 0 0
- 2.0399 1.1509 0.1914 C 0 0 0
- 2.6436 -0.0020 0.4055 N 0 0 0
- -0.8679 0.8509 0.0000 H 0 0 0
- -1.8474 0.8495 0.0000 H 0 0 0
- 0.2525 -2.0409 0.0000 H 0 0 0
- 0.2574 2.0441 0.0000 H 0 0 0
- 2.5551 -1.9826 0.0000 H 0 0 0
- 2.5593 1.9794 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 7 8 1 0
- 1 9 1 0
- 1 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2449-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 0.3365 -0.2296 0.2839 C 0 0 0
- -1.1184 -0.5436 0.5197 C 0 0 0
- 0.7738 1.0813 0.3107 C 0 0 0
- 1.2350 -1.2533 0.0463 C 0 0 0
- -1.9311 0.6406 0.2110 N 0 0 0
- -1.5428 -1.7030 -0.3839 C 0 0 0
- 2.1086 1.3693 0.0943 C 0 0 0
- 2.5693 -0.9653 -0.1699 C 0 0 0
- -1.7823 0.8911 -1.2288 C 0 0 0
- -3.3327 0.2595 0.4305 C 0 0 0
- 3.0057 0.3464 -0.1489 C 0 0 0
- -2.1345 -0.6716 0.0000 H 0 0 0
- 0.0903 1.8440 0.0000 H 0 0 0
- 0.9139 -2.2258 0.0000 H 0 0 0
- -2.5045 -1.3510 0.0000 H 0 0 0
- -1.8948 -2.6647 0.0000 H 0 0 0
- -0.5811 -2.0550 0.0000 H 0 0 0
- 2.4299 2.3417 0.0000 H 0 0 0
- 3.2531 -1.7277 0.0000 H 0 0 0
- -0.9018 0.3681 0.0000 H 0 0 0
- -1.2593 1.7716 0.0000 H 0 0 0
- -2.6628 1.4141 0.0000 H 0 0 0
- -3.6014 1.2478 0.0000 H 0 0 0
- -4.3210 -0.0092 0.0000 H 0 0 0
- -3.0640 -0.7288 0.0000 H 0 0 0
- 4.0095 0.5493 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 2 0
- 8 11 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127045-41-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.0779 -0.3684 -0.0683 C 0 0 0
- -1.2938 -0.6316 -0.0774 C 0 0 0
- 0.5241 0.9609 -0.0163 C 0 0 0
- 0.9911 -1.4068 -0.1224 N 0 0 0
- -2.1912 0.4227 -0.0521 C 0 0 0
- -1.7713 -1.9010 -0.0962 O 0 0 0
- 1.9754 1.2238 0.0069 C 0 0 0
- -0.3942 2.0122 0.0113 C 0 0 0
- 2.3143 -1.2059 -0.0821 C 0 0 0
- 0.4719 -2.7798 -0.2408 C 0 0 2
- -3.6714 0.1402 -0.0718 C 0 0 0
- -1.7450 1.7363 -0.0095 C 0 0 0
- -0.9098 -2.7022 -0.8998 C 0 0 0
- 2.8698 0.0559 -0.0200 C 0 0 0
- 2.4147 2.3597 0.0464 O 0 0 0
- 0.3382 -3.3964 1.1531 C 0 0 0
- -4.2292 -0.7810 1.0150 C 0 0 0
- -4.5166 0.7209 1.0637 C 0 0 0
- -4.2845 0.0656 -1.4046 N 0 0 0
- -2.6385 2.7494 0.0122 F 0 0 0
- 4.3286 0.2299 0.0182 C 0 0 0
- 4.8583 1.4680 0.0784 O 0 0 0
- 5.0575 -0.7427 -0.0046 O 0 0 0
- -0.0629 2.9933 0.0000 H 0 0 0
- 2.9438 -2.0282 0.0000 H 0 0 0
- 1.4650 -3.0735 0.0000 H 0 0 0
- -1.8038 -3.2249 0.0000 H 0 0 0
- -0.6672 -3.7089 0.0000 H 0 0 0
- -0.6738 -3.1770 0.0000 H 0 0 0
- 0.1188 -4.4084 0.0000 H 0 0 0
- 1.3502 -3.6158 0.0000 H 0 0 0
- -5.1533 -1.2483 0.0000 H 0 0 0
- -3.5254 -1.5407 0.0000 H 0 0 0
- -4.1729 1.6978 0.0000 H 0 0 0
- -5.5493 0.7981 0.0000 H 0 0 0
- -4.9068 0.8933 0.0000 H 0 0 0
- -4.6902 -0.8872 0.0000 H 0 0 0
- 5.2656 2.4201 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 21 22 1 0
- 21 23 2 0
- 8 12 2 0
- 9 14 2 0
- 10 13 1 0
- 17 18 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 13 27 1 0
- 13 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-836-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.1663 -0.9517 -0.0531 C 0 0 0
- -1.4904 -1.3966 -0.0827 N 0 0 0
- 0.4727 -0.7477 1.1637 C 0 0 0
- 0.5162 -0.7178 -1.2402 C 0 0 0
- -2.5385 -0.4740 -0.0371 C 0 0 0
- 1.7813 -0.3080 1.1893 C 0 0 0
- 1.8250 -0.2779 -1.2072 C 0 0 0
- -3.8490 -0.9152 0.0948 C 0 0 0
- -2.2719 0.8873 -0.1176 C 0 0 0
- 2.4560 -0.0705 0.0055 C 0 0 0
- -4.8828 -0.0003 0.1401 C 0 0 0
- -3.3101 1.7964 -0.0717 C 0 0 0
- 3.8587 0.4014 0.0369 N 0 3 0
- -4.6143 1.3534 0.0544 C 0 0 0
- 4.4542 0.6110 -1.0048 O 0 0 0
- 4.4174 0.5801 1.1043 O 0 5 0
- -1.6948 -2.4113 0.0000 H 0 0 0
- 0.7949 -1.7313 0.0000 H 0 0 0
- 0.1835 0.2623 0.0000 H 0 0 0
- 2.1180 -1.2868 0.0000 H 0 0 0
- 1.4985 0.7043 0.0000 H 0 0 0
- -4.0545 -1.9297 0.0000 H 0 0 0
- -1.2924 1.2218 0.0000 H 0 0 0
- -5.8636 -0.3311 0.0000 H 0 0 0
- -3.1087 2.8117 0.0000 H 0 0 0
- -5.3927 2.0356 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 7 10 2 0
- 12 14 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94-36-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.8907 0.2164 -0.0121 C 0 0 0
- 1.4464 0.5289 -0.0125 C 0 0 0
- 3.7564 0.9014 -0.8665 C 0 0 0
- 3.3964 -0.7612 0.8469 C 0 0 0
- 0.6158 -0.1322 0.8111 O 0 0 0
- 1.0099 1.3839 -0.7577 O 0 0 0
- 5.1039 0.6050 -0.8607 C 0 0 0
- 4.7456 -1.0476 0.8425 C 0 0 0
- -0.6158 0.1342 0.8108 O 0 0 0
- 5.5975 -0.3685 -0.0108 C 0 0 0
- -1.4464 -0.5290 -0.0112 C 0 0 0
- -2.8907 -0.2165 -0.0116 C 0 0 0
- -1.0099 -1.3857 -0.7544 O 0 0 0
- -3.7564 -0.9035 -0.8643 C 0 0 0
- -3.3964 0.7632 0.8451 C 0 0 0
- -5.1039 -0.6071 -0.8593 C 0 0 0
- -4.7456 1.0496 0.8400 C 0 0 0
- -5.5975 0.3684 -0.0117 C 0 0 0
- 3.5708 1.7072 0.0000 H 0 0 0
- 2.8951 -1.4188 0.0000 H 0 0 0
- 5.6102 1.2587 0.0000 H 0 0 0
- 4.9357 -1.8523 0.0000 H 0 0 0
- 6.4055 -0.5443 0.0000 H 0 0 0
- -3.5702 -1.7091 0.0000 H 0 0 0
- -2.8948 1.4206 0.0000 H 0 0 0
- -5.6105 -1.2606 0.0000 H 0 0 0
- -4.9363 1.8542 0.0000 H 0 0 0
- -6.4055 0.5439 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 12 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 10 1 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115066-03-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -0.8283 0.1088 -0.0174 C 0 0 0
- -0.3971 -1.1761 -0.0314 C 0 0 0
- 0.2421 0.9511 0.0858 N 0 0 0
- -2.2925 0.4657 -0.1008 C 0 0 0
- 1.0407 -1.1489 0.0745 C 0 0 0
- -1.3515 -2.3386 -0.1491 C 0 0 0
- 1.3980 0.2241 0.1449 C 0 0 0
- -3.0677 -0.6778 0.2675 O 0 0 0
- -2.5943 1.6199 0.8572 C 0 0 0
- -2.6384 0.8803 -1.5324 C 0 0 0
- 2.0144 -2.1524 0.1127 C 0 0 0
- -2.7083 -1.7632 -0.5865 C 0 0 0
- 2.7337 0.6046 0.2524 C 0 0 0
- -4.0789 1.9796 0.7706 C 0 0 0
- 3.3216 -1.7474 0.2200 C 0 0 0
- 3.6748 -0.4096 0.2869 C 0 0 0
- 3.1358 2.0551 0.3272 C 0 0 0
- 3.3746 2.5916 -1.0856 C 0 0 0
- 0.1875 1.9874 0.0000 H 0 0 0
- -1.8458 -3.2510 0.0000 H 0 0 0
- -0.4904 -2.9176 0.0000 H 0 0 0
- -1.5609 1.7145 0.0000 H 0 0 0
- -2.5184 2.6548 0.0000 H 0 0 0
- -1.8416 1.5451 0.0000 H 0 0 0
- -3.3032 1.6771 0.0000 H 0 0 0
- -3.4352 0.2155 0.0000 H 0 0 0
- 1.7577 -3.1578 0.0000 H 0 0 0
- -3.7427 -1.8456 0.0000 H 0 0 0
- -2.8745 -2.7875 0.0000 H 0 0 0
- -3.8345 2.9881 0.0000 H 0 0 0
- -5.0874 2.2240 0.0000 H 0 0 0
- -4.3233 0.9711 0.0000 H 0 0 0
- 4.0707 -2.4655 0.0000 H 0 0 0
- 4.6815 -0.1579 0.0000 H 0 0 0
- 2.4850 2.8634 0.0000 H 0 0 0
- 2.1196 1.8452 0.0000 H 0 0 0
- 4.3226 2.1696 0.0000 H 0 0 0
- 3.7966 3.5396 0.0000 H 0 0 0
- 2.4266 3.0136 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 2 0
- 13 17 1 0
- 17 18 1 0
- 5 7 2 0
- 8 12 1 0
- 15 16 1 0
- 3 19 1 0
- 6 20 1 0
- 6 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22204-53-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.8065 0.6863 -0.0614 C 0 0 0
- -1.0966 -0.6879 -0.2550 C 0 0 0
- 0.5262 1.1250 -0.1313 C 0 0 0
- -1.8575 1.5855 0.1910 C 0 0 0
- -2.4288 -1.1278 -0.1859 C 0 0 0
- -0.0454 -1.5842 -0.5129 C 0 0 0
- 1.5187 0.2279 -0.3831 C 0 0 0
- -3.1371 1.1288 0.2466 C 0 0 0
- -3.4246 -0.2280 0.0663 C 0 0 0
- 1.2338 -1.1227 -0.5734 C 0 0 0
- 2.9470 0.7027 -0.4578 C 0 0 1
- -4.7130 -0.6549 0.1329 O 0 0 0
- 3.7657 -0.0005 0.5941 C 0 0 0
- 3.5172 0.3884 -1.8423 C 0 0 0
- -5.5157 0.4955 0.4056 C 0 0 0
- 5.0756 0.2666 0.7146 O 0 0 0
- 3.2430 -0.8046 1.3289 O 0 0 0
- 0.7389 2.1303 0.0000 H 0 0 0
- -1.6711 2.5960 0.0000 H 0 0 0
- -2.6409 -2.1332 0.0000 H 0 0 0
- -0.2293 -2.5952 0.0000 H 0 0 0
- -3.9107 1.8051 0.0000 H 0 0 0
- 2.0089 -1.7974 0.0000 H 0 0 0
- 3.0408 1.7260 0.0000 H 0 0 0
- 3.0212 -0.5115 0.0000 H 0 0 0
- 4.4171 -0.1076 0.0000 H 0 0 0
- 4.0132 1.2883 0.0000 H 0 0 0
- -4.6730 1.0835 0.0000 H 0 0 0
- -6.1037 1.3382 0.0000 H 0 0 0
- -6.3584 -0.0925 0.0000 H 0 0 0
- 6.0825 0.4719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 13 17 2 0
- 7 10 2 0
- 8 9 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91540-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.3578 1.3735 0.9342 C 0 0 0
- -1.2134 0.0986 0.9820 C 0 0 0
- -1.3103 1.0473 -0.1354 N 0 0 0
- 1.0504 1.2612 0.4003 C 0 0 0
- -0.5938 -1.1883 0.4912 C 0 0 0
- -2.5095 1.8611 0.1045 C 0 0 0
- 1.5388 0.0328 -0.0300 C 0 0 0
- 1.8486 2.3862 0.3431 C 0 0 0
- 0.7122 -1.1980 0.0146 C 0 0 0
- -1.3332 -2.3538 0.5189 C 0 0 0
- -3.5334 1.5738 -0.9632 C 0 0 0
- 2.8450 -0.0492 -0.5205 C 0 0 0
- 3.1400 2.2970 -0.1434 C 0 0 0
- 1.2663 -2.3997 -0.4351 C 0 0 0
- -0.7779 -3.5390 0.0722 C 0 0 0
- -4.7099 1.1020 -0.6326 C 0 0 0
- 3.6352 1.0791 -0.5740 C 0 0 0
- 0.5208 -3.5589 -0.4041 C 0 0 0
- -0.4816 2.3572 0.0000 H 0 0 0
- -2.1675 -0.1709 0.0000 H 0 0 0
- -1.7779 2.5303 0.0000 H 0 0 0
- -2.9911 2.7277 0.0000 H 0 0 0
- 1.4242 3.2822 0.0000 H 0 0 0
- -2.3226 -2.2908 0.0000 H 0 0 0
- -3.8523 2.5126 0.0000 H 0 0 0
- 3.2750 -0.9426 0.0000 H 0 0 0
- 3.7215 3.1000 0.0000 H 0 0 0
- 2.2553 -2.4688 0.0000 H 0 0 0
- -1.3162 -4.3716 0.0000 H 0 0 0
- -5.4896 1.7144 0.0000 H 0 0 0
- -4.8504 0.1206 0.0000 H 0 0 0
- 4.6204 0.9679 0.0000 H 0 0 0
- 0.9891 -4.4328 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 12 17 2 0
- 14 18 2 0
- 2 3 1 0
- 7 9 1 0
- 13 17 1 0
- 15 18 1 0
- 1 19 1 0
- 2 20 1 0
- 6 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.0902 -0.3077 0.0949 N 0 0 0
- -1.3137 0.3232 0.5963 C 0 0 0
- 0.9408 0.5063 -0.5536 C 0 0 0
- 0.0816 -1.5791 0.2293 N 0 0 0
- -2.3739 0.3281 -0.5069 C 0 0 0
- 1.9339 1.0044 0.4983 C 0 0 0
- 1.0988 -2.1035 -0.1875 O 0 0 0
- -3.6516 0.9869 0.0167 C 0 0 0
- 3.0107 1.8545 -0.1791 C 0 0 0
- -0.5870 0.9713 0.0000 H 0 0 0
- -1.6584 1.2339 0.0000 H 0 0 0
- 0.9319 1.4800 0.0000 H 0 0 0
- 0.0626 0.9269 0.0000 H 0 0 0
- -3.1006 -0.3200 0.0000 H 0 0 0
- -2.0292 -0.5826 0.0000 H 0 0 0
- 1.9428 0.0307 0.0000 H 0 0 0
- 2.8121 0.5838 0.0000 H 0 0 0
- -3.2054 1.8523 0.0000 H 0 0 0
- -4.5170 1.4331 0.0000 H 0 0 0
- -4.0978 0.1215 0.0000 H 0 0 0
- 3.6141 1.0903 0.0000 H 0 0 0
- 3.7749 2.4579 0.0000 H 0 0 0
- 2.4073 2.6187 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-486-56-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.4739 -0.7080 -0.6629 C 0 0 1
- -0.9323 -0.3263 -0.2782 C 0 0 0
- 1.3590 0.4504 -0.4934 N 0 0 0
- 1.0033 -1.7782 0.3173 C 0 0 0
- -1.9871 -0.5648 -1.1463 C 0 0 0
- -1.1877 0.2608 0.9464 C 0 0 0
- 2.5001 0.1061 0.1279 C 0 0 0
- 1.0396 1.8075 -0.9432 C 0 0 0
- 2.4883 -1.3704 0.4573 C 0 0 0
- -3.2636 -0.1970 -0.7503 C 0 0 0
- -2.4156 0.5976 1.2901 N 0 0 0
- 3.4076 0.8682 0.3863 O 0 0 0
- -3.4415 0.3911 0.4879 C 0 0 0
- -0.1138 -1.4226 0.0000 H 0 0 0
- 0.1495 -2.1347 0.0000 H 0 0 0
- 1.3047 -2.6530 0.0000 H 0 0 0
- -2.0140 -1.4896 0.0000 H 0 0 0
- -0.5818 0.9600 0.0000 H 0 0 0
- 1.9402 2.0195 0.0000 H 0 0 0
- 0.8276 2.7081 0.0000 H 0 0 0
- 0.1390 1.5955 0.0000 H 0 0 0
- 2.6503 -2.2813 0.0000 H 0 0 0
- 3.4103 -1.2928 0.0000 H 0 0 0
- -3.9135 -0.8555 0.0000 H 0 0 0
- -4.2354 0.8662 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 10 13 1 0
- 7 9 1 0
- 11 13 2 0
- 1 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25152-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -0.0833 -0.8405 -0.3536 C 0 0 0
- -1.4158 -0.9281 0.3449 C 0 0 0
- 0.9871 -0.3866 0.3041 C 0 0 0
- -2.4343 -0.0527 -0.3879 C 0 0 0
- 2.2790 -0.3016 -0.3732 C 0 0 0
- -3.7871 -0.1416 0.3213 C 0 0 0
- 3.3667 0.1596 0.2952 C 0 0 0
- -4.8057 0.7338 -0.4116 C 0 0 0
- 4.6115 0.2414 -0.3574 C 0 0 0
- -6.1584 0.6448 0.2976 C 0 0 0
- 5.5848 0.6542 0.2407 O 0 0 0
- 0.1448 -1.8000 0.0000 H 0 0 0
- -2.2322 -1.4815 0.0000 H 0 0 0
- -1.0955 -1.8609 0.0000 H 0 0 0
- 0.7590 0.5729 0.0000 H 0 0 0
- -1.6179 0.5007 0.0000 H 0 0 0
- -2.7545 0.8801 0.0000 H 0 0 0
- 2.5071 -1.2611 0.0000 H 0 0 0
- -4.6035 -0.6951 0.0000 H 0 0 0
- -3.4668 -1.0744 0.0000 H 0 0 0
- 3.1387 1.1192 0.0000 H 0 0 0
- -3.9894 1.2873 0.0000 H 0 0 0
- -5.1260 1.6666 0.0000 H 0 0 0
- 4.8396 -0.7181 0.0000 H 0 0 0
- -6.2232 1.6289 0.0000 H 0 0 0
- -7.1425 0.5800 0.0000 H 0 0 0
- -6.0936 -0.3393 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16596-38-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 1.0918 -0.2630 -0.6820 C 0 0 0
- 0.0099 -0.7322 0.1939 N 0 0 0
- 2.2600 0.2340 0.1719 C 0 0 0
- -1.2366 -0.6140 -0.5744 C 0 0 0
- 0.2341 -2.1524 0.4106 N 0 0 0
- 3.4404 0.5878 -0.7350 C 0 0 0
- 1.8278 1.4759 0.9541 C 0 0 0
- -1.9953 0.6367 -0.1262 C 0 0 0
- -3.2091 0.8493 -1.0330 C 0 0 0
- -2.4637 0.4583 1.3194 C 0 0 0
- 1.2033 0.6694 0.0000 H 0 0 0
- 0.3388 0.2980 0.0000 H 0 0 0
- 2.5791 -0.6492 0.0000 H 0 0 0
- -2.1244 -0.9201 0.0000 H 0 0 0
- -1.1254 -1.5465 0.0000 H 0 0 0
- -0.4960 -2.7430 0.0000 H 0 0 0
- 1.1106 -2.4894 0.0000 H 0 0 0
- 3.7100 -0.3117 0.0000 H 0 0 0
- 4.3399 0.8574 0.0000 H 0 0 0
- 3.1708 1.4873 0.0000 H 0 0 0
- 2.7147 1.7846 0.0000 H 0 0 0
- 1.5191 2.3628 0.0000 H 0 0 0
- 0.9409 1.1672 0.0000 H 0 0 0
- -1.4655 1.4120 0.0000 H 0 0 0
- -3.0471 1.7743 0.0000 H 0 0 0
- -4.1341 1.0113 0.0000 H 0 0 0
- -3.3711 -0.0757 0.0000 H 0 0 0
- -2.7979 1.3359 0.0000 H 0 0 0
- -3.3413 0.1241 0.0000 H 0 0 0
- -2.1295 -0.4193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 8 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-480-19-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -2.4858 0.4340 0.0678 C 0 0 0
- -1.8509 -0.7812 -0.2426 C 0 0 0
- -1.6565 1.6381 0.2351 C 0 0 0
- -3.8781 0.4840 0.2180 C 0 0 0
- -0.5090 -0.8218 -0.3797 O 0 0 0
- -2.6150 -1.9271 -0.4041 C 0 0 0
- -0.2545 1.4934 0.0705 C 0 0 0
- -2.1551 2.7191 0.5052 O 0 0 0
- -4.6218 -0.6701 0.0586 C 0 0 0
- -4.4917 1.6568 0.5180 O 0 0 0
- 0.2621 0.2688 -0.2296 C 0 0 0
- -3.9921 -1.8689 -0.2596 C 0 0 0
- 0.5674 2.5688 0.2117 O 0 0 0
- 1.7210 0.1352 -0.3968 C 0 0 0
- -4.7328 -2.9953 -0.4198 O 0 0 0
- 2.4925 -0.4411 0.6163 C 0 0 0
- 2.3351 0.5795 -1.5711 C 0 0 0
- 3.8593 -0.5637 0.4544 C 0 0 0
- 3.6990 0.4538 -1.7254 C 0 0 0
- 4.4656 -0.1133 -0.7169 C 0 0 0
- 4.6130 -1.1236 1.4382 O 0 0 0
- 5.8098 -0.2344 -0.8740 O 0 0 0
- 3.7171 -1.4786 2.4934 C 0 0 0
- -2.1564 -2.8295 0.0000 H 0 0 0
- -5.6330 -0.6252 0.0000 H 0 0 0
- -4.9609 2.5537 0.0000 H 0 0 0
- 1.1821 3.3730 0.0000 H 0 0 0
- -5.2890 -3.8411 0.0000 H 0 0 0
- 2.1307 -1.3865 0.0000 H 0 0 0
- 2.0678 1.5558 0.0000 H 0 0 0
- 4.0598 1.3996 0.0000 H 0 0 0
- 6.8180 -0.3252 0.0000 H 0 0 0
- 3.3442 -0.5376 0.0000 H 0 0 0
- 2.7761 -1.8515 0.0000 H 0 0 0
- 4.0900 -2.4196 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 20 22 1 0
- 21 23 1 0
- 7 11 2 0
- 9 12 1 0
- 19 20 1 0
- 6 24 1 0
- 9 25 1 0
- 10 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 22 32 1 0
- 23 33 1 0
- 23 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.3521 0.1937 0.0034 C 0 0 0
- 1.1400 -0.9500 0.0006 C 0 0 0
- 0.9470 1.4403 0.0038 C 0 0 0
- -1.4044 0.0547 -0.0010 S 0 0 0
- 2.5247 -0.8359 -0.0018 C 0 0 0
- 0.5418 -2.2121 0.0006 N 0 0 0
- 2.3252 1.5503 0.0015 C 0 0 0
- -1.9726 1.4666 0.0078 O 0 0 0
- -1.7454 -0.4908 -1.2680 O 0 0 0
- -1.7502 -0.5084 1.2570 O 0 0 0
- 3.1129 0.4134 -0.0013 C 0 0 0
- 0.3591 2.2949 0.0000 H 0 0 0
- 3.1160 -1.6882 0.0000 H 0 0 0
- -0.4921 -2.2960 0.0000 H 0 0 0
- 1.1314 -3.0656 0.0000 H 0 0 0
- 2.7695 2.4877 0.0000 H 0 0 0
- -2.3599 2.4289 0.0000 H 0 0 0
- 4.1467 0.4993 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 4 10 2 0
- 5 11 2 0
- 7 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36519-91-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.7159 -0.2622 0.4914 C 0 0 0
- -2.1922 -0.4087 0.7562 C 0 0 0
- -0.1149 0.9780 0.5966 C 0 0 0
- 0.0379 -1.3696 0.1490 C 0 0 0
- -2.9667 -0.2069 -0.5478 C 0 0 0
- 1.2393 1.1129 0.3543 C 0 0 0
- 1.3918 -1.2360 -0.0934 C 0 0 0
- -4.4655 -0.3556 -0.2790 C 0 0 0
- -3.8357 0.9198 -0.4162 O 0 0 0
- 1.9931 0.0063 0.0066 C 0 0 0
- 3.6938 0.1749 -0.2979 Cl 0 0 0
- -2.8268 -1.2255 0.0000 H 0 0 0
- -1.6921 -1.3142 0.0000 H 0 0 0
- -0.7070 1.8262 0.0000 H 0 0 0
- -0.4002 -2.3066 0.0000 H 0 0 0
- -3.0473 -1.2381 0.0000 H 0 0 0
- 1.6768 2.0502 0.0000 H 0 0 0
- 1.9837 -2.0843 0.0000 H 0 0 0
- -5.4616 -0.0769 0.0000 H 0 0 0
- -4.5553 -1.3861 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 10 11 1 0
- 7 10 1 0
- 8 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1634-04-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.4104 0.0266 0.0000 C 0 0 0
- -0.7544 -0.8012 0.0004 O 0 0 0
- 0.4083 0.9106 1.2487 C 0 0 0
- 1.6617 -0.8537 0.0005 C 0 0 0
- 0.4083 0.9093 -1.2497 C 0 0 0
- -1.8836 0.0746 0.0000 C 0 0 0
- 1.4800 0.9131 0.0000 H 0 0 0
- 0.4058 1.9823 0.0000 H 0 0 0
- -0.6634 0.9081 0.0000 H 0 0 0
- 1.0450 -1.7303 0.0000 H 0 0 0
- 2.5383 -1.4704 0.0000 H 0 0 0
- 2.2784 0.0229 0.0000 H 0 0 0
- 1.4800 0.9118 0.0000 H 0 0 0
- 0.4058 1.9810 0.0000 H 0 0 0
- -0.6634 0.9068 0.0000 H 0 0 0
- -1.2268 0.9215 0.0000 H 0 0 0
- -2.7305 0.7314 0.0000 H 0 0 0
- -2.5404 -0.7723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-65-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.2794 0.7031 -0.0023 C 0 0 0
- -1.2794 -0.7031 -0.0018 C 0 0 0
- 0.0000 1.4432 -0.0017 C 0 0 0
- -2.4887 1.3923 0.0023 C 0 0 0
- 0.0000 -1.4432 -0.0005 C 0 0 0
- -2.4887 -1.3923 -0.0019 C 0 0 0
- 1.2793 0.7032 -0.0005 C 0 0 0
- 0.0000 2.6582 -0.0027 O 0 0 0
- -3.6821 0.6914 0.0075 C 0 0 0
- 1.2794 -0.7031 0.0001 C 0 0 0
- 0.0000 -2.6582 0.0004 O 0 0 0
- -3.6821 -0.6914 -0.0025 C 0 0 0
- 2.4887 1.3923 0.0006 C 0 0 0
- 2.4887 -1.3923 0.0008 C 0 0 0
- 3.6821 0.6914 0.0022 C 0 0 0
- 3.6821 -0.6914 0.0009 C 0 0 0
- -2.4955 2.4362 0.0000 H 0 0 0
- -2.4955 -2.4362 0.0000 H 0 0 0
- -4.5881 1.2100 0.0000 H 0 0 0
- -4.5881 -1.2100 0.0000 H 0 0 0
- 2.4956 2.4362 0.0000 H 0 0 0
- 2.4955 -2.4362 0.0000 H 0 0 0
- 4.5881 1.2100 0.0000 H 0 0 0
- 4.5881 -1.2100 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 2 0
- 9 12 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 9 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-84-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.3162 0.5611 -0.1044 C 0 0 0
- -0.5424 -0.7951 0.0509 C 0 0 0
- 0.9441 1.0584 -0.2467 O 0 0 0
- -1.3880 1.4461 -0.1233 C 0 0 0
- 0.5894 -1.7899 0.0875 C 0 0 0
- -1.8409 -1.2619 0.1810 C 0 0 0
- 1.9914 0.2290 -0.0483 C 0 0 0
- -2.6785 0.9744 0.0074 C 0 0 0
- 1.8382 -1.1885 -0.5636 C 0 0 0
- -2.9041 -0.3812 0.1618 C 0 0 0
- 2.9976 0.5975 0.5102 O 0 0 0
- -1.2133 2.4643 0.0000 H 0 0 0
- -0.1899 -2.4680 0.0000 H 0 0 0
- 1.1576 -2.6526 0.0000 H 0 0 0
- -2.0191 -2.2795 0.0000 H 0 0 0
- -3.4735 1.6341 0.0000 H 0 0 0
- 2.1071 -2.1859 0.0000 H 0 0 0
- 2.8681 -1.1082 0.0000 H 0 0 0
- -3.8720 -0.7423 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 9 1 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67809-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.0115 -0.0146 -0.0009 N 0 0 0
- -1.1813 0.6547 0.0011 C 0 0 0
- 1.1032 0.6347 0.0009 N 0 0 0
- -0.0058 -1.4796 0.0009 C 0 0 0
- -2.2253 0.0465 -0.0006 O 0 0 0
- 2.1604 0.0298 -0.0009 O 0 0 0
- -1.1851 1.6222 0.0000 H 0 0 0
- -0.9733 -1.4834 0.0000 H 0 0 0
- -0.0020 -2.4471 0.0000 H 0 0 0
- 0.9617 -1.4758 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 2 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24634-61-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 15 1 V2000
- -2.7036 -0.6469 -0.4890 C 0 0 0
- -3.6417 0.0792 0.1839 C 0 0 0
- -1.4723 -0.9233 0.1101 C 0 0 0
- -4.8892 0.3592 -0.4231 C 0 0 0
- -0.5484 -1.6384 -0.5525 O 0 0 0
- -1.2122 -0.4739 1.3490 O 0 0 0
- -5.8096 1.0717 0.2371 C 0 0 0
- -7.1379 1.3698 -0.4093 C 0 0 0
- 8.6005 0.4621 -0.0831 K 0 3 0
- -3.0824 -1.4520 0.0000 H 0 0 0
- -3.2629 0.8843 0.0000 H 0 0 0
- -5.2680 -0.4458 0.0000 H 0 0 0
- -5.4308 1.8768 0.0000 H 0 0 0
- -6.9431 2.2379 0.0000 H 0 0 0
- -8.0060 1.5646 0.0000 H 0 0 0
- -7.3327 0.5017 0.0000 H 0 0 0
- -0.7665 0.2961 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 3 6 1 0
- 4 7 2 0
- 7 8 1 0
- 1 10 1 0
- 2 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127-00-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 1.0665 0.0791 -0.3445 C 0 0 0
- -0.0852 0.8258 0.3314 C 0 0 0
- 2.3879 0.7793 -0.0207 C 0 0 0
- 1.1097 -1.2658 0.1365 O 0 0 0
- -1.6423 0.0007 -0.0502 Cl 0 0 0
- 0.1299 -0.4495 0.0000 H 0 0 0
- 0.6437 1.6167 0.0000 H 0 0 0
- -0.7418 1.6776 0.0000 H 0 0 0
- 2.8915 -0.1710 0.0000 H 0 0 0
- 3.3382 1.2829 0.0000 H 0 0 0
- 1.8843 1.7296 0.0000 H 0 0 0
- 1.1442 -2.3408 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-180913-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.1517 0.0340 0.1695 C 0 0 0
- -1.3751 0.8418 0.0260 C 0 0 0
- 1.0170 0.6262 0.2932 C 0 0 0
- -0.2372 -1.4364 0.1808 C 0 0 0
- -2.6833 0.1790 -0.1124 C 0 0 0
- -1.2994 2.1556 0.0219 C 0 0 0
- 2.2403 -0.1816 0.4369 C 0 0 0
- 1.1018 2.0967 0.2884 C 0 0 0
- -1.5460 -2.0991 0.0481 C 0 0 0
- 0.8558 -2.1581 0.3088 C 0 0 0
- -2.7680 -1.2915 -0.1080 C 0 0 0
- -3.7764 0.9007 -0.2396 C 0 0 0
- 0.0088 2.8184 0.1602 C 0 0 0
- -2.5228 2.9634 -0.1214 C 0 0 0
- 2.1646 -1.4954 0.4411 C 0 0 0
- 3.4437 0.4281 0.5642 N 0 0 0
- -1.6159 -3.3031 0.0567 O 0 0 0
- -3.8391 -1.8342 -0.2212 O 0 0 0
- -3.6916 2.3713 -0.2440 C 0 0 0
- 4.4451 0.1268 -0.2861 C 0 0 0
- 5.8194 0.7050 -0.0668 C 0 0 0
- 4.2402 -0.6096 -1.2277 O 0 0 0
- 2.0838 2.5891 0.0000 H 0 0 0
- 0.7927 -3.2549 0.0000 H 0 0 0
- -4.7584 0.4082 0.0000 H 0 0 0
- 0.0717 3.9152 0.0000 H 0 0 0
- -2.4598 4.0602 0.0000 H 0 0 0
- 3.0836 -2.0973 0.0000 H 0 0 0
- 3.3468 1.5224 0.0000 H 0 0 0
- -4.6107 2.9731 0.0000 H 0 0 0
- 6.2454 -0.3076 0.0000 H 0 0 0
- 6.8320 1.1310 0.0000 H 0 0 0
- 5.3934 1.7176 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 2 0
- 11 18 2 0
- 12 19 1 0
- 16 20 1 0
- 20 21 1 0
- 20 22 2 0
- 8 13 2 0
- 9 11 1 0
- 10 15 1 0
- 14 19 2 0
- 8 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-581-89-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.0067 0.5561 -0.0026 C 0 0 0
- -1.3988 -0.8061 -0.0012 C 0 0 0
- 0.3606 0.8794 -0.0020 C 0 0 0
- -1.9933 1.5571 0.0014 C 0 0 0
- -0.4125 -1.8066 0.0013 C 0 0 0
- -2.7666 -1.1292 -0.0018 C 0 0 0
- 1.2882 -0.1169 -0.0001 C 0 0 0
- -3.3082 1.2064 0.0064 C 0 0 0
- 0.9028 -1.4558 0.0022 C 0 0 0
- -3.6938 -0.1330 -0.0037 C 0 0 0
- 2.7278 0.2274 0.0000 N 0 3 0
- 3.5654 -0.6568 0.0016 O 0 0 0
- 3.0747 1.3949 -0.0016 O 0 5 0
- 0.6639 1.8796 0.0000 H 0 0 0
- -1.7186 2.5655 0.0000 H 0 0 0
- -0.6872 -2.8150 0.0000 H 0 0 0
- -3.0701 -2.1293 0.0000 H 0 0 0
- -4.0399 1.9527 0.0000 H 0 0 0
- 1.6345 -2.2021 0.0000 H 0 0 0
- -4.7103 -0.3760 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 7 9 2 0
- 8 10 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1709-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.0324 -0.3580 -0.7486 S 0 0 0
- -0.6747 -0.2353 -0.3298 C 0 0 0
- 1.8911 0.4010 0.4467 N 0 0 0
- 1.3580 -1.7370 -0.6417 O 0 0 0
- 1.2027 0.4396 -1.9123 O 0 0 0
- -1.4169 0.8460 -0.7690 C 0 0 0
- -1.2707 -1.2231 0.4323 C 0 0 0
- 2.3490 -0.3569 1.6139 C 0 0 0
- 2.1930 1.8304 0.3371 C 0 0 0
- -2.7549 0.9452 -0.4426 C 0 0 0
- -2.6087 -1.1301 0.7624 C 0 0 0
- 3.6237 -1.1237 1.2560 C 0 0 0
- 1.0353 2.6424 0.9214 C 0 0 0
- -3.3555 -0.0427 0.3278 C 0 0 0
- -4.7087 0.0548 0.6602 N 0 0 0
- -0.9157 1.7181 0.0000 H 0 0 0
- -0.8068 -2.1157 0.0000 H 0 0 0
- 1.3597 -0.5388 0.0000 H 0 0 0
- 2.1690 -1.3466 0.0000 H 0 0 0
- 3.1404 1.4924 0.0000 H 0 0 0
- 2.6550 2.7240 0.0000 H 0 0 0
- -3.2152 1.8396 0.0000 H 0 0 0
- -3.1078 -2.0035 0.0000 H 0 0 0
- 3.1052 -1.9857 0.0000 H 0 0 0
- 4.4857 -1.6422 0.0000 H 0 0 0
- 4.1422 -0.2617 0.0000 H 0 0 0
- 1.6129 3.4659 0.0000 H 0 0 0
- 0.2118 3.2200 0.0000 H 0 0 0
- 0.4577 1.8189 0.0000 H 0 0 0
- -5.1478 0.9598 0.0000 H 0 0 0
- -5.2730 -0.7780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 14 15 1 0
- 11 14 2 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17024-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.3793 -0.8447 -0.0310 C 0 0 0
- -0.6757 0.0952 -0.0032 C 0 0 0
- 1.7604 -0.3543 -0.0005 C 0 0 0
- 0.0902 -2.2093 -0.0808 C 0 0 0
- -1.9998 -0.3637 -0.0319 C 0 0 0
- -0.3851 1.4783 0.0535 C 0 0 0
- 1.9846 1.0397 0.0556 C 0 0 0
- 2.8471 -1.2304 -0.0251 C 0 0 0
- -1.2110 -2.6250 -0.1022 C 0 0 0
- -2.2512 -1.7037 -0.0862 C 0 0 0
- -3.1215 0.6018 -0.0031 N 0 3 0
- 0.8853 1.9292 0.0820 C 0 0 0
- 3.3019 1.5188 0.0852 C 0 0 0
- 4.1185 -0.7323 0.0053 C 0 0 0
- -4.0576 0.4253 0.7558 O 0 0 0
- -3.1082 1.5728 -0.7384 O 0 5 0
- 4.3434 0.6382 0.0596 C 0 0 0
- 0.8662 -2.9110 0.0000 H 0 0 0
- -1.1727 2.1669 0.0000 H 0 0 0
- 2.6881 -2.2644 0.0000 H 0 0 0
- -1.4268 -3.6487 0.0000 H 0 0 0
- -3.2408 -2.0429 0.0000 H 0 0 0
- 1.0619 2.9604 0.0000 H 0 0 0
- 3.4856 2.5487 0.0000 H 0 0 0
- 4.9320 -1.3901 0.0000 H 0 0 0
- 5.3250 1.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 11 16 1 0
- 13 17 2 0
- 7 12 1 0
- 9 10 2 0
- 14 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-47-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.0843 -0.0639 -0.2831 C 0 0 0
- 0.0350 -0.8849 -0.1549 O 0 0 0
- 0.6505 1.2169 -0.2429 C 0 0 0
- 2.5192 -0.4968 -0.4403 C 0 0 0
- -1.0939 -0.1547 -0.0298 C 0 0 0
- -0.7408 1.1790 -0.0813 C 0 0 0
- 3.2952 0.0251 0.6402 O 0 0 0
- -2.4026 -0.6646 0.1259 C 0 0 0
- -3.3428 0.0972 0.2289 O 0 0 0
- 1.2303 2.0491 0.0000 H 0 0 0
- 2.0139 -1.3761 0.0000 H 0 0 0
- 3.2612 -1.1882 0.0000 H 0 0 0
- -1.3703 1.9742 0.0000 H 0 0 0
- 4.1368 0.5911 0.0000 H 0 0 0
- -2.5589 -1.6667 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 2 0
- 5 6 2 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6344-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3969 -0.6808 -0.0012 C 0 0 0
- -1.0714 -0.4646 -0.0008 C 0 0 0
- 1.0462 0.5495 -0.0003 C 0 0 0
- 1.1522 -1.8552 0.0029 C 0 0 0
- -1.3389 0.9014 0.0004 C 0 0 0
- -2.1336 -1.3707 -0.0014 C 0 0 0
- -0.0138 1.6235 0.0008 C 0 0 0
- 2.4303 0.6074 -0.0006 C 0 0 0
- 2.5308 -1.7917 0.0013 C 0 0 0
- -2.6412 1.3546 0.0010 C 0 0 0
- -3.4330 -0.9084 -0.0007 C 0 0 0
- 3.1730 -0.5683 -0.0017 C 0 0 0
- 3.0788 1.8446 -0.0001 N 0 0 0
- -3.6890 0.4512 0.0005 C 0 0 0
- 0.6736 -2.7821 0.0000 H 0 0 0
- -1.9446 -2.3966 0.0000 H 0 0 0
- 0.7937 2.2839 0.0000 H 0 0 0
- -0.5961 2.4890 0.0000 H 0 0 0
- 3.0908 -2.6718 0.0000 H 0 0 0
- -2.8365 2.3793 0.0000 H 0 0 0
- -4.2258 -1.5864 0.0000 H 0 0 0
- 4.2153 -0.5266 0.0000 H 0 0 0
- 4.1211 1.8872 0.0000 H 0 0 0
- 2.5208 2.7260 0.0000 H 0 0 0
- -4.6736 0.7957 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 1 0
- 10 14 2 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-924-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.5335 0.0443 -0.1311 C 0 0 0
- -0.5722 0.8033 -0.2650 N 0 0 0
- 1.8271 0.6761 0.1713 C 0 0 0
- 0.4609 -1.1633 -0.2554 O 0 0 0
- -1.8604 0.1741 -0.5662 C 0 0 0
- 2.9182 -0.0729 0.3034 C 0 0 0
- -2.5258 -0.1569 0.6544 O 0 0 0
- -0.4987 1.7998 0.0000 H 0 0 0
- 1.9006 1.6726 0.0000 H 0 0 0
- -1.7937 1.1711 0.0000 H 0 0 0
- -2.6918 0.7284 0.0000 H 0 0 0
- 2.8404 -1.0691 0.0000 H 0 0 0
- 3.8198 0.3578 0.0000 H 0 0 0
- -3.4204 -0.6019 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5392-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -1.3791 -0.7995 -0.2145 C 0 0 0
- 0.0372 -0.9225 -0.7145 C 0 0 0
- -2.0245 0.3641 -0.3178 C 0 0 0
- -2.0688 -1.9920 0.3964 C 0 0 0
- 1.0088 -0.5757 0.4154 C 0 0 0
- -3.3991 0.4835 0.1674 C 0 0 0
- 2.4251 -0.6987 -0.0845 C 0 0 0
- -3.9859 1.5413 0.0735 O 0 0 0
- 3.2528 0.3093 0.0379 C 0 0 0
- 3.8360 0.9588 -1.1906 C 0 0 0
- 3.6217 0.8194 1.4071 C 0 0 0
- -0.4077 -1.8047 0.0000 H 0 0 0
- 0.6912 -1.6632 0.0000 H 0 0 0
- -1.4867 1.1930 0.0000 H 0 0 0
- -2.9241 -1.4973 0.0000 H 0 0 0
- -2.5635 -2.8473 0.0000 H 0 0 0
- -1.2135 -2.4867 0.0000 H 0 0 0
- 1.4537 0.3065 0.0000 H 0 0 0
- 0.3548 0.1650 0.0000 H 0 0 0
- -3.9369 -0.3454 0.0000 H 0 0 0
- 2.8084 -1.6094 0.0000 H 0 0 0
- 4.5712 0.2987 0.0000 H 0 0 0
- 4.4961 1.6940 0.0000 H 0 0 0
- 3.1008 1.6189 0.0000 H 0 0 0
- 4.4223 0.2404 0.0000 H 0 0 0
- 4.2007 1.6200 0.0000 H 0 0 0
- 2.8211 1.3984 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 2 0
- 7 9 2 0
- 9 10 1 0
- 9 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20268-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6722 0.4382 0.0035 C 0 0 0
- 0.0452 -0.8842 0.0012 C 0 0 0
- 2.1400 0.5216 0.0022 C 0 0 0
- -0.1054 1.5846 0.0012 C 0 0 0
- -1.3418 -0.9998 0.0018 C 0 0 0
- 0.8918 -2.0757 -0.0023 C 0 0 0
- 2.8981 -0.6679 -0.0012 C 0 0 0
- 2.7886 1.7576 0.0039 C 0 0 0
- -1.4991 1.4754 -0.0035 C 0 0 0
- -2.1311 0.1540 0.0047 C 0 0 0
- -2.0872 -2.5676 -0.0016 Cl 0 0 0
- 2.2340 -1.9674 -0.0034 C 0 0 0
- 4.2978 -0.5863 -0.0025 C 0 0 0
- 4.1644 1.8049 0.0021 C 0 0 0
- -2.3205 2.6205 -0.0064 C 0 0 0
- -3.5385 0.0757 0.0059 C 0 0 0
- 4.9101 0.6330 -0.0004 C 0 0 0
- -3.6717 2.4760 -0.0113 C 0 0 0
- -4.2733 1.2186 0.0092 C 0 0 0
- 0.3490 2.5295 0.0000 H 0 0 0
- 0.4488 -3.0260 0.0000 H 0 0 0
- 2.2308 2.6454 0.0000 H 0 0 0
- 2.8168 -2.8389 0.0000 H 0 0 0
- 4.8740 -1.4623 0.0000 H 0 0 0
- 4.6531 2.7325 0.0000 H 0 0 0
- -1.8920 3.5774 0.0000 H 0 0 0
- -4.0151 -0.8582 0.0000 H 0 0 0
- 5.9572 0.6861 0.0000 H 0 0 0
- -4.2771 3.3320 0.0000 H 0 0 0
- -5.3197 1.1530 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93673-31-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- 1.1909 0.9823 0.1672 C 0 0 0
- 1.8883 -0.2099 0.1086 C 0 0 0
- 2.2037 2.0965 0.2729 C 0 0 0
- -0.1973 0.9261 0.1262 C 0 0 0
- 3.2759 -0.0770 0.1594 C 0 0 0
- 1.2428 -1.5090 0.0026 C 0 0 0
- 3.5808 1.3973 0.2671 C 0 0 0
- 3.0535 2.0741 -0.8757 O 0 0 0
- -0.8719 -0.3722 0.0245 C 0 0 0
- -0.9976 2.1469 0.1826 C 0 0 0
- 4.0268 -1.2086 0.1061 C 0 0 0
- -0.1531 -1.5598 -0.0424 C 0 0 0
- 2.0766 -2.6427 -0.0477 C 0 0 0
- -2.3425 -0.3936 -0.0156 C 0 0 0
- -2.3423 2.0928 0.1439 C 0 0 0
- 3.4272 -2.4660 0.0036 C 0 0 0
- -3.0540 0.8223 0.0445 C 0 0 0
- -3.0382 -1.6001 -0.1115 C 0 0 0
- -4.4555 0.7973 0.0074 C 0 0 0
- -4.4143 -1.5921 -0.1458 C 0 0 0
- -5.1142 -0.3939 -0.0867 C 0 0 0
- 1.7935 3.0578 0.0000 H 0 0 0
- 4.5986 1.6345 0.0000 H 0 0 0
- -0.5195 3.0762 0.0000 H 0 0 0
- 5.0693 -1.1350 0.0000 H 0 0 0
- -0.6496 -2.4794 0.0000 H 0 0 0
- 1.6665 -3.6040 0.0000 H 0 0 0
- -2.8887 2.9837 0.0000 H 0 0 0
- 4.0412 -3.3117 0.0000 H 0 0 0
- -2.5180 -2.5066 0.0000 H 0 0 0
- -4.9944 1.6928 0.0000 H 0 0 0
- -4.9372 -2.4970 0.0000 H 0 0 0
- -6.1593 -0.4062 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 14 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 5 7 1 0
- 7 8 1 0
- 9 12 2 0
- 13 16 1 0
- 15 17 1 0
- 20 21 1 0
- 3 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7251-61-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.2202 0.6278 -0.0029 C 0 0 0
- -0.4600 -0.7697 -0.0009 C 0 0 0
- 1.0376 1.0818 -0.0023 N 0 0 0
- -1.3121 1.5135 0.0005 C 0 0 0
- 0.5746 -1.6169 0.0015 N 0 0 0
- -1.7847 -1.2408 -0.0010 C 0 0 0
- 2.0372 0.2297 0.0000 C 0 0 0
- -2.5802 1.0207 0.0056 C 0 0 0
- 1.8011 -1.1465 0.0019 C 0 0 0
- -2.8160 -0.3534 -0.0029 C 0 0 0
- 3.4542 0.7429 0.0006 C 0 0 0
- -1.1522 2.5341 0.0000 H 0 0 0
- -1.9741 -2.2563 0.0000 H 0 0 0
- -3.3802 1.6743 0.0000 H 0 0 0
- 2.5996 -1.8019 0.0000 H 0 0 0
- -3.7881 -0.7029 0.0000 H 0 0 0
- 3.8060 -0.2284 0.0000 H 0 0 0
- 4.4255 1.0947 0.0000 H 0 0 0
- 3.1024 1.7142 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.6044 0.3766 -0.0011 C 0 0 0
- -0.7465 0.5678 -0.0013 N 0 0 0
- 1.4685 1.4769 -0.0011 C 0 0 0
- 1.1293 -0.9207 0.0049 C 0 0 0
- -1.5417 -0.4479 -0.0014 N 0 0 0
- 2.8309 1.2798 -0.0009 C 0 0 0
- 2.4924 -1.1094 0.0051 C 0 0 0
- -2.8953 -0.2563 -0.0016 C 0 0 0
- 3.3490 -0.0119 -0.0007 C 0 0 0
- -3.7600 -1.3544 -0.0016 C 0 0 0
- -3.4211 1.0383 0.0040 C 0 0 0
- 4.7277 -0.2071 -0.0010 N 0 0 0
- -5.1242 -1.1533 -0.0019 C 0 0 0
- -4.7879 1.2239 0.0036 C 0 0 0
- 5.2751 -1.5660 -0.0008 C 0 0 0
- 5.6308 0.9464 -0.0014 C 0 0 0
- -5.6377 0.1320 -0.0022 C 0 0 0
- 1.0817 2.4433 0.0000 H 0 0 0
- 0.4895 -1.7418 0.0000 H 0 0 0
- 3.4744 2.0980 0.0000 H 0 0 0
- 2.8836 -2.0740 0.0000 H 0 0 0
- -3.3752 -2.3216 0.0000 H 0 0 0
- -2.7829 1.8606 0.0000 H 0 0 0
- -5.7694 -1.9702 0.0000 H 0 0 0
- -5.1810 2.1878 0.0000 H 0 0 0
- 4.3096 -1.9549 0.0000 H 0 0 0
- 5.6640 -2.5315 0.0000 H 0 0 0
- 6.2406 -1.1771 0.0000 H 0 0 0
- 6.4504 0.3047 0.0000 H 0 0 0
- 6.2725 1.7660 0.0000 H 0 0 0
- 4.8112 1.5881 0.0000 H 0 0 0
- -6.6684 0.2779 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 1 0
- 7 9 1 0
- 14 17 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32954-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 1.6713 0.1501 0.0047 C 0 0 0
- 0.3057 0.6827 -0.0149 C 0 0 0
- 2.9226 0.8996 -0.1932 C 0 0 0
- 2.0511 -1.1473 0.2168 C 0 0 0
- -0.8657 -0.2386 0.2087 C 0 0 0
- 0.1185 1.8653 -0.2112 O 0 0 0
- 3.9112 -0.0001 -0.0888 C 0 0 0
- 3.3837 -1.2103 0.1543 O 0 0 0
- -2.1664 0.5640 0.1386 C 0 0 0
- -3.3557 -0.3714 0.3656 C 0 0 0
- -4.6564 0.4311 0.2954 C 0 0 0
- -3.3653 -1.3833 -0.6435 O 0 0 0
- 3.0271 1.9483 0.0000 H 0 0 0
- 1.3994 -1.9756 0.0000 H 0 0 0
- -1.5202 -1.0647 0.0000 H 0 0 0
- -0.1218 -0.9852 0.0000 H 0 0 0
- 4.9418 0.2203 0.0000 H 0 0 0
- -1.5119 1.3901 0.0000 H 0 0 0
- -2.9103 1.3106 0.0000 H 0 0 0
- -2.4099 -0.8364 0.0000 H 0 0 0
- -4.1030 1.3280 0.0000 H 0 0 0
- -5.5533 0.9845 0.0000 H 0 0 0
- -5.2098 -0.4658 0.0000 H 0 0 0
- -3.3753 -2.4372 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 1 0
- 7 8 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15254-64-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.0844 -0.2273 -0.0013 C 0 0 0
- -0.3802 -0.1674 -0.0009 C 0 0 0
- 1.8131 0.9834 -0.0007 C 0 0 0
- 1.7664 -1.4455 0.0036 C 0 0 0
- -1.0076 1.0987 0.0001 C 0 0 0
- -1.1595 -1.3258 -0.0009 C 0 0 0
- 1.1256 2.2194 0.0007 C 0 0 0
- 3.2145 0.9376 -0.0012 C 0 0 0
- 3.1322 -1.4566 0.0034 C 0 0 0
- -0.2215 2.2745 0.0002 C 0 0 0
- -2.4080 1.1677 0.0006 C 0 0 0
- -2.5216 -1.2253 0.0000 C 0 0 0
- -0.5006 -2.6812 -0.0025 C 0 0 0
- 3.8525 -0.2679 -0.0021 C 0 0 0
- -3.1424 0.0182 0.0000 C 0 0 0
- -4.6473 0.0977 0.0010 C 0 0 0
- 1.2321 -2.3486 0.0000 H 0 0 0
- 1.6759 3.1129 0.0000 H 0 0 0
- 3.7704 1.8276 0.0000 H 0 0 0
- 3.6435 -2.3729 0.0000 H 0 0 0
- -0.6970 3.2099 0.0000 H 0 0 0
- -2.8893 2.1001 0.0000 H 0 0 0
- -3.1060 -2.0968 0.0000 H 0 0 0
- -1.4443 -3.1400 0.0000 H 0 0 0
- -0.0418 -3.6249 0.0000 H 0 0 0
- 0.4431 -2.2224 0.0000 H 0 0 0
- 4.9014 -0.2983 0.0000 H 0 0 0
- -4.5919 1.1456 0.0000 H 0 0 0
- -5.6952 0.1531 0.0000 H 0 0 0
- -4.7027 -0.9502 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 2 0
- 11 15 2 0
- 15 16 1 0
- 7 10 2 0
- 9 14 1 0
- 12 15 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-127-19-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.6420 -0.0028 -0.0016 C 0 0 0
- -0.7052 0.0335 -0.0004 N 0 0 0
- 1.4304 1.2816 -0.0009 C 0 0 0
- 1.2199 -1.0690 0.0017 O 0 0 0
- -1.4716 -1.2151 -0.0011 C 0 0 0
- -1.4033 1.3215 0.0017 C 0 0 0
- 2.3668 0.7068 0.0000 H 0 0 0
- 2.0052 2.2180 0.0000 H 0 0 0
- 0.4940 1.8564 0.0000 H 0 0 0
- -2.4080 -0.6403 0.0000 H 0 0 0
- -2.0464 -2.1515 0.0000 H 0 0 0
- -0.5352 -1.7899 0.0000 H 0 0 0
- -0.4373 1.8451 0.0000 H 0 0 0
- -1.9269 2.2875 0.0000 H 0 0 0
- -2.3693 0.7979 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16090-02-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-104109 1 V2000
- 5.7482 -4.0137 1.0487 C 0 0 0
- 5.1572 -4.9644 1.8561 N 0 0 0
- 5.0111 -3.0466 0.5118 N 0 0 0
- 7.0556 -4.0621 0.8124 N 0 0 0
- 6.2252 -5.8776 2.2840 C 0 0 0
- 4.2545 -5.7440 0.9989 C 0 0 0
- 5.5804 -2.1308 -0.2660 C 0 0 0
- 7.6248 -3.1465 0.0347 C 0 0 0
- 5.6156 -7.0576 3.0420 C 0 0 0
- 3.6942 -6.9273 1.7891 C 0 0 0
- 4.8144 -1.1254 -0.8236 N 0 0 0
- 6.8867 -2.1824 -0.5067 N 0 0 0
- 8.9835 -3.1966 -0.2105 N 0 0 0
- 4.7585 -7.7977 2.1730 O 0 0 0
- 3.4235 -1.1549 -0.6968 C 0 0 0
- 9.6108 -2.1464 -0.8880 C 0 0 0
- 2.6276 -1.3227 -1.8250 C 0 0 0
- 2.8388 -1.0224 0.5577 C 0 0 0
- 10.4694 -1.2933 -0.2070 C 0 0 0
- 9.3811 -1.9577 -2.2450 C 0 0 0
- 1.2560 -1.3528 -1.7041 C 0 0 0
- 1.4675 -1.0514 0.6871 C 0 0 0
- 11.0878 -0.2572 -0.8793 C 0 0 0
- 10.0025 -0.9200 -2.9111 C 0 0 0
- 0.6638 -1.2145 -0.4450 C 0 0 0
- 0.2488 -1.5647 -3.1343 S 0 0 0
- 10.8529 -0.0690 -2.2288 C 0 0 0
- -0.8029 -1.2456 -0.3112 C 0 0 0
- 0.0729 -2.9674 -3.2781 O 0 0 0
- -0.7990 -0.6125 -3.0132 O 0 0 0
- 1.0698 -1.1253 -4.3382 O 0 0 0
- -1.4573 -0.1713 0.1602 C 0 0 0
- -2.9089 -0.2405 0.4015 C 0 0 0
- -3.7713 0.6448 -0.2528 C 0 0 0
- -3.4286 -1.1949 1.2808 C 0 0 0
- -5.1278 0.5769 -0.0245 C 0 0 0
- -3.1232 1.8458 -1.3674 S 0 0 0
- -4.7867 -1.2563 1.5037 C 0 0 0
- -5.6403 -0.3705 0.8555 C 0 0 0
- -2.0728 2.4966 -0.6657 O 0 0 0
- -2.9899 1.1812 -2.6163 O 0 0 0
- -4.1992 2.9022 -1.5739 O 0 0 0
- -7.0167 -0.4357 1.0847 N 0 0 0
- -7.8042 0.6815 0.8834 C 0 0 0
- -7.4445 1.5958 -0.0124 N 0 0 0
- -8.9243 0.8396 1.5815 N 0 0 0
- -8.2021 2.6707 -0.2059 C 0 0 0
- -9.6820 1.9147 1.3879 C 0 0 0
- -7.8285 3.6200 -1.1355 N 0 0 0
- -9.3196 2.8315 0.4962 N 0 0 0
- -10.8464 2.0788 2.1131 N 0 0 0
- -8.8601 4.6653 -1.1093 C 0 0 0
- -7.9138 2.9768 -2.4533 C 0 0 0
- -11.1940 1.1485 3.0976 C 0 0 0
- -8.6029 5.6658 -2.2368 C 0 0 0
- -7.6802 4.0196 -3.5472 C 0 0 0
- -11.1314 1.4996 4.4402 C 0 0 0
- -11.6079 -0.1265 2.7350 C 0 0 0
- -8.7094 5.0075 -3.4989 O 0 0 0
- -11.4757 0.5787 5.4098 C 0 0 0
- -11.9510 -1.0430 3.7099 C 0 0 0
- -11.8826 -0.6920 5.0455 C 0 0 0
- 18.5496 7.4793 1.6028 Na 0 3 0
- 25.3423 12.2751 4.0233 Na 0 3 0
- 6.9973 -6.3549 0.0000 H 0 0 0
- 6.7604 -5.1444 0.0000 H 0 0 0
- 3.9625 -4.8845 0.0000 H 0 0 0
- 3.3482 -5.6920 0.0000 H 0 0 0
- 5.8976 -7.9205 0.0000 H 0 0 0
- 6.5204 -7.1306 0.0000 H 0 0 0
- 2.9079 -6.4736 0.0000 H 0 0 0
- 3.1783 -7.6742 0.0000 H 0 0 0
- 5.2086 -0.3077 0.0000 H 0 0 0
- 9.4169 -3.9942 0.0000 H 0 0 0
- 2.7316 -2.2245 0.0000 H 0 0 0
- 2.9302 -0.1192 0.0000 H 0 0 0
- 11.1847 -1.8523 0.0000 H 0 0 0
- 8.4867 -2.1129 0.0000 H 0 0 0
- 1.3672 -0.1492 0.0000 H 0 0 0
- 11.9811 -0.0959 0.0000 H 0 0 0
- 9.2866 -0.3618 0.0000 H 0 0 0
- 10.8029 0.8374 0.0000 H 0 0 0
- -1.2391 -2.0417 0.0000 H 0 0 0
- -1.0317 0.6305 0.0000 H 0 0 0
- -2.9474 -1.9647 0.0000 H 0 0 0
- -5.6119 1.3448 0.0000 H 0 0 0
- -5.1229 -2.0995 0.0000 H 0 0 0
- -7.4154 -1.2512 0.0000 H 0 0 0
- -11.3105 2.8590 0.0000 H 0 0 0
- -9.6846 5.0452 0.0000 H 0 0 0
- -9.3815 3.9222 0.0000 H 0 0 0
- -8.7627 2.6551 0.0000 H 0 0 0
- -7.2280 2.3820 0.0000 H 0 0 0
- -7.7449 5.9624 0.0000 H 0 0 0
- -9.2703 6.2811 0.0000 H 0 0 0
- -6.8448 3.6645 0.0000 H 0 0 0
- -7.1801 4.7772 0.0000 H 0 0 0
- -10.8918 2.3752 0.0000 H 0 0 0
- -10.7509 -0.4258 0.0000 H 0 0 0
- -12.3334 0.8762 0.0000 H 0 0 0
- -12.1978 -1.9166 0.0000 H 0 0 0
- -12.7619 -0.4664 0.0000 H 0 0 0
- 1.8702 -0.6970 0.0000 H 0 0 0
- -4.8470 3.5382 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 2 0
- 16 20 1 0
- 17 21 2 0
- 18 22 1 0
- 19 23 1 0
- 20 24 2 0
- 21 25 1 0
- 21 26 1 0
- 23 27 2 0
- 25 28 1 0
- 26 29 2 0
- 26 30 2 0
- 26 31 1 0
- 28 32 2 0
- 32 33 1 0
- 33 34 1 0
- 33 35 2 0
- 34 36 2 0
- 34 37 1 0
- 35 38 1 0
- 36 39 1 0
- 37 40 2 0
- 37 41 2 0
- 37 42 1 0
- 39 43 1 0
- 43 44 1 0
- 44 45 1 0
- 44 46 2 0
- 45 47 2 0
- 46 48 1 0
- 47 49 1 0
- 47 50 1 0
- 48 51 1 0
- 49 52 1 0
- 49 53 1 0
- 51 54 1 0
- 52 55 1 0
- 53 56 1 0
- 54 57 1 0
- 54 58 2 0
- 55 59 1 0
- 57 60 2 0
- 58 61 1 0
- 60 62 1 0
- 8 12 1 0
- 10 14 1 0
- 22 25 2 0
- 24 27 1 0
- 38 39 2 0
- 48 50 2 0
- 56 59 1 0
- 61 62 2 0
- 5 65 1 0
- 5 66 1 0
- 6 67 1 0
- 6 68 1 0
- 9 69 1 0
- 9 70 1 0
- 10 71 1 0
- 10 72 1 0
- 11 73 1 0
- 13 74 1 0
- 17 75 1 0
- 18 76 1 0
- 19 77 1 0
- 20 78 1 0
- 22 79 1 0
- 23 80 1 0
- 24 81 1 0
- 27 82 1 0
- 28 83 1 0
- 32 84 1 0
- 35 85 1 0
- 36 86 1 0
- 38 87 1 0
- 43 88 1 0
- 51 89 1 0
- 52 90 1 0
- 52 91 1 0
- 53 92 1 0
- 53 93 1 0
- 55 94 1 0
- 55 95 1 0
- 56 96 1 0
- 56 97 1 0
- 57 98 1 0
- 58 99 1 0
- 60100 1 0
- 61101 1 0
- 62102 1 0
- 31103 1 0
- 42104 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3096-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7105 -0.0308 -0.0021 C 0 0 0
- -0.4861 -0.7368 -0.0010 C 0 0 0
- 0.6938 1.3580 -0.0017 C 0 0 0
- 1.9276 -0.7162 0.0021 N 0 0 0
- -1.6875 -0.0561 0.0006 C 0 0 0
- -0.4728 -2.2437 -0.0019 C 0 0 0
- -0.5115 2.0326 -0.0001 C 0 0 0
- 3.1462 0.0049 0.0009 O 0 0 0
- -1.7005 1.3269 0.0006 C 0 0 0
- -2.9859 -0.8211 0.0019 C 0 0 0
- 1.5894 1.8903 0.0000 H 0 0 0
- 1.9388 -1.7580 0.0000 H 0 0 0
- -1.5146 -2.2529 0.0000 H 0 0 0
- -0.4636 -3.2855 0.0000 H 0 0 0
- 0.5690 -2.2345 0.0000 H 0 0 0
- -0.5247 3.0744 0.0000 H 0 0 0
- 4.0428 0.5355 0.0000 H 0 0 0
- -2.6083 1.8381 0.0000 H 0 0 0
- -3.5148 0.0765 0.0000 H 0 0 0
- -3.8835 -1.3500 0.0000 H 0 0 0
- -2.4570 -1.7187 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 9 2 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.0767 0.0001 -0.3741 N 0 0 0
- -0.3870 -1.1782 0.1676 C 0 0 0
- -0.3870 1.1782 0.1679 C 0 0 0
- -2.4282 0.0000 0.2017 C 0 0 0
- 1.0829 -1.1487 -0.2533 C 0 0 0
- 1.0829 1.1488 -0.2530 C 0 0 0
- 1.7208 0.0000 0.3045 O 0 0 0
- -1.3453 -1.5386 0.0000 H 0 0 0
- -0.1937 -2.1836 0.0000 H 0 0 0
- -0.1938 2.1837 0.0000 H 0 0 0
- -1.3453 1.5386 0.0000 H 0 0 0
- -2.4283 1.0239 0.0000 H 0 0 0
- -3.4521 -0.0001 0.0000 H 0 0 0
- -2.4281 -1.0239 0.0000 H 0 0 0
- 0.9242 -2.1602 0.0000 H 0 0 0
- 2.0511 -1.4817 0.0000 H 0 0 0
- 2.0511 1.4818 0.0000 H 0 0 0
- 0.9242 2.1603 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54-91-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -1.2914 1.3481 -0.4478 N 0 0 0
- -2.6297 1.3481 -0.2883 C 0 0 0
- -0.5487 2.6131 -0.5364 C 0 0 0
- -0.5480 0.0830 -0.5300 C 0 0 0
- -3.3780 0.0430 -0.1991 C 0 0 0
- -3.2319 2.3984 -0.2167 O 0 0 0
- 0.5486 2.6132 0.5351 C 0 0 0
- 0.5494 0.0889 0.5415 C 0 0 0
- -4.8716 0.3226 -0.0212 C 0 0 0
- 1.2914 1.3481 0.4467 N 0 0 0
- -5.8477 -1.3799 0.0953 Br 0 0 0
- 2.6297 1.3481 0.2873 C 0 0 0
- 3.3779 0.0430 0.1982 C 0 0 0
- 3.2318 2.3984 0.2154 O 0 0 0
- 4.8715 0.3226 0.0202 C 0 0 0
- 5.8476 -1.3800 -0.0960 Br 0 0 0
- -0.3551 3.6962 0.0000 H 0 0 0
- -1.5808 2.9944 0.0000 H 0 0 0
- -1.5793 -0.3004 0.0000 H 0 0 0
- -0.3503 -0.9993 0.0000 H 0 0 0
- -3.6999 -1.0091 0.0000 H 0 0 0
- -2.3684 -0.3943 0.0000 H 0 0 0
- 1.5806 2.9946 0.0000 H 0 0 0
- 0.3548 3.6962 0.0000 H 0 0 0
- 0.3590 -0.9947 0.0000 H 0 0 0
- 1.5817 -0.2917 0.0000 H 0 0 0
- -4.5497 1.3747 0.0000 H 0 0 0
- -5.8812 0.7599 0.0000 H 0 0 0
- 2.3683 -0.3943 0.0000 H 0 0 0
- 3.6998 -1.0091 0.0000 H 0 0 0
- 5.8811 0.7599 0.0000 H 0 0 0
- 4.5496 1.3747 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 15 16 1 0
- 8 10 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 1.2179 0.1914 -0.0855 C 0 0 0
- -0.0175 0.6264 -0.4404 O 0 0 0
- 1.8495 -0.9638 -0.8187 C 0 0 0
- 1.8673 0.7824 0.8961 C 0 0 0
- -1.1092 -0.0130 0.0093 C 0 0 0
- -2.4817 0.4934 -0.3527 C 0 0 0
- -0.9912 -0.9944 0.7043 O 0 0 0
- 1.0023 -1.4270 0.0000 H 0 0 0
- 2.3127 -1.8110 0.0000 H 0 0 0
- 2.6967 -0.5006 0.0000 H 0 0 0
- 2.7872 0.4889 0.0000 H 0 0 0
- 1.6615 1.7258 0.0000 H 0 0 0
- -2.1475 1.3993 0.0000 H 0 0 0
- -3.3876 0.8276 0.0000 H 0 0 0
- -2.8159 -0.4125 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 5 7 2 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-8065-41-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 45 1 V2000
- -9.1380 0.8852 -0.0337 C 0 0 0
- -10.0268 -0.1020 0.4125 C 0 0 0
- -7.8708 0.5195 -0.5059 C 0 0 0
- -9.5358 2.2976 -0.0121 C 0 0 0
- -9.6548 -1.4153 0.3854 C 0 0 0
- -7.5068 -0.7965 -0.5296 C 0 0 0
- -8.5783 3.3576 -0.4925 C 0 0 0
- -10.6354 2.6120 0.3924 O 0 0 0
- -8.3934 -1.7746 -0.0850 C 0 0 0
- -8.0189 -3.1118 -0.1104 N 0 0 0
- -6.6932 -3.4919 -0.6046 C 0 0 0
- 8.1467 0.4621 -0.0978 C 0 0 1
- 7.1763 -0.6157 0.3894 C 0 0 1
- 9.4498 -0.1949 -0.5574 C 0 0 1
- 7.5603 1.1724 -1.1903 O 0 0 0
- 5.8732 0.0413 0.8490 C 0 0 1
- 6.8928 -1.5512 -0.7072 N 0 0 0
- 10.4056 0.8668 -1.0372 C 0 0 0
- 10.0362 -0.9052 0.5352 O 0 0 0
- 4.9028 -1.0366 1.3362 C 0 0 0
- 6.1490 0.9513 1.9157 O 0 0 0
- 11.4784 1.0012 -0.4992 O 0 0 0
- -11.0239 0.1299 0.0000 H 0 0 0
- -7.1429 1.2394 0.0000 H 0 0 0
- -10.3792 -2.1387 0.0000 H 0 0 0
- -6.5108 -1.0331 0.0000 H 0 0 0
- -7.8186 2.6714 0.0000 H 0 0 0
- -7.8921 4.1173 0.0000 H 0 0 0
- -9.3380 4.0438 0.0000 H 0 0 0
- -8.7450 -3.8335 0.0000 H 0 0 0
- -6.9754 -4.4760 0.0000 H 0 0 0
- -5.7091 -3.7741 0.0000 H 0 0 0
- -6.4110 -2.5078 0.0000 H 0 0 0
- 8.7855 1.2621 0.0000 H 0 0 0
- 8.0679 -1.1187 0.0000 H 0 0 0
- 8.8110 -0.9949 0.0000 H 0 0 0
- 6.9086 1.9619 0.0000 H 0 0 0
- 4.9816 0.5443 0.0000 H 0 0 0
- 5.8959 -1.7839 0.0000 H 0 0 0
- 7.5928 -2.2982 0.0000 H 0 0 0
- 9.9317 1.7743 0.0000 H 0 0 0
- 10.6879 -1.6947 0.0000 H 0 0 0
- 4.1420 -0.3516 0.0000 H 0 0 0
- 4.2178 -1.7974 0.0000 H 0 0 0
- 5.6636 -1.7216 0.0000 H 0 0 0
- 6.4459 1.9310 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 13 17 1 0
- 14 18 1 0
- 14 19 1 0
- 16 20 1 0
- 16 21 1 0
- 18 22 2 0
- 6 9 2 0
- 2 23 1 0
- 3 24 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 7 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 20 45 1 0
- 21 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-129-15-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.5705 -0.1962 -0.0756 C 0 0 0
- 0.0090 -1.4867 -0.0488 C 0 0 0
- 1.9472 -0.0406 0.0409 C 0 0 0
- -0.3108 0.9830 -0.2215 C 0 0 0
- -1.4562 -1.6504 -0.1716 C 0 0 0
- 0.8356 -2.5955 0.0937 C 0 0 0
- 2.7564 -1.1556 0.1826 C 0 0 0
- 2.5463 1.3126 0.0132 N 0 3 0
- -1.7690 0.8226 -0.0301 C 0 0 0
- 0.1574 2.0704 -0.4948 O 0 0 0
- -2.3307 -0.4676 -0.0134 C 0 0 0
- -1.9356 -2.7432 -0.4000 O 0 0 0
- 2.2049 -2.4230 0.2088 C 0 0 0
- 4.2484 -0.9861 0.3093 C 0 0 0
- 2.6968 1.9334 1.0503 O 0 0 0
- 2.8888 1.8054 -1.0467 O 0 5 0
- -2.5892 1.9351 0.1239 C 0 0 0
- -3.7019 -0.6195 0.1620 C 0 0 0
- -3.9518 1.7662 0.3023 C 0 0 0
- -4.5049 0.4987 0.3091 C 0 0 0
- 0.4295 -3.5496 0.0000 H 0 0 0
- 2.8265 -3.2529 0.0000 H 0 0 0
- 4.3654 -2.0164 0.0000 H 0 0 0
- 5.2787 -0.8691 0.0000 H 0 0 0
- 4.1314 0.0442 0.0000 H 0 0 0
- -2.1796 2.8877 0.0000 H 0 0 0
- -4.1236 -1.5668 0.0000 H 0 0 0
- -4.5721 2.5971 0.0000 H 0 0 0
- -5.5360 0.3893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 17 19 2 0
- 18 20 2 0
- 7 13 2 0
- 9 11 2 0
- 19 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 17 26 1 0
- 18 27 1 0
- 19 28 1 0
- 20 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.8594 -0.9876 0.0000 C 0 0 0
- -0.3151 -0.0433 0.0000 C 0 0 0
- 2.1412 -0.1951 0.0000 C 0 0 0
- -1.5665 -0.5286 0.0000 O 0 0 0
- -0.1301 1.1508 0.0000 O 0 0 0
- 3.4684 -0.9089 0.0000 C 0 0 0
- 2.1048 1.0119 0.0000 O 0 0 0
- -2.6981 0.3813 0.0000 C 0 0 0
- -3.9994 -0.4233 0.0000 C 0 0 0
- 0.0708 -1.7682 0.0000 H 0 0 0
- 1.5459 -1.8594 0.0000 H 0 0 0
- 2.9428 -1.8862 0.0000 H 0 0 0
- 4.4457 -1.4345 0.0000 H 0 0 0
- 3.9940 0.0684 0.0000 H 0 0 0
- -1.9095 1.1619 0.0000 H 0 0 0
- -3.3846 1.2531 0.0000 H 0 0 0
- -4.5830 0.5205 0.0000 H 0 0 0
- -4.9432 -1.0069 0.0000 H 0 0 0
- -3.4158 -1.3671 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 8 9 1 0
- 1 10 1 0
- 1 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17057-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.4243 -0.8352 0.0111 C 0 0 0
- -1.0446 -0.6252 -0.0099 C 0 0 0
- 1.0698 0.3894 -0.1348 C 0 0 0
- 1.1842 -1.9980 0.1515 C 0 0 0
- -1.3169 0.7305 -0.1690 C 0 0 0
- -2.1035 -1.5286 0.0992 C 0 0 0
- 0.0055 1.4522 -0.2575 C 0 0 0
- 2.4473 0.4519 -0.1453 C 0 0 0
- 2.5615 -1.9262 0.1382 C 0 0 0
- -2.6208 1.1763 -0.2183 C 0 0 0
- -3.4046 -1.0737 0.0489 C 0 0 0
- 0.1293 2.4347 0.9088 C 0 0 0
- 3.1942 -0.7048 -0.0100 C 0 0 0
- 3.1396 1.7810 -0.3037 C 0 0 0
- -3.6653 0.2756 -0.1095 C 0 0 0
- 0.7158 -2.9203 0.0000 H 0 0 0
- -1.9132 -2.5454 0.0000 H 0 0 0
- 0.9840 1.7878 0.0000 H 0 0 0
- 3.1218 -2.7957 0.0000 H 0 0 0
- -2.8173 2.1919 0.0000 H 0 0 0
- -4.1873 -1.7500 0.0000 H 0 0 0
- 1.1556 2.3054 0.0000 H 0 0 0
- 0.2586 3.4610 0.0000 H 0 0 0
- -0.8970 2.5640 0.0000 H 0 0 0
- 4.2274 -0.6555 0.0000 H 0 0 0
- 4.0570 1.3031 0.0000 H 0 0 0
- 3.6175 2.6984 0.0000 H 0 0 0
- 2.2222 2.2589 0.0000 H 0 0 0
- -4.6425 0.6149 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 2 0
- 5 7 1 0
- 9 13 1 0
- 11 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-47-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6402 0.4267 0.0317 C 0 0 0
- -0.4996 -0.3551 0.0275 C 0 0 0
- 0.5332 1.8049 0.0066 C 0 0 0
- 2.2294 -0.3329 0.0765 S 0 0 0
- -1.7467 0.2410 -0.0018 C 0 0 0
- -0.7135 2.4009 -0.0228 C 0 0 0
- 2.6661 -0.5596 -1.3637 O 0 0 0
- 3.1128 0.6506 0.5976 O 0 0 0
- 2.0233 -1.6272 0.6258 O 0 0 0
- -1.8536 1.6188 -0.0269 C 0 0 0
- -2.9673 -0.5962 -0.0068 N 0 3 0
- -4.0659 -0.0711 -0.0327 O 0 0 0
- -2.8730 -1.8104 0.0149 O 0 5 0
- -0.4192 -1.3884 0.0000 H 0 0 0
- 1.3879 2.3911 0.0000 H 0 0 0
- -0.7939 3.4342 0.0000 H 0 0 0
- 3.5860 -1.0371 0.0000 H 0 0 0
- -2.7886 2.0659 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 1 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74407-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.9105 0.1871 -0.4116 C 0 0 0
- 0.5893 -0.1238 0.2433 C 0 0 0
- 3.2629 -0.2815 0.7029 S 0 0 0
- 2.0301 -0.6004 -1.7179 C 0 0 0
- 1.9916 1.6855 -0.7101 C 0 0 0
- -0.5627 0.1421 -0.4038 N 0 0 0
- 0.5627 -0.6133 1.3526 O 0 0 0
- 4.6880 0.1912 -0.3150 C 0 0 0
- -1.8470 -0.1602 0.2328 C 0 0 2
- -2.2656 -1.5637 -0.1221 C 0 0 0
- -2.9058 0.8279 -0.2607 C 0 0 0
- -3.0098 -2.2793 0.7357 O 0 0 0
- -1.9312 -2.0449 -1.1787 O 0 0 0
- -2.4020 2.5174 0.1664 S 0 0 0
- 1.0237 -0.7532 0.0000 H 0 0 0
- 2.1829 -1.6068 0.0000 H 0 0 0
- 3.0365 -0.4476 0.0000 H 0 0 0
- 3.0081 1.6305 0.0000 H 0 0 0
- 2.0466 2.7020 0.0000 H 0 0 0
- 0.9751 1.7405 0.0000 H 0 0 0
- -0.5649 1.1601 0.0000 H 0 0 0
- 5.0085 -0.7750 0.0000 H 0 0 0
- 5.6542 0.5117 0.0000 H 0 0 0
- 4.3675 1.1574 0.0000 H 0 0 0
- -1.5854 0.8236 0.0000 H 0 0 0
- -3.8253 1.2647 0.0000 H 0 0 0
- -3.4782 -0.0139 0.0000 H 0 0 0
- -3.7436 -2.9849 0.0000 H 0 0 0
- -2.1111 3.4929 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 9 6 1 0
- 9 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-602-01-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.5548 -0.1433 -0.0025 C 0 0 0
- -0.4247 0.8324 -0.0004 C 0 0 0
- 1.8892 0.2170 -0.0023 C 0 0 0
- 0.1745 -1.5738 0.0013 N 0 3 0
- -1.8537 0.4465 -0.0006 N 0 3 0
- -0.0696 2.1682 0.0014 C 0 0 0
- 2.2444 1.5532 -0.0001 C 0 0 0
- 2.9569 -0.8465 -0.0041 C 0 0 0
- 0.0141 -2.1641 -1.0519 O 0 0 0
- 0.0220 -2.1606 1.0577 O 0 5 0
- -2.7166 1.3061 0.0012 O 0 0 0
- -2.1666 -0.7306 -0.0026 O 0 5 0
- 1.2652 2.5286 0.0015 C 0 0 0
- -0.8040 2.8998 0.0000 H 0 0 0
- 3.2452 1.8235 0.0000 H 0 0 0
- 2.2253 -1.5810 0.0000 H 0 0 0
- 3.6914 -1.5781 0.0000 H 0 0 0
- 3.6885 -0.1120 0.0000 H 0 0 0
- 1.5316 3.5304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41267-76-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 1.5250 -0.0401 -0.1403 C 0 0 0
- 0.4146 -0.8895 -0.2199 C 0 0 0
- 1.3148 1.3268 -0.0028 C 0 0 0
- 2.7620 -0.6547 -0.2216 N 0 0 0
- -0.8688 -0.4008 -0.1217 C 0 0 0
- 0.6858 -2.3598 -0.4290 C 0 0 0
- 0.0481 1.8323 0.1110 C 0 0 0
- 2.4629 2.3096 -0.0170 C 0 0 0
- 2.8282 -1.7487 0.7439 C 0 0 0
- 3.8316 0.2690 0.1554 C 0 0 0
- -1.0610 0.9836 0.0597 C 0 0 0
- -1.9396 -1.2208 -0.1950 O 0 0 0
- 1.7363 -2.7904 0.5944 C 0 0 0
- 3.6877 1.5919 -0.6001 C 0 0 0
- -2.4233 1.5015 0.1846 C 0 0 0
- -3.1921 -0.7507 -0.0871 C 0 0 0
- -3.4552 0.6202 0.1076 C 0 0 0
- -2.6758 2.9724 0.3933 C 0 0 0
- -4.1260 -1.5292 -0.1604 O 0 0 0
- -0.3562 -2.3514 0.0000 H 0 0 0
- 0.4803 -3.3814 0.0000 H 0 0 0
- -0.0939 2.8647 0.0000 H 0 0 0
- 3.0860 3.1448 0.0000 H 0 0 0
- 1.7018 3.0214 0.0000 H 0 0 0
- 3.3533 -2.6488 0.0000 H 0 0 0
- 3.8255 -1.4465 0.0000 H 0 0 0
- 4.3412 -0.6400 0.0000 H 0 0 0
- 4.8241 0.5866 0.0000 H 0 0 0
- 1.2104 -3.6901 0.0000 H 0 0 0
- 2.5538 -3.4367 0.0000 H 0 0 0
- 4.7241 1.4833 0.0000 H 0 0 0
- 4.0128 2.5820 0.0000 H 0 0 0
- -4.4386 0.9649 0.0000 H 0 0 0
- -1.6487 3.1487 0.0000 H 0 0 0
- -2.8521 3.9995 0.0000 H 0 0 0
- -3.7029 2.7961 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 11 15 1 0
- 12 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 7 11 1 0
- 9 13 1 0
- 10 14 1 0
- 16 17 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-05-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.4170 0.4972 0.0898 C 0 0 0
- -0.8997 0.9100 0.1472 N 0 0 0
- 0.7086 -0.8004 0.0755 N 0 0 0
- 1.3961 1.3966 0.0431 N 0 0 0
- -1.9319 -0.0302 0.0592 C 0 0 0
- 1.9704 -1.1925 0.0206 C 0 0 0
- 2.6556 0.9983 -0.0117 C 0 0 0
- -3.2543 0.3920 -0.0155 C 0 0 0
- -1.6377 -1.3868 0.0407 C 0 0 0
- 2.9430 -0.2947 -0.0202 N 0 0 0
- 2.3521 -2.8859 0.0025 Cl 0 0 0
- 3.9340 2.1712 -0.0732 Cl 0 0 0
- -4.2711 -0.5396 -0.1022 C 0 0 0
- -3.6277 2.0873 0.0007 Cl 0 0 0
- -2.6593 -2.3128 -0.0462 C 0 0 0
- -3.9739 -1.8903 -0.1147 C 0 0 0
- -1.1230 1.9205 0.0000 H 0 0 0
- -0.6523 -1.7029 0.0000 H 0 0 0
- -5.2579 -0.2276 0.0000 H 0 0 0
- -2.4408 -3.3244 0.0000 H 0 0 0
- -4.7394 -2.5868 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 13 16 1 0
- 7 10 1 0
- 15 16 2 0
- 2 17 1 0
- 9 18 1 0
- 13 19 1 0
- 15 20 1 0
- 16 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100986-85-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 51 1 V2000
- 0.0078 -1.1189 -0.1294 C 0 0 0
- -1.3400 -0.8333 -0.3320 C 0 0 0
- 0.8421 -0.1407 0.4397 C 0 0 0
- 0.5270 -2.3497 -0.4938 N 0 0 0
- -1.8321 0.4214 0.0145 C 0 0 0
- -2.1912 -1.7561 -0.8486 O 0 0 0
- 2.2606 -0.4637 0.6678 C 0 0 0
- 0.3293 1.1136 0.7822 C 0 0 0
- 1.8078 -2.6817 -0.2842 C 0 0 0
- -0.3732 -3.3157 -1.1455 C 0 0 2
- -3.1809 0.7161 -0.1938 N 0 0 0
- -0.9922 1.3874 0.5681 C 0 0 0
- -1.4951 -2.5238 -1.8266 C 0 0 0
- 2.7151 -1.8089 0.2796 C 0 0 0
- 3.0261 0.3485 1.1578 O 0 0 0
- -0.9740 -4.2457 -0.0896 C 0 0 0
- -3.2251 1.9046 -1.0545 C 0 0 0
- -3.7322 1.1120 1.1080 C 0 0 0
- -1.4880 2.6011 0.8943 F 0 0 0
- 4.1117 -2.2148 0.4885 C 0 0 0
- -4.6743 2.3610 -1.2271 C 0 0 0
- -5.1814 1.5683 0.9354 C 0 0 0
- 4.9890 -1.3525 1.0400 O 0 0 0
- 4.4760 -3.3283 0.1641 O 0 0 0
- -5.2255 2.7568 0.0747 N 0 0 0
- -6.6446 3.0668 -0.1445 C 0 0 0
- 12.1704 6.8293 -1.3258 O 0 0 0
- 0.9623 1.8752 0.0000 H 0 0 0
- 2.0587 -3.6397 0.0000 H 0 0 0
- 0.4080 -3.9243 0.0000 H 0 0 0
- -2.4452 -2.8033 0.0000 H 0 0 0
- -1.6570 -3.5008 0.0000 H 0 0 0
- -1.8058 -3.7083 0.0000 H 0 0 0
- -1.5114 -5.0775 0.0000 H 0 0 0
- -0.1422 -4.7831 0.0000 H 0 0 0
- -2.2377 1.8285 0.0000 H 0 0 0
- -3.0371 2.8769 0.0000 H 0 0 0
- -2.8779 1.6129 0.0000 H 0 0 0
- -3.8435 2.0960 0.0000 H 0 0 0
- -5.5286 1.8601 0.0000 H 0 0 0
- -4.5630 1.3770 0.0000 H 0 0 0
- -6.1688 1.6444 0.0000 H 0 0 0
- -5.3694 0.5960 0.0000 H 0 0 0
- 5.6953 -0.6583 0.0000 H 0 0 0
- -6.4333 4.0343 0.0000 H 0 0 0
- -7.6121 3.2781 0.0000 H 0 0 0
- -6.8559 2.0993 0.0000 H 0 0 0
- 11.1801 6.8293 0.0000 H 0 0 0
- 13.1607 6.8293 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 25 26 1 0
- 8 12 2 0
- 9 14 2 0
- 10 13 1 0
- 22 25 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 13 31 1 0
- 13 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 26 45 1 0
- 26 46 1 0
- 26 47 1 0
- 27 48 1 0
- 27 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1211-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.1421 0.0000 -0.0016 C 0 0 0
- -1.6255 0.0002 -0.0016 C 0 0 0
- 0.5573 1.1636 -0.3154 C 0 0 0
- 0.5573 -1.1626 0.3179 C 0 0 0
- -2.3235 -1.0964 -0.5045 C 0 0 0
- -2.3235 1.0949 0.5068 C 0 0 0
- 1.9377 1.1578 -0.3134 C 0 0 0
- 1.9372 -1.1568 0.3167 C 0 0 0
- -3.7023 -1.0942 -0.5036 C 0 0 0
- -3.7018 1.0931 0.5058 C 0 0 0
- 2.6264 0.0000 -0.0007 C 0 0 0
- -4.3962 0.0005 -0.0016 C 0 0 0
- 4.1067 -0.0002 -0.0008 N 0 3 0
- -5.7918 0.0007 -0.0016 N 0 0 0
- 4.7156 -1.0186 0.2742 O 0 0 0
- 4.7158 1.0181 -0.2758 O 0 5 0
- 0.0582 2.0503 0.0000 H 0 0 0
- 0.0583 -2.0494 0.0000 H 0 0 0
- -1.8346 -1.9888 0.0000 H 0 0 0
- -1.8348 1.9874 0.0000 H 0 0 0
- 2.4426 2.0413 0.0000 H 0 0 0
- 2.4418 -2.0405 0.0000 H 0 0 0
- -4.1935 -1.9854 0.0000 H 0 0 0
- -4.1923 1.9846 0.0000 H 0 0 0
- -6.3005 0.8820 0.0000 H 0 0 0
- -6.3007 -0.8805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 8 11 1 0
- 10 12 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3695-86-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.6857 0.0533 -0.0006 C 0 0 0
- -0.3226 1.0055 0.0015 C 0 0 0
- 2.0909 0.4733 -0.0005 C 0 0 0
- 0.3549 -1.3400 0.0032 C 0 0 0
- -1.6703 0.6026 0.0014 C 0 0 0
- 3.0716 -0.4527 -0.0025 O 0 0 0
- 2.3719 1.6566 0.0014 O 0 0 0
- 0.0925 -2.4452 0.0061 N 0 0 0
- -2.7734 1.4403 0.0033 C 0 0 0
- -2.1211 -0.6703 -0.0065 O 0 0 0
- 4.4628 -0.0368 -0.0024 C 0 0 0
- -3.9018 0.6116 0.0016 C 0 0 0
- -3.4603 -0.6684 -0.0046 C 0 0 0
- -0.0826 2.0162 0.0000 H 0 0 0
- -2.7651 2.4791 0.0000 H 0 0 0
- 4.7604 -1.0321 0.0000 H 0 0 0
- 5.4581 0.2608 0.0000 H 0 0 0
- 4.1652 0.9585 0.0000 H 0 0 0
- -4.8934 0.9212 0.0000 H 0 0 0
- -4.0639 -1.5139 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 3 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 1 0
- 12 13 2 0
- 2 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-79-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.5072 -0.0501 -0.0018 C 0 0 0
- -0.8243 -0.6757 -0.0011 C 0 0 0
- 0.6342 1.4515 0.0002 C 0 0 0
- 1.5978 -0.8090 0.0014 C 0 0 0
- -1.9149 0.0833 0.0013 C 0 0 0
- -0.9128 -1.7219 0.0000 H 0 0 0
- 1.6804 1.3630 0.0000 H 0 0 0
- 0.7227 2.4977 0.0000 H 0 0 0
- -0.4120 1.5400 0.0000 H 0 0 0
- 1.5094 -1.8552 0.0000 H 0 0 0
- 2.5481 -0.3625 0.0000 H 0 0 0
- -1.8264 1.1295 0.0000 H 0 0 0
- -2.8652 -0.3632 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71-43-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.0691 -1.3806 0.0000 C 0 0 0
- -1.1609 -0.7504 0.0000 C 0 0 0
- 1.2303 -0.6302 0.0000 C 0 0 0
- -1.2302 0.6304 0.0000 C 0 0 0
- 1.1611 0.7502 0.0000 C 0 0 0
- -0.0694 1.3806 0.0000 C 0 0 0
- 0.1210 -2.4160 0.0000 H 0 0 0
- -2.0317 -1.3131 0.0000 H 0 0 0
- 2.1530 -1.1030 0.0000 H 0 0 0
- -2.1529 1.1031 0.0000 H 0 0 0
- 2.0319 1.3129 0.0000 H 0 0 0
- -0.1214 2.4160 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 4 6 2 0
- 5 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67508-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 77 1 V2000
- 0.3039 -1.2121 -0.0344 C 0 0 0
- -0.2651 -2.3510 0.4776 C 0 0 0
- 1.7766 -1.1063 -0.3370 C 0 0 2
- -0.4906 -0.0894 -0.3020 C 0 0 0
- -1.6425 -2.3952 0.7302 C 0 0 0
- 0.5383 -3.5854 0.7976 C 0 0 0
- 2.5558 -2.2004 0.3894 C 0 0 0
- 2.2538 0.1722 0.0870 O 0 0 0
- -1.8617 -0.1175 -0.0572 C 0 0 0
- 0.0801 1.0342 -0.8033 O 0 0 0
- -2.4465 -1.2871 0.4690 C 0 0 0
- -2.1981 -3.5257 1.2326 O 0 0 0
- 1.8896 -3.5480 0.0875 C 0 0 2
- 3.1906 0.6111 -0.8989 C 0 0 1
- -2.6971 1.0629 -0.3401 C 0 0 0
- -3.8946 -1.3325 0.7342 C 0 0 0
- 1.6864 -3.6923 -1.3988 C 0 0 0
- 2.7147 -4.6120 0.5662 O 0 0 0
- 3.1720 2.1395 -0.9754 C 0 0 0
- 4.4973 0.1608 -0.5468 O 0 0 0
- -4.1470 1.0172 -0.0781 C 0 0 0
- -2.1911 2.0734 -0.7895 O 0 0 0
- -4.7319 -0.1479 0.4516 C 0 0 0
- -4.4002 -2.3424 1.1844 O 0 0 0
- 2.8223 -4.1579 -2.2729 C 0 0 0
- 0.6133 -3.4350 -1.8893 O 0 0 0
- 3.5300 2.7128 0.4005 C 0 0 1
- 4.7488 0.5730 0.7953 C 0 0 2
- -4.9475 2.1322 -0.3452 C 0 0 0
- -6.1003 -0.1809 0.6989 C 0 0 0
- 4.8578 2.0982 0.8575 C 0 0 1
- 3.6741 4.1713 0.3007 N 0 0 0
- 6.0569 -0.0522 1.2842 C 0 0 0
- -6.3147 2.0761 -0.0932 C 0 0 0
- -4.3935 3.2635 -0.8474 O 0 0 0
- -6.8806 0.9321 0.4322 C 0 0 0
- 5.9079 2.5363 -0.0070 O 0 0 0
- 2.3243 4.7164 0.1036 C 0 0 0
- 4.1313 4.6411 1.6154 C 0 0 0
- -5.4548 4.2067 -1.0083 C 0 0 0
- 2.7927 -0.9726 0.0000 H 0 0 0
- -0.4081 -3.9787 0.0000 H 0 0 0
- 0.7527 -4.5876 0.0000 H 0 0 0
- 3.3879 -2.7987 0.0000 H 0 0 0
- 3.2821 -1.4774 0.0000 H 0 0 0
- 0.5442 1.9480 0.0000 H 0 0 0
- -2.6501 -4.4455 0.0000 H 0 0 0
- 3.2450 -0.4123 0.0000 H 0 0 0
- 3.3427 -5.4219 0.0000 H 0 0 0
- 2.5283 2.9370 0.0000 H 0 0 0
- 2.2077 1.7923 0.0000 H 0 0 0
- 2.4336 -5.1062 0.0000 H 0 0 0
- 3.7706 -4.5466 0.0000 H 0 0 0
- 3.2110 -3.2096 0.0000 H 0 0 0
- 2.5599 3.0433 0.0000 H 0 0 0
- 3.7726 0.8853 0.0000 H 0 0 0
- -6.5623 -1.0958 0.0000 H 0 0 0
- 4.8774 3.1229 0.0000 H 0 0 0
- 5.6149 -0.9769 0.0000 H 0 0 0
- 6.9816 -0.4942 0.0000 H 0 0 0
- 6.4989 0.8725 0.0000 H 0 0 0
- -6.8731 2.9355 0.0000 H 0 0 0
- -7.9025 0.8542 0.0000 H 0 0 0
- 6.8538 2.9309 0.0000 H 0 0 0
- 2.7081 5.6667 0.0000 H 0 0 0
- 1.3740 5.1002 0.0000 H 0 0 0
- 1.9405 3.7661 0.0000 H 0 0 0
- 4.8658 3.9263 0.0000 H 0 0 0
- 4.8461 5.3756 0.0000 H 0 0 0
- 3.3968 5.3559 0.0000 H 0 0 0
- -4.7740 4.9728 0.0000 H 0 0 0
- -6.2209 4.8875 0.0000 H 0 0 0
- -6.1356 3.4406 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 2 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 27 31 1 0
- 27 32 1 0
- 28 33 1 0
- 29 34 2 0
- 29 35 1 0
- 30 36 2 0
- 31 37 1 0
- 32 38 1 0
- 32 39 1 0
- 35 40 1 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 31 1 0
- 34 36 1 0
- 3 41 1 0
- 6 42 1 0
- 6 43 1 0
- 7 44 1 0
- 7 45 1 0
- 10 46 1 0
- 12 47 1 0
- 14 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 27 55 1 0
- 28 56 1 0
- 30 57 1 0
- 31 58 1 0
- 33 59 1 0
- 33 60 1 0
- 33 61 1 0
- 34 62 1 0
- 36 63 1 0
- 37 64 1 0
- 38 65 1 0
- 38 66 1 0
- 38 67 1 0
- 39 68 1 0
- 39 69 1 0
- 39 70 1 0
- 40 71 1 0
- 40 72 1 0
- 40 73 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5397-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 1.1757 0.5695 -0.0889 C 0 0 0
- -0.0207 -0.2854 -0.5116 C 0 0 0
- 2.4482 0.0228 -0.7392 C 0 0 0
- 0.9538 2.0150 -0.5385 C 0 0 0
- -1.2092 0.2252 0.0957 O 0 0 0
- 3.4080 -0.4638 0.3484 C 0 0 0
- 1.0705 2.9481 0.6685 C 0 0 0
- -2.2851 -0.6108 -0.3352 C 0 0 0
- 4.6224 -1.1283 -0.3033 C 0 0 0
- -3.5944 -0.1160 0.2828 C 0 0 0
- 5.5822 -1.6149 0.7843 C 0 0 0
- -4.7464 -1.0110 -0.1786 C 0 0 0
- -6.0034 -0.5359 0.4148 N 0 0 0
- 1.9903 1.2000 0.0000 H 0 0 0
- -0.5915 -1.1429 0.0000 H 0 0 0
- 0.7196 -1.0016 0.0000 H 0 0 0
- 3.2989 0.6037 0.0000 H 0 0 0
- 2.3488 1.0481 0.0000 H 0 0 0
- 0.0788 2.5585 0.0000 H 0 0 0
- 0.0943 1.4473 0.0000 H 0 0 0
- 4.2824 0.0807 0.0000 H 0 0 0
- 3.3628 0.5653 0.0000 H 0 0 0
- 2.0926 2.8203 0.0000 H 0 0 0
- 1.1983 3.9702 0.0000 H 0 0 0
- 0.0484 3.0759 0.0000 H 0 0 0
- -2.8185 -1.4920 0.0000 H 0 0 0
- -1.5156 -1.2956 0.0000 H 0 0 0
- 3.7480 -1.6728 0.0000 H 0 0 0
- 4.6676 -2.1574 0.0000 H 0 0 0
- -3.0610 0.7652 0.0000 H 0 0 0
- -4.3638 0.5688 0.0000 H 0 0 0
- 5.1164 -2.5336 0.0000 H 0 0 0
- 6.5009 -2.0807 0.0000 H 0 0 0
- 6.0480 -0.6962 0.0000 H 0 0 0
- -5.2798 -1.8922 0.0000 H 0 0 0
- -3.9770 -1.6959 0.0000 H 0 0 0
- -6.1698 0.4806 0.0000 H 0 0 0
- -6.8006 -1.1883 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.9591 0.0608 -0.0028 C 0 0 0
- -0.5387 -1.2825 -0.0014 C 0 0 0
- 0.0369 1.1472 -0.0020 C 0 0 0
- -2.3256 0.3568 0.0009 C 0 0 0
- 0.9033 -1.6058 -0.0001 C 0 0 0
- -1.4855 -2.3012 -0.0017 C 0 0 0
- 1.4797 0.8251 0.0003 C 0 0 0
- -0.3276 2.3068 -0.0037 O 0 0 0
- -3.2562 -0.6787 0.0059 C 0 0 0
- -2.7427 1.6469 -0.0009 O 0 0 0
- 1.9017 -0.5162 -0.0002 C 0 0 0
- 1.2673 -2.7651 0.0016 O 0 0 0
- -2.8368 -1.9930 -0.0034 C 0 0 0
- 2.4264 1.8453 0.0011 C 0 0 0
- -4.1715 1.6190 0.0037 C 0 0 0
- 3.2623 -0.8109 0.0005 C 0 0 0
- 3.7750 1.5349 0.0032 C 0 0 0
- 4.1901 0.2157 -0.0001 C 0 0 0
- -1.1781 -3.2989 0.0000 H 0 0 0
- -4.2769 -0.4594 0.0000 H 0 0 0
- -3.5431 -2.7618 0.0000 H 0 0 0
- 2.1196 2.8432 0.0000 H 0 0 0
- -4.1919 2.6628 0.0000 H 0 0 0
- -5.2153 1.5986 0.0000 H 0 0 0
- -4.1511 0.5752 0.0000 H 0 0 0
- 3.5821 -1.8047 0.0000 H 0 0 0
- 4.4836 2.3015 0.0000 H 0 0 0
- 5.2100 -0.0070 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 10 15 1 0
- 11 16 1 0
- 14 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 1 0
- 17 18 1 0
- 6 19 1 0
- 9 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-152-84-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 68 1 V2000
- 1.1827 2.2440 -0.5403 C 0 0 0
- 1.3918 3.1980 0.4782 C 0 0 0
- 2.3255 1.4724 -1.0651 C 0 0 0
- -0.1025 2.0348 -1.0376 C 0 0 0
- 2.7526 3.4135 1.0080 C 0 0 0
- 0.3163 3.9265 0.9755 C 0 0 0
- 3.6045 1.4802 -0.3212 C 0 0 0
- 2.2175 0.8375 -2.0960 O 0 0 0
- -1.1731 2.7748 -0.5200 C 0 0 0
- -0.3149 1.1208 -2.0167 O 0 0 0
- 3.8136 2.4313 0.6943 C 0 0 0
- 2.9985 4.3862 1.6942 O 0 0 0
- -0.9560 3.7154 0.4727 C 0 0 0
- 4.6007 0.5556 -0.6162 C 0 0 0
- -2.4272 2.5754 -0.9997 O 0 0 0
- 5.0152 2.4392 1.3950 C 0 0 0
- 5.7906 0.5773 0.0905 C 0 0 0
- -3.0287 1.5719 -0.1791 C 0 0 2
- 5.9961 1.5121 1.0889 C 0 0 0
- -2.5227 0.2903 -0.5476 O 0 0 0
- -4.5473 1.6031 -0.3658 C 0 0 1
- -3.0035 -0.6542 0.4070 C 0 0 2
- -5.1843 0.5481 0.5458 C 0 0 2
- -5.0438 2.8967 -0.0165 O 0 0 0
- -2.3321 -2.0080 0.1676 C 0 0 0
- -4.5201 -0.8053 0.2682 C 0 0 2
- -6.5828 0.4586 0.2660 O 0 0 0
- -0.9167 -1.8689 0.3064 O 0 0 0
- -4.9910 -1.7695 1.2119 O 0 0 0
- -0.3499 -3.1597 0.0725 C 0 0 1
- 1.1328 -3.0102 -0.2757 C 0 0 1
- -0.4927 -3.9609 1.2438 O 0 0 0
- 1.7213 -4.3968 -0.5600 C 0 0 2
- 1.2690 -2.1879 -1.4364 O 0 0 0
- -0.0846 -5.2868 0.9121 C 0 0 0
- 1.4198 -5.3114 0.6326 C 0 0 1
- 3.1358 -4.2880 -0.7312 O 0 0 0
- 1.8250 -6.6464 0.3235 O 0 0 0
- 0.5251 4.8803 0.0000 H 0 0 0
- -0.5359 0.1698 0.0000 H 0 0 0
- -1.6245 4.4270 0.0000 H 0 0 0
- 4.2522 -0.3564 0.0000 H 0 0 0
- 5.3731 3.3476 0.0000 H 0 0 0
- 6.4093 -0.1780 0.0000 H 0 0 0
- -2.0556 1.4920 0.0000 H 0 0 0
- 6.9292 1.7993 0.0000 H 0 0 0
- -5.5198 1.6893 0.0000 H 0 0 0
- -2.0272 -0.6593 0.0000 H 0 0 0
- -5.6911 1.3826 0.0000 H 0 0 0
- -5.3936 3.8082 0.0000 H 0 0 0
- -3.2527 -2.3332 0.0000 H 0 0 0
- -2.1202 -2.9611 0.0000 H 0 0 0
- -5.4964 -0.8062 0.0000 H 0 0 0
- -7.5571 0.3962 0.0000 H 0 0 0
- -5.4195 -2.6468 0.0000 H 0 0 0
- -1.3194 -3.2753 0.0000 H 0 0 0
- 2.1023 -2.8947 0.0000 H 0 0 0
- 0.7458 -4.4373 0.0000 H 0 0 0
- 1.4285 -1.2247 0.0000 H 0 0 0
- -1.0427 -5.4746 0.0000 H 0 0 0
- 0.0018 -6.2593 0.0000 H 0 0 0
- 2.3961 -5.3230 0.0000 H 0 0 0
- 4.1093 -4.2131 0.0000 H 0 0 0
- 2.1086 -7.5807 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 2 0
- 18 15 1 0
- 16 19 2 0
- 18 20 1 0
- 18 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 1 0
- 22 25 1 0
- 22 26 1 0
- 23 27 1 0
- 25 28 1 0
- 26 29 1 0
- 30 28 1 0
- 30 31 1 0
- 30 32 1 0
- 31 33 1 0
- 31 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 1 0
- 36 38 1 0
- 7 11 2 0
- 9 13 2 0
- 17 19 1 0
- 23 26 1 0
- 35 36 1 0
- 6 39 1 0
- 10 40 1 0
- 13 41 1 0
- 14 42 1 0
- 16 43 1 0
- 17 44 1 0
- 18 45 1 0
- 19 46 1 0
- 21 47 1 0
- 22 48 1 0
- 23 49 1 0
- 24 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 27 54 1 0
- 29 55 1 0
- 30 56 1 0
- 31 57 1 0
- 33 58 1 0
- 34 59 1 0
- 35 60 1 0
- 35 61 1 0
- 36 62 1 0
- 37 63 1 0
- 38 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.3823 0.0001 -0.0008 C 0 0 0
- -2.8625 0.0001 -0.0009 N 0 3 0
- -0.6913 1.1970 0.0006 C 0 0 0
- -0.6911 -1.1973 0.0035 C 0 0 0
- -3.4715 -1.0548 -0.0021 O 0 0 0
- -3.4715 1.0549 0.0004 O 0 5 0
- 0.6913 1.1970 0.0006 C 0 0 0
- 0.6911 -1.1973 0.0036 C 0 0 0
- 1.3824 0.0001 -0.0009 C 0 0 0
- 2.8625 0.0001 -0.0009 N 0 3 0
- 3.4715 -1.0548 -0.0021 O 0 0 0
- 3.4715 1.0549 0.0004 O 0 5 0
- -1.2096 2.0947 0.0000 H 0 0 0
- -1.2094 -2.0950 0.0000 H 0 0 0
- 1.2096 2.0947 0.0000 H 0 0 0
- 1.2094 -2.0950 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 8 9 1 0
- 3 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13024-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.4094 -0.0001 0.4050 C 0 0 0
- -0.0701 0.0000 0.6918 C 0 0 0
- 2.0868 1.1986 0.2737 C 0 0 0
- 2.0876 -1.1984 0.2795 C 0 0 0
- -0.8452 0.0000 -0.6274 C 0 0 0
- 3.4424 1.2021 0.0110 C 0 0 0
- 3.4436 -1.2021 0.0167 C 0 0 0
- -2.3247 0.0001 -0.3406 C 0 0 0
- 4.1258 -0.0002 -0.1214 C 0 0 0
- -3.0030 1.1971 -0.2091 C 0 0 0
- -3.0045 -1.1972 -0.2147 C 0 0 0
- 5.4970 -0.0003 -0.3877 N 0 0 0
- -4.3603 1.1972 0.0540 C 0 0 0
- -4.3613 -1.1971 0.0483 C 0 0 0
- -5.0388 0.0003 0.1855 C 0 0 0
- 0.4459 0.8936 0.0000 H 0 0 0
- -0.5860 0.8936 0.0000 H 0 0 0
- 1.5656 2.0892 0.0000 H 0 0 0
- 1.5666 -2.0891 0.0000 H 0 0 0
- -1.3612 -0.8936 0.0000 H 0 0 0
- -0.3293 -0.8936 0.0000 H 0 0 0
- 3.9602 2.0947 0.0000 H 0 0 0
- 3.9616 -2.0945 0.0000 H 0 0 0
- -2.4834 2.0886 0.0000 H 0 0 0
- -2.4854 -2.0890 0.0000 H 0 0 0
- 6.0129 -0.8940 0.0000 H 0 0 0
- 6.0130 0.8933 0.0000 H 0 0 0
- -4.8797 2.0888 0.0000 H 0 0 0
- -4.8812 -2.0885 0.0000 H 0 0 0
- -6.0707 0.0007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 2 0
- 14 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-192-65-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 0.1889 -0.4561 -0.0030 C 0 0 0
- -0.9944 -1.2255 -0.0021 C 0 0 0
- 0.1215 1.0045 -0.0021 C 0 0 0
- 1.4379 -1.1022 0.0012 C 0 0 0
- -2.2606 -0.6054 -0.0003 C 0 0 0
- -0.9007 -2.6368 -0.0026 C 0 0 0
- -1.2020 1.6567 -0.0008 C 0 0 0
- 1.2807 1.7503 -0.0021 C 0 0 0
- 2.6507 -0.2843 0.0004 C 0 0 0
- 1.5019 -2.5081 0.0070 C 0 0 0
- -2.3657 0.8650 0.0006 C 0 0 0
- -3.4049 -1.3952 0.0011 C 0 0 0
- 0.3701 -3.2537 -0.0035 C 0 0 0
- -2.0760 -3.4004 -0.0016 C 0 0 0
- -1.3108 3.0464 0.0000 C 0 0 0
- 2.5418 1.1275 -0.0027 C 0 0 0
- 3.9176 -0.8798 0.0048 C 0 0 0
- -3.6168 1.4833 0.0023 C 0 0 0
- -3.3032 -2.7771 0.0006 C 0 0 0
- -2.5561 3.6370 0.0012 C 0 0 0
- 3.7166 1.9028 -0.0026 C 0 0 0
- 5.0346 -0.0977 0.0041 C 0 0 0
- -3.7036 2.8583 0.0032 C 0 0 0
- 4.9324 1.2905 -0.0028 C 0 0 0
- 1.2213 2.7998 0.0000 H 0 0 0
- 2.4384 -2.9855 0.0000 H 0 0 0
- -4.3530 -0.9412 0.0000 H 0 0 0
- 0.4387 -4.3026 0.0000 H 0 0 0
- -2.0202 -4.4501 0.0000 H 0 0 0
- -0.4450 3.6426 0.0000 H 0 0 0
- 4.0076 -1.9271 0.0000 H 0 0 0
- -4.4918 0.9007 0.0000 H 0 0 0
- -4.1783 -3.3594 0.0000 H 0 0 0
- -2.6366 4.6851 0.0000 H 0 0 0
- 3.6552 2.9522 0.0000 H 0 0 0
- 5.9842 -0.5485 0.0000 H 0 0 0
- -4.6475 3.3210 0.0000 H 0 0 0
- 5.8065 1.8744 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 16 21 1 0
- 17 22 2 0
- 18 23 2 0
- 21 24 2 0
- 7 11 1 0
- 9 16 1 0
- 10 13 2 0
- 14 19 1 0
- 20 23 1 0
- 22 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23564-05-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- 0.6187 -1.4040 0.3761 C 0 0 0
- -0.5946 -1.3692 -0.3104 C 0 0 0
- 1.2472 -0.2103 0.7525 N 0 0 0
- 1.1985 -2.6243 0.6900 C 0 0 0
- -1.1882 -0.1405 -0.6259 N 0 0 0
- -1.2117 -2.5551 -0.6803 C 0 0 0
- 2.4656 0.0933 0.2629 C 0 0 0
- 0.5737 -3.8011 0.3226 C 0 0 0
- -2.4427 0.1277 -0.2128 C 0 0 0
- -0.6239 -3.7665 -0.3683 C 0 0 0
- 3.1176 1.1858 0.7077 N 0 0 0
- 3.1851 -0.9088 -0.9242 S 0 0 0
- -3.0595 1.2550 -0.6191 N 0 0 0
- -3.2528 -0.9637 0.8282 S 0 0 0
- 4.3361 1.4893 0.2181 C 0 0 0
- -4.3140 1.5232 -0.2060 C 0 0 0
- 4.9873 2.5804 0.6624 O 0 0 0
- 4.8466 0.7783 -0.6242 O 0 0 0
- -4.9301 2.6491 -0.6119 O 0 0 0
- -4.8889 0.7488 0.5326 O 0 0 0
- 6.2999 2.9074 0.1349 C 0 0 0
- -6.2816 2.9380 -0.1668 C 0 0 0
- 0.6532 0.5469 0.0000 H 0 0 0
- 2.1606 -2.6457 0.0000 H 0 0 0
- -0.5938 0.6164 0.0000 H 0 0 0
- -2.1740 -2.5416 0.0000 H 0 0 0
- 1.0576 -4.6329 0.0000 H 0 0 0
- -1.1464 -4.5746 0.0000 H 0 0 0
- 2.5441 1.9586 0.0000 H 0 0 0
- -2.4845 2.0267 0.0000 H 0 0 0
- 6.5325 1.9736 0.0000 H 0 0 0
- 7.2337 3.1400 0.0000 H 0 0 0
- 6.0673 3.8412 0.0000 H 0 0 0
- -6.0804 3.8791 0.0000 H 0 0 0
- -7.2227 3.1392 0.0000 H 0 0 0
- -6.4828 1.9969 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 2 0
- 9 13 1 0
- 9 14 2 0
- 11 15 1 0
- 13 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 1 0
- 8 10 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97672-08-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.1165 -0.8459 -0.3042 C 0 0 0
- -1.1399 -0.3249 0.0463 C 0 0 0
- 0.9751 0.3122 -0.5933 C 0 0 0
- 0.3174 -2.2246 -0.3230 C 0 0 0
- -1.0424 1.0586 -0.0276 N 0 0 0
- -2.1717 -1.1908 0.3765 C 0 0 0
- 0.2337 1.4114 -0.4125 C 0 0 0
- 2.4211 0.2692 -1.0154 C 0 0 0
- -0.7220 -3.0706 0.0036 C 0 0 0
- -1.9991 1.8864 0.2244 N 0 0 0
- -1.9584 -2.5551 0.3588 C 0 0 0
- 3.2818 0.2985 0.1784 C 0 0 0
- -1.8078 3.0855 0.1292 O 0 0 0
- 3.9459 0.3212 1.0998 N 0 0 0
- 1.2540 -2.5894 0.0000 H 0 0 0
- -3.1128 -0.8379 0.0000 H 0 0 0
- 0.5820 2.3543 0.0000 H 0 0 0
- 1.9112 -0.5970 0.0000 H 0 0 0
- 2.9347 -0.5948 0.0000 H 0 0 0
- -0.5777 -4.0653 0.0000 H 0 0 0
- -2.7491 -3.1757 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 3 0
- 5 7 1 0
- 9 11 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3958-57-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -3.1639 0.7826 0.0536 N 0 3 0
- -4.2384 0.4311 0.5068 O 0 5 0
- -3.0056 1.9323 -0.3162 O 0 0 0
- -2.0485 -0.1857 -0.0420 C 0 0 0
- -0.8292 0.2132 -0.5563 C 0 0 0
- -2.2246 -1.4877 0.3883 C 0 0 0
- 0.2126 -0.6913 -0.6457 C 0 0 0
- -1.1831 -2.3920 0.2990 C 0 0 0
- 1.5421 -0.2564 -1.2064 C 0 0 0
- 0.0350 -1.9943 -0.2203 C 0 0 0
- 2.6811 0.4108 0.2505 Br 0 0 0
- -0.6338 1.1799 0.0000 H 0 0 0
- -3.1474 -1.8358 0.0000 H 0 0 0
- -1.3788 -3.3587 0.0000 H 0 0 0
- 1.4082 -1.2336 0.0000 H 0 0 0
- 2.3624 -0.8039 0.0000 H 0 0 0
- 0.7923 -2.6262 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 1 0
- 10 7 2 0
- 11 9 1 0
- 8 10 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104145-44-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -1.1358 -0.6253 -0.0021 C 0 0 0
- -2.5401 -0.7016 -0.0025 C 0 0 0
- -0.5325 0.6448 -0.0003 C 0 0 0
- -0.6326 -1.9033 0.0017 N 0 0 0
- -2.8809 -2.1332 -0.0040 C 0 0 0
- -3.2789 0.4779 -0.0014 C 0 0 0
- 0.9450 0.7572 0.0001 C 0 0 0
- -1.2732 1.7387 0.0015 N 0 0 0
- -1.6613 -2.8280 0.0039 C 0 0 0
- -4.0836 -2.8362 -0.0049 C 0 0 0
- -2.6013 1.6962 -0.0001 C 0 0 0
- 1.6829 -0.3457 -0.0013 N 0 0 0
- 1.5369 2.0212 -0.0038 C 0 0 0
- -1.6706 -4.2197 0.0078 C 0 0 0
- -4.0716 -4.2140 -0.0062 C 0 0 0
- -3.3708 2.9581 0.0006 C 0 0 0
- 3.0034 -0.2946 -0.0010 C 0 0 0
- 2.9183 2.1229 -0.0035 C 0 0 0
- -2.8677 -4.9020 0.0093 C 0 0 0
- -2.7254 4.1406 0.0019 O 0 0 0
- -4.5852 2.9290 -0.0001 O 0 0 0
- 3.6664 0.9444 0.0008 C 0 0 0
- 3.8085 -1.5424 -0.0021 C 0 0 0
- -3.4814 5.3803 0.0025 C 0 0 0
- 5.1429 0.9820 0.0020 C 0 0 0
- 5.2807 -1.4640 -0.0012 C 0 0 0
- 3.2561 -2.6238 -0.0032 O 0 0 0
- 5.9082 -0.2801 0.0015 C 0 0 0
- 5.7254 2.0481 0.0031 O 0 0 0
- 0.3833 -2.1430 0.0000 H 0 0 0
- -4.3224 0.4508 0.0000 H 0 0 0
- -4.9912 -2.3207 0.0000 H 0 0 0
- 0.9448 2.8808 0.0000 H 0 0 0
- -0.7698 -4.7471 0.0000 H 0 0 0
- -4.9721 -4.7418 0.0000 H 0 0 0
- 3.3872 3.0555 0.0000 H 0 0 0
- -2.8683 -5.9458 0.0000 H 0 0 0
- -2.5902 5.9238 0.0000 H 0 0 0
- -4.0249 6.2715 0.0000 H 0 0 0
- -4.3726 4.8368 0.0000 H 0 0 0
- 5.8425 -2.3438 0.0000 H 0 0 0
- 6.9516 -0.2500 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 1 0
- 13 18 2 0
- 14 19 2 0
- 16 20 1 0
- 16 21 2 0
- 17 22 2 0
- 17 23 1 0
- 20 24 1 0
- 22 25 1 0
- 23 26 1 0
- 23 27 2 0
- 25 28 1 0
- 25 29 2 0
- 5 9 2 0
- 8 11 1 0
- 15 19 1 0
- 18 22 1 0
- 26 28 2 0
- 4 30 1 0
- 6 31 1 0
- 10 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 18 36 1 0
- 19 37 1 0
- 24 38 1 0
- 24 39 1 0
- 24 40 1 0
- 26 41 1 0
- 28 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-736-31-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -4.6158 -0.0423 0.0031 C 0 0 0
- -4.0724 -1.3147 0.0011 C 0 0 0
- -3.7916 1.0696 0.0040 C 0 0 0
- -6.0860 0.1307 -0.0018 N 0 3 0
- -2.7033 -1.4836 -0.0001 C 0 0 0
- -2.4212 0.9162 0.0029 C 0 0 0
- -6.5675 1.2494 0.0000 O 0 0 0
- -6.8140 -0.8458 -0.0077 O 0 5 0
- -1.8650 -0.3659 0.0008 C 0 0 0
- -0.4012 -0.5381 0.0001 C 0 0 0
- 0.4012 0.5381 0.0010 C 0 0 0
- 1.8650 0.3659 0.0002 C 0 0 0
- 2.7033 1.4836 0.0011 C 0 0 0
- 2.4212 -0.9162 0.0043 C 0 0 0
- 4.0724 1.3147 0.0004 C 0 0 0
- 3.7916 -1.0696 0.0036 C 0 0 0
- 4.6158 0.0423 -0.0013 C 0 0 0
- 6.0860 -0.1307 -0.0021 N 0 3 0
- 6.5675 -1.2494 -0.0036 O 0 0 0
- 6.8140 0.8458 -0.0013 O 0 5 0
- -4.6962 -2.1439 0.0000 H 0 0 0
- -4.2059 2.0210 0.0000 H 0 0 0
- -2.2970 -2.4385 0.0000 H 0 0 0
- -1.8044 1.7507 0.0000 H 0 0 0
- 0.0091 -1.4912 0.0000 H 0 0 0
- -0.0091 1.4912 0.0000 H 0 0 0
- 2.2970 2.4385 0.0000 H 0 0 0
- 1.8044 -1.7507 0.0000 H 0 0 0
- 4.6962 2.1439 0.0000 H 0 0 0
- 4.2059 -2.0210 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 6 9 1 0
- 16 17 1 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10312-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.1268 -0.4790 0.2741 C 0 0 0
- -1.1982 0.2287 0.3951 C 0 0 0
- 1.1437 0.4678 -0.0600 O 0 0 0
- -2.1178 -0.0846 -0.3222 O 0 0 0
- 2.3692 -0.2603 -0.1600 C 0 0 0
- -0.4699 -1.3498 0.0000 H 0 0 0
- 0.9267 -1.1678 0.0000 H 0 0 0
- -1.1127 1.2808 0.0000 H 0 0 0
- 1.8300 -1.1678 0.0000 H 0 0 0
- 3.2767 -0.7995 0.0000 H 0 0 0
- 2.9084 0.6472 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-933-88-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2811 0.2561 -0.1702 C 0 0 0
- 0.9387 -0.9770 -0.1476 C 0 0 0
- 1.0033 1.4300 0.0647 C 0 0 0
- -1.1647 0.3191 -0.4460 C 0 0 0
- 2.2935 -1.0275 0.1057 C 0 0 0
- 0.1695 -2.2481 -0.4000 C 0 0 0
- 2.3572 1.3635 0.3166 C 0 0 0
- -1.5583 0.6100 -1.5560 O 0 0 0
- -2.3051 -0.0229 0.8174 Cl 0 0 0
- 3.0015 0.1386 0.3372 C 0 0 0
- 0.5238 2.3398 0.0000 H 0 0 0
- 2.7811 -1.9330 0.0000 H 0 0 0
- -0.7104 -1.7157 0.0000 H 0 0 0
- -0.3629 -3.1280 0.0000 H 0 0 0
- 1.0494 -2.7805 0.0000 H 0 0 0
- 2.9103 2.2305 0.0000 H 0 0 0
- 4.0294 0.1070 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6164-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.3508 -0.1975 0.0040 C 0 0 0
- 0.5216 -1.2862 0.0023 C 0 0 0
- 0.1617 1.1005 0.0035 C 0 0 0
- -1.7076 -0.4022 0.0004 N 0 0 0
- 1.8850 -1.0742 0.0001 C 0 0 0
- -0.0241 -2.6909 0.0022 C 0 0 0
- 1.5266 1.3001 0.0014 C 0 0 0
- -2.5196 0.6158 0.0021 C 0 0 0
- 2.3877 0.2156 -0.0003 C 0 0 0
- -3.8725 0.4117 -0.0015 N 0 0 0
- 4.1043 0.4746 -0.0025 Cl 0 0 0
- -4.7860 1.5570 0.0004 C 0 0 0
- -4.4075 -0.9521 -0.0071 C 0 0 0
- -0.4832 1.9146 0.0000 H 0 0 0
- 2.5354 -1.8839 0.0000 H 0 0 0
- -0.9922 -2.3148 0.0000 H 0 0 0
- -0.4002 -3.6590 0.0000 H 0 0 0
- 0.9440 -3.0670 0.0000 H 0 0 0
- 1.9092 2.2657 0.0000 H 0 0 0
- -2.1403 1.5826 0.0000 H 0 0 0
- -3.9741 2.2046 0.0000 H 0 0 0
- -5.4336 2.3689 0.0000 H 0 0 0
- -5.5979 0.9094 0.0000 H 0 0 0
- -5.3744 -0.5728 0.0000 H 0 0 0
- -4.7868 -1.9190 0.0000 H 0 0 0
- -3.4406 -1.3314 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 1 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3491-12-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.0780 -0.8678 -0.0371 C 0 0 0
- -2.1364 -1.7202 -0.0778 O 0 0 0
- -0.5863 -0.4300 1.1843 C 0 0 0
- -0.4861 -0.4403 -1.2166 C 0 0 0
- -3.2594 -0.9539 -0.0511 C 0 0 0
- 0.4887 0.4357 1.2256 C 0 0 0
- 0.5892 0.4257 -1.1753 C 0 0 0
- -4.5050 -1.5532 0.0693 C 0 0 0
- -3.1587 0.4267 -0.1386 C 0 0 0
- 1.0771 0.8679 0.0456 C 0 0 0
- -5.6457 -0.7757 0.0969 C 0 0 0
- -4.2989 1.2058 -0.1111 C 0 0 0
- 2.1355 1.7203 0.0863 O 0 0 0
- -5.5461 0.6065 0.0041 C 0 0 0
- 3.2585 0.9544 0.0520 C 0 0 0
- -6.7017 1.3950 0.0319 N 0 0 0
- 4.5034 1.5543 -0.0730 C 0 0 0
- 3.1594 -0.4258 0.1477 C 0 0 0
- 5.6442 0.7772 -0.1074 C 0 0 0
- 4.2997 -1.2044 0.1134 C 0 0 0
- 5.5455 -0.6052 -0.0169 C 0 0 0
- 6.7011 -1.3933 -0.0518 N 0 0 0
- -1.2556 0.3602 0.0000 H 0 0 0
- 0.1420 -1.2636 0.0000 H 0 0 0
- -0.1427 1.2565 0.0000 H 0 0 0
- 1.2620 -0.3615 0.0000 H 0 0 0
- -4.5825 -2.5858 0.0000 H 0 0 0
- -2.2259 0.8764 0.0000 H 0 0 0
- -6.5780 -1.2264 0.0000 H 0 0 0
- -4.2205 2.2384 0.0000 H 0 0 0
- -6.6239 2.4276 0.0000 H 0 0 0
- -7.6348 0.9460 0.0000 H 0 0 0
- 4.5804 2.5870 0.0000 H 0 0 0
- 2.2270 -0.8762 0.0000 H 0 0 0
- 6.5763 1.2283 0.0000 H 0 0 0
- 4.2217 -2.2370 0.0000 H 0 0 0
- 6.6236 -2.4259 0.0000 H 0 0 0
- 7.6341 -0.9441 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 21 22 1 0
- 7 10 2 0
- 12 14 2 0
- 20 21 2 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86780-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 49 1 V2000
- -0.7092 -0.3709 -0.3601 C 0 0 0
- -0.4667 0.7133 0.6580 C 0 0 0
- 0.3827 -1.3986 -0.2672 C 0 0 0
- -2.0522 -0.9979 -0.1138 C 0 0 0
- -0.2938 2.0214 0.2467 C 0 0 0
- -0.4227 0.4003 2.0040 C 0 0 0
- 0.1717 -2.5955 0.3071 C 0 0 0
- 1.6604 -1.1001 -0.7948 C 0 0 0
- -2.1658 -2.2108 0.4543 C 0 0 0
- -3.2220 -0.2966 -0.4872 C 0 0 0
- -0.0712 3.0161 1.1808 C 0 0 0
- -0.3465 2.3574 -1.1939 N 0 3 0
- -0.2002 1.3947 2.9378 C 0 0 0
- -1.0543 -2.9200 0.8205 N 0 0 0
- 1.2991 -3.5924 0.3859 C 0 0 0
- 2.6294 -0.6221 0.0137 O 0 0 0
- 1.8860 -1.2743 -1.9778 O 0 0 0
- -3.5339 -2.7967 0.6908 C 0 0 0
- -3.8816 0.4489 0.4240 O 0 0 0
- -3.6338 -0.3653 -1.6302 O 0 0 0
- -0.0220 2.7024 2.5260 C 0 0 0
- 0.2975 1.7044 -1.9954 O 0 0 0
- -1.0337 3.2868 -1.5777 O 0 5 0
- 3.7860 -0.4221 -0.8014 C 0 0 0
- -5.0042 1.0242 -0.2476 C 0 0 0
- 4.9111 0.1138 0.0459 C 0 0 0
- 6.2495 0.4114 -0.5794 C 0 0 0
- 4.7401 0.3048 1.2260 O 0 0 0
- -1.4197 0.2001 0.0000 H 0 0 0
- -0.4594 -0.5105 0.0000 H 0 0 0
- -0.0418 3.9271 0.0000 H 0 0 0
- 0.6970 1.2335 0.0000 H 0 0 0
- -1.1947 -3.8206 0.0000 H 0 0 0
- 0.6953 -4.2752 0.0000 H 0 0 0
- 1.9819 -4.1962 0.0000 H 0 0 0
- 1.9029 -2.9096 0.0000 H 0 0 0
- -3.8927 -1.9588 0.0000 H 0 0 0
- -4.3718 -3.1555 0.0000 H 0 0 0
- -3.1751 -3.6346 0.0000 H 0 0 0
- 0.8895 2.7116 0.0000 H 0 0 0
- 3.5505 -1.3027 0.0000 H 0 0 0
- 4.4868 -1.0050 0.0000 H 0 0 0
- -4.5885 1.8354 0.0000 H 0 0 0
- -5.8154 1.4399 0.0000 H 0 0 0
- -5.4199 0.2130 0.0000 H 0 0 0
- 6.4473 -0.4784 0.0000 H 0 0 0
- 7.1393 0.6092 0.0000 H 0 0 0
- 6.0517 1.3012 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 9 18 1 0
- 10 19 1 0
- 10 20 2 0
- 11 21 2 0
- 12 22 2 0
- 12 23 1 0
- 16 24 1 0
- 19 25 1 0
- 24 26 1 0
- 26 27 1 0
- 26 28 2 0
- 9 14 1 0
- 13 21 1 0
- 1 29 1 0
- 6 30 1 0
- 11 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 15 35 1 0
- 15 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 21 40 1 0
- 24 41 1 0
- 24 42 1 0
- 25 43 1 0
- 25 44 1 0
- 25 45 1 0
- 27 46 1 0
- 27 47 1 0
- 27 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82085-94-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 46 1 V2000
- -1.4762 -0.2914 0.5865 C 0 0 0
- -2.4914 0.6482 1.0891 C 0 0 0
- -0.1192 0.0395 0.6509 C 0 0 0
- -1.8636 -1.5225 0.0473 C 0 0 0
- -3.7432 0.9033 0.2899 C 0 0 1
- -2.3204 1.2171 2.1461 O 0 0 0
- 0.8260 -0.8463 0.1779 C 0 0 0
- -0.9066 -2.3973 -0.4214 C 0 0 0
- -4.9678 0.7266 1.1900 C 0 0 0
- -3.7157 2.3312 -0.2591 C 0 0 0
- 0.4345 -2.0600 -0.3594 C 0 0 0
- -6.2388 0.9856 0.3786 C 0 0 0
- -4.9867 2.5902 -1.0705 C 0 0 0
- 1.4739 -3.0221 -0.8740 C 0 0 0
- -6.2112 2.4134 -0.1704 C 0 0 1
- 1.9115 -3.9537 0.2580 C 0 0 0
- -7.4822 2.6725 -0.9818 C 0 0 0
- 2.9509 -4.9158 -0.2566 C 0 0 0
- -7.4557 4.0434 -1.5089 N 0 0 0
- 3.4830 -5.8326 0.5668 O 0 0 0
- 3.3054 -4.8619 -1.4104 O 0 0 0
- 13.3315 4.6103 -0.0847 Cl 0 0 0
- 0.1279 0.9802 0.0000 H 0 0 0
- -2.8029 -1.7751 0.0000 H 0 0 0
- -3.7713 -0.0689 0.0000 H 0 0 0
- 1.7677 -0.6029 0.0000 H 0 0 0
- -1.1445 -3.3404 0.0000 H 0 0 0
- -5.5249 -0.0707 0.0000 H 0 0 0
- -4.4577 -0.1015 0.0000 H 0 0 0
- -2.7462 2.2536 0.0000 H 0 0 0
- -3.5796 3.2943 0.0000 H 0 0 0
- -7.2083 1.0632 0.0000 H 0 0 0
- -6.3750 0.0225 0.0000 H 0 0 0
- -4.4297 3.3875 0.0000 H 0 0 0
- -5.4969 3.4183 0.0000 H 0 0 0
- 2.4456 -2.9795 0.0000 H 0 0 0
- 1.8088 -2.1089 0.0000 H 0 0 0
- -6.1831 3.3856 0.0000 H 0 0 0
- 0.9398 -3.9963 0.0000 H 0 0 0
- 1.5766 -4.8669 0.0000 H 0 0 0
- -8.4517 2.7501 0.0000 H 0 0 0
- -7.6184 1.7094 0.0000 H 0 0 0
- -6.6041 4.5133 0.0000 H 0 0 0
- -8.2885 4.5459 0.0000 H 0 0 0
- 3.9712 -6.6738 0.0000 H 0 0 0
- 14.3041 4.6103 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 5 2 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 8 11 1 0
- 13 15 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 19 43 1 0
- 19 44 1 0
- 20 45 1 0
- 22 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4337-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.5461 0.6434 0.0035 C 0 0 0
- -1.0546 -0.6737 0.0016 C 0 0 0
- 0.8105 0.9007 0.0031 C 0 0 0
- -2.0042 1.6504 -0.0009 S 0 0 0
- -2.5118 -0.7253 0.0026 C 0 0 0
- -0.1127 -1.7246 -0.0008 C 0 0 0
- 1.7005 -0.1539 0.0007 C 0 0 0
- -3.1976 0.4291 -0.0050 N 0 0 0
- -3.0958 -1.7952 0.0011 O 0 0 0
- 1.2216 -1.4577 -0.0013 C 0 0 0
- 3.1582 0.1031 -0.0004 N 0 3 0
- 3.9411 -0.8300 -0.0025 O 0 0 0
- 3.5749 1.2476 0.0009 O 0 5 0
- 1.1581 1.8795 0.0000 H 0 0 0
- -0.4407 -2.7101 0.0000 H 0 0 0
- -4.2289 0.5523 0.0000 H 0 0 0
- 1.8971 -2.2467 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 5 8 1 0
- 7 10 1 0
- 3 14 1 0
- 6 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88321-09-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 54 1 V2000
- -2.9190 0.7665 -0.8838 C 0 0 2
- -2.9645 -0.7596 -0.9838 C 0 0 2
- -3.2576 0.0890 -2.0956 O 0 0 0
- -1.4872 1.2318 -0.9516 C 0 0 0
- -4.2517 -1.2641 -0.3840 C 0 0 0
- -0.5996 0.8181 -0.0256 N 0 0 0
- -1.1337 1.9785 -1.8395 O 0 0 0
- -4.5348 -1.0150 0.9042 O 0 0 0
- -5.0288 -1.8928 -1.0627 O 0 0 0
- 0.7923 1.2704 -0.0916 C 0 0 2
- -5.7749 -1.5011 1.4821 C 0 0 0
- 1.6930 0.2103 0.4880 C 0 0 0
- 0.9465 2.5645 0.7099 C 0 0 0
- -5.8505 -1.0838 2.9522 C 0 0 0
- 2.8096 -0.1588 -0.1703 N 0 0 0
- 1.4130 -0.3107 1.5468 O 0 0 0
- 2.3545 3.1269 0.5046 C 0 0 0
- 3.6852 -1.1894 0.3931 C 0 0 0
- 2.2711 4.4341 -0.2861 C 0 0 0
- 3.0003 3.3943 1.8655 C 0 0 0
- 4.8722 -1.4185 -0.5447 C 0 0 0
- 5.7867 -2.4949 0.0437 C 0 0 0
- 5.0027 -3.7992 0.2021 C 0 0 0
- 6.9737 -2.7239 -0.8941 C 0 0 0
- -3.5336 1.4805 0.0000 H 0 0 0
- -2.1943 -1.3020 0.0000 H 0 0 0
- -0.6570 -0.1222 0.0000 H 0 0 0
- 1.6943 1.5423 0.0000 H 0 0 0
- -6.6891 -1.7287 0.0000 H 0 0 0
- -5.4886 -2.3986 0.0000 H 0 0 0
- 0.7466 3.4851 0.0000 H 0 0 0
- 0.0055 2.5197 0.0000 H 0 0 0
- -4.9235 -0.9159 0.0000 H 0 0 0
- -6.0184 -0.1568 0.0000 H 0 0 0
- -6.7775 -1.2517 0.0000 H 0 0 0
- 3.3360 0.6225 0.0000 H 0 0 0
- 2.7094 2.2543 0.0000 H 0 0 0
- 2.8197 -1.5614 0.0000 H 0 0 0
- 3.7864 -2.1260 0.0000 H 0 0 0
- 3.2112 4.4941 0.0000 H 0 0 0
- 2.2111 5.3742 0.0000 H 0 0 0
- 1.3310 4.3741 0.0000 H 0 0 0
- 3.3607 2.5239 0.0000 H 0 0 0
- 3.8707 3.7547 0.0000 H 0 0 0
- 2.6399 4.2647 0.0000 H 0 0 0
- 5.7377 -1.0465 0.0000 H 0 0 0
- 4.7710 -0.4819 0.0000 H 0 0 0
- 6.2618 -1.6814 0.0000 H 0 0 0
- 4.1953 -3.3139 0.0000 H 0 0 0
- 4.5174 -4.6066 0.0000 H 0 0 0
- 5.8101 -4.2845 0.0000 H 0 0 0
- 6.7952 -3.6489 0.0000 H 0 0 0
- 7.8987 -2.9024 0.0000 H 0 0 0
- 7.1522 -1.7989 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 10 6 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 13 17 1 0
- 15 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 2 3 1 0
- 1 25 1 0
- 2 26 1 0
- 6 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 20 45 1 0
- 21 46 1 0
- 21 47 1 0
- 22 48 1 0
- 23 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2107-76-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.2029 -2.7811 0.0013 C 0 0 0
- -1.2185 -1.2742 0.0025 C 0 0 0
- -0.0051 -0.5400 0.0015 C 0 0 0
- -2.3952 -0.5951 -0.0013 C 0 0 0
- -0.0479 0.8665 0.0022 C 0 0 0
- 1.2354 -1.2027 -0.0005 C 0 0 0
- -2.3924 0.8140 -0.0005 C 0 0 0
- 1.1355 1.5875 0.0013 C 0 0 0
- -1.2393 1.5046 0.0033 O 0 0 0
- 1.2848 -2.5588 -0.0016 O 0 0 0
- 2.4027 -0.4654 -0.0018 C 0 0 0
- -3.4516 1.4156 -0.0039 O 0 0 0
- 2.3532 0.9251 -0.0003 C 0 0 0
- 3.5076 1.6393 -0.0012 O 0 0 0
- -2.2421 -2.7919 0.0000 H 0 0 0
- -1.1921 -3.8203 0.0000 H 0 0 0
- -0.1637 -2.7703 0.0000 H 0 0 0
- -3.2957 -1.1139 0.0000 H 0 0 0
- 1.1100 2.6265 0.0000 H 0 0 0
- 1.3226 -3.5974 0.0000 H 0 0 0
- 3.3217 -0.9508 0.0000 H 0 0 0
- 4.3914 2.1861 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 1 0
- 11 6 2 0
- 12 7 2 0
- 13 8 2 0
- 14 13 1 0
- 7 9 1 0
- 11 13 1 0
- 1 15 1 0
- 1 16 1 0
- 1 17 1 0
- 4 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3731-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.7968 0.4955 -0.0013 C 0 0 0
- -0.5459 0.7377 -0.0014 N 0 0 0
- 1.7022 1.5626 -0.0014 C 0 0 0
- 1.2721 -0.8203 0.0049 C 0 0 0
- -1.3789 -0.2472 -0.0013 N 0 0 0
- 3.0557 1.3143 -0.0012 C 0 0 0
- 2.6276 -1.0605 0.0050 C 0 0 0
- -2.7244 -0.0045 -0.0015 C 0 0 0
- 3.5247 0.0035 -0.0010 C 0 0 0
- -3.6297 -1.0688 -0.0014 C 0 0 0
- -3.2009 1.3094 0.0039 C 0 0 0
- 4.8951 -0.2437 -0.0008 N 0 0 0
- -4.9857 -0.8163 -0.0016 C 0 0 0
- -3.1258 -2.4891 -0.0005 C 0 0 0
- -4.5593 1.5464 0.0037 C 0 0 0
- 5.3907 -1.6223 -0.0005 C 0 0 0
- 5.8411 0.8749 -0.0009 C 0 0 0
- -5.4501 0.4871 -0.0020 C 0 0 0
- 1.3513 2.5456 0.0000 H 0 0 0
- 0.5999 -1.6188 0.0000 H 0 0 0
- 3.7316 2.1097 0.0000 H 0 0 0
- 2.9830 -2.0419 0.0000 H 0 0 0
- -2.5302 2.1092 0.0000 H 0 0 0
- -5.6632 -1.6104 0.0000 H 0 0 0
- -4.1095 -2.8381 0.0000 H 0 0 0
- -2.7768 -3.4728 0.0000 H 0 0 0
- -2.1421 -2.1401 0.0000 H 0 0 0
- -4.9167 2.5271 0.0000 H 0 0 0
- 4.4085 -1.9754 0.0000 H 0 0 0
- 5.7438 -2.6045 0.0000 H 0 0 0
- 6.3729 -1.2692 0.0000 H 0 0 0
- 6.6381 0.2009 0.0000 H 0 0 0
- 6.5151 1.6719 0.0000 H 0 0 0
- 5.0441 1.5489 0.0000 H 0 0 0
- -6.4773 0.6724 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 12 17 1 0
- 13 18 2 0
- 7 9 2 0
- 15 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5003-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -2.5610 0.8347 0.2397 C 0 0 0
- -3.5253 -0.1554 0.4736 C 0 0 0
- -1.1303 0.4811 0.1973 C 0 0 0
- -2.9641 2.1579 0.0412 C 0 0 0
- -4.8681 0.1885 0.5109 C 0 0 0
- -3.1465 -1.4448 0.6622 O 0 0 0
- -0.2066 1.4360 -0.0278 O 0 0 0
- -0.7841 -0.6715 0.3654 O 0 0 0
- -4.3032 2.4808 0.0765 C 0 0 0
- -5.2523 1.5009 0.3183 C 0 0 0
- -3.1104 -2.2932 -0.3784 C 0 0 0
- 1.0991 1.0939 -0.1906 C 0 0 0
- -2.8093 -3.7522 -0.1510 C 0 0 0
- -3.3193 -1.8866 -1.4969 O 0 0 0
- 2.0271 2.0564 -0.5604 C 0 0 0
- 1.5039 -0.2168 0.0188 C 0 0 0
- 3.3535 1.7096 -0.7255 C 0 0 0
- 2.8296 -0.5648 -0.1459 C 0 0 0
- 3.7583 0.3973 -0.5213 C 0 0 0
- 5.1034 0.0449 -0.6890 N 0 0 0
- 5.7728 -0.5559 0.3148 C 0 0 0
- 7.2438 -0.8495 0.1698 C 0 0 0
- 5.1913 -0.8603 1.3347 O 0 0 0
- -2.2598 2.9051 0.0000 H 0 0 0
- -5.5817 -0.5498 0.0000 H 0 0 0
- -4.5893 3.4669 0.0000 H 0 0 0
- -6.2491 1.7473 0.0000 H 0 0 0
- -3.8149 -3.9597 0.0000 H 0 0 0
- -2.6018 -4.7578 0.0000 H 0 0 0
- -1.8037 -3.5447 0.0000 H 0 0 0
- 1.7493 3.0449 0.0000 H 0 0 0
- 0.7936 -0.9582 0.0000 H 0 0 0
- 4.0636 2.4513 0.0000 H 0 0 0
- 3.1066 -1.5535 0.0000 H 0 0 0
- 5.5901 0.9490 0.0000 H 0 0 0
- 7.0428 -1.8564 0.0000 H 0 0 0
- 8.2507 -1.0505 0.0000 H 0 0 0
- 7.4448 0.1574 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 9 10 1 0
- 18 19 1 0
- 4 24 1 0
- 5 25 1 0
- 9 26 1 0
- 10 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107673-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 1.2423 0.2357 -0.0033 C 0 0 0
- 0.1413 1.0789 -0.0032 C 0 0 0
- 2.5735 0.6606 -0.0018 C 0 0 0
- 1.1843 -1.2169 0.0013 C 0 0 0
- -1.1807 0.4378 -0.0026 C 0 0 0
- 0.3815 2.4526 -0.0033 C 0 0 0
- 3.3878 -0.5555 -0.0002 C 0 0 0
- 2.7829 2.0386 -0.0028 C 0 0 0
- -0.0552 -1.8157 0.0047 C 0 0 0
- 2.5861 -1.6502 0.0016 C 0 0 0
- -1.2371 -1.0311 -0.0061 C 0 0 0
- -2.3407 1.1882 0.0017 C 0 0 0
- 1.6936 2.8989 -0.0027 C 0 0 0
- 4.8679 -0.5867 0.0024 N 0 3 0
- -2.4781 -1.6710 -0.0077 C 0 0 0
- -3.5840 0.5471 0.0021 C 0 0 0
- 5.4546 -1.6541 0.0036 O 0 0 0
- 5.4990 0.4551 0.0034 O 0 5 0
- -3.6513 -0.9164 -0.0034 C 0 0 0
- -4.7852 1.2820 0.0086 C 0 0 0
- -4.9182 -1.5361 -0.0047 C 0 0 0
- -5.9744 0.6232 0.0085 C 0 0 0
- -6.0397 -0.7690 0.0013 C 0 0 0
- -0.4132 3.1330 0.0000 H 0 0 0
- 3.7561 2.4225 0.0000 H 0 0 0
- -0.1263 -2.8595 0.0000 H 0 0 0
- 2.9147 -2.6435 0.0000 H 0 0 0
- -2.2894 2.2331 0.0000 H 0 0 0
- 1.8709 3.9300 0.0000 H 0 0 0
- -2.5280 -2.7160 0.0000 H 0 0 0
- -4.7626 2.3280 0.0000 H 0 0 0
- -4.9940 -2.5795 0.0000 H 0 0 0
- -6.8631 1.1753 0.0000 H 0 0 0
- -6.9762 -1.2353 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 20 22 2 0
- 21 23 2 0
- 7 10 2 0
- 8 13 1 0
- 9 11 2 0
- 16 19 1 0
- 22 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-185-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.6988 0.0000 -0.2164 C 0 0 0
- -2.2016 0.0000 -0.4875 C 0 0 0
- -1.6613 0.0000 0.8360 O 0 0 0
- 0.0778 -1.2924 -0.4785 C 0 0 0
- 0.0778 1.2924 -0.4785 C 0 0 0
- 1.3897 -1.2516 0.3117 C 0 0 0
- 1.3897 1.2516 0.3117 C 0 0 0
- 2.1786 0.0000 -0.0762 C 0 0 0
- -2.7564 0.9610 0.0000 H 0 0 0
- -2.7564 -0.9610 0.0000 H 0 0 0
- -0.9563 -1.6948 0.0000 H 0 0 0
- 0.2994 -2.3797 0.0000 H 0 0 0
- 0.2994 2.3797 0.0000 H 0 0 0
- -0.9563 1.6948 0.0000 H 0 0 0
- 1.2055 -2.3458 0.0000 H 0 0 0
- 2.4264 -1.6472 0.0000 H 0 0 0
- 2.4264 1.6472 0.0000 H 0 0 0
- 1.2055 2.3458 0.0000 H 0 0 0
- 3.0193 -0.7242 0.0000 H 0 0 0
- 3.0193 0.7242 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 3 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7083-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.8248 -0.2531 -0.0013 C 0 0 0
- -0.6528 -0.1286 -0.0006 C 0 0 0
- 1.3971 1.0163 -0.0010 C 0 0 0
- 1.6528 -1.3778 0.0030 C 0 0 0
- -1.0055 1.2171 0.0002 C 0 0 0
- -1.6614 -1.1033 -0.0006 C 0 0 0
- 0.2715 2.0215 0.0000 C 0 0 0
- 2.7683 1.1604 -0.0009 C 0 0 0
- 3.0232 -1.2238 0.0021 C 0 0 0
- -2.3338 1.5886 0.0010 C 0 0 0
- -2.9932 -0.7167 0.0002 C 0 0 0
- -1.3260 -2.4570 -0.0018 N 0 0 0
- 3.5824 0.0417 -0.0011 C 0 0 0
- -3.3267 0.6241 0.0010 C 0 0 0
- 1.2355 -2.3323 0.0000 H 0 0 0
- 1.0347 2.7305 0.0000 H 0 0 0
- -0.3634 2.8474 0.0000 H 0 0 0
- 3.1916 2.1122 0.0000 H 0 0 0
- 3.6397 -2.0635 0.0000 H 0 0 0
- -2.5906 2.5982 0.0000 H 0 0 0
- -3.7439 -1.4389 0.0000 H 0 0 0
- -2.0764 -3.1795 0.0000 H 0 0 0
- -0.3251 -2.7456 0.0000 H 0 0 0
- 4.6182 0.1524 0.0000 H 0 0 0
- -4.3284 0.9100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 2 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-57-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.2815 -0.7578 0.1170 N 0 0 0
- -1.0425 -0.5428 -0.0151 C 0 0 0
- 1.1986 0.3773 0.2462 C 0 0 0
- -1.8862 -1.5871 -0.1340 N 0 0 0
- -1.6525 1.0567 -0.0320 S 0 0 0
- 2.6111 -0.1308 0.3789 C 0 0 0
- 3.5158 0.2109 -0.5047 C 0 0 0
- 0.6567 -1.7392 0.0000 H 0 0 0
- 1.6620 1.3203 0.0000 H 0 0 0
- 0.3130 0.9426 0.0000 H 0 0 0
- -2.9241 -1.4239 0.0000 H 0 0 0
- -1.5086 -2.5676 0.0000 H 0 0 0
- 2.6194 -1.1815 0.0000 H 0 0 0
- 4.3288 -0.4547 0.0000 H 0 0 0
- 3.6858 1.2477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 6 7 2 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 71 1 V2000
- 1.3908 -1.1296 -0.2238 C 0 0 1
- 0.1834 -0.8580 0.6534 C 0 0 1
- 2.1948 0.1770 -0.3105 C 0 0 1
- 2.2680 -2.2168 0.3991 C 0 0 0
- -0.6897 0.1857 -0.0945 C 0 0 1
- -0.7983 -2.0241 0.8128 C 0 0 0
- 3.4220 -0.0467 -1.1953 C 0 0 2
- 1.3518 1.3194 -0.8664 C 0 0 0
- 3.5030 -2.4389 -0.4766 C 0 0 0
- -2.0160 0.1352 0.6565 C 0 0 2
- 0.0564 1.5048 -0.0580 C 0 0 2
- -0.8968 -0.2540 -1.5453 C 0 0 0
- -2.1234 -1.3118 1.1995 C 0 0 0
- 4.3004 -1.1370 -0.5769 C 0 0 2
- 4.2214 1.2541 -1.2968 C 0 0 0
- 2.9727 -0.4834 -2.5911 C 0 0 0
- -3.1646 0.4005 -0.3187 C 0 0 1
- 0.3817 1.8307 1.2948 O 0 0 0
- 4.7420 -0.7010 0.8218 C 0 0 0
- 4.6630 1.6903 0.1017 C 0 0 0
- -4.4943 0.0496 0.3519 C 0 0 0
- -3.1672 1.8786 -0.7138 C 0 0 0
- 5.5393 0.6009 0.7227 C 0 0 1
- -5.6430 0.3148 -0.6233 C 0 0 0
- 5.9509 1.0080 2.0292 O 0 0 0
- -6.9527 -0.0308 0.0372 C 0 0 0
- -8.1045 0.1233 -0.6346 O 0 0 0
- -6.9659 -0.4466 1.1716 O 0 0 0
- 0.8541 -1.9922 0.0000 H 0 0 0
- 0.7124 0.0093 0.0000 H 0 0 0
- 2.7324 1.0390 0.0000 H 0 0 0
- 1.3297 -2.6061 0.0000 H 0 0 0
- 2.3772 -3.2268 0.0000 H 0 0 0
- -1.3397 -2.8837 0.0000 H 0 0 0
- 0.0220 -2.6234 0.0000 H 0 0 0
- 2.2966 1.6928 0.0000 H 0 0 0
- 1.2331 2.3283 0.0000 H 0 0 0
- 3.2010 -3.4089 0.0000 H 0 0 0
- 4.4282 -2.8584 0.0000 H 0 0 0
- -1.9202 1.1466 0.0000 H 0 0 0
- -0.7526 2.1193 0.0000 H 0 0 0
- -1.8159 0.1789 0.0000 H 0 0 0
- -1.3297 -1.1731 0.0000 H 0 0 0
- 0.0223 -0.6869 0.0000 H 0 0 0
- -3.1162 -1.0963 0.0000 H 0 0 0
- -2.4751 -2.2649 0.0000 H 0 0 0
- 5.0963 -1.7684 0.0000 H 0 0 0
- 3.8866 2.2133 0.0000 H 0 0 0
- 3.2114 1.3632 0.0000 H 0 0 0
- 2.2646 0.2451 0.0000 H 0 0 0
- 2.2442 -1.1915 0.0000 H 0 0 0
- 3.6808 -1.2119 0.0000 H 0 0 0
- -3.1488 -0.6153 0.0000 H 0 0 0
- 1.0994 2.5497 0.0000 H 0 0 0
- 5.0771 -1.6600 0.0000 H 0 0 0
- 5.7521 -0.8091 0.0000 H 0 0 0
- 5.4325 2.3535 0.0000 H 0 0 0
- 3.9740 2.4369 0.0000 H 0 0 0
- -5.0585 -0.7952 0.0000 H 0 0 0
- -3.9040 -0.7772 0.0000 H 0 0 0
- -2.1513 1.8804 0.0000 H 0 0 0
- -3.1690 2.8945 0.0000 H 0 0 0
- -4.1831 1.8768 0.0000 H 0 0 0
- 6.3355 -0.0301 0.0000 H 0 0 0
- -5.0788 1.1596 0.0000 H 0 0 0
- -6.2332 1.1416 0.0000 H 0 0 0
- 6.6732 1.7224 0.0000 H 0 0 0
- -9.1114 0.2580 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 15 20 1 0
- 17 21 1 0
- 17 22 1 0
- 19 23 1 0
- 21 24 1 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 26 28 2 0
- 8 11 1 0
- 9 14 1 0
- 10 13 1 0
- 20 23 1 0
- 1 29 1 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 6 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 16 51 1 0
- 16 52 1 0
- 17 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 22 63 1 0
- 23 64 1 0
- 24 65 1 0
- 24 66 1 0
- 25 67 1 0
- 27 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19077-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.0837 -1.0157 0.0621 C 0 0 0
- -1.4909 -1.7294 -0.2784 S 0 0 0
- 0.8305 -1.4709 1.1334 C 0 0 0
- 0.5724 -0.0057 -0.7457 C 0 0 0
- -2.6215 -0.8580 0.5611 N 0 0 0
- -1.7442 -1.4684 -1.6521 O 0 0 0
- -1.4699 -3.0162 0.3240 O 0 0 0
- 2.0649 -0.9136 1.4029 C 0 0 0
- 1.8065 0.5560 -0.4815 C 0 0 0
- -2.7743 0.5015 0.3150 C 0 0 0
- 2.5562 0.1051 0.5967 C 0 0 0
- -3.7258 1.2276 1.0237 C 0 0 0
- -2.0090 1.0950 -0.5882 N 0 0 0
- 3.8066 0.6720 0.8671 N 0 0 0
- -3.8673 2.5799 0.7688 C 0 0 0
- -2.1219 2.3829 -0.8518 C 0 0 0
- 4.7460 0.7237 -0.0979 C 0 0 0
- -3.0494 3.1626 -0.1899 C 0 0 0
- 6.0421 1.4513 0.1504 C 0 0 0
- 4.5481 0.1847 -1.1663 O 0 0 0
- 0.7745 -2.3779 0.0000 H 0 0 0
- -0.0626 0.6444 0.0000 H 0 0 0
- -3.4133 -1.3040 0.0000 H 0 0 0
- 2.6993 -1.5643 0.0000 H 0 0 0
- 1.8584 1.4633 0.0000 H 0 0 0
- -4.5182 0.7827 0.0000 H 0 0 0
- 3.5903 1.5547 0.0000 H 0 0 0
- -4.6957 2.9536 0.0000 H 0 0 0
- -1.3157 2.8022 0.0000 H 0 0 0
- -3.0131 4.0706 0.0000 H 0 0 0
- 6.4870 0.6589 0.0000 H 0 0 0
- 6.8345 1.8962 0.0000 H 0 0 0
- 5.5972 2.2437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 14 17 1 0
- 15 18 2 0
- 17 19 1 0
- 17 20 2 0
- 9 11 2 0
- 16 18 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 8 24 1 0
- 9 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-183249-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.2432 -0.3151 -0.0021 C 0 0 0
- -1.3934 0.5008 -0.0010 C 0 0 0
- 1.1011 0.2634 -0.0008 C 0 0 0
- -0.3790 -1.7195 0.0017 C 0 0 0
- -2.6469 -0.1022 -0.0018 C 0 0 0
- -1.5638 1.9634 0.0008 C 0 0 0
- 2.2152 -0.6070 -0.0013 C 0 0 0
- 1.3030 1.6459 0.0003 C 0 0 0
- -1.6610 -2.2896 0.0058 C 0 0 0
- 0.7754 -2.5381 0.0018 C 0 0 0
- -2.7731 -1.4800 -0.0029 C 0 0 0
- -3.6578 1.0199 -0.0004 C 0 0 0
- -2.8449 2.2934 0.0012 C 0 0 0
- 2.0144 -2.0066 -0.0034 C 0 0 0
- 3.5075 -0.0632 -0.0001 C 0 0 0
- 2.5745 2.1437 0.0010 C 0 0 0
- 3.6722 1.2908 0.0014 C 0 0 0
- -0.7711 2.6549 0.0000 H 0 0 0
- 0.4794 2.3002 0.0000 H 0 0 0
- -1.7717 -3.3357 0.0000 H 0 0 0
- 0.6643 -3.5841 0.0000 H 0 0 0
- -3.7314 -1.9138 0.0000 H 0 0 0
- -4.4902 1.6631 0.0000 H 0 0 0
- -4.3730 0.2486 0.0000 H 0 0 0
- -3.2305 3.2721 0.0000 H 0 0 0
- 2.8492 -2.6466 0.0000 H 0 0 0
- 4.3470 -0.6971 0.0000 H 0 0 0
- 2.7251 3.1848 0.0000 H 0 0 0
- 4.6433 1.6952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 15 17 2 0
- 9 11 2 0
- 10 14 2 0
- 12 13 1 0
- 16 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-158366-45-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.7278 -0.5285 -0.0706 C 0 0 0
- -0.6436 -0.4525 0.0496 N 0 0 0
- 1.6224 0.5628 -0.1529 C 0 0 0
- 1.0678 -1.8703 -0.0897 C 0 0 0
- -1.3936 0.7292 0.1110 N 0 3 0
- -1.1435 -1.7042 0.0978 C 0 0 0
- 1.6533 1.4200 -1.3920 C 0 0 0
- 2.3661 0.8096 0.7749 O 0 0 0
- -0.1215 -2.5927 0.0209 C 0 0 0
- -2.4525 0.8101 -0.4854 O 0 0 0
- -0.9867 1.6757 0.7607 O 0 5 0
- 2.0078 -2.2549 0.0000 H 0 0 0
- -2.1306 -1.9433 0.0000 H 0 0 0
- 2.6683 1.3834 0.0000 H 0 0 0
- 1.6899 2.4350 0.0000 H 0 0 0
- 0.6383 1.4566 0.0000 H 0 0 0
- -0.2076 -3.6047 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 9 2 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55028-70-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 60 1 V2000
- 2.7090 0.3943 -0.2867 C 0 0 2
- 2.6535 -0.8893 0.5607 C 0 0 2
- 4.0859 0.4387 -0.9258 C 0 0 0
- 2.5285 1.6128 0.6209 C 0 0 0
- 4.0311 -1.5672 0.3993 C 0 0 1
- 1.5796 -1.7998 0.0233 C 0 0 0
- 4.9676 -0.4031 -0.0096 C 0 0 0
- 4.4109 1.0136 -1.9368 O 0 0 0
- 2.5830 2.8696 -0.2088 C 0 0 0
- 4.4516 -2.0971 1.6581 O 0 0 0
- 0.5774 -2.1539 0.7891 C 0 0 0
- 1.5559 3.6824 -0.2346 C 0 0 0
- -0.4965 -3.0645 0.2517 C 0 0 2
- 0.2194 3.1924 -0.7293 C 0 0 0
- -1.8488 -2.3517 0.3163 C 0 0 0
- -0.5517 -4.3405 1.0941 C 0 0 0
- -0.2001 -3.4017 -1.1049 O 0 0 0
- -0.8973 3.8445 0.0882 C 0 0 0
- -2.9390 -3.2762 -0.2293 C 0 0 0
- -2.2542 3.3470 -0.4141 C 0 0 0
- -4.2913 -2.5635 -0.1646 C 0 0 0
- -3.3542 3.9894 0.3912 C 0 0 0
- -5.3816 -3.4879 -0.7102 C 0 0 0
- -4.6376 3.6993 0.1255 O 0 0 0
- -3.0809 4.7654 1.2761 O 0 0 0
- -6.7339 -2.7752 -0.6456 C 0 0 0
- 1.7257 0.3432 0.0000 H 0 0 0
- 1.7692 -0.4563 0.0000 H 0 0 0
- 1.6661 2.0878 0.0000 H 0 0 0
- 1.7199 1.0510 0.0000 H 0 0 0
- 3.4130 -2.3336 0.0000 H 0 0 0
- 2.0701 -2.6535 0.0000 H 0 0 0
- 5.7170 -1.0417 0.0000 H 0 0 0
- 5.6271 0.3280 0.0000 H 0 0 0
- 3.4784 3.2792 0.0000 H 0 0 0
- 5.0636 -2.8684 0.0000 H 0 0 0
- 0.0869 -1.3002 0.0000 H 0 0 0
- 1.7118 4.6546 0.0000 H 0 0 0
- -0.4581 2.4779 0.0000 H 0 0 0
- 0.7604 2.3697 0.0000 H 0 0 0
- -1.2827 -1.5461 0.0000 H 0 0 0
- -2.5759 -1.6878 0.0000 H 0 0 0
- -1.5354 -4.2979 0.0000 H 0 0 0
- -0.5943 -5.3242 0.0000 H 0 0 0
- 0.4320 -4.3831 0.0000 H 0 0 0
- 0.4499 -4.1412 0.0000 H 0 0 0
- -0.2198 4.5590 0.0000 H 0 0 0
- -1.4383 4.6672 0.0000 H 0 0 0
- -3.5051 -4.0818 0.0000 H 0 0 0
- -2.2119 -3.9401 0.0000 H 0 0 0
- -2.9317 2.6325 0.0000 H 0 0 0
- -1.7132 2.5243 0.0000 H 0 0 0
- -3.7252 -1.7579 0.0000 H 0 0 0
- -5.0184 -1.8996 0.0000 H 0 0 0
- -5.9477 -4.2935 0.0000 H 0 0 0
- -4.6545 -4.1518 0.0000 H 0 0 0
- -5.5980 3.4822 0.0000 H 0 0 0
- -6.2748 -1.9042 0.0000 H 0 0 0
- -7.6049 -2.3161 0.0000 H 0 0 0
- -7.1930 -3.6462 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 22 25 2 0
- 23 26 1 0
- 5 7 1 0
- 1 27 1 0
- 2 28 1 0
- 4 29 1 0
- 4 30 1 0
- 5 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 9 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 16 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 26 58 1 0
- 26 59 1 0
- 26 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-83-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.2752 -0.0178 0.0189 C 0 0 0
- 0.4403 -1.1681 -0.3167 C 0 0 0
- 0.4103 1.1559 0.3336 C 0 0 0
- -1.7530 -0.0413 0.0349 C 0 0 0
- 1.8194 -1.1380 -0.3353 C 0 0 0
- 1.7900 1.1727 0.3112 C 0 0 0
- -2.5311 0.8816 -0.8673 C 0 0 0
- -2.3940 -0.8742 0.8429 C 0 0 0
- 2.4932 0.0292 -0.0222 C 0 0 0
- -0.0435 -2.0615 0.0000 H 0 0 0
- -0.1009 2.0340 0.0000 H 0 0 0
- 2.3370 -2.0123 0.0000 H 0 0 0
- 2.2803 2.0625 0.0000 H 0 0 0
- -1.7543 1.5365 0.0000 H 0 0 0
- -3.1860 1.6584 0.0000 H 0 0 0
- -3.3079 0.2267 0.0000 H 0 0 0
- -3.4011 -0.7401 0.0000 H 0 0 0
- -2.0065 -1.8134 0.0000 H 0 0 0
- 3.5091 0.0433 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-623-30-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.8175 -0.3449 -0.0021 C 0 0 0
- -1.9522 -1.1340 -0.0007 C 0 0 0
- -1.2136 0.9455 -0.0009 O 0 0 0
- 0.5173 -0.8060 0.0007 C 0 0 0
- -3.0465 -0.2583 0.0015 C 0 0 0
- -2.5522 1.0009 0.0013 C 0 0 0
- 1.5466 0.0869 -0.0012 C 0 0 0
- 2.8720 -0.3710 0.0017 C 0 0 0
- 3.7902 0.4255 -0.0001 O 0 0 0
- -1.9866 -2.1554 0.0000 H 0 0 0
- 0.7113 -1.8094 0.0000 H 0 0 0
- -4.0339 -0.5219 0.0000 H 0 0 0
- -3.1103 1.8570 0.0000 H 0 0 0
- 1.3526 1.0903 0.0000 H 0 0 0
- 3.0660 -1.3744 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 7 8 1 0
- 8 9 2 0
- 5 6 2 0
- 2 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4485-12-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 55 1 V2000
- 1.2206 -0.3546 -0.2155 C 0 0 0
- -0.0346 0.1503 0.4989 C 0 0 0
- 2.4617 0.0745 0.5697 C 0 0 0
- -1.2757 -0.2788 -0.2863 C 0 0 0
- 3.7169 -0.4303 -0.1447 C 0 0 0
- -2.5309 0.2261 0.4281 C 0 0 0
- 4.9580 -0.0012 0.6406 C 0 0 0
- -3.7720 -0.2030 -0.3571 C 0 0 0
- 6.2132 -0.5061 -0.0738 C 0 0 0
- -5.0272 0.3019 0.3573 C 0 0 0
- 7.4543 -0.0770 0.7114 C 0 0 0
- -6.2683 -0.1272 -0.4279 C 0 0 0
- 8.6907 -0.5743 0.0077 C 0 0 0
- -7.5235 0.3777 0.2864 C 0 0 0
- 9.7968 -0.3374 0.4737 O 0 0 0
- 8.5883 -1.2150 -1.0296 O 0 0 0
- -8.7646 -0.0514 -0.4988 C 0 0 0
- -10.0198 0.4535 0.2156 C 0 0 0
- -11.2609 0.0244 -0.5696 C 0 0 0
- -12.5162 0.5292 0.1448 C 0 0 0
- 16.9339 4.3862 -0.9454 Li 0 3 0
- 0.6109 -1.1280 0.0000 H 0 0 0
- 1.7913 -1.1573 0.0000 H 0 0 0
- 0.5751 0.9237 0.0000 H 0 0 0
- -0.6053 0.9530 0.0000 H 0 0 0
- 3.0714 0.8480 0.0000 H 0 0 0
- 1.8910 0.8772 0.0000 H 0 0 0
- -1.8854 -1.0522 0.0000 H 0 0 0
- -0.7050 -1.0815 0.0000 H 0 0 0
- 3.1072 -1.2038 0.0000 H 0 0 0
- 4.2876 -1.2330 0.0000 H 0 0 0
- -1.9212 0.9995 0.0000 H 0 0 0
- -3.1016 1.0288 0.0000 H 0 0 0
- 5.5677 0.7722 0.0000 H 0 0 0
- 4.3873 0.8015 0.0000 H 0 0 0
- -4.3817 -0.9764 0.0000 H 0 0 0
- -3.2013 -1.0057 0.0000 H 0 0 0
- 5.6035 -1.2795 0.0000 H 0 0 0
- 6.7839 -1.3088 0.0000 H 0 0 0
- -4.4175 1.0753 0.0000 H 0 0 0
- -5.5979 1.1046 0.0000 H 0 0 0
- 8.0640 0.6965 0.0000 H 0 0 0
- 6.8836 0.7257 0.0000 H 0 0 0
- -6.8780 -0.9006 0.0000 H 0 0 0
- -5.6976 -0.9299 0.0000 H 0 0 0
- -6.9138 1.1511 0.0000 H 0 0 0
- -8.0942 1.1804 0.0000 H 0 0 0
- -9.3743 -0.8248 0.0000 H 0 0 0
- -8.1939 -0.8541 0.0000 H 0 0 0
- -9.4101 1.2269 0.0000 H 0 0 0
- -10.5905 1.2562 0.0000 H 0 0 0
- -11.8706 -0.7491 0.0000 H 0 0 0
- -10.6902 -0.7783 0.0000 H 0 0 0
- -12.1487 1.4430 0.0000 H 0 0 0
- -13.4300 0.8967 0.0000 H 0 0 0
- -12.8837 -0.3846 0.0000 H 0 0 0
- 8.4329 -2.1875 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 1 22 1 0
- 1 23 1 0
- 2 24 1 0
- 2 25 1 0
- 3 26 1 0
- 3 27 1 0
- 4 28 1 0
- 4 29 1 0
- 5 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 10 41 1 0
- 11 42 1 0
- 11 43 1 0
- 12 44 1 0
- 12 45 1 0
- 14 46 1 0
- 14 47 1 0
- 17 48 1 0
- 17 49 1 0
- 18 50 1 0
- 18 51 1 0
- 19 52 1 0
- 19 53 1 0
- 20 54 1 0
- 20 55 1 0
- 20 56 1 0
- 16 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-133561-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.3352 -0.6377 -0.0715 C 0 0 0
- -0.1431 -0.5212 -0.0808 C 0 0 0
- 2.1265 0.5063 -0.1702 C 0 0 0
- 1.9360 -1.8905 0.0419 C 0 0 0
- -0.8257 -0.1383 1.0797 C 0 0 0
- -0.8585 -0.7865 -1.2460 C 0 0 0
- 3.5004 0.3956 -0.1608 C 0 0 0
- 1.4915 1.8384 -0.2855 N 0 3 0
- 3.3107 -1.9965 0.0508 C 0 0 0
- -2.2090 -0.0322 1.0608 C 0 0 0
- -0.1181 0.1349 2.2508 N 0 0 0
- -2.2344 -0.6767 -1.2498 C 0 0 0
- 4.0974 -0.8554 -0.0530 C 0 0 0
- 2.1823 2.8407 -0.3283 O 0 0 0
- 0.2782 1.9323 -0.3375 O 0 5 0
- -2.9078 -0.3036 -0.0997 C 0 0 0
- 5.4893 -0.9651 -0.0441 N 0 0 0
- -4.3836 -0.1889 -0.1146 N 0 3 0
- -5.0026 -0.4275 -1.1361 O 0 0 0
- -4.9788 0.1441 0.8945 O 0 5 0
- 1.3519 -2.7438 0.0000 H 0 0 0
- -0.7165 -1.8108 0.0000 H 0 0 0
- 4.0868 1.2473 0.0000 H 0 0 0
- 3.7559 -2.9298 0.0000 H 0 0 0
- -2.3604 0.9907 0.0000 H 0 0 0
- 0.6868 -0.5143 0.0000 H 0 0 0
- 0.0417 1.1566 0.0000 H 0 0 0
- -2.5329 -1.6668 0.0000 H 0 0 0
- 5.9344 -1.8985 0.0000 H 0 0 0
- 6.0751 -0.1129 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 13 17 1 0
- 16 18 1 0
- 18 19 2 0
- 18 20 1 0
- 9 13 2 0
- 12 16 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-475-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 34 1 V2000
- -0.3331 0.3199 0.0227 C 0 0 0
- -0.2102 -1.0833 0.0087 C 0 0 0
- 0.8713 1.1682 0.0181 C 0 0 0
- -1.6035 0.8938 0.0466 C 0 0 0
- 1.0509 -1.7154 -0.0126 C 0 0 0
- -1.3780 -1.8887 0.0166 C 0 0 0
- 2.1497 0.5752 -0.0031 C 0 0 0
- 0.7589 2.5581 0.0351 C 0 0 0
- -2.7500 0.0815 0.0588 C 0 0 0
- -1.9974 2.1973 0.0612 O 0 0 0
- 2.2757 -0.8907 -0.0204 C 0 0 0
- 1.1274 -3.0374 -0.0249 N 0 0 0
- -2.6442 -1.2803 0.0368 C 0 0 0
- -1.2194 -3.2830 0.0033 C 0 0 0
- 3.2881 1.3849 -0.0075 C 0 0 0
- 1.8949 3.3394 0.0307 C 0 0 0
- -3.8500 0.8911 0.0815 O 0 0 0
- -3.3815 2.1874 -0.3331 C 0 0 0
- 3.3736 -1.4159 -0.0402 O 0 0 0
- 0.0577 -3.8078 -0.0176 C 0 0 0
- 3.1531 2.7559 0.0094 C 0 0 0
- -0.1853 3.0070 0.0000 H 0 0 0
- -3.5070 -1.8708 0.0000 H 0 0 0
- -2.0536 -3.9133 0.0000 H 0 0 0
- 4.2397 0.9517 0.0000 H 0 0 0
- 1.8071 4.3812 0.0000 H 0 0 0
- -3.2659 3.2265 0.0000 H 0 0 0
- -4.3998 2.4246 0.0000 H 0 0 0
- 0.1799 -4.8461 0.0000 H 0 0 0
- 4.0056 3.3611 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 12 20 1 0
- 15 21 1 0
- 7 11 1 0
- 9 13 1 0
- 14 20 2 0
- 16 21 2 0
- 17 18 1 0
- 8 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 18 27 1 0
- 18 28 1 0
- 20 29 1 0
- 21 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42583-46-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 41 1 V2000
- -1.2693 0.2215 0.2888 C 0 0 0
- -2.3988 1.2204 0.4586 C 0 0 1
- 0.0853 0.3916 0.0884 C 0 0 0
- -1.8319 -1.0486 0.3529 C 0 0 0
- -2.9277 1.5912 -0.9432 C 0 0 0
- -3.5283 0.3176 1.0341 C 0 0 2
- 0.9166 -0.7538 0.0088 C 0 0 0
- 0.6035 1.6356 -0.0622 O 0 0 0
- -3.1790 -0.9799 0.5304 O 0 0 0
- -1.0133 -2.1757 0.2319 C 0 0 0
- -4.4300 1.2674 -0.8993 C 0 0 0
- -3.4812 0.4154 -1.5408 O 0 0 0
- -4.7334 0.7650 0.4038 O 0 0 0
- 2.3043 -0.5510 -0.1033 C 0 0 0
- 0.3479 -2.0376 0.0584 C 0 0 0
- 1.9080 1.8753 0.2418 C 0 0 0
- 2.8270 0.7454 -0.0051 C 0 0 0
- 3.4162 -1.5252 -0.3272 C 0 0 0
- 1.1339 -3.1359 -0.0641 O 0 0 0
- 2.2898 2.9425 0.6844 O 0 0 0
- 4.2637 0.7428 -0.1637 C 0 0 0
- 4.7091 -0.6897 -0.3730 C 0 0 0
- 0.2724 -4.2724 0.0263 C 0 0 0
- 4.9865 1.7174 -0.1342 O 0 0 0
- -1.7536 2.0385 0.0000 H 0 0 0
- -2.7211 2.6124 0.0000 H 0 0 0
- -4.2983 -0.3842 0.0000 H 0 0 0
- -1.4389 -3.1267 0.0000 H 0 0 0
- -5.0353 2.1154 0.0000 H 0 0 0
- 2.6602 -2.2420 0.0000 H 0 0 0
- 4.0601 -2.3442 0.0000 H 0 0 0
- 5.1929 -1.6124 0.0000 H 0 0 0
- 5.6718 -0.2915 0.0000 H 0 0 0
- -0.5579 -3.6430 0.0000 H 0 0 0
- -0.3570 -5.1027 0.0000 H 0 0 0
- 1.1027 -4.9018 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 14 17 2 0
- 14 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 21 24 2 0
- 6 9 1 0
- 10 15 1 0
- 11 12 1 0
- 11 13 1 0
- 16 17 1 0
- 21 22 1 0
- 2 25 1 0
- 5 26 1 0
- 6 27 1 0
- 10 28 1 0
- 11 29 1 0
- 18 30 1 0
- 18 31 1 0
- 22 32 1 0
- 22 33 1 0
- 23 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-143-27-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- -0.0934 -0.4141 -0.0045 C 0 0 0
- -1.3430 0.4687 0.0051 C 0 0 0
- 1.1555 0.4697 0.0051 C 0 0 0
- -2.5919 -0.4151 -0.0045 C 0 0 0
- 2.4051 -0.4131 -0.0045 C 0 0 0
- -3.8414 0.4678 0.0051 C 0 0 0
- 3.6539 0.4707 0.0051 C 0 0 0
- -5.0903 -0.4160 -0.0045 C 0 0 0
- 4.9035 -0.4121 -0.0045 C 0 0 0
- -6.3399 0.4668 0.0051 C 0 0 0
- 6.1524 0.4717 0.0051 C 0 0 0
- -7.5888 -0.4170 -0.0045 C 0 0 0
- 7.4020 -0.4111 -0.0045 C 0 0 0
- -8.8384 0.4658 0.0051 C 0 0 0
- 8.6509 0.4727 0.0052 C 0 0 0
- -10.0872 -0.4180 -0.0046 C 0 0 0
- 9.8506 -0.3749 -0.0041 N 0 0 0
- -0.8572 -1.2704 0.0000 H 0 0 0
- 0.6711 -1.2698 0.0000 H 0 0 0
- -0.5792 1.3250 0.0000 H 0 0 0
- -2.1075 1.3244 0.0000 H 0 0 0
- 1.9193 1.3260 0.0000 H 0 0 0
- 0.3910 1.3254 0.0000 H 0 0 0
- -3.3558 -1.2714 0.0000 H 0 0 0
- -1.8274 -1.2709 0.0000 H 0 0 0
- 1.6413 -1.2694 0.0000 H 0 0 0
- 3.1696 -1.2688 0.0000 H 0 0 0
- -3.0775 1.3241 0.0000 H 0 0 0
- -4.6059 1.3236 0.0000 H 0 0 0
- 4.4177 1.3270 0.0000 H 0 0 0
- 2.8894 1.3264 0.0000 H 0 0 0
- -5.8541 -1.2723 0.0000 H 0 0 0
- -4.3258 -1.2717 0.0000 H 0 0 0
- 4.1397 -1.2684 0.0000 H 0 0 0
- 5.6680 -1.2678 0.0000 H 0 0 0
- -5.5761 1.3231 0.0000 H 0 0 0
- -7.1044 1.3225 0.0000 H 0 0 0
- 6.9162 1.3280 0.0000 H 0 0 0
- 5.3879 1.3274 0.0000 H 0 0 0
- -8.3526 -1.2733 0.0000 H 0 0 0
- -6.8243 -1.2727 0.0000 H 0 0 0
- 6.6382 -1.2674 0.0000 H 0 0 0
- 8.1665 -1.2668 0.0000 H 0 0 0
- -8.0746 1.3221 0.0000 H 0 0 0
- -9.6029 1.3215 0.0000 H 0 0 0
- 9.4147 1.3290 0.0000 H 0 0 0
- 7.8864 1.3284 0.0000 H 0 0 0
- -10.7501 0.5186 0.0000 H 0 0 0
- -11.0238 -1.0809 0.0000 H 0 0 0
- -9.4243 -1.3546 0.0000 H 0 0 0
- 9.7458 -1.5176 0.0000 H 0 0 0
- 10.8926 0.1057 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 1 18 1 0
- 1 19 1 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 10 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 15 46 1 0
- 15 47 1 0
- 16 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-34-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 1.1498 -0.7552 -0.0034 C 0 0 0
- 0.0001 -1.4209 -0.0025 N 0 0 0
- 1.1465 0.5757 -0.0026 N 0 0 0
- 2.3462 -1.4429 0.0005 N 0 0 0
- -1.1499 -0.7551 -0.0007 C 0 0 0
- 0.0001 1.2357 -0.0008 C 0 0 0
- 3.6136 -0.7081 -0.0005 C 0 0 0
- -1.1466 0.5756 0.0001 N 0 0 0
- -2.3463 -1.4428 -0.0002 N 0 0 0
- 0.0001 2.9717 0.0009 Cl 0 0 0
- 4.7783 -1.7001 0.0045 C 0 0 0
- -3.6136 -0.7080 0.0017 C 0 0 0
- -4.7784 -1.7001 0.0019 C 0 0 0
- 2.3481 -2.4779 0.0000 H 0 0 0
- 4.3695 -0.0011 0.0000 H 0 0 0
- 2.9966 0.1228 0.0000 H 0 0 0
- -2.3482 -2.4778 0.0000 H 0 0 0
- 4.1072 -2.4880 0.0000 H 0 0 0
- 5.5662 -2.3712 0.0000 H 0 0 0
- 5.4494 -0.9122 0.0000 H 0 0 0
- -2.9966 0.1229 0.0000 H 0 0 0
- -4.3695 -0.0010 0.0000 H 0 0 0
- -5.4495 -0.9122 0.0000 H 0 0 0
- -5.5663 -2.3712 0.0000 H 0 0 0
- -4.1073 -2.4880 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 12 13 1 0
- 6 8 1 0
- 4 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-152-18-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.0051 -0.0763 -0.1069 P 0 0 0
- -1.3336 -0.2073 -1.0069 O 0 0 0
- -0.0998 -1.0898 1.1405 O 0 0 0
- 1.2850 -0.4413 -0.9983 O 0 0 0
- 0.1490 1.6709 0.5226 S 0 0 0
- -2.3872 0.4322 -0.2836 C 0 0 0
- -0.2286 -2.4045 0.5956 C 0 0 0
- 2.4289 0.0243 -0.2793 C 0 0 0
- -1.8731 1.2791 0.0000 H 0 0 0
- -3.2341 0.9463 0.0000 H 0 0 0
- -2.9013 -0.4147 0.0000 H 0 0 0
- -1.2146 -2.3079 0.0000 H 0 0 0
- -0.3252 -3.3905 0.0000 H 0 0 0
- 0.7574 -2.5011 0.0000 H 0 0 0
- 2.8024 -0.8933 0.0000 H 0 0 0
- 3.3465 0.3978 0.0000 H 0 0 0
- 2.0554 0.9419 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-608-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.0002 -0.9411 -0.0019 C 0 0 0
- -1.1987 -0.2487 -0.0010 C 0 0 0
- 1.1986 -0.2488 -0.0014 C 0 0 0
- 0.0002 -2.6771 0.0036 Cl 0 0 0
- -1.1982 1.1356 0.0004 C 0 0 0
- -2.7023 -1.1163 -0.0023 Cl 0 0 0
- 1.1980 1.1359 0.0000 C 0 0 0
- 2.7023 -1.1162 -0.0019 Cl 0 0 0
- 0.0001 1.8271 0.0009 C 0 0 0
- -2.7014 2.0040 0.0009 Cl 0 0 0
- 2.7011 2.0044 0.0007 Cl 0 0 0
- 0.0001 2.8656 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 7 9 2 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2646-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 2.1150 -0.4473 -0.0538 C 0 0 0
- 0.9835 0.4397 -0.3227 C 0 0 0
- 3.3993 0.1189 0.1331 C 0 0 0
- 1.9518 -1.8347 0.0272 C 0 0 0
- -0.2650 -0.0636 -0.5076 N 0 0 0
- 1.2151 1.8166 -0.3849 C 0 0 0
- 3.5603 1.5141 0.0574 C 0 0 0
- 4.4907 -0.7275 0.3918 C 0 0 0
- 3.0325 -2.6270 0.2802 C 0 0 0
- -1.2648 0.4398 0.1335 N 0 0 0
- 2.4989 2.3251 -0.1937 C 0 0 0
- 0.1845 2.6632 -0.6331 O 0 0 0
- 4.2979 -2.0741 0.4586 C 0 0 0
- -2.5020 -0.1307 0.0269 C 0 0 0
- -3.6102 0.4787 0.6225 C 0 0 0
- -2.6666 -1.3232 -0.6831 C 0 0 0
- -4.8554 -0.1029 0.5106 C 0 0 0
- -3.4443 1.7677 1.3853 C 0 0 0
- -3.9183 -1.8931 -0.7864 C 0 0 0
- -5.0096 -1.2871 -0.1893 C 0 0 0
- 1.0156 -2.2422 0.0000 H 0 0 0
- 4.5000 1.9133 0.0000 H 0 0 0
- 5.4372 -0.3445 0.0000 H 0 0 0
- 2.9201 -3.6418 0.0000 H 0 0 0
- 2.6390 3.3365 0.0000 H 0 0 0
- -0.6045 3.3113 0.0000 H 0 0 0
- 5.1104 -2.6924 0.0000 H 0 0 0
- -1.8479 -1.9332 0.0000 H 0 0 0
- -5.6794 0.5000 0.0000 H 0 0 0
- -2.4316 1.6374 0.0000 H 0 0 0
- -3.3140 2.7804 0.0000 H 0 0 0
- -4.4570 1.8980 0.0000 H 0 0 0
- -3.9590 -2.9133 0.0000 H 0 0 0
- -5.9212 -1.7470 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 7 11 1 0
- 9 13 1 0
- 19 20 2 0
- 4 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-89-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -2.3021 -0.0107 0.0037 C 0 0 0
- -1.8047 -1.3026 0.0032 C 0 0 0
- -1.4389 1.0708 0.0032 C 0 0 0
- -3.7650 0.2149 -0.0013 N 0 3 0
- -0.4435 -1.5210 0.0021 C 0 0 0
- -0.0747 0.8689 0.0021 C 0 0 0
- -4.2061 1.3502 -0.0009 O 0 0 0
- -4.5276 -0.7348 -0.0060 O 0 5 0
- 0.4356 -0.4330 0.0016 C 0 0 0
- 1.8902 -0.6574 0.0005 C 0 0 0
- 2.7350 0.3945 0.0000 C 0 0 0
- 4.1802 0.1716 -0.0012 C 0 0 0
- 5.0250 1.2235 -0.0017 O 0 0 0
- 4.6207 -0.9620 -0.0017 O 0 0 0
- -2.4571 -2.1074 0.0000 H 0 0 0
- -1.8185 2.0348 0.0000 H 0 0 0
- -0.0727 -2.4884 0.0000 H 0 0 0
- 0.5704 1.6796 0.0000 H 0 0 0
- 2.2654 -1.6231 0.0000 H 0 0 0
- 2.3598 1.3602 0.0000 H 0 0 0
- 5.6738 2.0313 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 9 2 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-627-05-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.1241 -0.5059 -0.5881 C 0 0 0
- -1.4002 -0.0143 -0.0626 N 0 3 0
- 1.0280 0.1343 0.1889 C 0 0 0
- -1.6521 1.1770 -0.0912 O 0 0 0
- -2.2091 -0.7969 0.4028 O 0 5 0
- 2.3607 -0.3791 -0.3599 C 0 0 0
- 3.5128 0.2611 0.4171 C 0 0 0
- -0.6820 -1.3219 0.0000 H 0 0 0
- 0.5418 -1.2365 0.0000 H 0 0 0
- 1.5859 0.9503 0.0000 H 0 0 0
- 0.3621 0.8649 0.0000 H 0 0 0
- 1.8028 -1.1951 0.0000 H 0 0 0
- 3.0266 -1.1097 0.0000 H 0 0 0
- 3.9929 -0.6030 0.0000 H 0 0 0
- 4.3769 0.7412 0.0000 H 0 0 0
- 3.0326 1.1252 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 6 7 1 0
- 1 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14953-62-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.4052 -0.8891 0.0847 C 0 0 0
- -1.0044 -0.4410 0.0801 C 0 0 0
- 1.5096 -0.1039 -0.0380 C 0 0 0
- 0.8581 -2.1820 0.2199 N 0 0 0
- -1.9477 -1.1040 -0.7055 C 0 0 0
- -1.3976 0.6431 0.8661 C 0 0 0
- 2.5858 -0.8970 0.0164 N 0 0 0
- 1.5188 1.3673 -0.2026 N 0 3 0
- 2.2071 -2.1373 0.1700 C 0 0 0
- -3.2611 -0.6809 -0.7053 C 0 0 0
- -2.7137 1.0561 0.8573 C 0 0 0
- 2.4987 2.0109 0.1275 O 0 0 0
- 0.5464 1.9342 -0.6682 O 0 5 0
- -3.6433 0.3980 0.0716 C 0 0 0
- 0.2917 -3.0093 0.0000 H 0 0 0
- -1.7974 -2.0953 0.0000 H 0 0 0
- -0.7043 1.3675 0.0000 H 0 0 0
- 2.8169 -2.9332 0.0000 H 0 0 0
- -3.9598 -1.4000 0.0000 H 0 0 0
- -2.8695 2.0466 0.0000 H 0 0 0
- -4.5990 0.7011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 7 9 2 0
- 11 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-61-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.5099 -0.2743 0.0023 C 0 0 0
- 0.4334 -1.2937 0.0012 C 0 0 0
- -0.0952 1.0517 0.0015 C 0 0 0
- -1.8724 -0.5815 -0.0017 N 0 0 0
- 1.7801 -0.9864 -0.0006 C 0 0 0
- 1.2526 1.3519 -0.0003 C 0 0 0
- -2.8661 0.4950 -0.0006 C 0 0 0
- 2.1893 0.3343 -0.0014 C 0 0 0
- 0.1263 -2.2868 0.0000 H 0 0 0
- -0.7987 1.8169 0.0000 H 0 0 0
- -2.1814 -1.5740 0.0000 H 0 0 0
- 2.4866 -1.7489 0.0000 H 0 0 0
- 1.5636 2.3438 0.0000 H 0 0 0
- -2.1023 1.2001 0.0000 H 0 0 0
- -3.5712 1.2588 0.0000 H 0 0 0
- -3.6299 -0.2101 0.0000 H 0 0 0
- 3.2033 0.5630 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3778-73-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.3952 0.7377 -0.3671 N 0 0 0
- -0.1699 0.5629 0.2163 P 0 0 1
- 1.9196 2.0007 0.1626 C 0 0 0
- 2.1934 -0.3374 0.2370 C 0 0 0
- -0.8024 1.7408 -0.6726 O 0 0 0
- -0.8241 -0.9400 -0.1657 N 0 0 0
- -0.2594 0.8492 1.6655 O 0 0 0
- 1.1313 3.1709 -0.4294 C 0 0 0
- 3.3232 -0.7313 -0.7167 C 0 0 0
- -0.3564 2.9804 -0.1291 C 0 0 0
- -2.1813 -0.9646 0.3958 C 0 0 0
- 4.3029 -2.0508 0.0248 Cl 0 0 0
- -3.1954 -1.1747 -0.7305 C 0 0 0
- -4.8612 -1.2050 -0.0413 Cl 0 0 0
- 2.7696 1.4336 0.0000 H 0 0 0
- 2.6406 2.7249 0.0000 H 0 0 0
- 1.2215 -0.6530 0.0000 H 0 0 0
- 2.1824 -1.3592 0.0000 H 0 0 0
- -0.2563 -1.7896 0.0000 H 0 0 0
- 2.0568 3.6040 0.0000 H 0 0 0
- 0.8464 4.1523 0.0000 H 0 0 0
- 4.2951 -0.4157 0.0000 H 0 0 0
- 3.3342 0.2905 0.0000 H 0 0 0
- -0.3255 4.0018 0.0000 H 0 0 0
- -1.3603 3.1712 0.0000 H 0 0 0
- -1.7429 -0.0416 0.0000 H 0 0 0
- -2.8125 -0.1610 0.0000 H 0 0 0
- -3.6338 -2.0978 0.0000 H 0 0 0
- -2.5642 -1.9783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 8 10 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28361-96-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 2.2491 -0.4161 -0.3321 C 0 0 1
- 0.9284 0.2756 0.0116 C 0 0 0
- 3.3995 0.4785 0.0521 C 0 0 0
- 2.3455 -1.6821 0.4067 N 0 0 0
- -0.4563 -0.8012 -0.4508 S 0 0 0
- 3.8895 1.3595 -0.8341 O 0 0 0
- 3.8807 0.4026 1.1578 O 0 0 0
- -1.8503 0.2434 0.0555 C 0 0 0
- -3.1648 -0.4789 -0.2466 C 0 0 0
- -4.5504 0.5593 0.2566 Cl 0 0 0
- 3.2715 -0.8689 0.0000 H 0 0 0
- 1.5826 1.1824 0.0000 H 0 0 0
- 0.1236 1.0519 0.0000 H 0 0 0
- 1.4224 -2.3131 0.0000 H 0 0 0
- 3.3535 -2.1660 0.0000 H 0 0 0
- 4.4330 2.3367 0.0000 H 0 0 0
- -1.0601 1.0345 0.0000 H 0 0 0
- -2.5218 1.1375 0.0000 H 0 0 0
- -3.9550 -1.2700 0.0000 H 0 0 0
- -2.4933 -1.3729 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-9003-01-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.3783 -0.0130 -0.0013 C 0 0 0
- -0.8975 0.7162 0.0010 C 0 0 0
- 1.5427 0.6661 0.0001 O 0 0 0
- 0.3836 -1.2283 0.0005 O 0 0 0
- -2.0471 0.0457 -0.0004 C 0 0 0
- -0.9019 1.7207 0.0000 H 0 0 0
- 2.4105 1.1722 0.0000 H 0 0 0
- -2.9193 0.5441 0.0000 H 0 0 0
- -2.0427 -0.9588 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106636-49-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.4353 0.3946 0.0340 C 0 0 0
- -1.2247 -0.6988 -0.0514 C 0 0 0
- 1.0481 0.4023 0.0327 C 0 0 0
- -1.2382 1.4832 0.1150 N 0 0 0
- -2.5497 -0.2643 -0.0160 N 0 0 0
- -0.7654 -2.1063 -0.1627 N 0 3 0
- 1.7417 1.3912 -0.6631 C 0 0 0
- 1.7529 -0.5757 0.7319 C 0 0 0
- -2.4845 1.0891 0.0818 C 0 0 0
- -3.8646 -0.9004 -0.0649 C 0 0 0
- -0.5780 -2.6008 -1.2599 O 0 0 0
- -0.5760 -2.7664 0.8432 O 0 5 0
- 3.1214 1.3943 -0.6607 C 0 0 0
- 3.1330 -0.5638 0.7280 C 0 0 0
- -4.1595 1.6835 0.1229 S 0 0 0
- -5.0432 0.0827 0.0137 C 0 0 0
- 3.8170 0.4173 0.0312 C 0 0 0
- 5.5530 0.4264 0.0298 Cl 0 0 0
- 1.2675 2.3005 0.0000 H 0 0 0
- 1.2895 -1.4905 0.0000 H 0 0 0
- -4.6261 -1.5873 0.0000 H 0 0 0
- -3.2921 -1.7512 0.0000 H 0 0 0
- 3.5903 2.3063 0.0000 H 0 0 0
- 3.6114 -1.4709 0.0000 H 0 0 0
- -5.9077 0.6344 0.0000 H 0 0 0
- -5.6487 -0.7450 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 17 18 1 0
- 5 9 1 0
- 14 17 2 0
- 15 16 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98046-72-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.0063 -0.7178 -0.0004 C 0 0 0
- -1.3733 -0.7913 -0.0004 N 0 0 0
- 0.3253 0.6538 0.0004 C 0 0 0
- 0.9657 -1.6298 0.0039 N 0 0 0
- -1.8514 0.4954 0.0003 C 0 0 0
- -2.2351 -1.8499 -0.0013 C 0 0 0
- -0.8315 1.3412 0.0007 N 0 0 0
- 1.6735 1.0373 0.0001 C 0 0 0
- 2.2384 -1.2957 0.0027 C 0 0 0
- -3.2460 0.7170 0.0001 C 0 0 0
- -3.5699 -1.6517 -0.0016 C 0 0 0
- 2.6363 0.0401 -0.0008 C 0 0 0
- 2.0652 2.4925 0.0004 C 0 0 0
- -4.0917 -0.3473 -0.0009 C 0 0 0
- -3.7921 2.1215 0.0003 C 0 0 0
- 3.9954 0.3715 -0.0012 N 0 0 0
- 4.9737 -0.6522 -0.0021 O 0 0 0
- -1.8591 -2.8191 0.0000 H 0 0 0
- 2.9614 -2.0428 0.0000 H 0 0 0
- -4.2145 -2.4673 0.0000 H 0 0 0
- 3.0691 2.2223 0.0000 H 0 0 0
- 2.3354 3.4964 0.0000 H 0 0 0
- 1.0613 2.7627 0.0000 H 0 0 0
- -5.1203 -0.1966 0.0000 H 0 0 0
- -2.8232 2.4982 0.0000 H 0 0 0
- -4.1688 3.0904 0.0000 H 0 0 0
- -4.7610 1.7448 0.0000 H 0 0 0
- 4.2871 1.3693 0.0000 H 0 0 0
- 5.6920 -1.4038 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 16 17 1 0
- 5 7 2 0
- 9 12 1 0
- 11 14 1 0
- 6 18 1 0
- 9 19 1 0
- 11 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-30-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 57 1 V2000
- -0.0948 -0.4664 -0.0051 C 0 0 0
- -1.3437 0.4174 0.0046 C 0 0 0
- 1.1547 0.4165 0.0045 C 0 0 0
- -2.5933 -0.4655 -0.0051 C 0 0 0
- 2.4037 -0.4672 -0.0051 C 0 0 0
- -3.8422 0.4182 0.0046 C 0 0 0
- 3.6532 0.4157 0.0045 C 0 0 0
- -5.0917 -0.4647 -0.0051 C 0 0 0
- 4.9021 -0.4680 -0.0051 C 0 0 0
- -6.3407 0.4190 0.0046 C 0 0 0
- 6.1516 0.4149 0.0045 C 0 0 0
- -7.5902 -0.4639 -0.0051 C 0 0 0
- 7.4006 -0.4688 -0.0051 C 0 0 0
- -8.8391 0.4198 0.0046 C 0 0 0
- 8.6501 0.4141 0.0045 C 0 0 0
- -10.0886 -0.4631 -0.0051 C 0 0 0
- 9.8990 -0.4696 -0.0051 C 0 0 0
- -11.3376 0.4206 0.0046 C 0 0 0
- 11.0987 0.3781 0.0041 N 0 0 0
- -0.8593 -1.3221 0.0000 H 0 0 0
- 0.6691 -1.3227 0.0000 H 0 0 0
- -0.5792 1.2731 0.0000 H 0 0 0
- -2.1075 1.2737 0.0000 H 0 0 0
- 1.9191 1.2723 0.0000 H 0 0 0
- 0.3908 1.2728 0.0000 H 0 0 0
- -3.3577 -1.3213 0.0000 H 0 0 0
- -1.8295 -1.3218 0.0000 H 0 0 0
- 1.6393 -1.3230 0.0000 H 0 0 0
- 3.1676 -1.3235 0.0000 H 0 0 0
- -3.0778 1.2740 0.0000 H 0 0 0
- -4.6061 1.2745 0.0000 H 0 0 0
- 4.4176 1.2715 0.0000 H 0 0 0
- 2.8893 1.2720 0.0000 H 0 0 0
- -5.8561 -1.3205 0.0000 H 0 0 0
- -4.3278 -1.3210 0.0000 H 0 0 0
- 4.1377 -1.3238 0.0000 H 0 0 0
- 5.6660 -1.3243 0.0000 H 0 0 0
- -5.5763 1.2748 0.0000 H 0 0 0
- -7.1046 1.2753 0.0000 H 0 0 0
- 6.9160 1.2707 0.0000 H 0 0 0
- 5.3877 1.2712 0.0000 H 0 0 0
- -8.3546 -1.3197 0.0000 H 0 0 0
- -6.8263 -1.3202 0.0000 H 0 0 0
- 6.6362 -1.3246 0.0000 H 0 0 0
- 8.1645 -1.3251 0.0000 H 0 0 0
- -8.0747 1.2756 0.0000 H 0 0 0
- -9.6030 1.2761 0.0000 H 0 0 0
- 9.4145 1.2699 0.0000 H 0 0 0
- 7.8862 1.2704 0.0000 H 0 0 0
- -10.8530 -1.3189 0.0000 H 0 0 0
- -9.3247 -1.3194 0.0000 H 0 0 0
- 9.1346 -1.3254 0.0000 H 0 0 0
- 10.6629 -1.3259 0.0000 H 0 0 0
- -10.6748 1.3573 0.0000 H 0 0 0
- -12.2743 1.0834 0.0000 H 0 0 0
- -12.0004 -0.5161 0.0000 H 0 0 0
- 12.1407 -0.1024 0.0000 H 0 0 0
- 10.9938 1.5208 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 1 20 1 0
- 1 21 1 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 18 56 1 0
- 19 57 1 0
- 19 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71382-45-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.8748 2.1773 -0.2372 C 0 0 0
- -0.1286 1.0506 -0.1435 C 0 0 0
- 2.3672 1.8167 -0.2347 C 0 0 0
- 1.6723 2.2182 0.9957 N 0 0 0
- 0.3155 -0.2778 -0.0585 C 0 0 0
- -1.4549 1.3483 -0.1429 C 0 0 0
- 2.7462 0.3582 -0.1408 C 0 0 0
- 1.7602 -0.6179 -0.0572 C 0 0 0
- -0.6043 -1.3120 0.0276 C 0 0 0
- -2.4095 0.3204 -0.0561 C 0 0 0
- -1.9029 2.7842 -0.2352 C 0 0 0
- 4.0801 0.0013 -0.1372 C 0 0 0
- 2.1342 -1.9622 0.0297 C 0 0 0
- -1.9769 -1.0271 0.0293 C 0 0 0
- -3.7856 0.6032 -0.0522 C 0 0 0
- 4.4424 -1.3305 -0.0517 C 0 0 0
- 3.4683 -2.3092 0.0333 C 0 0 0
- -2.9345 -2.0536 0.1161 C 0 0 0
- -4.6835 -0.4163 0.0341 C 0 0 0
- -4.2589 -1.7412 0.1156 C 0 0 0
- 0.4229 3.1195 0.0000 H 0 0 0
- 3.1987 2.4496 0.0000 H 0 0 0
- 1.9170 3.2341 0.0000 H 0 0 0
- -0.2760 -2.3041 0.0000 H 0 0 0
- -0.9053 3.0954 0.0000 H 0 0 0
- -2.2141 3.7818 0.0000 H 0 0 0
- -2.9005 2.4730 0.0000 H 0 0 0
- 4.8175 0.7418 0.0000 H 0 0 0
- 1.4015 -2.7073 0.0000 H 0 0 0
- -4.1173 1.5941 0.0000 H 0 0 0
- 5.4526 -1.5978 0.0000 H 0 0 0
- 3.7437 -3.3173 0.0000 H 0 0 0
- -2.6314 -3.0537 0.0000 H 0 0 0
- -5.7064 -0.2026 0.0000 H 0 0 0
- -4.9683 -2.5085 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 18 20 2 0
- 3 4 1 0
- 7 8 2 0
- 10 14 2 0
- 16 17 1 0
- 19 20 1 0
- 1 21 1 0
- 3 22 1 0
- 4 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-471-34-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 5 1 V2000
- -3.9061 0.0000 -0.0307 C 0 0 0
- -4.6798 -0.9895 0.4219 O 0 0 0
- -2.7835 -0.2816 -0.6967 O 0 0 0
- -4.2577 1.2712 0.1778 O 0 0 0
- 5.8495 0.0000 0.0479 Ca 0 2 0
- -1.8698 -0.5108 0.0000 H 0 0 0
- -4.5088 2.1792 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 3 6 1 0
- 4 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10353-99-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 1.0234 0.0883 -0.0015 C 0 0 0
- -0.1518 -0.4423 -0.0185 C 0 0 0
- 1.3189 1.5185 0.0640 C 0 0 0
- 2.2929 -0.6351 -0.0508 C 0 0 0
- -1.3081 0.4660 0.0323 C 0 0 0
- -0.2338 -1.9097 -0.0877 C 0 0 0
- 0.2858 2.3304 0.1090 C 0 0 0
- 2.7840 1.6081 0.0586 C 0 0 0
- 3.3284 0.4041 -0.0056 C 0 0 0
- 2.2198 -1.9460 -0.1188 C 0 0 0
- -1.0805 1.7687 0.0922 C 0 0 0
- -2.5735 -0.0185 0.0187 N 0 3 0
- 0.8950 -2.5999 -0.1285 C 0 0 0
- -3.4074 0.4772 -0.7178 O 0 0 0
- -2.8769 -0.9496 0.7429 O 0 5 0
- -1.1337 -2.3818 0.0000 H 0 0 0
- 0.4256 3.3370 0.0000 H 0 0 0
- 3.3087 2.4784 0.0000 H 0 0 0
- 4.3283 0.2227 0.0000 H 0 0 0
- 3.0676 -2.5063 0.0000 H 0 0 0
- -1.8727 2.4052 0.0000 H 0 0 0
- 0.8491 -3.6151 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 12 14 2 0
- 12 15 1 0
- 7 11 1 0
- 8 9 2 0
- 10 13 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32066-79-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -7.1385 -0.0919 -0.1038 S 0 0 0
- -7.9337 -1.2220 0.5341 O 0 0 0
- -5.9681 -0.6963 -0.6368 O 0 0 0
- -8.0799 0.6722 -0.8449 O 0 0 0
- -6.6597 0.8176 1.0186 O 0 0 0
- 5.8217 0.9147 0.0426 C 0 0 0
- 5.0923 -0.1219 0.6278 C 0 0 0
- 7.0424 0.6381 -0.5767 C 0 0 0
- 5.3446 2.1827 0.0704 N 0 3 0
- 5.5812 -1.4115 0.5908 C 0 0 0
- 7.5194 -0.6557 -0.6064 C 0 0 0
- 4.9808 3.1498 0.0917 N 0 0 0
- 6.7913 -1.6785 -0.0243 C 0 0 0
- 7.3191 -3.0896 -0.0603 C 0 0 0
- -8.4808 -1.9994 0.0000 H 0 0 0
- 4.1491 -0.0030 0.0000 H 0 0 0
- 7.6694 1.3527 0.0000 H 0 0 0
- 4.9595 -2.1307 0.0000 H 0 0 0
- 8.4617 -0.7815 0.0000 H 0 0 0
- 6.4287 -3.4226 0.0000 H 0 0 0
- 7.6521 -3.9800 0.0000 H 0 0 0
- 8.2095 -2.7566 0.0000 H 0 0 0
- -6.2169 1.6588 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 2 0
- 1 5 1 0
- 6 7 2 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 2 0
- 9 12 3 0
- 10 13 2 0
- 13 14 1 0
- 11 13 1 0
- 2 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
- 5 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35231-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.8705 0.2060 0.0013 C 0 0 0
- -1.6454 -0.9686 0.0009 C 0 0 0
- 0.5895 0.0928 0.0010 C 0 0 0
- -1.4962 1.4581 -0.0037 C 0 0 0
- -3.0288 -0.8719 0.0012 C 0 0 0
- -1.0380 -2.1746 -0.0002 O 0 0 0
- 1.1368 -1.1506 0.0003 C 0 0 0
- 1.4612 1.3221 0.0009 C 0 0 0
- -2.8586 1.5352 -0.0091 C 0 0 0
- -3.6313 0.3754 0.0019 C 0 0 0
- 0.2997 -2.2852 -0.0009 C 0 0 0
- 3.3522 0.7845 0.0005 Br 0 0 0
- -4.9856 0.4687 0.0021 O 0 0 0
- 0.8034 -3.3942 -0.0019 O 0 0 0
- -5.3036 1.8619 0.0028 C 0 0 0
- -0.9231 2.3291 0.0000 H 0 0 0
- -3.6135 -1.7352 0.0000 H 0 0 0
- 2.1731 -1.2656 0.0000 H 0 0 0
- 1.8579 2.2864 0.0000 H 0 0 0
- 0.5480 1.8252 0.0000 H 0 0 0
- -3.3245 2.4679 0.0000 H 0 0 0
- -4.2871 2.0939 0.0000 H 0 0 0
- -5.5356 2.8784 0.0000 H 0 0 0
- -6.3201 1.6299 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 7 11 1 0
- 9 10 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 15 22 1 0
- 15 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-90-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.7147 -0.1980 0.2341 C 0 0 0
- -0.7147 0.1982 0.2339 C 0 0 0
- 1.6904 0.7095 -0.1760 C 0 0 0
- 1.0843 -1.4760 0.6497 C 0 0 0
- -1.6903 -0.7094 -0.1762 C 0 0 0
- -1.0844 1.4764 0.6491 C 0 0 0
- 3.0220 0.3371 -0.1747 C 0 0 0
- 2.4139 -1.8447 0.6499 C 0 0 0
- -3.0220 -0.3371 -0.1748 C 0 0 0
- -2.4141 1.8449 0.6494 C 0 0 0
- 3.3863 -0.9442 0.2364 C 0 0 0
- 3.9759 1.2203 -0.5747 O 0 0 0
- -3.3864 0.9441 0.2364 C 0 0 0
- -3.9758 -1.2204 -0.5747 O 0 0 0
- 4.7335 -1.3212 0.2373 N 0 0 0
- 3.2984 2.4272 -0.9301 C 0 0 0
- -4.7337 1.3208 0.2378 N 0 0 0
- -3.2981 -2.4273 -0.9302 C 0 0 0
- 1.4545 1.6806 0.0000 H 0 0 0
- 0.3815 -2.1865 0.0000 H 0 0 0
- -1.4543 -1.6805 0.0000 H 0 0 0
- -0.3817 2.1870 0.0000 H 0 0 0
- 2.6498 -2.8158 0.0000 H 0 0 0
- -2.6501 2.8160 0.0000 H 0 0 0
- 4.9815 -2.2893 0.0000 H 0 0 0
- 5.4479 -0.6224 0.0000 H 0 0 0
- 4.1699 2.9164 0.0000 H 0 0 0
- 2.8092 3.2987 0.0000 H 0 0 0
- 2.4269 1.9380 0.0000 H 0 0 0
- -4.9819 2.2889 0.0000 H 0 0 0
- -5.4480 0.6218 0.0000 H 0 0 0
- -4.1695 -2.9166 0.0000 H 0 0 0
- -2.8088 -3.2987 0.0000 H 0 0 0
- -2.4267 -1.9380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 8 11 1 0
- 10 13 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-30-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- -0.0183 -0.0153 0.0893 P 0 0 0
- 0.0652 -1.5521 -0.3836 O 0 0 0
- 1.2761 0.7809 -0.4424 O 0 0 0
- -1.3493 0.6603 -0.5142 O 0 0 0
- -0.0615 0.0443 1.5674 O 0 0 0
- 1.2818 -2.0169 0.0046 C 0 0 0
- 1.1266 2.0755 -0.0570 C 0 0 0
- -2.4002 -0.0799 -0.0730 C 0 0 0
- 2.2793 -2.2234 -0.9369 C 0 0 0
- 1.5300 -2.2804 1.3440 C 0 0 0
- 0.7989 3.0455 -0.9928 C 0 0 0
- 1.2961 2.4283 1.2742 C 0 0 0
- -3.0692 -0.9256 -0.9455 C 0 0 0
- -2.8022 0.0049 1.2523 C 0 0 0
- 3.5153 -2.6961 -0.5398 C 0 0 0
- 2.0149 -1.9328 -2.3918 C 0 0 0
- 2.7673 -2.7529 1.7360 C 0 0 0
- 0.6475 4.3610 -0.5985 C 0 0 0
- 0.6085 2.6648 -2.4385 C 0 0 0
- 1.1437 3.7448 1.6633 C 0 0 0
- -4.1374 -1.6770 -0.4945 C 0 0 0
- -2.6317 -1.0243 -2.3842 C 0 0 0
- -3.8706 -0.7484 1.6982 C 0 0 0
- 3.7583 -2.9633 0.7947 C 0 0 0
- 0.8225 4.7109 0.7274 C 0 0 0
- -4.5395 -1.5865 0.8250 C 0 0 0
- 1.0926 -2.9336 0.0000 H 0 0 0
- 2.0713 2.2982 0.0000 H 0 0 0
- -2.9608 0.7748 0.0000 H 0 0 0
- 3.9585 -2.0469 0.0000 H 0 0 0
- 2.5963 -1.4038 0.0000 H 0 0 0
- 1.4859 -1.3514 0.0000 H 0 0 0
- 1.4335 -2.4618 0.0000 H 0 0 0
- 2.5448 -3.5068 0.0000 H 0 0 0
- -0.1266 4.4975 0.0000 H 0 0 0
- -0.0945 3.0164 0.0000 H 0 0 0
- 0.2569 1.9618 0.0000 H 0 0 0
- 1.3115 2.3132 0.0000 H 0 0 0
- 1.9111 3.9149 0.0000 H 0 0 0
- -3.9845 -2.4480 0.0000 H 0 0 0
- -2.8047 -1.7911 0.0000 H 0 0 0
- -1.8649 -1.1973 0.0000 H 0 0 0
- -2.4587 -0.2575 0.0000 H 0 0 0
- -4.4097 -0.1763 0.0000 H 0 0 0
- 4.4401 -3.3546 0.0000 H 0 0 0
- 0.8786 5.4950 0.0000 H 0 0 0
- -5.2811 -1.8471 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 13 22 1 0
- 14 23 2 0
- 15 24 2 0
- 18 25 2 0
- 21 26 2 0
- 17 24 1 0
- 20 25 1 0
- 23 26 1 0
- 10 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 24 45 1 0
- 25 46 1 0
- 26 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102791-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- -0.2194 -0.7342 0.0149 C 0 0 0
- -1.5461 -0.1306 0.0228 C 0 0 0
- 0.9159 0.0865 0.0967 C 0 0 0
- -0.1138 -2.1379 -0.0698 C 0 0 0
- -1.6486 1.2773 0.0168 C 0 0 0
- -2.6892 -0.9496 0.0301 C 0 0 0
- 2.1613 -0.5046 0.0119 C 0 0 0
- 0.7616 1.4210 0.2926 O 0 0 0
- 1.1655 -2.7024 -0.1421 C 0 0 0
- -1.2940 -2.9176 -0.0726 C 0 0 0
- -0.3901 2.0395 -0.0750 C 0 0 0
- -2.9055 1.8558 0.0800 C 0 0 0
- -2.5229 -2.3538 -0.0227 C 0 0 0
- -3.9441 -0.3306 0.0881 C 0 0 0
- 2.2732 -1.8840 -0.1114 C 0 0 0
- 3.3805 0.3339 0.0531 N 0 3 0
- -0.3834 3.1896 -0.4692 O 0 0 0
- -4.0332 1.0459 0.1192 C 0 0 0
- 4.4797 -0.1855 -0.0216 O 0 0 0
- 3.2845 1.5432 0.1615 O 0 5 0
- 1.2802 -3.7374 0.0000 H 0 0 0
- -1.2141 -3.9558 0.0000 H 0 0 0
- -3.0050 2.8923 0.0000 H 0 0 0
- -3.3647 -2.9667 0.0000 H 0 0 0
- -4.8102 -0.9087 0.0000 H 0 0 0
- 3.2211 -2.3150 0.0000 H 0 0 0
- -4.9746 1.4910 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 12 18 2 0
- 16 19 2 0
- 16 20 1 0
- 8 11 1 0
- 9 15 2 0
- 10 13 2 0
- 14 18 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.7806 -0.6589 0.0000 C 0 0 0
- -0.5995 -0.1468 0.0000 C 0 0 0
- 1.7605 0.5161 0.0000 C 0 0 0
- -1.6645 0.2484 0.0000 N 0 0 0
- 0.2820 -1.6439 0.0000 H 0 0 0
- 1.7030 -1.2656 0.0000 H 0 0 0
- 2.6084 -0.1910 0.0000 H 0 0 0
- 2.4676 1.3640 0.0000 H 0 0 0
- 0.9126 1.2232 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 3 0
- 1 5 1 0
- 1 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16219-75-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.4490 -1.0415 0.4544 C 0 0 2
- -0.7920 -0.1926 0.1336 C 0 0 0
- 1.2882 -0.0205 1.3057 C 0 0 0
- 1.2533 -1.0203 -0.8505 C 0 0 0
- -0.2462 1.2161 -0.0681 C 0 0 0
- -2.0375 -0.5904 0.0519 C 0 0 0
- 1.2907 1.0601 0.1628 C 0 0 2
- 1.7417 0.1924 -1.0187 C 0 0 0
- -3.1248 0.4000 -0.2766 C 0 0 0
- 0.1701 -1.9871 0.0000 H 0 0 0
- 1.8349 -0.8410 0.0000 H 0 0 0
- 2.2322 0.2640 0.0000 H 0 0 0
- 1.8158 -1.8300 0.0000 H 0 0 0
- -0.0594 2.1842 0.0000 H 0 0 0
- -1.1937 1.4887 0.0000 H 0 0 0
- -2.2477 -1.5537 0.0000 H 0 0 0
- 1.8444 1.8759 0.0000 H 0 0 0
- 2.7265 0.2399 0.0000 H 0 0 0
- -2.4609 1.1289 0.0000 H 0 0 0
- -3.8537 1.0639 0.0000 H 0 0 0
- -3.7887 -0.3289 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 9 1 0
- 5 7 1 0
- 7 8 1 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-29-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.6853 0.0000 -0.3399 C 0 0 0
- -0.6853 0.0000 0.3399 C 0 0 0
- 1.4627 1.2492 0.0796 C 0 0 0
- 1.4627 -1.2493 0.0796 C 0 0 0
- -1.4627 1.2493 -0.0796 C 0 0 0
- -1.4627 -1.2492 -0.0796 C 0 0 0
- 0.1494 0.9647 0.0000 H 0 0 0
- -0.1494 -0.9647 0.0000 H 0 0 0
- 2.3996 0.6661 0.0000 H 0 0 0
- 2.0458 2.1861 0.0000 H 0 0 0
- 0.5258 1.8322 0.0000 H 0 0 0
- 0.5258 -1.8323 0.0000 H 0 0 0
- 2.0457 -2.1862 0.0000 H 0 0 0
- 2.3996 -0.6663 0.0000 H 0 0 0
- -0.5258 1.8323 0.0000 H 0 0 0
- -2.0457 2.1862 0.0000 H 0 0 0
- -2.3996 0.6663 0.0000 H 0 0 0
- -2.3996 -0.6661 0.0000 H 0 0 0
- -2.0458 -2.1861 0.0000 H 0 0 0
- -0.5258 -1.8322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-625-45-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.4248 -0.6647 0.0000 C 0 0 0
- -0.9358 -0.0168 0.0000 C 0 0 0
- 1.4341 0.3470 0.0000 O 0 0 0
- -2.0415 -0.7778 0.0000 O 0 0 0
- -1.0314 1.1877 0.0000 O 0 0 0
- 2.6943 -0.3268 0.0000 C 0 0 0
- -0.1424 -1.5741 0.0000 H 0 0 0
- 1.2642 -1.3310 0.0000 H 0 0 0
- -2.9244 -1.3854 0.0000 H 0 0 0
- 2.1890 -1.2719 0.0000 H 0 0 0
- 3.6394 -0.8321 0.0000 H 0 0 0
- 3.1996 0.6183 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 4 9 1 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13177-27-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -1.0770 -0.0439 0.0020 C 0 0 0
- -0.5173 -1.2096 0.0017 C 0 0 0
- -0.0757 1.0216 0.0011 C 0 0 0
- -2.5103 0.2233 -0.0024 C 0 0 0
- 0.9392 -1.0010 0.0003 C 0 0 0
- -1.4278 -2.3704 0.0028 C 0 0 0
- 1.2060 0.3000 0.0003 C 0 0 0
- -0.5157 2.2552 0.0008 C 0 0 0
- -2.9071 1.6417 -0.0015 C 0 0 0
- -3.3206 -0.8078 -0.0065 C 0 0 0
- 2.0557 -1.9647 -0.0017 C 0 0 0
- -2.7330 -2.1657 0.0039 C 0 0 0
- 2.6015 0.7653 0.0000 C 0 0 0
- -1.9561 2.5584 0.0012 C 0 0 0
- 3.3006 -1.5445 -0.0026 C 0 0 0
- 3.5916 -0.1005 -0.0006 C 0 0 0
- 2.8684 2.0937 0.0009 N 0 0 0
- -1.0267 -3.3893 0.0000 H 0 0 0
- 0.2046 3.0800 0.0000 H 0 0 0
- -3.9638 1.9290 0.0000 H 0 0 0
- -4.4066 -0.6671 0.0000 H 0 0 0
- 1.8454 -3.0394 0.0000 H 0 0 0
- -3.4035 -3.0315 0.0000 H 0 0 0
- -2.2585 3.6109 0.0000 H 0 0 0
- 4.1224 -2.2683 0.0000 H 0 0 0
- 4.6287 0.2509 0.0000 H 0 0 0
- 3.9060 2.4437 0.0000 H 0 0 0
- 2.0465 2.8173 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 13 16 2 0
- 13 17 1 0
- 5 7 2 0
- 9 14 2 0
- 10 12 1 0
- 15 16 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53340-16-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- -4.0071 1.8065 -0.0637 C 0 0 0
- -3.7322 3.2474 -0.1825 C 0 0 0
- -2.9665 0.9295 0.4797 C 0 0 0
- -5.1688 1.3019 -0.4316 N 0 0 0
- -2.4749 3.7360 0.2313 C 0 0 0
- -4.6847 4.1272 -0.6916 C 0 0 0
- -3.2136 -0.3920 0.5906 O 0 0 0
- -1.7472 1.4563 0.8730 C 0 0 0
- -5.4038 -0.0076 -0.3173 C 0 0 0
- -1.4764 2.8076 0.7658 C 0 0 0
- -2.2001 5.1032 0.1241 C 0 0 0
- -4.3920 5.4713 -0.7878 C 0 0 0
- -4.4123 -0.8770 0.1994 C 0 0 0
- -6.6518 -0.5348 -0.7147 C 0 0 0
- -0.2507 3.2877 1.1681 N 0 0 0
- -3.1560 5.9550 -0.3824 C 0 0 0
- -4.6799 -2.2319 0.3078 C 0 0 0
- -6.8944 -1.8662 -0.5997 C 0 0 0
- -5.9120 -2.7282 -0.0946 C 0 0 0
- -6.1768 -4.0847 0.0151 N 0 3 0
- -5.7721 -4.8151 1.2189 C 0 0 0
- -6.8613 -4.7877 -1.0727 C 0 0 0
- -7.0146 -5.1962 2.0261 C 0 0 0
- -5.8486 -5.1558 -2.1589 C 0 0 0
- 13.0357 -0.7939 -0.0635 Cl 0 0 0
- 12.2918 0.2832 0.3182 O 0 0 0
- 13.9791 -1.0541 0.8859 O 0 0 0
- 12.2233 -1.8796 -0.2066 O 0 0 0
- 13.7637 -0.4744 -1.4750 O 0 0 0
- -5.6348 3.8278 0.0000 H 0 0 0
- -0.9728 0.8296 0.0000 H 0 0 0
- -1.2552 5.4187 0.0000 H 0 0 0
- -5.1500 6.1177 0.0000 H 0 0 0
- -7.4291 0.0882 0.0000 H 0 0 0
- 0.5277 2.6661 0.0000 H 0 0 0
- -0.1016 4.2727 0.0000 H 0 0 0
- -2.9802 6.9355 0.0000 H 0 0 0
- -3.9125 -2.8671 0.0000 H 0 0 0
- -7.8351 -2.1939 0.0000 H 0 0 0
- -5.4146 -5.7449 0.0000 H 0 0 0
- -4.8693 -4.3939 0.0000 H 0 0 0
- -7.6657 -4.2001 0.0000 H 0 0 0
- -7.3299 -5.6668 0.0000 H 0 0 0
- -7.3067 -4.2438 0.0000 H 0 0 0
- -7.9670 -5.4883 0.0000 H 0 0 0
- -6.7225 -6.1486 0.0000 H 0 0 0
- -6.1889 -6.0920 0.0000 H 0 0 0
- -4.9124 -5.4961 0.0000 H 0 0 0
- -5.5083 -4.2196 0.0000 H 0 0 0
- 14.6759 -0.0741 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 14 18 2 0
- 17 19 1 0
- 19 20 2 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 25 26 2 0
- 25 27 2 0
- 25 28 2 0
- 25 29 1 0
- 8 10 2 0
- 9 13 1 0
- 12 16 1 0
- 18 19 1 0
- 6 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 24 49 1 0
- 29 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5709-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.0520 0.5731 -0.0608 C 0 0 0
- -1.0702 -0.8241 0.0856 C 0 0 0
- 0.2798 0.9350 -0.0987 N 0 0 0
- -2.2472 1.2761 -0.1293 C 0 0 0
- 0.2236 -1.2342 0.1285 N 0 0 0
- -2.2956 -1.4921 0.1557 C 0 0 0
- 1.0124 -0.2051 0.0207 C 0 0 0
- 0.8064 2.2946 -0.2416 C 0 0 0
- -3.4443 0.5967 -0.0531 C 0 0 0
- -3.4617 -0.7845 0.0816 C 0 0 0
- 2.4912 -0.2660 0.0262 N 0 3 0
- 3.1269 0.4390 0.7895 O 0 0 0
- 3.0725 -1.0210 -0.7325 O 0 5 0
- -2.2392 2.3098 0.0000 H 0 0 0
- -2.3195 -2.5255 0.0000 H 0 0 0
- 1.7703 1.9213 0.0000 H 0 0 0
- 1.1797 3.2585 0.0000 H 0 0 0
- -0.1575 2.6679 0.0000 H 0 0 0
- -4.3343 1.1225 0.0000 H 0 0 0
- -4.3657 -1.2859 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 5 7 2 0
- 9 10 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13010-47-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 2.4419 -0.0438 -0.2591 C 0 0 0
- 1.1936 0.6890 -0.0329 N 0 0 0
- 3.5856 0.9502 -0.4704 C 0 0 0
- 2.7462 -0.9205 0.9573 C 0 0 0
- 0.0176 0.1494 -0.4100 C 0 0 0
- 4.8892 0.1850 -0.7067 C 0 0 0
- 4.0499 -1.6857 0.7210 C 0 0 0
- -1.1308 0.8235 -0.2019 N 0 0 0
- -0.0074 -0.9447 -0.9377 O 0 0 0
- 5.1936 -0.6917 0.5098 C 0 0 0
- -2.4091 0.2370 -0.6119 C 0 0 0
- -1.1043 1.9852 0.3584 N 0 0 0
- -2.9842 -0.5889 0.5406 C 0 0 0
- -2.1420 2.5944 0.5465 O 0 0 0
- -4.5575 -1.3107 0.0360 Cl 0 0 0
- 1.6698 -0.6772 0.0000 H 0 0 0
- 1.2438 1.6865 0.0000 H 0 0 0
- 4.1812 1.7519 0.0000 H 0 0 0
- 2.8529 1.6289 0.0000 H 0 0 0
- 1.7485 -0.9662 0.0000 H 0 0 0
- 2.5064 -1.8900 0.0000 H 0 0 0
- 5.8869 0.2308 0.0000 H 0 0 0
- 5.1290 1.1545 0.0000 H 0 0 0
- 3.4543 -2.4874 0.0000 H 0 0 0
- 4.7826 -2.3644 0.0000 H 0 0 0
- 5.7479 -1.5225 0.0000 H 0 0 0
- 6.0879 -0.2472 0.0000 H 0 0 0
- -2.4929 1.2322 0.0000 H 0 0 0
- -3.3737 0.4958 0.0000 H 0 0 0
- -2.9004 -1.5841 0.0000 H 0 0 0
- -2.0196 -0.8477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 8 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 1 0
- 7 10 1 0
- 1 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 13 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72917-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.0523 0.1465 -0.0050 C 0 0 0
- -1.5076 -0.0911 0.0064 C 0 0 0
- 0.1243 1.5378 -0.0277 C 0 0 0
- 1.0564 -0.6969 0.0075 C 0 0 0
- -2.1173 1.1716 -0.0101 C 0 0 0
- -2.2896 -1.2439 0.0282 C 0 0 0
- -1.1228 2.1361 -0.0305 N 0 0 0
- 1.4140 2.0611 -0.0426 C 0 0 0
- 2.3254 -0.1599 -0.0087 C 0 0 0
- 0.8685 -2.1918 0.0390 C 0 0 0
- -3.5060 1.2602 -0.0042 C 0 0 0
- -3.6679 -1.1377 0.0334 C 0 0 0
- 2.5018 1.2152 -0.0356 C 0 0 0
- 1.6208 3.5536 -0.0671 C 0 0 0
- 3.5047 -1.0544 0.0045 N 0 3 0
- -4.2717 0.1150 0.0178 C 0 0 0
- -4.4350 -2.2605 0.0546 O 0 0 0
- 4.2361 -1.0836 0.9780 O 0 0 0
- 3.7437 -1.7612 -0.9582 O 0 5 0
- -1.8370 -2.1835 0.0000 H 0 0 0
- -1.2904 3.1655 0.0000 H 0 0 0
- -0.1663 -2.0617 0.0000 H 0 0 0
- 0.7384 -3.2266 0.0000 H 0 0 0
- 1.9033 -2.3219 0.0000 H 0 0 0
- -3.9680 2.1953 0.0000 H 0 0 0
- 3.4660 1.6128 0.0000 H 0 0 0
- 2.6539 3.4105 0.0000 H 0 0 0
- 1.7639 4.5867 0.0000 H 0 0 0
- 0.5877 3.6967 0.0000 H 0 0 0
- -5.3121 0.1881 0.0000 H 0 0 0
- -5.0234 -3.1217 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 15 18 2 0
- 15 19 1 0
- 5 7 1 0
- 9 13 1 0
- 12 16 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1007-36-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.6733 -0.3864 0.2807 C 0 0 0
- -0.6418 -0.7979 0.5246 N 0 0 0
- 1.0644 0.9103 0.5862 C 0 0 0
- 1.5915 -1.2759 -0.2620 C 0 0 0
- -1.6728 -0.1039 0.0032 C 0 0 0
- 2.3635 1.3133 0.3448 C 0 0 0
- 2.8886 -0.8669 -0.5010 C 0 0 0
- -2.9387 -0.4273 0.3338 N 0 0 0
- -1.4608 0.8141 -0.7654 O 0 0 0
- 3.2738 0.4270 -0.2005 C 0 0 0
- -4.0594 0.3271 -0.2330 C 0 0 0
- -0.7877 -1.7998 0.0000 H 0 0 0
- 0.3456 1.6234 0.0000 H 0 0 0
- 1.3587 -2.2613 0.0000 H 0 0 0
- 2.5999 2.2978 0.0000 H 0 0 0
- 3.6103 -1.5771 0.0000 H 0 0 0
- -3.1112 -1.4250 0.0000 H 0 0 0
- 4.2536 0.6821 0.0000 H 0 0 0
- -3.4940 1.1670 0.0000 H 0 0 0
- -4.8993 0.8925 0.0000 H 0 0 0
- -4.6248 -0.5128 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 7 10 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61841-39-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.1884 -0.5662 0.0899 C 0 0 0
- -1.6333 -0.2358 0.0333 C 0 0 0
- 0.7641 0.4389 -0.0700 C 0 0 0
- 0.2190 -1.8815 0.3089 C 0 0 0
- -2.5214 -1.0959 -0.6114 C 0 0 0
- -2.1062 0.9321 0.6294 C 0 0 0
- 2.1068 0.1295 -0.0171 C 0 0 0
- 1.5624 -2.1863 0.3611 C 0 0 0
- -3.8638 -0.7870 -0.6628 C 0 0 0
- -3.4498 1.2372 0.5755 C 0 0 0
- 2.5107 -1.1833 0.1951 C 0 0 0
- 3.1188 1.1964 -0.1868 N 0 3 0
- -4.3324 0.3813 -0.0725 C 0 0 0
- 3.8708 -1.4944 0.2479 N 0 0 0
- 3.0966 2.1773 0.5349 O 0 0 0
- 3.9738 1.0933 -1.0482 O 0 5 0
- -5.6926 0.6923 -0.1259 N 0 0 0
- 0.4658 1.4280 0.0000 H 0 0 0
- -0.4828 -2.6397 0.0000 H 0 0 0
- -2.2442 -2.0912 0.0000 H 0 0 0
- -1.4369 1.7192 0.0000 H 0 0 0
- 1.8629 -3.1748 0.0000 H 0 0 0
- -4.5355 -1.5720 0.0000 H 0 0 0
- -3.7287 2.2320 0.0000 H 0 0 0
- 4.1749 -2.4818 0.0000 H 0 0 0
- 4.5739 -0.7374 0.0000 H 0 0 0
- -5.9967 1.6797 0.0000 H 0 0 0
- -6.3956 -0.0648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 8 11 1 0
- 10 13 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 14 25 1 0
- 14 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16423-68-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -1.0904 -1.8028 0.4906 C 0 0 0
- -2.1860 -0.9652 -0.1151 C 0 0 0
- 0.1201 -0.9320 0.7020 C 0 0 0
- -1.5384 -2.4101 1.7801 C 0 0 0
- -0.7609 -2.9079 -0.3970 O 0 0 0
- -2.1672 0.4107 0.0407 C 0 0 0
- -3.1990 -1.5817 -0.8254 C 0 0 0
- -0.0267 0.4426 0.7864 C 0 0 0
- 1.3683 -1.5166 0.8068 C 0 0 0
- -1.4608 -3.8055 1.6070 C 0 0 0
- -1.9627 -1.8504 2.9643 C 0 0 0
- -0.9779 -4.0705 0.2521 C 0 0 0
- -1.2208 1.0593 0.7419 O 0 0 0
- -3.1825 1.1683 -0.5460 C 0 0 0
- -4.2062 -0.8295 -1.3987 C 0 0 0
- 1.1122 1.2319 0.9556 C 0 0 0
- 2.4922 -0.7330 0.9849 C 0 0 0
- -1.8162 -4.6758 2.6414 C 0 0 0
- -2.3132 -2.7272 3.9868 C 0 0 0
- -0.7985 -5.1755 -0.2196 O 0 0 0
- -4.1942 0.5517 -1.2595 C 0 0 0
- -3.1740 3.2535 -0.3435 I 0 0 0
- -5.7420 -1.7675 -2.4713 I 0 0 0
- 2.3617 0.6474 1.0546 C 0 0 0
- 0.9274 3.3162 1.0595 I 0 0 0
- 4.3819 -1.6225 1.1493 I 0 0 0
- -2.2414 -4.0971 3.8274 C 0 0 0
- -5.1783 1.2992 -1.8253 O 0 0 0
- 3.4637 1.4256 1.2200 O 0 0 0
- 13.9370 -0.1224 -1.7845 Na 0 3 0
- 22.2163 -0.0478 -4.3237 Na 0 3 0
- -3.2469 -2.5924 0.0000 H 0 0 0
- 1.4546 -2.5247 0.0000 H 0 0 0
- -2.0981 -0.8477 0.0000 H 0 0 0
- -1.6921 -5.6800 0.0000 H 0 0 0
- -3.3114 -2.5620 0.0000 H 0 0 0
- -3.1943 -4.4374 0.0000 H 0 0 0
- -5.9840 1.9112 0.0000 H 0 0 0
- 4.2902 2.0093 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 2 0
- 10 18 1 0
- 11 19 2 0
- 12 20 2 0
- 14 21 2 0
- 14 22 1 0
- 15 23 1 0
- 16 24 2 0
- 16 25 1 0
- 17 26 1 0
- 18 27 2 0
- 21 28 1 0
- 24 29 1 0
- 8 13 1 0
- 10 12 1 0
- 15 21 1 0
- 17 24 1 0
- 19 27 1 0
- 7 32 1 0
- 9 33 1 0
- 11 34 1 0
- 18 35 1 0
- 19 36 1 0
- 27 37 1 0
- 28 38 1 0
- 29 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-262-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -1.1494 0.7475 0.2449 C 0 0 0
- -1.3407 -0.6185 0.0785 C 0 0 0
- 0.0002 1.3063 0.6433 O 0 0 0
- -2.2256 1.6021 -0.0007 C 0 0 0
- -0.0004 -1.7368 0.3249 S 0 0 0
- -2.5809 -1.1202 -0.2896 C 0 0 0
- 1.1504 0.7467 0.2477 C 0 0 0
- -3.4545 1.1006 -0.3773 C 0 0 0
- 1.3392 -0.6184 0.0747 C 0 0 0
- -3.6399 -0.2614 -0.5179 C 0 0 0
- 2.2284 1.6008 0.0061 C 0 0 0
- 2.5786 -1.1202 -0.2979 C 0 0 0
- 3.4560 1.0994 -0.3729 C 0 0 0
- 3.6393 -0.2626 -0.5198 C 0 0 0
- -2.0804 2.6186 0.0000 H 0 0 0
- -2.7328 -2.1358 0.0000 H 0 0 0
- -4.2661 1.7296 0.0000 H 0 0 0
- -4.5946 -0.6395 0.0000 H 0 0 0
- 2.0840 2.6174 0.0000 H 0 0 0
- 2.7296 -2.1359 0.0000 H 0 0 0
- 4.2682 1.7277 0.0000 H 0 0 0
- 4.5935 -0.6421 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 2 0
- 12 14 2 0
- 7 9 2 0
- 8 10 2 0
- 13 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-66-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.0002 -0.6574 -0.0014 C 0 0 0
- -1.2024 0.0394 -0.0006 C 0 0 0
- 1.2026 0.0393 -0.0009 C 0 0 0
- -0.0004 -2.0184 0.0029 O 0 0 0
- -1.1979 1.4263 0.0008 C 0 0 0
- -2.3819 -0.6376 -0.0015 O 0 0 0
- 1.1985 1.4257 0.0005 C 0 0 0
- 2.3818 -0.6382 -0.0012 O 0 0 0
- 0.0002 2.1153 0.0013 C 0 0 0
- -0.0006 -3.0553 0.0000 H 0 0 0
- -2.0946 1.9470 0.0000 H 0 0 0
- -3.2812 -1.1538 0.0000 H 0 0 0
- 2.0954 1.9461 0.0000 H 0 0 0
- 3.2809 -1.1548 0.0000 H 0 0 0
- 0.0004 3.1522 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87406-72-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- -0.0180 -0.2389 0.0831 N 0 0 0
- -0.7163 0.8743 0.7306 C 0 0 0
- 1.1935 0.0132 -0.7011 C 0 0 0
- -0.4869 -1.4957 0.2136 C 0 0 0
- -1.8714 1.3382 -0.1590 C 0 0 0
- 2.4195 -0.0828 0.2092 C 0 0 0
- -1.4050 -2.0466 -0.7952 C 0 0 0
- -0.1510 -2.1744 1.1652 O 0 0 0
- -2.6007 2.5009 0.5172 C 0 0 0
- -1.6614 2.6990 -0.5413 O 0 0 0
- 3.6847 0.1805 -0.6099 C 0 0 0
- 3.0965 1.1755 0.2305 O 0 0 0
- -1.9070 -3.2684 -0.6408 C 0 0 0
- 0.2064 1.1062 0.0000 H 0 0 0
- -0.6518 1.8235 0.0000 H 0 0 0
- 1.6557 0.8448 0.0000 H 0 0 0
- 0.6297 0.7795 0.0000 H 0 0 0
- -2.4816 0.6082 0.0000 H 0 0 0
- 2.4799 -1.0323 0.0000 H 0 0 0
- -2.1265 -1.4264 0.0000 H 0 0 0
- -2.9048 3.4024 0.0000 H 0 0 0
- -3.4604 2.0933 0.0000 H 0 0 0
- 3.9792 -0.7242 0.0000 H 0 0 0
- 4.5517 0.5722 0.0000 H 0 0 0
- -2.8499 -3.3953 0.0000 H 0 0 0
- -1.3257 -4.0215 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 2 0
- 9 10 1 0
- 11 12 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117760-93-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.0332 0.4352 -0.1338 C 0 0 0
- -0.7604 -0.7693 -0.0101 C 0 0 0
- 1.3775 0.3779 -0.1979 C 0 0 0
- -0.7040 1.6722 -0.1980 C 0 0 0
- -2.2248 -0.7185 0.0542 C 0 0 0
- -0.0812 -1.9890 0.0479 C 0 0 0
- 2.0244 -0.8503 -0.1394 C 0 0 0
- 2.1781 1.6096 -0.3257 C 0 0 0
- -2.0592 1.7494 -0.1458 C 0 0 0
- -2.8665 0.5377 -0.0091 C 0 0 0
- -2.9907 -1.8798 0.1756 C 0 0 0
- 1.2939 -2.0218 -0.0169 C 0 0 0
- 3.5289 -0.8948 -0.2116 C 0 0 2
- 3.4668 1.5881 -0.0072 C 0 0 0
- -2.6839 2.9924 -0.2127 N 0 0 0
- -4.2635 0.5988 0.0501 C 0 0 0
- -4.3525 -1.7887 0.2312 C 0 0 0
- 4.1179 0.3273 0.4901 C 0 0 1
- 3.9401 -0.9025 -1.5801 O 0 0 0
- -4.9860 -0.5533 0.1684 C 0 0 0
- 3.9154 0.2107 1.8999 O 0 0 0
- -0.1450 2.5532 0.0000 H 0 0 0
- -0.6206 -2.8821 0.0000 H 0 0 0
- 1.6881 2.5307 0.0000 H 0 0 0
- -2.5271 -2.8145 0.0000 H 0 0 0
- 1.7892 -2.9401 0.0000 H 0 0 0
- 3.5037 -1.9378 0.0000 H 0 0 0
- 4.0169 2.4746 0.0000 H 0 0 0
- -2.1108 3.8643 0.0000 H 0 0 0
- -3.7255 3.0528 0.0000 H 0 0 0
- -4.7485 1.5226 0.0000 H 0 0 0
- -4.9259 -2.6603 0.0000 H 0 0 0
- 5.1612 0.3417 0.0000 H 0 0 0
- 4.9833 -0.9220 0.0000 H 0 0 0
- -6.0284 -0.5083 0.0000 H 0 0 0
- 3.0112 -0.3099 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 13 19 1 0
- 16 20 2 0
- 18 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 17 20 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3351-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.0870 0.5841 0.0022 C 0 0 0
- -0.7288 -0.5633 0.0010 C 0 0 0
- 1.5406 0.4079 0.0016 C 0 0 0
- -0.4922 1.8647 -0.0018 C 0 0 0
- -2.1820 -0.3870 0.0010 C 0 0 0
- -0.1491 -1.8442 -0.0007 C 0 0 0
- 2.0679 -0.9046 0.0000 C 0 0 0
- 2.4086 1.5030 0.0020 C 0 0 0
- -1.8347 2.0329 -0.0073 C 0 0 0
- -2.7091 0.9256 0.0025 C 0 0 0
- -3.0506 -1.4821 -0.0008 C 0 0 0
- 1.1931 -2.0122 -0.0016 C 0 0 0
- 3.4597 -1.0820 -0.0008 C 0 0 0
- 3.7578 1.2958 0.0009 C 0 0 0
- -4.1014 1.1032 0.0024 C 0 0 0
- -4.3994 -1.2746 -0.0012 C 0 0 0
- 4.2801 0.0070 0.0001 C 0 0 0
- -4.9217 0.0147 0.0010 C 0 0 0
- 5.7743 -0.1889 -0.0007 C 0 0 0
- 0.1324 2.7118 0.0000 H 0 0 0
- -0.7736 -2.6914 0.0000 H 0 0 0
- 2.0240 2.4827 0.0000 H 0 0 0
- -2.2337 3.0068 0.0000 H 0 0 0
- -2.6663 -2.4619 0.0000 H 0 0 0
- 1.5922 -2.9861 0.0000 H 0 0 0
- 3.8688 -2.0517 0.0000 H 0 0 0
- 4.4106 2.1214 0.0000 H 0 0 0
- -4.5103 2.0730 0.0000 H 0 0 0
- -5.0524 -2.1000 0.0000 H 0 0 0
- -5.9652 0.1516 0.0000 H 0 0 0
- 5.6375 -1.2325 0.0000 H 0 0 0
- 6.8179 -0.3257 0.0000 H 0 0 0
- 5.9111 0.8547 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 2 0
- 17 19 1 0
- 7 12 1 0
- 9 10 2 0
- 14 17 2 0
- 16 18 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2274-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 2.6978 0.0213 -0.0108 C 0 0 0
- 1.3976 -0.1922 0.2733 O 0 0 0
- 3.3744 1.2211 0.5011 C 0 0 0
- 3.3119 -0.7810 -0.6863 O 0 0 0
- 0.7290 -1.3777 -0.2325 C 0 0 0
- 4.6581 1.4319 0.2205 C 0 0 0
- -0.7290 -1.3780 0.2311 C 0 0 0
- -1.3978 -0.1924 -0.2743 O 0 0 0
- -2.6981 0.0208 0.0100 C 0 0 0
- -3.3749 1.2207 -0.5015 C 0 0 0
- -3.3107 -0.7794 0.6894 O 0 0 0
- -4.6587 1.4311 -0.2208 C 0 0 0
- 2.8082 2.0311 0.0000 H 0 0 0
- 0.5608 -2.3515 0.0000 H 0 0 0
- 1.6599 -1.7094 0.0000 H 0 0 0
- 5.2844 0.6674 0.0000 H 0 0 0
- 5.0070 2.3565 0.0000 H 0 0 0
- -1.6599 -1.7099 0.0000 H 0 0 0
- -0.5605 -2.3518 0.0000 H 0 0 0
- -2.8089 2.0308 0.0000 H 0 0 0
- -5.0079 2.3556 0.0000 H 0 0 0
- -5.2847 0.6664 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 9 11 2 0
- 10 12 2 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86674-50-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.0266 -0.1911 0.0470 C 0 0 0
- -1.2267 0.6466 0.0515 C 0 0 0
- 1.2391 0.4285 0.0477 C 0 0 0
- -0.1471 -1.5807 0.1027 C 0 0 0
- -2.4819 0.0683 -0.1425 C 0 0 0
- -1.0851 2.0392 0.2177 C 0 0 0
- 2.3783 -0.3822 -0.0507 C 0 0 0
- 1.3203 1.8351 0.1715 C 0 0 0
- -1.5049 -2.2073 0.2574 C 0 0 2
- 0.9839 -2.3417 0.0271 C 0 0 0
- -2.5882 -1.4001 -0.4473 C 0 0 2
- -3.5907 0.8605 -0.0600 C 0 0 0
- 0.2113 2.6018 0.2691 C 0 0 0
- -2.2453 2.8197 0.3162 C 0 0 0
- 2.2354 -1.7404 -0.0624 C 0 0 0
- 3.7238 0.2281 -0.1415 N 0 3 0
- -1.8222 -2.3196 1.6462 O 0 0 0
- -2.4904 -1.6019 -1.8586 O 0 0 0
- -3.4672 2.2255 0.1796 C 0 0 0
- 3.9156 1.1712 -0.8879 O 0 0 0
- 4.6392 -0.2130 0.5301 O 0 5 0
- 2.2539 2.2908 0.0000 H 0 0 0
- -1.1135 -3.1697 0.0000 H 0 0 0
- 0.9090 -3.3779 0.0000 H 0 0 0
- -3.6085 -1.5958 0.0000 H 0 0 0
- -4.5350 0.4273 0.0000 H 0 0 0
- 0.3127 3.6358 0.0000 H 0 0 0
- -2.1729 3.8561 0.0000 H 0 0 0
- 3.0846 -2.3389 0.0000 H 0 0 0
- -2.8016 -2.6662 0.0000 H 0 0 0
- -2.0373 -2.5368 0.0000 H 0 0 0
- -4.3222 2.8157 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 16 20 2 0
- 16 21 1 0
- 8 13 2 0
- 9 11 1 0
- 10 15 1 0
- 14 19 2 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-90-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.8566 0.6768 -0.0039 C 0 0 0
- -0.2065 -0.2313 -0.0036 C 0 0 0
- 0.5939 2.0496 -0.0009 C 0 0 0
- 2.2467 0.1891 -0.0011 C 0 0 0
- -1.5049 0.2327 -0.0005 C 0 0 0
- -0.7102 2.4985 0.0022 C 0 0 0
- 3.1668 0.9796 -0.0013 O 0 0 0
- 2.5681 -1.5169 0.0025 Cl 0 0 0
- -1.7571 1.5937 0.0029 C 0 0 0
- -2.6318 -0.7269 -0.0003 N 0 3 0
- -3.7793 -0.3187 0.0025 O 0 0 0
- -2.4115 -1.9248 -0.0028 O 0 5 0
- -0.0188 -1.2521 0.0000 H 0 0 0
- 1.3782 2.7295 0.0000 H 0 0 0
- -0.9068 3.5177 0.0000 H 0 0 0
- -2.7365 1.9373 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-30-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 1.3738 -0.4663 0.0656 C 0 0 0
- 0.1216 -1.7054 0.0334 S 0 0 0
- 1.5414 0.3182 1.1917 C 0 0 0
- 2.1924 -0.2823 -1.0328 C 0 0 0
- -1.2018 -1.0524 -0.7180 N 0 0 0
- 0.6020 -2.7172 -0.8410 O 0 0 0
- -0.2614 -1.9025 1.3876 O 0 0 0
- 2.5237 1.2902 1.2169 C 0 0 0
- 3.1750 0.6900 -1.0075 C 0 0 0
- -1.8687 0.1175 -0.1411 C 0 0 0
- 3.3387 1.4780 0.1161 C 0 0 0
- -2.0364 1.1914 -1.2179 C 0 0 0
- -3.2440 -0.2903 0.3910 C 0 0 0
- 4.4097 2.5378 0.1436 C 0 0 0
- -2.7330 2.4132 -0.6154 C 0 0 0
- -3.9406 0.9315 0.9935 C 0 0 0
- -4.1083 2.0055 -0.0833 C 0 0 0
- 0.6437 0.8093 0.0000 H 0 0 0
- 2.6835 -1.1799 0.0000 H 0 0 0
- -1.9034 -1.7972 0.0000 H 0 0 0
- 2.0302 2.1865 0.0000 H 0 0 0
- 4.0741 0.2015 0.0000 H 0 0 0
- -0.9029 0.4554 0.0000 H 0 0 0
- -1.0444 0.9406 0.0000 H 0 0 0
- -1.4171 2.0059 0.0000 H 0 0 0
- -4.1691 -0.7275 0.0000 H 0 0 0
- -2.8789 -1.2461 0.0000 H 0 0 0
- 5.1294 1.8105 0.0000 H 0 0 0
- 5.1370 3.2575 0.0000 H 0 0 0
- 3.6900 3.2651 0.0000 H 0 0 0
- -1.8079 2.8504 0.0000 H 0 0 0
- -3.0981 3.3691 0.0000 H 0 0 0
- -4.9326 1.1823 0.0000 H 0 0 0
- -4.5599 0.1170 0.0000 H 0 0 0
- -4.3553 2.9985 0.0000 H 0 0 0
- -5.1112 1.8029 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 9 11 2 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- -1.3717 0.4716 0.2406 C 0 0 0
- -2.7557 0.4582 0.4517 N 0 0 0
- -0.7002 1.6804 0.1163 C 0 0 0
- -0.6698 -0.7241 0.1611 C 0 0 0
- -3.6415 -0.1618 -0.5369 C 0 0 0
- 0.6652 1.6937 -0.0915 C 0 0 0
- 0.6951 -0.7108 -0.0466 C 0 0 0
- -4.8095 -0.8416 0.1803 C 0 0 0
- -4.1801 0.9126 -1.4837 C 0 0 0
- 1.3661 0.4982 -0.1761 C 0 0 0
- -4.2709 -1.9159 1.1272 C 0 0 0
- 2.7501 0.5117 -0.3868 N 0 0 0
- 3.6343 -0.2416 0.5060 C 0 0 0
- 4.8275 -0.7754 -0.2892 C 0 0 0
- 4.1352 0.6774 1.6220 C 0 0 0
- 4.3265 -1.6943 -1.4052 C 0 0 0
- -3.0666 1.4282 0.0000 H 0 0 0
- -1.2211 2.5558 0.0000 H 0 0 0
- -1.1716 -1.6106 0.0000 H 0 0 0
- -3.0928 -1.0200 0.0000 H 0 0 0
- 1.1673 2.5800 0.0000 H 0 0 0
- 1.2161 -1.5861 0.0000 H 0 0 0
- -5.3035 0.0492 0.0000 H 0 0 0
- -5.7104 -1.3170 0.0000 H 0 0 0
- -3.2695 1.3691 0.0000 H 0 0 0
- -4.6366 1.8232 0.0000 H 0 0 0
- -5.0907 0.4561 0.0000 H 0 0 0
- -5.1815 -2.3724 0.0000 H 0 0 0
- -3.8144 -2.8265 0.0000 H 0 0 0
- -3.3603 -1.4594 0.0000 H 0 0 0
- 3.0974 1.4693 0.0000 H 0 0 0
- 3.0905 -1.1029 0.0000 H 0 0 0
- 5.7343 -1.2395 0.0000 H 0 0 0
- 5.2677 0.1432 0.0000 H 0 0 0
- 5.0296 0.1899 0.0000 H 0 0 0
- 4.6227 1.5718 0.0000 H 0 0 0
- 3.2408 1.1649 0.0000 H 0 0 0
- 3.4321 -1.2067 0.0000 H 0 0 0
- 3.8389 -2.5887 0.0000 H 0 0 0
- 5.2209 -2.1819 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 1 0
- 7 10 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 16 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142-83-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.0922 -0.4167 0.0000 C 0 0 0
- -1.3743 0.2840 0.0000 C 0 0 0
- 1.0672 0.2894 0.0000 C 0 0 0
- -2.5152 -0.4108 0.0000 C 0 0 0
- 2.3026 -0.3857 0.0000 C 0 0 0
- -3.8376 0.3119 0.0000 C 0 0 0
- 3.3400 0.2461 0.0000 O 0 0 0
- -0.0679 -1.4534 0.0000 H 0 0 0
- -1.3986 1.3207 0.0000 H 0 0 0
- 1.0429 1.3261 0.0000 H 0 0 0
- -2.4909 -1.4475 0.0000 H 0 0 0
- 2.3269 -1.4224 0.0000 H 0 0 0
- -3.3403 1.2219 0.0000 H 0 0 0
- -4.7476 0.8092 0.0000 H 0 0 0
- -4.3349 -0.5981 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132-86-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.5770 0.4905 -0.0023 C 0 0 0
- -0.3963 -0.9151 -0.0016 C 0 0 0
- 0.5519 1.3355 -0.0014 C 0 0 0
- -1.8787 1.0171 0.0020 C 0 0 0
- 0.9047 -1.4441 -0.0001 C 0 0 0
- -1.5238 -1.7549 -0.0021 C 0 0 0
- 1.8046 0.7930 0.0001 C 0 0 0
- 0.3935 2.6842 -0.0015 O 0 0 0
- -2.9474 0.1736 0.0067 C 0 0 0
- 1.9859 -0.5920 0.0008 C 0 0 0
- -2.7704 -1.2086 -0.0031 C 0 0 0
- 3.2444 -1.1042 0.0022 O 0 0 0
- -2.0265 2.0517 0.0000 H 0 0 0
- 1.0512 -2.4789 0.0000 H 0 0 0
- -1.4053 -2.7933 0.0000 H 0 0 0
- 2.6390 1.4223 0.0000 H 0 0 0
- 0.2716 3.7222 0.0000 H 0 0 0
- -3.9150 0.5687 0.0000 H 0 0 0
- -3.6071 -1.8349 0.0000 H 0 0 0
- 4.2124 -1.4982 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 10 12 1 0
- 7 10 2 0
- 9 11 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139953-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 0.6943 -0.2412 0.1123 C 0 0 0
- -0.5197 0.4663 0.0266 C 0 0 0
- 1.8770 0.4311 0.0835 C 0 0 0
- -1.7008 -0.2051 0.0553 C 0 0 0
- 3.0919 -0.2768 0.1693 C 0 0 0
- -2.9204 0.5055 -0.0308 C 0 0 0
- 4.2712 0.3936 0.1406 C 0 0 0
- -4.0894 -0.1590 -0.0023 C 0 0 0
- 5.5315 -0.3408 0.2296 C 0 0 0
- -5.2561 0.5208 -0.0847 O 0 0 0
- 6.6924 0.3191 0.2013 C 0 0 0
- -6.3041 -0.4489 -0.0283 C 0 0 0
- 7.9921 -0.4383 0.2931 C 0 0 0
- -7.6582 0.2578 -0.1172 C 0 0 0
- 8.8247 -0.1765 -0.9635 C 0 0 0
- -8.7803 -0.7806 -0.0568 C 0 0 0
- 0.6886 -1.2950 0.0000 H 0 0 0
- -0.5140 1.5201 0.0000 H 0 0 0
- 1.8826 1.4849 0.0000 H 0 0 0
- -1.7064 -1.2589 0.0000 H 0 0 0
- 3.0863 -1.3306 0.0000 H 0 0 0
- -2.9148 1.5593 0.0000 H 0 0 0
- 4.2768 1.4474 0.0000 H 0 0 0
- -4.0950 -1.2128 0.0000 H 0 0 0
- 5.5258 -1.3946 0.0000 H 0 0 0
- 6.6981 1.3729 0.0000 H 0 0 0
- -6.8951 -1.3214 0.0000 H 0 0 0
- -5.5048 -1.1357 0.0000 H 0 0 0
- 7.2556 -1.1921 0.0000 H 0 0 0
- 8.5437 -1.3363 0.0000 H 0 0 0
- -7.0672 1.1303 0.0000 H 0 0 0
- -8.4576 0.9445 0.0000 H 0 0 0
- 9.1408 -1.1818 0.0000 H 0 0 0
- 9.8300 0.1396 0.0000 H 0 0 0
- 8.5086 0.8288 0.0000 H 0 0 0
- -9.4961 -0.0071 0.0000 H 0 0 0
- -9.5538 -1.4964 0.0000 H 0 0 0
- -8.0645 -1.5541 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 16 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-33-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.9053 0.6121 0.0048 C 0 0 0
- -0.7946 -0.7816 0.0036 C 0 0 0
- 0.2506 1.3980 0.0034 C 0 0 0
- -2.2336 1.2492 0.0014 C 0 0 0
- 0.4521 -1.3706 0.0011 C 0 0 0
- 1.4907 0.7943 0.0008 C 0 0 0
- -2.3262 2.4588 0.0025 O 0 0 0
- -3.6664 0.2690 -0.0041 Cl 0 0 0
- 1.5922 -0.5857 -0.0003 C 0 0 0
- 0.5716 -2.8459 0.0003 N 0 3 0
- 2.7160 1.6247 -0.0011 N 0 3 0
- 1.6721 -3.3678 -0.0019 O 0 0 0
- -0.4307 -3.5381 0.0019 O 0 5 0
- 3.8119 1.0931 -0.0034 O 0 0 0
- 2.6284 2.8395 -0.0005 O 0 5 0
- -1.6486 -1.3713 0.0000 H 0 0 0
- 0.1759 2.4331 0.0000 H 0 0 0
- 2.5279 -1.0345 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 6 9 2 0
- 2 16 1 0
- 3 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-49562-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 47 1 V2000
- -1.1027 -0.9241 -0.0013 C 0 0 0
- -2.3973 -1.6062 -0.1863 C 0 0 0
- -0.4287 -1.0183 1.2202 C 0 0 0
- -0.5429 -0.1859 -1.0491 C 0 0 0
- -3.6537 -0.8306 -0.1428 C 0 0 0
- -2.4303 -2.8070 -0.3746 O 0 0 0
- 0.7794 -0.3799 1.3886 C 0 0 0
- 0.6654 0.4491 -0.8722 C 0 0 0
- -4.8672 -1.4427 -0.4648 C 0 0 0
- -3.6338 0.5169 0.2261 C 0 0 0
- 1.3294 0.3575 0.3463 C 0 0 0
- -6.0366 -0.7132 -0.4224 C 0 0 0
- -4.8096 1.2353 0.2646 C 0 0 0
- 2.5202 0.9855 0.5166 O 0 0 0
- -6.0095 0.6238 -0.0614 C 0 0 0
- 3.5328 -0.0191 0.4311 C 0 0 0
- -7.4860 1.5354 -0.0104 Cl 0 0 0
- 4.8543 0.6264 0.1021 C 0 0 0
- 3.6415 -0.7491 1.7714 C 0 0 0
- 3.1669 -1.0201 -0.6666 C 0 0 0
- 5.9561 -0.1290 -0.0284 O 0 0 0
- 4.9219 1.8238 -0.0441 O 0 0 0
- 7.2293 0.4930 -0.3454 C 0 0 0
- 8.3652 -0.3311 0.2643 C 0 0 0
- 7.4025 0.5548 -1.8643 C 0 0 0
- -0.2541 -2.0135 0.0000 H 0 0 0
- -1.1961 0.5850 0.0000 H 0 0 0
- 1.4365 -1.1474 0.0000 H 0 0 0
- 0.4911 1.4443 0.0000 H 0 0 0
- -4.9129 -2.4521 0.0000 H 0 0 0
- -2.7489 1.0047 0.0000 H 0 0 0
- -6.9250 -1.1944 0.0000 H 0 0 0
- -4.7706 2.2449 0.0000 H 0 0 0
- 2.6421 -0.8979 0.0000 H 0 0 0
- 3.7903 -1.7485 0.0000 H 0 0 0
- 4.6409 -0.6003 0.0000 H 0 0 0
- 2.2179 -0.6732 0.0000 H 0 0 0
- 2.8200 -1.9691 0.0000 H 0 0 0
- 4.1159 -1.3670 0.0000 H 0 0 0
- 6.8372 1.4242 0.0000 H 0 0 0
- 7.7719 -1.1489 0.0000 H 0 0 0
- 9.1830 -0.9244 0.0000 H 0 0 0
- 8.9585 0.4867 0.0000 H 0 0 0
- 7.7421 -0.3968 0.0000 H 0 0 0
- 8.3541 0.8944 0.0000 H 0 0 0
- 7.0629 1.5064 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 1 0
- 16 20 1 0
- 18 21 1 0
- 18 22 2 0
- 21 23 1 0
- 23 24 1 0
- 23 25 1 0
- 8 11 1 0
- 13 15 1 0
- 3 26 1 0
- 4 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 10 31 1 0
- 12 32 1 0
- 13 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
- 23 40 1 0
- 24 41 1 0
- 24 42 1 0
- 24 43 1 0
- 25 44 1 0
- 25 45 1 0
- 25 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135295-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -1.5856 -0.0054 -0.0032 C 0 0 0
- -0.6343 -1.1138 0.0643 C 0 0 0
- -0.9754 1.1345 0.0185 C 0 0 0
- -3.0267 -0.2095 -0.0891 C 0 0 0
- 0.6761 -0.4492 0.1309 C 0 0 0
- -1.1281 -2.3268 0.0501 C 0 0 0
- 0.4680 0.8621 0.1043 C 0 0 0
- -1.8318 2.3341 -0.0452 C 0 0 0
- -3.4853 -1.6090 -0.1039 C 0 0 0
- -3.7889 0.8562 -0.1460 C 0 0 0
- 2.0474 -0.9753 0.2136 C 0 0 0
- -2.5782 -2.5664 -0.0306 C 0 0 0
- 1.6244 1.7758 0.1596 C 0 0 0
- -3.1426 2.1869 -0.1194 C 0 0 0
- 3.0734 -0.1539 0.2623 C 0 0 0
- 2.8474 1.3014 0.2330 C 0 0 0
- 4.4756 -0.6997 0.3465 C 0 0 0
- 5.2279 -0.2567 -0.7848 O 0 0 0
- -0.4444 -3.1828 0.0000 H 0 0 0
- -1.3856 3.3346 0.0000 H 0 0 0
- -4.5542 -1.8490 0.0000 H 0 0 0
- -4.8805 0.7639 0.0000 H 0 0 0
- 2.2159 -2.0578 0.0000 H 0 0 0
- -2.9273 -3.6048 0.0000 H 0 0 0
- 1.4614 2.8591 0.0000 H 0 0 0
- -3.7749 3.0815 0.0000 H 0 0 0
- 3.7010 1.9880 0.0000 H 0 0 0
- 3.8628 -1.6077 0.0000 H 0 0 0
- 5.2261 -1.4978 0.0000 H 0 0 0
- 6.1719 0.2992 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 17 18 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 15 16 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-77-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.0844 0.5958 0.0028 C 0 0 0
- -0.4344 -0.7438 0.0003 C 0 0 0
- 1.2489 0.9624 0.0028 C 0 0 0
- -1.3197 1.8155 -0.0015 Cl 0 0 0
- 0.5488 -1.7173 -0.0021 C 0 0 0
- -2.1087 -1.2025 0.0007 Cl 0 0 0
- 2.2350 -0.0127 0.0004 C 0 0 0
- 1.8816 -1.3544 -0.0020 C 0 0 0
- 3.5461 0.3456 0.0000 O 0 0 0
- 1.5116 1.9671 0.0000 H 0 0 0
- 0.2846 -2.7215 0.0000 H 0 0 0
- 2.6189 -2.0856 0.0000 H 0 0 0
- 4.5478 0.6193 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 8 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78859-43-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -1.3432 -1.4282 -0.5507 C 0 0 0
- -2.2351 -1.5840 0.6110 C 0 0 0
- -0.1435 -2.1800 -0.5507 C 0 0 0
- -1.6433 -0.5904 -1.6191 C 0 0 0
- -2.0871 -2.7583 1.3270 N 0 0 0
- -3.1214 -0.6591 0.9486 N 0 0 0
- 0.1356 -3.0493 0.5942 C 0 0 0
- 0.7326 -2.0710 -1.6304 C 0 0 0
- -0.7603 -0.4981 -2.6748 C 0 0 0
- -0.8001 -3.3004 1.4662 N 0 0 0
- -3.1230 0.4825 0.3478 N 0 0 0
- 0.4183 -1.2323 -2.6778 C 0 0 0
- -3.9330 1.4315 0.7469 C 0 0 0
- -4.0468 2.6676 -0.0247 C 0 0 0
- -4.7474 1.2488 2.0017 C 0 0 0
- -3.0044 3.4971 -0.1142 C 0 0 0
- -3.1708 4.8495 -0.7581 C 0 0 0
- -1.6616 3.0811 0.4286 C 0 0 0
- 12.2150 1.0609 0.4903 Cl 0 0 0
- -2.3948 -0.1179 0.0000 H 0 0 0
- -2.7944 -3.2946 0.0000 H 0 0 0
- 0.9151 -3.4741 0.0000 H 0 0 0
- 1.4920 -2.5306 0.0000 H 0 0 0
- -0.5610 0.3669 0.0000 H 0 0 0
- 1.1051 -0.6699 0.0000 H 0 0 0
- -4.8632 3.0161 0.0000 H 0 0 0
- -4.9417 2.1150 0.0000 H 0 0 0
- -5.6136 1.0545 0.0000 H 0 0 0
- -4.5531 0.3826 0.0000 H 0 0 0
- -2.2898 4.9579 0.0000 H 0 0 0
- -3.2792 5.7305 0.0000 H 0 0 0
- -4.0518 4.7411 0.0000 H 0 0 0
- -1.9243 2.2332 0.0000 H 0 0 0
- -0.8137 2.8184 0.0000 H 0 0 0
- -1.3989 3.9290 0.0000 H 0 0 0
- 13.1027 1.0609 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 11 13 2 0
- 13 14 1 0
- 13 15 1 0
- 14 16 2 0
- 16 17 1 0
- 16 18 1 0
- 7 10 2 0
- 9 12 1 0
- 4 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-505-23-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0004 1.7647 -0.3166 C 0 0 0
- -1.2538 1.1893 0.3321 C 0 0 0
- 1.2533 1.1898 0.3321 C 0 0 0
- -1.4816 -0.5363 -0.1700 S 0 0 0
- 1.4819 -0.5356 -0.1700 S 0 0 0
- 0.0003 -1.2823 0.5600 C 0 0 0
- 0.7692 2.7425 0.0000 H 0 0 0
- -0.7704 2.7422 0.0000 H 0 0 0
- -1.5534 2.3970 0.0000 H 0 0 0
- -2.4962 1.1197 0.0000 H 0 0 0
- 2.4957 1.1208 0.0000 H 0 0 0
- 1.5524 2.3977 0.0000 H 0 0 0
- -0.7811 -2.2507 0.0000 H 0 0 0
- 0.7821 -2.2504 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-781-43-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.2042 0.7334 -0.0023 C 0 0 0
- -1.2042 -0.7333 -0.0018 C 0 0 0
- -0.0001 1.4347 -0.0018 C 0 0 0
- -2.4424 1.4115 0.0028 C 0 0 0
- -0.0001 -1.4346 -0.0005 C 0 0 0
- -2.4423 -1.4115 -0.0024 C 0 0 0
- 1.2045 0.7334 -0.0010 C 0 0 0
- -0.0003 2.9417 -0.0027 C 0 0 0
- -3.5969 0.6976 0.0079 C 0 0 0
- 1.2045 -0.7333 0.0004 C 0 0 0
- -0.0002 -2.9416 0.0004 C 0 0 0
- -3.5969 -0.6978 -0.0032 C 0 0 0
- 2.4422 1.4113 -0.0001 C 0 0 0
- 2.4421 -1.4114 0.0013 C 0 0 0
- 3.5971 0.6974 0.0012 C 0 0 0
- 3.5971 -0.6975 0.0018 C 0 0 0
- -2.4700 2.4575 0.0000 H 0 0 0
- -2.4698 -2.4575 0.0000 H 0 0 0
- 1.0461 2.9418 0.0000 H 0 0 0
- -0.0004 3.9881 0.0000 H 0 0 0
- -1.0467 2.9416 0.0000 H 0 0 0
- -4.5109 1.2070 0.0000 H 0 0 0
- -1.0466 -2.9415 0.0000 H 0 0 0
- -0.0003 -3.9880 0.0000 H 0 0 0
- 1.0462 -2.9417 0.0000 H 0 0 0
- -4.5108 -1.2073 0.0000 H 0 0 0
- 2.4697 2.4573 0.0000 H 0 0 0
- 2.4695 -2.4574 0.0000 H 0 0 0
- 4.5110 1.2069 0.0000 H 0 0 0
- 4.5110 -1.2070 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 7 10 1 0
- 9 12 1 0
- 15 16 2 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28434-86-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -3.0448 0.2934 -0.3253 C 0 0 0
- -3.5519 -0.4995 0.6975 C 0 0 0
- -1.8277 -0.0172 -0.9004 C 0 0 0
- -3.9439 1.6691 -0.8846 Cl 0 0 0
- -2.8347 -1.6025 1.1399 C 0 0 0
- -4.7849 -0.1856 1.2814 N 0 0 0
- -1.1120 -1.1202 -0.4570 C 0 0 0
- -1.6178 -1.9115 0.5636 C 0 0 0
- 0.0857 -1.4256 -1.0238 O 0 0 0
- 1.0295 -0.7065 -0.3597 C 0 0 0
- 2.3406 -0.6967 -0.8140 C 0 0 0
- 0.6800 0.0213 0.7681 C 0 0 0
- 3.3000 0.0337 -0.1397 C 0 0 0
- 1.6380 0.7523 1.4436 C 0 0 0
- 2.9511 0.7586 0.9938 C 0 0 0
- 4.9405 0.0458 -0.7074 Cl 0 0 0
- 3.9224 1.4989 1.6783 N 0 0 0
- -1.2829 0.7418 0.0000 H 0 0 0
- -3.3787 -2.3621 0.0000 H 0 0 0
- -5.0380 0.7138 0.0000 H 0 0 0
- -5.4373 -0.8545 0.0000 H 0 0 0
- -1.2741 -2.7803 0.0000 H 0 0 0
- 2.6426 -1.5809 0.0000 H 0 0 0
- -0.2285 0.2394 0.0000 H 0 0 0
- 1.3367 1.6367 0.0000 H 0 0 0
- 4.7844 1.1385 0.0000 H 0 0 0
- 3.8035 2.4256 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 7 8 2 0
- 14 15 2 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 17 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26078-25-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.8001 -2.5530 0.0009 C 0 0 0
- -2.3181 -1.1251 0.0023 C 0 0 0
- -0.8877 -0.8146 0.0016 C 0 0 0
- -3.1998 -0.0910 -0.0015 C 0 0 0
- -0.4828 0.5337 0.0024 C 0 0 0
- 0.0711 -1.8350 -0.0004 C 0 0 0
- -2.7243 1.2359 -0.0006 C 0 0 0
- 0.8692 0.8388 0.0017 C 0 0 0
- -1.4112 1.5143 0.0034 O 0 0 0
- 1.3979 -1.5190 -0.0014 C 0 0 0
- -3.5254 2.1533 -0.0045 O 0 0 0
- 1.8063 -0.1843 0.0003 C 0 0 0
- 2.4293 -2.6177 -0.0030 C 0 0 0
- 3.1635 0.1226 -0.0004 N 0 0 0
- 3.5983 1.5216 0.0004 C 0 0 0
- 5.1271 1.5806 -0.0006 C 0 0 0
- -3.7920 -2.2182 0.0000 H 0 0 0
- -3.1349 -3.5449 0.0000 H 0 0 0
- -1.8082 -2.8878 0.0000 H 0 0 0
- -4.2295 -0.2794 0.0000 H 0 0 0
- -0.2296 -2.8377 0.0000 H 0 0 0
- 1.1822 1.8377 0.0000 H 0 0 0
- 1.6661 -3.3342 0.0000 H 0 0 0
- 3.1458 -3.3809 0.0000 H 0 0 0
- 3.1925 -1.9012 0.0000 H 0 0 0
- 3.8739 -0.6463 0.0000 H 0 0 0
- 3.6765 2.5655 0.0000 H 0 0 0
- 2.5699 1.7173 0.0000 H 0 0 0
- 5.1675 0.5345 0.0000 H 0 0 0
- 6.1732 1.6210 0.0000 H 0 0 0
- 5.0867 2.6267 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 2 0
- 12 8 2 0
- 13 10 1 0
- 14 12 1 0
- 15 14 1 0
- 16 15 1 0
- 7 9 1 0
- 10 12 1 0
- 1 17 1 0
- 1 18 1 0
- 1 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-581-29-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.8423 0.5280 -0.0046 C 0 0 0
- -0.7589 -0.9365 -0.0022 C 0 0 0
- 0.2601 1.2715 -0.0044 N 0 0 0
- -2.1165 1.1285 -0.0011 C 0 0 0
- 0.4921 -1.5557 0.0007 C 0 0 0
- -1.9485 -1.6951 -0.0026 C 0 0 0
- 1.4689 0.7192 -0.0021 C 0 0 0
- -3.2398 0.3353 0.0043 C 0 0 0
- 1.6260 -0.7381 0.0013 C 0 0 0
- -3.1485 -1.0641 -0.0050 C 0 0 0
- 2.6311 1.5196 -0.0015 C 0 0 0
- -4.4967 0.9353 0.0077 N 0 0 0
- 2.9241 -1.2867 0.0038 C 0 0 0
- 3.8539 0.9290 0.0013 C 0 0 0
- 4.0006 -0.4577 0.0038 C 0 0 0
- -2.2077 2.1714 0.0000 H 0 0 0
- 0.5784 -2.5990 0.0000 H 0 0 0
- -1.9048 -2.7411 0.0000 H 0 0 0
- -4.0265 -1.6342 0.0000 H 0 0 0
- 2.5510 2.5634 0.0000 H 0 0 0
- -4.5785 1.9790 0.0000 H 0 0 0
- -5.3597 0.3426 0.0000 H 0 0 0
- 3.0579 -2.3250 0.0000 H 0 0 0
- 4.7101 1.5314 0.0000 H 0 0 0
- 4.9630 -0.8698 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 10 1 0
- 14 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13608-87-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3180 0.8417 0.0030 C 0 0 0
- -0.5760 -0.3456 0.0020 C 0 0 0
- -0.6540 2.0737 0.0024 C 0 0 0
- -2.7873 0.7945 -0.0013 C 0 0 0
- 0.8043 -0.2921 0.0003 C 0 0 0
- -1.3881 -1.8799 0.0022 Cl 0 0 0
- 0.7230 2.1110 0.0007 C 0 0 0
- -3.5823 2.0748 -0.0001 C 0 0 0
- -3.3596 -0.2746 -0.0057 O 0 0 0
- 1.4527 0.9324 0.0001 C 0 0 0
- 1.7283 -1.7618 -0.0011 Cl 0 0 0
- 3.1877 0.9909 -0.0009 Cl 0 0 0
- -1.2043 2.9678 0.0000 H 0 0 0
- 1.2214 3.0350 0.0000 H 0 0 0
- -2.6904 2.6286 0.0000 H 0 0 0
- -4.1361 2.9667 0.0000 H 0 0 0
- -4.4742 1.5210 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 10 12 1 0
- 7 10 1 0
- 3 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91259-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.6723 -0.9590 -0.0019 C 0 0 0
- -1.7602 -0.0568 -0.0017 C 0 0 0
- 0.6567 -0.4889 -0.0012 C 0 0 0
- -0.9241 -2.3500 0.0032 C 0 0 0
- -1.5439 1.3366 -0.0003 C 0 0 0
- -3.0805 -0.5611 -0.0024 C 0 0 0
- 0.9169 0.9611 0.0002 C 0 0 0
- 1.7057 -1.4022 -0.0014 C 0 0 0
- 0.1552 -3.2404 0.0031 C 0 0 0
- -2.2589 -2.8223 0.0078 C 0 0 0
- -0.1670 1.8602 -0.0001 C 0 0 0
- -2.6350 2.1986 0.0003 C 0 0 0
- -3.2982 -1.9602 -0.0030 C 0 0 0
- -4.1552 0.3354 -0.0022 C 0 0 0
- 2.2217 1.4541 0.0008 C 0 0 0
- 1.4477 -2.7621 -0.0023 C 0 0 0
- 3.1046 -0.9176 -0.0013 N 0 3 0
- 0.0761 3.2336 0.0017 C 0 0 0
- -3.9242 1.6936 -0.0004 C 0 0 0
- 2.4402 2.8141 0.0021 C 0 0 0
- 3.6799 -0.7174 -1.0560 O 0 0 0
- 3.6802 -0.7192 1.0536 O 0 5 0
- 1.3724 3.6999 0.0024 C 0 0 0
- -0.0194 -4.2719 0.0000 H 0 0 0
- -2.4423 -3.8522 0.0000 H 0 0 0
- -2.4811 3.2333 0.0000 H 0 0 0
- -4.2765 -2.3307 0.0000 H 0 0 0
- -5.1366 -0.0268 0.0000 H 0 0 0
- 3.0322 0.7927 0.0000 H 0 0 0
- 2.2465 -3.4376 0.0000 H 0 0 0
- -0.7238 3.9078 0.0000 H 0 0 0
- -4.7357 2.3538 0.0000 H 0 0 0
- 3.4194 3.1821 0.0000 H 0 0 0
- 1.5531 4.7303 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 15 20 2 0
- 17 21 2 0
- 17 22 1 0
- 18 23 2 0
- 7 11 2 0
- 9 16 1 0
- 10 13 2 0
- 14 19 2 0
- 20 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1165-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.3886 -0.3850 0.3263 C 0 0 0
- -1.7544 -0.1899 0.3510 C 0 0 0
- 0.4724 0.7228 0.1688 C 0 0 0
- 0.1300 -1.6307 0.4738 O 0 0 0
- -2.2957 1.0855 0.2379 C 0 0 0
- -2.9097 -1.1587 0.5004 C 0 0 0
- 1.8657 0.5214 0.0866 C 0 0 0
- -0.0758 2.0183 0.0848 C 0 0 0
- 1.3612 -1.8773 -0.0429 C 0 0 0
- -3.6542 1.0470 0.2631 O 0 0 0
- -1.4431 2.1868 0.1150 C 0 0 0
- -4.0942 -0.1967 0.8293 C 0 0 0
- -3.3023 -1.6622 -0.8760 C 0 0 0
- 2.3361 -0.7818 0.0080 C 0 0 0
- 2.8126 1.6882 0.0783 C 0 0 0
- 0.7400 3.0962 -0.0250 O 0 0 0
- 1.6435 -2.9580 -0.5260 O 0 0 0
- -5.1361 -0.7300 -0.0104 O 0 0 0
- -4.5693 -1.3637 -1.0612 C 0 0 0
- 3.7810 -1.0418 -0.0370 C 0 0 0
- 4.2052 1.2511 0.5359 C 0 0 0
- 0.6088 3.5788 -1.3636 C 0 0 0
- 4.5905 0.0435 -0.1866 O 0 0 0
- 4.2312 -2.1674 0.0549 O 0 0 0
- -2.1712 -1.8714 0.0000 H 0 0 0
- -1.8377 3.1342 0.0000 H 0 0 0
- -4.8665 0.4791 0.0000 H 0 0 0
- -2.9614 -2.6302 0.0000 H 0 0 0
- 3.2404 2.6210 0.0000 H 0 0 0
- 1.9409 2.2297 0.0000 H 0 0 0
- -5.0936 -2.2459 0.0000 H 0 0 0
- 5.2259 1.3582 0.0000 H 0 0 0
- 4.3075 2.2723 0.0000 H 0 0 0
- 1.5991 3.8480 0.0000 H 0 0 0
- 0.3396 4.5691 0.0000 H 0 0 0
- -0.3815 3.3096 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 16 22 1 0
- 20 23 1 0
- 20 24 2 0
- 8 11 1 0
- 9 14 1 0
- 10 12 1 0
- 18 19 1 0
- 21 23 1 0
- 6 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 19 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-790-60-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.9451 -2.0364 -0.0004 C 0 0 0
- -2.2327 -1.6231 -0.0002 C 0 0 0
- 0.1237 -1.1136 -0.0008 C 0 0 0
- -1.9537 -2.9690 0.0012 O 0 0 0
- -2.5849 -0.2580 -0.0006 C 0 0 0
- -0.1732 0.3239 -0.0012 C 0 0 0
- 1.4469 -1.5517 -0.0004 C 0 0 0
- -1.5809 0.7398 -0.0012 C 0 0 0
- -3.9341 0.1346 0.0007 C 0 0 0
- 0.8519 1.2538 -0.0010 C 0 0 0
- 2.4828 -0.6167 -0.0004 C 0 0 0
- -1.9410 2.0874 -0.0004 C 0 0 0
- -4.2537 1.4600 0.0012 C 0 0 0
- 2.1803 0.8175 -0.0005 C 0 0 0
- 3.8331 -1.0243 0.0005 C 0 0 0
- -3.2627 2.4351 0.0009 C 0 0 0
- 3.2485 1.7362 0.0001 C 0 0 0
- 4.8161 -0.0866 0.0011 C 0 0 0
- 4.5277 1.2772 0.0010 C 0 0 0
- 1.6622 -2.5755 0.0000 H 0 0 0
- -4.6909 -0.5877 0.0000 H 0 0 0
- 0.6341 2.2770 0.0000 H 0 0 0
- -1.2027 2.8286 0.0000 H 0 0 0
- -5.2596 1.7475 0.0000 H 0 0 0
- 4.0760 -2.0419 0.0000 H 0 0 0
- -3.5317 3.4461 0.0000 H 0 0 0
- 3.0582 2.7649 0.0000 H 0 0 0
- 5.8154 -0.3961 0.0000 H 0 0 0
- 5.3160 1.9649 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 14 17 2 0
- 15 18 1 0
- 17 19 1 0
- 2 4 1 0
- 6 8 1 0
- 11 14 1 0
- 13 16 1 0
- 18 19 2 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-470-90-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 1.9113 0.4074 0.1096 P 0 0 0
- 1.2316 -0.5181 -1.0189 O 0 0 0
- 3.0587 1.3161 -0.5610 O 0 0 0
- 0.7919 1.3576 0.7702 O 0 0 0
- 2.5102 -0.4505 1.1563 O 0 0 0
- 0.3327 -1.3160 -0.3837 C 0 0 0
- 3.6793 2.0466 0.4989 C 0 0 0
- 0.5234 0.8355 2.0730 C 0 0 0
- -1.0658 -0.8641 -0.2117 C 0 0 0
- 0.7109 -2.5047 0.0838 C 0 0 0
- 4.7855 2.9351 -0.0735 C 0 0 0
- -0.5382 1.6975 2.7591 C 0 0 0
- -1.5564 0.2006 -0.9695 C 0 0 0
- -1.9008 -1.5041 0.7045 C 0 0 0
- 2.3740 -2.9908 -0.0241 Cl 0 0 0
- -2.8625 0.6176 -0.8042 C 0 0 0
- -0.5269 0.9991 -2.1168 Cl 0 0 0
- -3.2036 -1.0787 0.8609 C 0 0 0
- -3.6839 -0.0182 0.1107 C 0 0 0
- -5.3246 0.5115 0.3139 Cl 0 0 0
- 3.4740 2.9807 0.0000 H 0 0 0
- 2.7513 2.2776 0.0000 H 0 0 0
- -0.0268 0.0533 0.0000 H 0 0 0
- 1.3417 0.3405 0.0000 H 0 0 0
- 0.0427 -3.1889 0.0000 H 0 0 0
- 5.3844 2.1895 0.0000 H 0 0 0
- 5.5311 3.5340 0.0000 H 0 0 0
- 4.1866 3.6807 0.0000 H 0 0 0
- 0.0646 2.4399 0.0000 H 0 0 0
- -1.2806 2.3003 0.0000 H 0 0 0
- -1.1410 0.9551 0.0000 H 0 0 0
- -1.7398 -2.4468 0.0000 H 0 0 0
- -3.0289 1.5594 0.0000 H 0 0 0
- -3.8418 -1.7910 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 13 16 1 0
- 13 17 1 0
- 14 18 2 0
- 16 19 2 0
- 19 20 1 0
- 18 19 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 14 32 1 0
- 16 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108342-09-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.5756 -0.2874 -0.4413 C 0 0 1
- -1.8928 0.3096 -0.0172 C 0 0 0
- 0.4874 0.0199 0.6153 C 0 0 0
- -0.7201 -1.7425 -0.5819 N 0 0 0
- -2.2118 1.5607 -0.3840 O 0 0 0
- -2.6616 -0.3381 0.6531 O 0 0 0
- 1.7678 -0.5604 0.2029 N 0 0 0
- 2.6613 0.1034 0.0467 N 0 3 0
- 3.5548 0.7671 -0.1096 N 0 5 0
- -0.5107 0.6118 0.0000 H 0 0 0
- 1.0775 0.7016 0.0000 H 0 0 0
- 0.0014 0.7793 0.0000 H 0 0 0
- -1.5416 -2.1139 0.0000 H 0 0 0
- 0.0123 -2.2682 0.0000 H 0 0 0
- -2.4346 2.4343 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 2 0
- 8 9 2 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-04-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.9701 -0.3094 -0.0013 C 0 0 0
- -2.4344 -0.4710 -0.0011 C 0 0 0
- -0.4044 0.9692 -0.0002 C 0 0 0
- -0.1394 -1.4334 0.0032 C 0 0 0
- -2.9220 -1.5818 -0.0020 O 0 0 0
- -3.4621 0.9281 0.0006 Cl 0 0 0
- 0.9669 1.1125 0.0000 C 0 0 0
- 1.2306 -1.2741 0.0033 C 0 0 0
- 1.7831 -0.0054 -0.0009 C 0 0 0
- 3.2542 0.1570 -0.0006 N 0 3 0
- 3.9753 -0.8246 -0.0014 O 0 0 0
- 3.7438 1.2723 0.0003 O 0 5 0
- -1.0152 1.8084 0.0000 H 0 0 0
- -0.5525 -2.3856 0.0000 H 0 0 0
- 1.3883 2.0611 0.0000 H 0 0 0
- 1.8487 -2.1079 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 8 9 2 0
- 3 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 81 1 V2000
- -1.4494 1.0354 -0.0738 C 0 0 1
- 0.0279 0.5974 0.0356 C 0 0 2
- -1.4846 1.9253 -1.3364 C 0 0 2
- -2.2732 -0.1143 -0.2782 O 0 0 0
- 0.4220 0.5898 1.4092 O 0 0 0
- 0.7682 1.6158 -0.6719 O 0 0 0
- -0.0244 1.9196 -1.8404 C 0 0 1
- -1.9161 3.3254 -0.9837 C 0 0 0
- -2.3561 1.3643 -2.3202 O 0 0 0
- -2.8584 -0.4331 0.9859 C 0 0 1
- 1.7143 -0.0176 1.4648 C 0 0 2
- 0.1523 0.8101 -2.8790 C 0 0 0
- -2.9102 3.7948 -1.4833 O 0 0 0
- -4.2724 0.1483 1.0545 C 0 0 2
- -2.9105 -1.8499 1.1419 O 0 0 0
- 2.7421 0.9097 0.8132 C 0 0 2
- 1.6836 -1.3513 0.7157 C 0 0 1
- -5.1090 -0.4367 -0.0891 C 0 0 1
- -4.2083 1.6094 0.9165 N 0 0 0
- -3.5570 -2.3874 -0.0103 C 0 0 2
- 4.1257 0.2594 0.8727 C 0 0 1
- 2.7715 2.1868 1.5304 N 0 0 0
- 3.0672 -2.0016 0.7752 C 0 0 2
- 0.7237 -2.2175 1.3243 O 0 0 0
- -5.0281 -1.9660 -0.0232 C 0 0 2
- -6.4695 -0.0249 0.0571 O 0 0 0
- -4.6565 2.1744 2.1962 C 0 0 0
- -3.4642 -3.9143 0.0187 C 0 0 0
- 4.0950 -1.0743 0.1236 C 0 0 2
- 5.0857 1.1255 0.2640 O 0 0 0
- 2.9194 3.3630 0.8342 C 0 0 0
- 3.0385 -3.2473 0.0755 O 0 0 0
- -5.6742 -2.5268 -1.1678 O 0 0 0
- -2.1008 -4.3117 -0.1407 O 0 0 0
- 5.4199 -1.6970 0.1806 N 0 0 0
- 2.8217 4.5672 1.4903 N 0 0 0
- 3.1524 3.3365 -0.4480 N 0 0 0
- 6.1107 -1.9507 -0.9807 C 0 0 0
- 7.2951 -2.6476 -0.9378 N 0 0 0
- 5.6429 -1.5305 -2.1224 N 0 0 0
- -2.3931 1.3181 0.0000 H 0 0 0
- -0.1230 -0.3761 0.0000 H 0 0 0
- 0.1568 2.8879 0.0000 H 0 0 0
- -1.1718 3.9707 0.0000 H 0 0 0
- -3.1844 0.8311 0.0000 H 0 0 0
- -2.9119 0.5506 0.0000 H 0 0 0
- 2.6098 -0.4282 0.0000 H 0 0 0
- -0.8206 0.6552 0.0000 H 0 0 0
- 0.3072 -0.1628 0.0000 H 0 0 0
- 1.1252 0.9650 0.0000 H 0 0 0
- -5.1359 0.6225 0.0000 H 0 0 0
- 1.8466 1.3203 0.0000 H 0 0 0
- 0.7881 -0.9408 0.0000 H 0 0 0
- -5.2642 0.5361 0.0000 H 0 0 0
- -3.2712 1.9131 0.0000 H 0 0 0
- -2.6528 -2.7785 0.0000 H 0 0 0
- 5.0212 -0.1512 0.0000 H 0 0 0
- 1.7891 2.2597 0.0000 H 0 0 0
- 3.9627 -2.4122 0.0000 H 0 0 0
- -0.0077 -2.8775 0.0000 H 0 0 0
- -5.9349 -1.5810 0.0000 H 0 0 0
- -7.4124 0.2605 0.0000 H 0 0 0
- -3.8847 2.7866 0.0000 H 0 0 0
- -5.2687 2.9462 0.0000 H 0 0 0
- -5.4283 1.5622 0.0000 H 0 0 0
- -4.4479 -3.8611 0.0000 H 0 0 0
- -3.6297 -4.8854 0.0000 H 0 0 0
- 3.1995 -0.6637 0.0000 H 0 0 0
- 5.8171 1.7854 0.0000 H 0 0 0
- 3.0158 -4.2322 0.0000 H 0 0 0
- -6.4182 -3.1725 0.0000 H 0 0 0
- -1.1550 -4.5874 0.0000 H 0 0 0
- 5.0402 -2.6060 0.0000 H 0 0 0
- 3.6322 5.1271 0.0000 H 0 0 0
- 1.9315 4.9892 0.0000 H 0 0 0
- 4.1312 3.2252 0.0000 H 0 0 0
- 7.2870 -3.6327 0.0000 H 0 0 0
- 8.1523 -2.1621 0.0000 H 0 0 0
- 4.9100 -0.8722 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 10 4 1 0
- 11 5 1 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 1 0
- 15 20 1 0
- 16 21 1 0
- 16 22 1 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 1 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 21 30 1 0
- 22 31 1 0
- 23 32 1 0
- 25 33 1 0
- 28 34 1 0
- 29 35 1 0
- 31 36 1 0
- 31 37 2 0
- 35 38 1 0
- 38 39 1 0
- 38 40 2 0
- 6 7 1 0
- 20 25 1 0
- 23 29 1 0
- 1 41 1 0
- 2 42 1 0
- 7 43 1 0
- 8 44 1 0
- 9 45 1 0
- 10 46 1 0
- 11 47 1 0
- 12 48 1 0
- 12 49 1 0
- 12 50 1 0
- 14 51 1 0
- 16 52 1 0
- 17 53 1 0
- 18 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 23 59 1 0
- 24 60 1 0
- 25 61 1 0
- 26 62 1 0
- 27 63 1 0
- 27 64 1 0
- 27 65 1 0
- 28 66 1 0
- 28 67 1 0
- 29 68 1 0
- 30 69 1 0
- 32 70 1 0
- 33 71 1 0
- 34 72 1 0
- 35 73 1 0
- 36 74 1 0
- 36 75 1 0
- 37 76 1 0
- 39 77 1 0
- 39 78 1 0
- 40 79 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58336-35-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 1.3865 -0.0269 -0.1322 C 0 0 0
- 0.1906 -0.7489 -0.2278 C 0 0 0
- 1.3256 1.3488 0.0558 C 0 0 0
- 2.5495 -0.7672 -0.2501 N 0 0 0
- -1.0320 -0.1295 -0.0969 C 0 0 0
- 0.3003 -2.2313 -0.4917 C 0 0 0
- 0.1216 1.9826 0.2027 C 0 0 0
- 2.5726 2.2028 0.0620 C 0 0 0
- 2.5058 -1.8962 0.6756 C 0 0 0
- 3.7154 0.0224 0.1460 C 0 0 0
- -1.0726 1.2601 0.1353 C 0 0 0
- -2.1853 -0.8267 -0.1858 O 0 0 0
- 1.3070 -2.8088 0.5031 C 0 0 0
- 3.7082 1.3795 -0.5609 C 0 0 0
- -2.3702 1.9162 0.2949 C 0 0 0
- -3.3791 -0.2294 -0.0462 C 0 0 0
- -3.4915 1.1539 0.1997 C 0 0 0
- -4.3919 -0.9001 -0.1352 O 0 0 0
- -0.7257 -2.1030 0.0000 H 0 0 0
- -0.0275 -3.2119 0.0000 H 0 0 0
- 0.0908 3.0161 0.0000 H 0 0 0
- 3.2710 2.9652 0.0000 H 0 0 0
- 1.8949 2.9837 0.0000 H 0 0 0
- 2.9282 -2.8399 0.0000 H 0 0 0
- 3.5209 -1.6998 0.0000 H 0 0 0
- 4.1167 -0.9305 0.0000 H 0 0 0
- 4.7284 0.2298 0.0000 H 0 0 0
- 0.6780 -3.6295 0.0000 H 0 0 0
- 2.0369 -3.5411 0.0000 H 0 0 0
- 4.7204 1.1684 0.0000 H 0 0 0
- 4.1264 2.3251 0.0000 H 0 0 0
- -2.4368 2.9480 0.0000 H 0 0 0
- -4.4242 1.6002 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 11 15 1 0
- 12 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 11 1 0
- 9 13 1 0
- 10 14 1 0
- 16 17 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-85-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5978 -0.0501 -0.0018 C 0 0 0
- -0.7365 -0.6491 -0.0011 C 0 0 0
- 0.7506 1.4492 0.0002 C 0 0 0
- 1.6799 -0.8311 0.0014 C 0 0 0
- -1.7203 0.0609 0.0010 O 0 0 0
- -0.8429 -1.6926 0.0000 H 0 0 0
- 1.7941 1.3429 0.0000 H 0 0 0
- 0.8569 2.4927 0.0000 H 0 0 0
- -0.2929 1.5555 0.0000 H 0 0 0
- 1.5735 -1.8746 0.0000 H 0 0 0
- 2.6368 -0.4015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132742-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.5437 0.0178 0.0482 C 0 0 0
- -0.7552 0.5565 0.0345 C 0 0 0
- 1.6606 0.8790 0.0938 C 0 0 0
- 0.7261 -1.3851 0.0105 C 0 0 0
- -1.8756 -0.3032 -0.0151 C 0 0 0
- -0.9339 1.9583 0.0699 C 0 0 0
- 3.0128 0.2880 0.1021 C 0 0 0
- 1.4691 2.2569 0.1279 C 0 0 0
- 2.0855 -1.9347 0.0364 C 0 0 0
- -0.3901 -2.2202 -0.0467 C 0 0 0
- -3.1770 0.2515 -0.0269 C 0 0 0
- -1.6750 -1.6899 -0.0521 C 0 0 0
- 0.1842 2.7954 0.1174 C 0 0 0
- -2.2945 2.4918 0.0566 C 0 0 0
- 3.1652 -1.1138 0.0938 C 0 0 0
- 4.1546 1.1148 0.1355 C 0 0 0
- -3.3648 1.6196 0.0085 C 0 0 0
- -4.3558 -0.6481 -0.0784 N 0 3 0
- 4.5501 -1.7087 0.1599 C 0 0 0
- 5.3700 0.6175 -0.1637 C 0 0 0
- -5.2622 -0.4201 -0.8594 O 0 0 0
- -4.4270 -1.7717 0.7804 O 0 5 0
- 5.5336 -0.8154 -0.5939 C 0 0 0
- 2.3048 2.9002 0.0000 H 0 0 0
- 2.2253 -2.9800 0.0000 H 0 0 0
- -0.2581 -3.2665 0.0000 H 0 0 0
- -2.5072 -2.3378 0.0000 H 0 0 0
- 0.0549 3.8421 0.0000 H 0 0 0
- -2.4574 3.5338 0.0000 H 0 0 0
- 4.0292 2.1620 0.0000 H 0 0 0
- -4.3460 2.0062 0.0000 H 0 0 0
- 4.0004 -2.6087 0.0000 H 0 0 0
- 5.3629 -2.3807 0.0000 H 0 0 0
- 6.2108 1.2541 0.0000 H 0 0 0
- 6.0663 -1.7256 0.0000 H 0 0 0
- 6.5342 -0.4821 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2782-57-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 0.0001 -1.7244 -0.0020 C 0 0 0
- -1.1497 -1.0593 -0.0013 N 0 0 0
- 1.1496 -1.0594 -0.0015 N 0 0 0
- 0.0000 -3.0774 0.0024 O 0 0 0
- -1.1473 0.2633 -0.0001 C 0 0 0
- 1.1473 0.2634 -0.0003 C 0 0 0
- 0.0001 0.9244 0.0004 N 0 0 0
- -2.6496 1.1333 0.0003 Cl 0 0 0
- 2.6496 1.1334 0.0004 Cl 0 0 0
- -0.0001 -4.0734 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 7 2 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-72-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.8330 0.2677 0.0852 C 0 0 0
- -0.5634 -1.1172 0.0625 C 0 0 0
- 0.2794 1.2270 0.2231 C 0 0 0
- -2.1474 0.7176 -0.0285 C 0 0 0
- 0.8299 -1.5913 0.1766 C 0 0 0
- -1.6100 -2.0240 -0.0681 C 0 0 0
- 1.6681 0.7550 0.0280 C 0 0 0
- 0.0578 2.3913 0.4933 O 0 0 0
- -3.1867 -0.2114 -0.1644 C 0 0 0
- -2.4182 2.0463 -0.0073 O 0 0 0
- 1.9376 -0.6257 0.0054 C 0 0 0
- 1.0643 -2.7613 0.4082 O 0 0 0
- -2.9127 -1.5685 -0.1760 C 0 0 0
- 2.7084 1.6638 -0.1340 C 0 0 0
- -4.4689 0.2203 -0.2761 O 0 0 0
- 3.2425 -1.0707 -0.1787 C 0 0 0
- 4.0012 1.2042 -0.3161 C 0 0 0
- 4.2662 -0.1531 -0.3386 C 0 0 0
- -1.4152 -3.0433 0.0000 H 0 0 0
- -2.6254 3.0632 0.0000 H 0 0 0
- -3.6951 -2.2503 0.0000 H 0 0 0
- 2.5142 2.6832 0.0000 H 0 0 0
- -5.4524 0.5514 0.0000 H 0 0 0
- 3.4498 -2.0876 0.0000 H 0 0 0
- 4.7875 1.8815 0.0000 H 0 0 0
- 5.2501 -0.4831 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 6 19 1 0
- 10 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-162050-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.0931 0.0216 0.0055 C 0 0 0
- 0.7505 -1.1585 0.0051 O 0 0 0
- 1.0388 1.0306 0.0024 C 0 0 0
- -1.3072 0.1939 0.0032 C 0 0 0
- 2.0706 -0.9339 0.0019 C 0 0 0
- 2.2928 0.4006 0.0001 C 0 0 0
- 0.7346 2.7397 0.0010 Cl 0 0 0
- -2.2144 -1.0094 0.0006 C 0 0 0
- -1.7816 1.3121 0.0034 O 0 0 0
- 3.1192 -1.9787 0.0000 N 0 3 0
- 3.8404 1.1870 -0.0041 Cl 0 0 0
- -4.0890 -0.4168 -0.0021 Br 0 0 0
- 2.8060 -3.1558 0.0010 O 0 0 0
- 4.2951 -1.6613 -0.0024 O 0 5 0
- -2.6399 -1.9637 0.0000 H 0 0 0
- -1.3143 -1.5401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 2 0
- 10 14 1 0
- 5 6 2 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-959-23-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.2496 1.3526 -0.0038 C 0 0 0
- -0.9326 0.4910 -0.0033 C 0 0 0
- 0.1205 2.5633 0.0002 O 0 0 0
- 1.5996 0.7540 -0.0028 C 0 0 0
- -2.1669 1.0383 0.0014 C 0 0 0
- 2.7302 1.5754 -0.0032 C 0 0 0
- 1.7499 -0.6358 0.0043 C 0 0 0
- -3.3559 0.1717 0.0019 C 0 0 0
- 3.9873 1.0132 -0.0019 C 0 0 0
- 3.0102 -1.1899 0.0056 C 0 0 0
- -4.6362 0.7348 0.0068 C 0 0 0
- -3.2118 -1.2199 -0.0085 C 0 0 0
- 4.1325 -0.3692 -0.0001 C 0 0 0
- -5.7456 -0.0843 0.0067 C 0 0 0
- -4.3308 -2.0250 -0.0085 C 0 0 0
- 5.3732 -0.9193 0.0007 O 0 0 0
- -5.5945 -1.4599 0.0017 C 0 0 0
- 5.1962 -2.3373 0.0025 C 0 0 0
- -0.8221 -0.5456 0.0000 H 0 0 0
- -2.2774 2.0749 0.0000 H 0 0 0
- 2.6221 2.6123 0.0000 H 0 0 0
- 0.9089 -1.2518 0.0000 H 0 0 0
- 4.8312 1.6252 0.0000 H 0 0 0
- 3.1232 -2.2263 0.0000 H 0 0 0
- -4.7515 1.7709 0.0000 H 0 0 0
- -2.2607 -1.6469 0.0000 H 0 0 0
- -6.7006 0.3338 0.0000 H 0 0 0
- -4.2251 -3.0621 0.0000 H 0 0 0
- -6.4370 -2.0740 0.0000 H 0 0 0
- 4.1617 -2.2082 0.0000 H 0 0 0
- 5.0671 -3.3718 0.0000 H 0 0 0
- 6.2307 -2.4664 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 18 16 1 0
- 10 13 1 0
- 15 17 1 0
- 2 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6393-01-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.1765 0.7340 0.0016 C 0 0 0
- -1.2207 -0.6537 0.0006 C 0 0 0
- 0.0411 1.3861 0.0016 C 0 0 0
- -2.4569 1.5288 -0.0035 C 0 0 0
- -0.0408 -1.3861 -0.0004 C 0 0 0
- -2.4549 -1.3146 0.0010 N 0 0 0
- 1.2207 0.6539 0.0006 C 0 0 0
- 1.1764 -0.7342 -0.0004 C 0 0 0
- 2.4548 1.3148 0.0002 N 0 0 0
- 2.4568 -1.5290 -0.0015 C 0 0 0
- 0.0743 2.4271 0.0000 H 0 0 0
- -1.9076 2.4137 0.0000 H 0 0 0
- -3.3418 2.0781 0.0000 H 0 0 0
- -3.0062 0.6439 0.0000 H 0 0 0
- -0.0740 -2.4271 0.0000 H 0 0 0
- -3.3398 -0.7652 0.0000 H 0 0 0
- -2.4882 -2.3556 0.0000 H 0 0 0
- 3.3397 0.7655 0.0000 H 0 0 0
- 2.4881 2.3558 0.0000 H 0 0 0
- 1.9075 -2.4139 0.0000 H 0 0 0
- 3.3417 -2.0783 0.0000 H 0 0 0
- 3.0061 -0.6441 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 7 8 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-23-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2559 0.6961 -0.4569 C 0 0 0
- 0.7304 -0.5331 -0.0393 C 0 0 0
- 1.0855 1.8019 -0.4325 C 0 0 0
- -1.1637 0.8296 -0.9447 C 0 0 0
- 2.0345 -0.6568 0.4028 C 0 0 0
- -0.1576 -1.7171 -0.0658 N 0 3 0
- 2.3892 1.6782 0.0095 C 0 0 0
- -2.2422 1.2235 0.4454 Cl 0 0 0
- 2.8636 0.4487 0.4276 C 0 0 0
- -0.4229 -2.3026 0.9687 O 0 0 0
- -0.6229 -2.1058 -1.1222 O 0 5 0
- 0.6859 2.7057 0.0000 H 0 0 0
- -1.8645 0.1329 0.0000 H 0 0 0
- -0.8301 -0.1006 0.0000 H 0 0 0
- 2.4342 -1.5606 0.0000 H 0 0 0
- 2.9861 2.4657 0.0000 H 0 0 0
- 3.8425 0.3131 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 9 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99346-49-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -4.2424 -0.9427 -0.3564 N 0 0 0
- -5.1849 0.0173 -0.4567 C 0 0 0
- -3.0945 -0.6937 0.3014 C 0 0 0
- -4.9404 1.3255 0.1575 C 0 0 0
- -6.2254 -0.2003 -1.0495 O 0 0 0
- -2.8662 0.5050 0.8668 N 0 0 0
- -2.2515 -1.5659 0.3860 O 0 0 0
- -3.8166 1.5298 0.7866 N 0 0 0
- 8.3769 -0.9389 -0.0778 C 0 0 0
- 7.3080 0.1498 -0.1916 C 0 0 0
- 9.5237 -0.4218 0.6807 N 0 0 0
- 7.8537 1.2844 -0.8676 O 0 0 0
- -4.5126 -1.8467 0.0000 H 0 0 0
- -5.6059 1.9943 0.0000 H 0 0 0
- -1.9594 0.7655 0.0000 H 0 0 0
- 7.6308 -1.5164 0.0000 H 0 0 0
- 8.8629 -1.7476 0.0000 H 0 0 0
- 6.5105 0.6539 0.0000 H 0 0 0
- 6.7154 -0.5843 0.0000 H 0 0 0
- 10.2896 -0.9728 0.0000 H 0 0 0
- 9.6179 0.5170 0.0000 H 0 0 0
- 8.2626 2.1347 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 9 10 1 0
- 9 11 1 0
- 10 12 1 0
- 6 8 1 0
- 1 13 1 0
- 4 14 1 0
- 6 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-844-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.3496 0.1734 0.9185 C 0 0 0
- -0.0289 0.2807 2.0106 S 0 0 0
- 1.7856 1.3010 0.2386 C 0 0 0
- 2.0003 -1.0326 0.7433 C 0 0 0
- -1.3379 -0.0788 0.8872 C 0 0 0
- 0.0811 -0.9729 2.6706 O 0 0 0
- 2.8721 1.2141 -0.6208 C 0 0 0
- 1.1493 2.4897 0.4135 O 0 0 0
- 3.0833 -1.1179 -0.1138 C 0 0 0
- -2.2250 0.9193 0.5136 C 0 0 0
- -1.4776 -1.3542 0.3738 C 0 0 0
- 3.5171 0.0041 -0.7972 C 0 0 0
- 3.4201 2.6233 -1.4737 Cl 0 0 0
- 3.8989 -2.6348 -0.3318 Cl 0 0 0
- -3.2557 0.6335 -0.3717 C 0 0 0
- -2.0860 2.1757 1.0138 O 0 0 0
- -2.5049 -1.6375 -0.5082 C 0 0 0
- -3.3952 -0.6447 -0.8785 C 0 0 0
- -4.3685 1.8805 -0.8412 Cl 0 0 0
- -2.6777 -3.2406 -1.1515 Cl 0 0 0
- 1.4545 -1.8707 0.0000 H 0 0 0
- 0.6773 3.3715 0.0000 H 0 0 0
- -0.7161 -2.0026 0.0000 H 0 0 0
- 4.5154 0.0645 0.0000 H 0 0 0
- -1.9760 3.1698 0.0000 H 0 0 0
- -4.3473 -0.9509 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 2 0
- 15 18 2 0
- 15 19 1 0
- 17 20 1 0
- 9 12 2 0
- 17 18 1 0
- 4 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 16 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25956-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 48 1 V2000
- -4.2813 0.8386 0.4323 C 0 0 0
- -5.3885 1.4469 1.0723 C 0 0 0
- -3.8178 -0.4642 0.9082 C 0 0 0
- -3.6590 1.4879 -0.6399 C 0 0 0
- -5.8390 2.6987 0.6200 C 0 0 0
- -6.0164 0.7900 2.1455 C 0 0 0
- -2.7582 -1.0815 0.3213 N 0 0 0
- -4.4878 -1.0602 1.9796 C 0 0 0
- -4.1256 2.6995 -1.0568 C 0 0 0
- -5.2070 3.3057 -0.4226 C 0 0 0
- -5.5737 -0.4211 2.5757 C 0 0 0
- -1.8048 -1.5569 1.0487 N 0 0 0
- -4.0795 -2.2687 2.4420 O 0 0 0
- -5.7756 4.8751 -0.9870 S 0 0 0
- -0.7410 -2.1766 0.4596 C 0 0 0
- -5.0532 5.8406 -0.2352 O 0 0 0
- -5.8024 4.7888 -2.4051 O 0 0 0
- -7.2278 5.0157 -0.5537 O 0 0 0
- 0.2984 -2.6953 1.2468 C 0 0 0
- -0.6831 -2.3035 -0.9310 C 0 0 0
- 1.3730 -3.3221 0.6382 C 0 0 0
- 0.2510 -2.5827 2.5990 O 0 0 0
- 0.3946 -2.9307 -1.5194 C 0 0 0
- 1.4205 -3.4358 -0.7387 C 0 0 0
- 1.4362 -3.1991 3.1065 C 0 0 0
- 0.4559 -3.0675 -3.0190 C 0 0 0
- 2.7919 -4.2343 -1.5045 S 0 0 0
- 2.3063 -5.4936 -1.9492 O 0 0 0
- 3.4008 -3.2499 -2.3288 O 0 0 0
- 3.8058 -4.5443 -0.4126 O 0 0 0
- 15.2415 3.1252 0.1884 Na 0 3 0
- 23.5454 5.4938 0.8481 Na 0 3 0
- -2.7555 1.3064 0.0000 H 0 0 0
- -6.7363 2.9088 0.0000 H 0 0 0
- -6.9184 0.9787 0.0000 H 0 0 0
- -3.4290 3.3028 0.0000 H 0 0 0
- -6.2817 -1.0110 0.0000 H 0 0 0
- -3.7845 -3.1418 0.0000 H 0 0 0
- -1.3662 -2.9221 0.0000 H 0 0 0
- 2.0663 -2.7150 0.0000 H 0 0 0
- 1.0110 -4.0167 0.0000 H 0 0 0
- 2.2538 -3.6243 0.0000 H 0 0 0
- 1.8614 -2.3815 0.0000 H 0 0 0
- -0.3851 -3.4443 0.0000 H 0 0 0
- 0.8327 -3.9085 0.0000 H 0 0 0
- 1.2969 -2.6907 0.0000 H 0 0 0
- -8.1451 5.1045 0.0000 H 0 0 0
- 4.6871 -4.8137 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 19 21 2 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 27 28 2 0
- 27 29 2 0
- 27 30 1 0
- 8 11 2 0
- 9 10 1 0
- 23 24 2 0
- 4 33 1 0
- 5 34 1 0
- 6 35 1 0
- 9 36 1 0
- 11 37 1 0
- 13 38 1 0
- 20 39 1 0
- 21 40 1 0
- 25 41 1 0
- 25 42 1 0
- 25 43 1 0
- 26 44 1 0
- 26 45 1 0
- 26 46 1 0
- 18 47 1 0
- 30 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2415-85-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- -0.2232 -1.2169 0.1123 N 0 0 0
- -1.2965 -0.4031 0.0670 C 0 0 0
- 1.0668 -0.6773 0.0586 C 0 0 0
- -2.6827 -0.9882 -0.0185 C 0 0 0
- -1.1468 0.8002 0.0951 O 0 0 0
- 2.1690 -1.5170 -0.0308 C 0 0 0
- 1.2470 0.6996 0.0889 C 0 0 0
- -3.6967 0.1260 -0.0556 C 0 0 0
- 3.4411 -0.9811 -0.0841 C 0 0 0
- 2.5212 1.2290 0.0352 C 0 0 0
- -5.1665 -0.1955 -0.1414 C 0 0 0
- -3.3315 1.2764 -0.0166 O 0 0 0
- 3.6174 0.3898 -0.0485 C 0 0 0
- 5.0066 0.9709 -0.1063 C 0 0 0
- -0.3539 -2.2466 0.0000 H 0 0 0
- -3.5242 -1.5958 0.0000 H 0 0 0
- -2.1738 -1.8928 0.0000 H 0 0 0
- 2.0384 -2.5467 0.0000 H 0 0 0
- 0.4230 1.3307 0.0000 H 0 0 0
- 4.2674 -1.6092 0.0000 H 0 0 0
- 2.6555 2.2582 0.0000 H 0 0 0
- -5.3883 0.8185 0.0000 H 0 0 0
- -6.1805 -0.4173 0.0000 H 0 0 0
- -4.9447 -1.2095 0.0000 H 0 0 0
- 5.4071 0.0134 0.0000 H 0 0 0
- 5.9641 1.3714 0.0000 H 0 0 0
- 4.6061 1.9284 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 1 0
- 12 8 2 0
- 13 9 2 0
- 14 13 1 0
- 10 13 1 0
- 1 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13360-63-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.0192 -0.4832 0.0000 C 0 0 0
- -1.2413 0.3841 0.0000 C 0 0 0
- 1.2076 0.3803 0.0000 N 0 0 0
- -2.4791 -0.5152 0.0000 C 0 0 0
- 2.3762 -0.5099 0.0000 C 0 0 0
- -3.7396 0.3520 0.0000 C 0 0 0
- 3.6560 0.3286 0.0000 C 0 0 0
- -0.7339 -1.3490 0.0000 H 0 0 0
- 0.7943 -1.3293 0.0000 H 0 0 0
- -0.4882 1.2499 0.0000 H 0 0 0
- -2.0164 1.2303 0.0000 H 0 0 0
- 1.2206 1.5277 0.0000 H 0 0 0
- -3.2322 -1.3810 0.0000 H 0 0 0
- -1.7040 -1.3614 0.0000 H 0 0 0
- 1.5821 -1.3383 0.0000 H 0 0 0
- 3.1095 -1.3925 0.0000 H 0 0 0
- -3.0892 1.2974 0.0000 H 0 0 0
- -4.6850 1.0024 0.0000 H 0 0 0
- -4.3900 -0.5934 0.0000 H 0 0 0
- 4.2849 -0.6312 0.0000 H 0 0 0
- 4.6158 0.9575 0.0000 H 0 0 0
- 3.0271 1.2884 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2645-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.1870 -0.6494 -0.0045 C 0 0 0
- -1.1979 -1.6121 -0.0037 C 0 0 0
- -0.5221 0.7054 -0.0031 C 0 0 0
- 1.2324 -1.0631 -0.0006 C 0 0 0
- -2.5201 -1.2193 -0.0016 C 0 0 0
- -1.8487 1.0848 -0.0009 C 0 0 0
- 2.2060 -0.1312 -0.0014 N 0 0 0
- 1.5212 -2.2438 0.0032 O 0 0 0
- -2.8455 0.1256 -0.0001 C 0 0 0
- 3.6124 -0.5412 0.0024 C 0 0 0
- -4.2665 0.5399 0.0017 N 0 3 0
- 4.4923 0.6823 0.0007 C 0 0 0
- -4.5560 1.7230 0.0029 O 0 0 0
- -5.1464 -0.3023 0.0019 O 0 5 0
- 5.8279 0.5484 0.0036 O 0 0 0
- 3.9955 1.7837 -0.0033 O 0 0 0
- -0.9555 -2.6195 0.0000 H 0 0 0
- 0.2237 1.4248 0.0000 H 0 0 0
- -3.2714 -1.9329 0.0000 H 0 0 0
- -2.0988 2.0903 0.0000 H 0 0 0
- 1.9598 0.8753 0.0000 H 0 0 0
- 3.2118 -1.4968 0.0000 H 0 0 0
- 4.5166 -1.0472 0.0000 H 0 0 0
- 6.8589 0.4450 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 6 9 2 0
- 2 17 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 10 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60692-90-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.1154 -0.3448 -0.1046 C 0 0 0
- -0.0182 -1.7190 -0.1918 C 0 0 0
- 1.0786 0.5303 -0.0864 C 0 0 0
- -1.4015 0.2500 -0.0238 C 0 0 0
- 1.3392 -2.3787 -0.2718 C 0 0 0
- -1.1609 -2.5147 -0.2068 C 0 0 0
- 2.3697 0.0150 -0.1550 C 0 0 0
- 0.8996 1.9145 0.0029 C 0 0 0
- -2.5523 -0.5728 -0.0357 C 0 0 0
- -1.5483 1.6418 0.0681 C 0 0 0
- 2.5826 -1.4771 -0.2520 C 0 0 0
- 2.0685 -2.1026 0.9256 O 0 0 0
- -2.4049 -1.9671 -0.1366 C 0 0 0
- 3.4587 0.8612 -0.1358 C 0 0 0
- 1.9942 2.7524 0.0214 C 0 0 0
- -3.8241 0.0210 0.0447 C 0 0 0
- -2.7956 2.1840 0.1447 C 0 0 0
- 3.2730 2.2297 -0.0475 C 0 0 0
- -3.9301 1.3753 0.1329 C 0 0 0
- 1.2920 -3.4220 0.0000 H 0 0 0
- -1.0600 -3.5541 0.0000 H 0 0 0
- -0.0645 2.3158 0.0000 H 0 0 0
- -0.7062 2.2595 0.0000 H 0 0 0
- 3.5882 -1.7588 0.0000 H 0 0 0
- -3.2483 -2.5830 0.0000 H 0 0 0
- 4.4255 0.4664 0.0000 H 0 0 0
- 1.8561 3.7876 0.0000 H 0 0 0
- -4.6824 -0.5739 0.0000 H 0 0 0
- -2.9047 3.2226 0.0000 H 0 0 0
- 4.0988 2.8690 0.0000 H 0 0 0
- -4.8764 1.8170 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 14 18 1 0
- 16 19 2 0
- 7 11 1 0
- 9 13 1 0
- 11 12 1 0
- 15 18 2 0
- 17 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -0.0006 1.3294 -0.0334 C 0 0 0
- -0.6963 0.1090 -0.0316 C 0 0 0
- 1.3974 1.3273 -0.0323 C 0 0 0
- -0.7392 2.6030 -0.0424 C 0 0 0
- 0.0116 -1.0854 -0.0288 C 0 0 0
- -2.0847 0.0973 -0.0321 N 0 0 0
- 2.0827 0.1328 -0.0296 C 0 0 0
- -0.0742 3.7686 0.0831 O 0 0 0
- -1.9485 2.6033 -0.1630 O 0 0 0
- 1.3930 -1.0710 -0.0279 C 0 0 0
- -2.8064 -1.1775 -0.0303 C 0 0 0
- 3.8447 0.1334 -0.0283 S 0 0 0
- 2.2713 -2.5684 -0.0238 Cl 0 0 0
- -4.2903 -0.9147 -0.0313 C 0 0 0
- 4.3390 -0.6540 1.3421 N 0 0 0
- 4.2318 -0.6991 -1.1129 O 0 0 0
- 4.2302 1.4900 0.1456 O 0 0 0
- -5.0645 -0.7792 -1.1230 C 0 0 0
- -5.0652 -0.7816 1.0575 O 0 0 0
- -6.3814 -0.5452 -0.6648 C 0 0 0
- -6.3339 -0.5553 0.6794 C 0 0 0
- 1.9185 2.2254 0.0000 H 0 0 0
- -0.4977 -1.9902 0.0000 H 0 0 0
- -2.6114 0.9921 0.0000 H 0 0 0
- 0.4403 4.6705 0.0000 H 0 0 0
- -3.1019 -2.1729 0.0000 H 0 0 0
- -1.8508 -1.5836 0.0000 H 0 0 0
- 3.8534 -1.5718 0.0000 H 0 0 0
- 5.3766 -0.6156 0.0000 H 0 0 0
- -5.2448 -1.8017 0.0000 H 0 0 0
- -7.4005 -0.3464 0.0000 H 0 0 0
- -6.5331 -1.5743 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 12 17 2 0
- 14 18 2 0
- 14 19 1 0
- 18 20 1 0
- 19 21 1 0
- 7 10 2 0
- 20 21 2 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 11 27 1 0
- 15 28 1 0
- 15 29 1 0
- 18 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89415-69-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.6688 -0.3331 -0.0007 C 0 0 0
- -0.6688 0.3331 0.0001 C 0 0 0
- 1.7904 0.4100 0.0002 O 0 0 0
- 0.7433 -1.5433 0.0029 O 0 0 0
- -1.7904 -0.4100 -0.0008 O 0 0 0
- -0.7433 1.5433 0.0016 O 0 0 0
- 3.0901 -0.2373 -0.0006 C 0 0 0
- -3.0901 0.2373 0.0000 C 0 0 0
- 4.1897 0.8266 0.0007 C 0 0 0
- -4.1897 -0.8266 -0.0012 C 0 0 0
- 5.9495 -0.0498 -0.0004 Br 0 0 0
- -5.9495 0.0498 -0.0002 Br 0 0 0
- 2.4976 -1.1510 0.0000 H 0 0 0
- 3.9309 -0.9293 0.0000 H 0 0 0
- -2.4976 1.1510 0.0000 H 0 0 0
- -3.9309 0.9293 0.0000 H 0 0 0
- 4.7822 1.7403 0.0000 H 0 0 0
- 3.3489 1.5186 0.0000 H 0 0 0
- -4.7822 -1.7403 0.0000 H 0 0 0
- -3.3489 -1.5186 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 2 2 0
- 7 3 1 0
- 8 5 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -1.9174 0.9158 0.3166 C 0 0 0
- -2.2329 -0.5387 0.3999 C 0 0 0
- -2.3473 0.1727 -0.8301 O 0 0 0
- -0.4921 1.3638 0.1369 C 0 0 0
- -1.1132 -1.5399 0.3657 C 0 0 0
- 0.5250 0.3006 0.5323 C 0 0 0
- 0.1751 -0.9855 -0.2288 C 0 0 0
- 1.9277 0.7635 0.1336 C 0 0 0
- 2.9491 -0.3042 0.5306 C 0 0 0
- 2.4815 -0.1543 -0.8114 O 0 0 0
- -2.5912 1.7569 0.0000 H 0 0 0
- -3.1785 -1.0557 0.0000 H 0 0 0
- 0.3910 1.9815 0.0000 H 0 0 0
- -0.9681 2.3307 0.0000 H 0 0 0
- -1.9401 -2.2311 0.0000 H 0 0 0
- -0.5487 -2.4579 0.0000 H 0 0 0
- 1.3070 -0.4409 0.0000 H 0 0 0
- 0.3706 -2.0453 0.0000 H 0 0 0
- 1.2519 -1.0304 0.0000 H 0 0 0
- 2.1885 1.8092 0.0000 H 0 0 0
- 3.0004 -1.3807 0.0000 H 0 0 0
- 3.9394 0.1209 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 8 9 1 0
- 8 10 1 0
- 2 3 1 0
- 6 7 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26921-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 57 1 V2000
- -4.7646 -2.6655 -0.2863 C 0 0 0
- -5.3834 -1.4423 -0.4710 C 0 0 0
- -3.6855 -2.8078 0.5953 N 0 0 0
- -5.2314 -3.6932 -0.9663 N 0 0 0
- -4.9661 -0.3332 0.1971 O 0 0 0
- -6.3910 -1.3905 -1.3164 N 0 0 0
- -2.5697 -3.3544 -0.1880 C 0 0 0
- -4.0665 -3.8432 1.5651 C 0 0 0
- -6.5141 -3.0053 -1.8614 S 0 0 0
- -5.8092 0.7422 -0.2207 C 0 0 0
- -1.4091 -3.6985 0.7465 C 0 0 0
- -2.8685 -4.1751 2.4557 C 0 0 0
- -5.3909 2.0268 0.4975 C 0 0 2
- -1.8131 -4.7167 1.6618 O 0 0 0
- -6.2936 3.1783 0.0502 C 0 0 0
- -4.0331 2.3327 0.1741 O 0 0 0
- -5.8920 4.4116 0.7398 N 0 0 0
- -6.7931 5.4716 0.2681 C 0 0 0
- -6.6511 5.6246 -1.2476 C 0 0 0
- -8.2379 5.1024 0.6103 C 0 0 0
- -6.4287 6.7917 0.9503 C 0 0 0
- 13.8179 0.2700 -1.3830 C 0 0 0
- 12.7155 1.0358 -1.4274 C 0 0 0
- 14.1732 -0.4404 -0.1394 C 0 0 0
- 12.2408 1.7172 -0.2076 C 0 0 0
- 15.3607 -1.0692 -0.0384 O 0 0 0
- 13.3953 -0.4584 0.7931 O 0 0 0
- 11.0140 2.2740 -0.1809 O 0 0 0
- 12.9559 1.7762 0.7723 O 0 0 0
- -3.3134 -3.9167 0.0000 H 0 0 0
- -2.4031 -4.2717 0.0000 H 0 0 0
- -4.9500 -3.5454 0.0000 H 0 0 0
- -4.3400 -4.7345 0.0000 H 0 0 0
- -6.6221 1.1988 0.0000 H 0 0 0
- -6.4161 0.0345 0.0000 H 0 0 0
- -0.5326 -4.0164 0.0000 H 0 0 0
- -1.1175 -2.8129 0.0000 H 0 0 0
- -2.1212 -3.6175 0.0000 H 0 0 0
- -3.0403 -3.2587 0.0000 H 0 0 0
- -6.3090 1.8644 0.0000 H 0 0 0
- -7.1065 3.6349 0.0000 H 0 0 0
- -6.9005 2.4706 0.0000 H 0 0 0
- -3.1236 2.5376 0.0000 H 0 0 0
- -4.9773 4.5921 0.0000 H 0 0 0
- -5.9677 4.9904 0.0000 H 0 0 0
- -6.0169 6.3080 0.0000 H 0 0 0
- -7.3345 6.2588 0.0000 H 0 0 0
- -8.4687 6.0057 0.0000 H 0 0 0
- -9.1412 4.8716 0.0000 H 0 0 0
- -8.0071 4.1991 0.0000 H 0 0 0
- -5.5300 6.5436 0.0000 H 0 0 0
- -6.1806 7.6904 0.0000 H 0 0 0
- -7.3274 7.0398 0.0000 H 0 0 0
- 14.5227 0.8804 0.0000 H 0 0 0
- 12.0567 0.3761 0.0000 H 0 0 0
- 16.1847 -1.5055 0.0000 H 0 0 0
- 10.1650 2.6593 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 18 21 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 25 28 1 0
- 25 29 2 0
- 6 9 1 0
- 12 14 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 10 35 1 0
- 11 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 17 44 1 0
- 19 45 1 0
- 19 46 1 0
- 19 47 1 0
- 20 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 21 53 1 0
- 22 54 1 0
- 23 55 1 0
- 26 56 1 0
- 28 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99520-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 40 1 V2000
- 0.0159 -0.5050 0.0029 C 0 0 0
- -1.3542 -0.6938 0.0020 C 0 0 0
- 0.6463 0.8037 0.0020 C 0 0 0
- 0.9423 -1.5411 -0.0012 C 0 0 0
- -2.1781 0.4418 0.0006 C 0 0 0
- -1.8705 -2.0100 0.0020 C 0 0 0
- 2.0942 0.5151 0.0019 C 0 0 0
- -0.1787 1.8936 0.0012 C 0 0 0
- 2.2676 -0.8930 0.0008 C 0 0 0
- 0.4214 -2.8375 -0.0063 C 0 0 0
- -1.5893 1.7286 0.0007 C 0 0 0
- -3.5765 0.2489 -0.0012 C 0 0 0
- -0.9462 -3.0607 0.0043 C 0 0 0
- -3.2747 -2.1604 -0.0007 C 0 0 0
- 3.2129 1.3421 -0.0006 C 0 0 0
- 3.5592 -1.4187 -0.0012 C 0 0 0
- -2.4529 2.8326 0.0002 C 0 0 0
- -4.0866 -1.0715 -0.0018 C 0 0 0
- -4.3936 1.3828 -0.0020 C 0 0 0
- 4.4851 0.7966 0.0002 C 0 0 0
- 4.6540 -0.5834 0.0005 C 0 0 0
- -3.8210 2.6414 -0.0010 C 0 0 0
- 5.5721 1.6122 -0.0023 O 0 0 0
- 0.2325 2.8576 0.0000 H 0 0 0
- 1.0765 -3.6555 0.0000 H 0 0 0
- -1.2994 -4.0474 0.0000 H 0 0 0
- -3.6941 -3.1209 0.0000 H 0 0 0
- 3.0919 2.3831 0.0000 H 0 0 0
- 3.6978 -2.4575 0.0000 H 0 0 0
- -2.0602 3.8043 0.0000 H 0 0 0
- -5.1250 -1.2136 0.0000 H 0 0 0
- -5.4365 1.2795 0.0000 H 0 0 0
- 5.6199 -0.9902 0.0000 H 0 0 0
- -4.4480 3.4812 0.0000 H 0 0 0
- 6.4104 2.2412 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 12 19 1 0
- 15 20 2 0
- 16 21 2 0
- 17 22 1 0
- 20 23 1 0
- 7 9 2 0
- 8 11 1 0
- 10 13 2 0
- 14 18 2 0
- 19 22 2 0
- 20 21 1 0
- 8 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60564-31-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.6426 -0.4610 0.0267 C 0 0 0
- -2.1170 -0.4365 0.0229 C 0 0 0
- -0.2218 0.8740 -0.0562 C 0 0 0
- 0.2975 -1.4867 0.0974 C 0 0 0
- -2.4932 0.9122 -0.0621 C 0 0 0
- -3.0919 -1.4297 0.0835 C 0 0 0
- -1.3459 1.6833 -0.1086 N 0 0 0
- 1.1395 1.1627 -0.0717 C 0 0 0
- 1.6476 -1.1828 0.0789 C 0 0 0
- -3.8451 1.2426 -0.0856 C 0 0 0
- -4.4253 -1.0827 0.0597 C 0 0 0
- 2.0635 0.1432 -0.0061 C 0 0 0
- 2.5963 -2.2097 0.1501 N 0 0 0
- -4.7990 0.2499 -0.0256 C 0 0 0
- 3.5094 0.4599 -0.0237 N 0 3 0
- 3.9752 1.2258 0.8009 O 0 0 0
- 4.2333 -0.0454 -0.8628 O 0 5 0
- -0.0142 -2.4813 0.0000 H 0 0 0
- -2.8138 -2.4342 0.0000 H 0 0 0
- -1.3291 2.7254 0.0000 H 0 0 0
- 1.4602 2.1544 0.0000 H 0 0 0
- -4.1360 2.2435 0.0000 H 0 0 0
- -5.1553 -1.8266 0.0000 H 0 0 0
- 2.2869 -3.2050 0.0000 H 0 0 0
- 3.6129 -1.9800 0.0000 H 0 0 0
- -5.8099 0.5038 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 15 17 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-746-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.7431 0.1502 -0.0020 C 0 0 0
- -0.7431 0.1503 -0.0017 C 0 0 0
- 1.1920 1.4811 -0.0002 C 0 0 0
- 1.6690 -0.8837 0.0013 C 0 0 0
- -1.1920 1.4812 0.0005 C 0 0 0
- -1.6690 -0.8837 -0.0030 C 0 0 0
- 0.0000 2.3619 0.0014 C 0 0 0
- 2.5554 1.7524 0.0002 C 0 0 0
- 3.0256 -0.5999 -0.0001 C 0 0 0
- 1.2075 -2.2901 0.0070 N 0 3 0
- -2.5554 1.7525 0.0006 C 0 0 0
- -3.0256 -0.5998 -0.0017 C 0 0 0
- -1.2075 -2.2901 -0.0052 N 0 3 0
- 0.0000 3.5762 0.0032 O 0 0 0
- 3.4665 0.7094 -0.0012 C 0 0 0
- 1.0077 -2.8613 1.0640 O 0 0 0
- 1.0274 -2.8762 -1.0455 O 0 5 0
- -3.4665 0.7094 -0.0014 C 0 0 0
- -1.0077 -2.8638 -1.0609 O 0 0 0
- -1.0274 -2.8737 1.0486 O 0 5 0
- 4.9182 0.9985 -0.0013 N 0 3 0
- -4.9182 0.9985 -0.0008 N 0 3 0
- 5.7215 0.0830 -0.0025 O 0 0 0
- 5.3094 2.1520 -0.0001 O 0 5 0
- -5.7215 0.0830 -0.0025 O 0 0 0
- -5.3094 2.1520 0.0015 O 0 5 0
- 2.8905 2.7364 0.0000 H 0 0 0
- 3.7158 -1.3772 0.0000 H 0 0 0
- -2.8905 2.7365 0.0000 H 0 0 0
- -3.7158 -1.3771 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 2 0
- 10 16 2 0
- 10 17 1 0
- 11 18 2 0
- 13 19 2 0
- 13 20 1 0
- 15 21 1 0
- 18 22 1 0
- 21 23 2 0
- 21 24 1 0
- 22 25 2 0
- 22 26 1 0
- 5 7 1 0
- 9 15 1 0
- 12 18 1 0
- 8 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6673-35-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 41 1 V2000
- -0.8447 -0.6527 -0.4912 C 0 0 0
- -1.9596 -1.4321 -0.7644 C 0 0 0
- -0.9976 0.6855 -0.1598 C 0 0 0
- 0.3978 -1.2023 -0.5429 O 0 0 0
- -3.2220 -0.8760 -0.7066 C 0 0 0
- -2.2598 1.2430 -0.1017 C 0 0 0
- 1.3231 -0.1630 -0.2176 C 0 0 0
- -3.3757 0.4637 -0.3749 C 0 0 0
- 2.7483 -0.7180 -0.2578 C 0 0 0
- -4.6565 1.0286 -0.3161 N 0 0 0
- 3.7389 0.3948 0.0904 C 0 0 0
- 2.8727 -1.7803 0.6898 O 0 0 0
- -5.6025 0.4736 0.4671 C 0 0 0
- 5.1073 -0.1380 0.0518 N 0 0 0
- -7.0135 1.0020 0.4340 C 0 0 0
- -5.3183 -0.4513 1.1986 O 0 0 0
- 6.0034 0.9747 0.3935 C 0 0 0
- 7.2523 0.4288 1.0885 C 0 0 0
- 6.4116 1.7115 -0.8838 C 0 0 0
- -1.8600 -2.4495 0.0000 H 0 0 0
- -0.1742 1.2913 0.0000 H 0 0 0
- -4.0450 -1.4824 0.0000 H 0 0 0
- -2.3587 2.2605 0.0000 H 0 0 0
- 1.8042 0.7389 0.0000 H 0 0 0
- 0.4845 0.4216 0.0000 H 0 0 0
- 3.7232 -1.0254 0.0000 H 0 0 0
- -4.7153 2.0492 0.0000 H 0 0 0
- 4.2200 1.2968 0.0000 H 0 0 0
- 2.9002 0.9793 0.0000 H 0 0 0
- 2.9916 -2.7956 0.0000 H 0 0 0
- 5.3708 -1.1257 0.0000 H 0 0 0
- -6.6550 1.9593 0.0000 H 0 0 0
- -7.9708 1.3605 0.0000 H 0 0 0
- -7.3720 0.0447 0.0000 H 0 0 0
- 5.1551 1.5451 0.0000 H 0 0 0
- 6.8429 -0.5079 0.0000 H 0 0 0
- 8.1890 0.0194 0.0000 H 0 0 0
- 7.6617 1.3655 0.0000 H 0 0 0
- 7.3058 1.2161 0.0000 H 0 0 0
- 6.9070 2.6057 0.0000 H 0 0 0
- 5.5174 2.2069 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 6 8 2 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 15 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93261-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -0.4801 -0.2794 -0.0024 C 0 0 0
- -1.6342 0.5501 -0.0291 C 0 0 0
- 0.6137 0.5814 -0.0068 C 0 0 0
- -0.4482 -1.7584 0.0301 C 0 0 0
- -1.1936 1.8378 -0.0479 C 0 0 0
- -3.0475 0.0988 -0.0349 C 0 0 0
- 0.1440 1.8469 -0.0345 O 0 0 0
- 1.9697 0.2000 0.0146 C 0 0 0
- 0.1782 -2.4685 -0.9953 C 0 0 0
- -1.0390 -2.4489 1.0889 C 0 0 0
- -2.0584 3.0389 -0.0792 N 0 3 0
- -3.9075 0.4793 0.9937 C 0 0 0
- -3.5215 -0.7022 -1.0717 C 0 0 0
- 3.0486 1.2521 0.0064 C 0 0 0
- 2.2693 -0.9772 0.0396 O 0 0 0
- 0.2049 -3.8472 -0.9589 C 0 0 0
- -1.0053 -3.8280 1.1135 C 0 0 0
- -1.5581 4.1493 -0.0941 O 0 0 0
- -3.2702 2.9168 -0.0900 O 0 5 0
- -5.2210 0.0567 0.9833 C 0 0 0
- -4.8374 -1.1192 -1.0720 C 0 0 0
- 4.8117 0.3830 0.0412 Br 0 0 0
- -0.3875 -4.5262 0.0913 C 0 0 0
- -5.6848 -0.7433 -0.0457 C 0 0 0
- 1.1256 -2.0998 0.0000 H 0 0 0
- -1.9968 -2.1083 0.0000 H 0 0 0
- -3.8540 1.4945 0.0000 H 0 0 0
- -2.8889 -1.4980 0.0000 H 0 0 0
- 3.5983 2.1072 0.0000 H 0 0 0
- 2.2611 1.8950 0.0000 H 0 0 0
- 1.1602 -4.1948 0.0000 H 0 0 0
- -1.9514 -4.1998 0.0000 H 0 0 0
- -5.8589 0.8482 0.0000 H 0 0 0
- -4.8936 -2.1342 0.0000 H 0 0 0
- -0.3839 -5.5428 0.0000 H 0 0 0
- -6.6517 -1.0572 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 8 14 1 0
- 8 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 2 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 14 22 1 0
- 16 23 1 0
- 20 24 1 0
- 5 7 1 0
- 17 23 2 0
- 21 24 2 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 21 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88598-56-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- 0.5829 -0.6558 0.0005 C 0 0 0
- -0.8144 -0.8097 -0.0101 C 0 0 0
- 1.1463 0.6365 0.0131 C 0 0 0
- 1.4148 -1.7977 -0.0073 C 0 0 0
- -1.6433 0.3344 -0.0087 C 0 0 0
- -1.3758 -2.1063 -0.0227 C 0 0 0
- 2.5434 0.7792 0.0237 C 0 0 0
- 0.2929 1.7676 0.0154 C 0 0 0
- 2.7958 -1.6153 0.0051 C 0 0 0
- 0.8253 -3.0856 -0.0265 C 0 0 0
- -3.0297 0.1607 -0.0193 C 0 0 0
- -1.0517 1.6211 0.0029 C 0 0 0
- -0.5190 -3.2342 -0.0255 C 0 0 0
- -2.7665 -2.2370 -0.0329 C 0 0 0
- 3.3473 -0.3388 0.0256 C 0 0 0
- 3.0982 2.1800 0.0246 C 0 0 0
- -3.5682 -1.1114 -0.0310 C 0 0 0
- -3.9228 1.3416 -0.0175 N 0 3 0
- 4.8527 -0.2470 0.0478 C 0 0 0
- 4.5601 2.1810 0.4653 C 0 0 0
- -4.8723 1.3859 0.7442 O 0 0 0
- -3.7081 2.2687 -0.7777 O 0 5 0
- 5.3158 1.1447 -0.3751 C 0 0 0
- 0.7112 2.7354 0.0000 H 0 0 0
- 3.4315 -2.4564 0.0000 H 0 0 0
- 1.4429 -3.9401 0.0000 H 0 0 0
- -1.6679 2.4766 0.0000 H 0 0 0
- -0.9349 -4.2030 0.0000 H 0 0 0
- -3.2051 -3.1957 0.0000 H 0 0 0
- 3.2299 3.2261 0.0000 H 0 0 0
- 2.0770 2.4420 0.0000 H 0 0 0
- -4.6162 -1.2263 0.0000 H 0 0 0
- 4.7827 -1.2990 0.0000 H 0 0 0
- 5.8873 -0.4501 0.0000 H 0 0 0
- 5.5227 2.6112 0.0000 H 0 0 0
- 4.3398 3.2120 0.0000 H 0 0 0
- 6.2267 0.6138 0.0000 H 0 0 0
- 6.0222 1.9274 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 23 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-420-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.0000 0.0000 -0.1013 C 0 0 0
- 0.0000 0.0000 -1.6313 C 0 0 0
- -0.0125 1.3189 0.3651 F 0 0 0
- -1.1360 -0.6703 0.3651 F 0 0 0
- 1.1485 -0.6486 0.3651 F 0 0 0
- 0.0000 0.9892 0.0000 H 0 0 0
- -0.9892 0.0000 0.0000 H 0 0 0
- 0.0000 -0.9892 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-832-69-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.0321 -0.3925 -0.0015 C 0 0 0
- -0.4201 -0.5894 -0.0011 C 0 0 0
- 1.5382 0.9271 -0.0008 C 0 0 0
- 1.9166 -1.4728 0.0033 C 0 0 0
- -1.2592 0.5480 -0.0001 C 0 0 0
- -0.9852 -1.8661 -0.0014 C 0 0 0
- 0.6455 2.0238 0.0007 C 0 0 0
- 2.9260 1.1269 -0.0011 C 0 0 0
- 3.2632 -1.2449 0.0027 C 0 0 0
- -0.6907 1.8426 0.0001 C 0 0 0
- -2.6502 0.3711 0.0003 C 0 0 0
- -2.3438 -2.0050 -0.0006 C 0 0 0
- 3.7648 0.0513 -0.0021 C 0 0 0
- -3.1724 -0.8890 -0.0004 C 0 0 0
- -3.5649 1.5688 0.0019 C 0 0 0
- 1.5491 -2.4534 0.0000 H 0 0 0
- -0.3700 -2.7135 0.0000 H 0 0 0
- 1.0304 2.9976 0.0000 H 0 0 0
- 3.3171 2.0983 0.0000 H 0 0 0
- 3.9254 -2.0561 0.0000 H 0 0 0
- -1.3210 2.6788 0.0000 H 0 0 0
- -2.7661 -2.9632 0.0000 H 0 0 0
- 4.8007 0.2042 0.0000 H 0 0 0
- -4.2117 -1.0174 0.0000 H 0 0 0
- -2.7327 2.2044 0.0000 H 0 0 0
- -4.2005 2.4010 0.0000 H 0 0 0
- -4.3971 0.9332 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 11 15 1 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 0.7417 -0.3449 -0.1483 C 0 0 0
- -0.4927 0.5524 -0.0391 C 0 0 0
- 2.0028 0.4943 0.0673 C 0 0 0
- -1.7538 -0.2868 -0.2548 C 0 0 0
- 3.2372 -0.4030 -0.0419 C 0 0 0
- -2.9883 0.6105 -0.1455 C 0 0 0
- 4.4983 0.4361 0.1737 C 0 0 0
- -4.2304 -0.2160 -0.3579 C 0 0 0
- 5.7328 -0.4611 0.0645 C 0 0 0
- -5.0649 -0.2863 0.5120 O 0 0 0
- -0.0301 -1.1786 0.0000 H 0 0 0
- 1.4784 -1.2098 0.0000 H 0 0 0
- 0.2791 1.3861 0.0000 H 0 0 0
- -1.2294 1.4173 0.0000 H 0 0 0
- 2.7746 1.3280 0.0000 H 0 0 0
- 1.2661 1.3592 0.0000 H 0 0 0
- -2.5256 -1.1205 0.0000 H 0 0 0
- -1.0171 -1.1517 0.0000 H 0 0 0
- 2.4653 -1.2366 0.0000 H 0 0 0
- 3.9739 -1.2679 0.0000 H 0 0 0
- -2.2165 1.4442 0.0000 H 0 0 0
- -3.7250 1.4754 0.0000 H 0 0 0
- 5.2701 1.2698 0.0000 H 0 0 0
- 3.7616 1.3010 0.0000 H 0 0 0
- -3.8563 -1.2887 0.0000 H 0 0 0
- 5.0649 -1.3801 0.0000 H 0 0 0
- 6.6518 -1.1290 0.0000 H 0 0 0
- 6.4007 0.4579 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 2 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122033-85-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- -0.3141 -0.2410 -0.0205 C 0 0 0
- -1.1869 -1.3706 -0.4715 C 0 0 2
- 1.0849 -0.3824 0.0423 C 0 0 0
- -0.8636 0.9423 0.3763 C 0 0 0
- -2.6392 -1.0529 -0.7774 C 0 0 1
- -2.2372 -1.6777 0.4417 O 0 0 0
- 1.8806 0.7963 0.0921 C 0 0 0
- 1.7594 -1.6089 0.1275 C 0 0 0
- -2.3531 1.0946 0.5057 C 0 0 1
- -0.0635 2.0630 0.6193 C 0 0 0
- -3.0701 0.3893 -0.6280 C 0 0 1
- 1.2833 2.0142 0.4509 C 0 0 0
- 3.2458 0.7218 -0.2287 C 0 0 0
- 3.0971 -1.6591 -0.1435 C 0 0 0
- 1.0863 -2.8753 0.5901 C 0 0 0
- -2.7927 0.5928 1.7665 O 0 0 0
- -2.8572 1.0905 -1.8546 O 0 0 0
- 3.8350 -0.4986 -0.3593 C 0 0 0
- 4.0513 1.9792 -0.4276 C 0 0 0
- -0.6073 -2.2201 0.0000 H 0 0 0
- -3.5736 -1.4826 0.0000 H 0 0 0
- -2.6938 2.0650 0.0000 H 0 0 0
- -0.5176 2.9858 0.0000 H 0 0 0
- -4.0985 0.3916 0.0000 H 0 0 0
- 1.8430 2.8770 0.0000 H 0 0 0
- 3.5752 -2.5697 0.0000 H 0 0 0
- 0.1782 -2.3926 0.0000 H 0 0 0
- 0.6036 -3.7834 0.0000 H 0 0 0
- 1.9944 -3.3580 0.0000 H 0 0 0
- -3.4704 -0.1808 0.0000 H 0 0 0
- -2.5584 2.0746 0.0000 H 0 0 0
- 4.8617 -0.5585 0.0000 H 0 0 0
- 4.9173 1.4245 0.0000 H 0 0 0
- 4.6060 2.8452 0.0000 H 0 0 0
- 3.1853 2.5339 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 13 18 2 0
- 13 19 1 0
- 5 6 1 0
- 9 11 1 0
- 10 12 2 0
- 14 18 1 0
- 2 20 1 0
- 5 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2798-25-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.7779 0.7934 0.2503 C 0 0 0
- -0.7952 -0.6081 0.1683 C 0 0 0
- 0.3294 1.5078 0.4756 O 0 0 0
- -1.9879 1.4726 0.1070 C 0 0 0
- 0.4940 -1.3238 0.2478 C 0 0 0
- -1.9945 -1.3107 0.0029 C 0 0 0
- 1.4993 0.9317 0.1774 C 0 0 0
- -3.1692 0.7773 -0.0806 C 0 0 0
- 1.6764 -0.4537 0.0648 C 0 0 0
- 0.5764 -2.5227 0.4458 O 0 0 0
- -3.1814 -0.6124 -0.1262 C 0 0 0
- -1.9927 -2.6670 -0.0311 O 0 0 0
- 2.6141 1.7549 -0.0316 C 0 0 0
- -4.3329 1.4614 -0.2216 O 0 0 0
- 2.9311 -1.0028 -0.2161 C 0 0 0
- 3.8476 1.2072 -0.3216 C 0 0 0
- 2.4795 3.1063 0.0525 O 0 0 0
- -5.3651 0.4888 -0.3971 C 0 0 0
- 4.0157 -0.1645 -0.4114 C 0 0 0
- 3.0852 -2.3493 -0.2963 O 0 0 0
- -1.9985 2.5030 0.0000 H 0 0 0
- -4.0781 -1.1200 0.0000 H 0 0 0
- -1.9913 -3.6975 0.0000 H 0 0 0
- 4.6757 1.8205 0.0000 H 0 0 0
- 2.3774 4.1317 0.0000 H 0 0 0
- -6.0718 1.2388 0.0000 H 0 0 0
- -6.1151 -0.2179 0.0000 H 0 0 0
- -4.6584 -0.2612 0.0000 H 0 0 0
- 4.9666 -0.5614 0.0000 H 0 0 0
- 3.2024 -3.3731 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 2 0
- 15 20 1 0
- 7 9 2 0
- 8 11 1 0
- 16 19 1 0
- 4 21 1 0
- 11 22 1 0
- 12 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-52-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.7420 -0.0002 -0.0019 C 0 0 0
- -0.7420 0.0003 -0.0021 C 0 0 0
- 1.4414 1.1330 -0.4113 C 0 0 0
- 1.4409 -1.1321 0.4131 C 0 0 0
- -1.4414 -1.1329 -0.4115 C 0 0 0
- -1.4410 1.1322 0.4129 C 0 0 0
- 2.8218 1.1271 -0.4092 C 0 0 0
- 2.8209 -1.1270 0.4112 C 0 0 0
- -2.8217 -1.1272 -0.4092 C 0 0 0
- -2.8209 1.1269 0.4112 C 0 0 0
- 3.5104 -0.0010 -0.0017 C 0 0 0
- -3.5104 0.0007 -0.0014 C 0 0 0
- 0.9566 2.0062 0.0000 H 0 0 0
- 0.9560 -2.0052 0.0000 H 0 0 0
- -0.9566 -2.0061 0.0000 H 0 0 0
- -0.9562 2.0054 0.0000 H 0 0 0
- 3.3124 1.9970 0.0000 H 0 0 0
- 3.3107 -1.9974 0.0000 H 0 0 0
- -3.3122 -1.9972 0.0000 H 0 0 0
- -3.3108 1.9973 0.0000 H 0 0 0
- 4.5091 -0.0017 0.0000 H 0 0 0
- -4.5091 0.0013 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 8 11 1 0
- 10 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.3108 -0.5073 -0.0005 C 0 0 0
- -1.8127 -1.8131 -0.0014 F 0 0 0
- -1.7598 0.1657 -1.1418 F 0 0 0
- -1.7583 0.1636 1.1427 F 0 0 0
- 0.1957 -0.5481 -0.0016 C 0 0 0
- 0.9197 0.6306 -0.0009 C 0 0 0
- 0.8543 -1.7635 0.0026 C 0 0 0
- 0.0933 2.1573 0.0011 Cl 0 0 0
- 2.3029 0.5923 -0.0014 C 0 0 0
- 2.2360 -1.8011 0.0021 C 0 0 0
- 2.9602 -0.6233 -0.0026 C 0 0 0
- 0.3117 -2.6472 0.0000 H 0 0 0
- 2.8461 1.4756 0.0000 H 0 0 0
- 2.7296 -2.7130 0.0000 H 0 0 0
- 3.9968 -0.6521 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 10 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 1.2960 0.1540 0.8321 C 0 0 0
- 0.0000 0.0001 0.0786 C 0 0 0
- 2.4658 0.1233 -0.1536 C 0 0 0
- -1.2960 -0.1541 0.8321 C 0 0 0
- 0.0000 0.0003 -1.1290 O 0 0 0
- 3.6401 0.9160 0.4238 C 0 0 0
- 2.8957 -1.3260 -0.3897 C 0 0 0
- -2.4657 -0.1233 -0.1536 C 0 0 0
- -3.6399 -0.9164 0.4235 C 0 0 0
- -2.8960 1.3260 -0.3892 C 0 0 0
- 1.7667 1.0122 0.0000 H 0 0 0
- 0.7484 0.9654 0.0000 H 0 0 0
- 2.1917 1.0630 0.0000 H 0 0 0
- -1.7667 -1.0123 0.0000 H 0 0 0
- -0.7483 -0.9654 0.0000 H 0 0 0
- 4.1878 0.1047 0.0000 H 0 0 0
- 4.4514 1.4637 0.0000 H 0 0 0
- 3.0924 1.7273 0.0000 H 0 0 0
- 1.9573 -1.6044 0.0000 H 0 0 0
- 3.1741 -2.2644 0.0000 H 0 0 0
- 3.8341 -1.0476 0.0000 H 0 0 0
- -2.1916 -1.0630 0.0000 H 0 0 0
- -4.1878 -0.1052 0.0000 H 0 0 0
- -4.4511 -1.4643 0.0000 H 0 0 0
- -3.0920 -1.7276 0.0000 H 0 0 0
- -1.9576 1.6046 0.0000 H 0 0 0
- -3.1746 2.2644 0.0000 H 0 0 0
- -3.8344 1.0474 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 8 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99601-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.4129 0.5496 -0.0495 C 0 0 0
- -1.1841 -0.6078 -0.1834 C 0 0 0
- 1.0414 0.4222 0.0034 C 0 0 0
- -1.2630 1.6005 -0.0014 N 0 0 0
- -2.5033 -0.1889 -0.2052 N 0 0 0
- -0.5708 -1.8605 -0.2647 C 0 0 0
- 1.6151 -0.8709 -0.0831 C 0 0 0
- 1.8285 1.4894 0.1293 N 0 0 0
- -2.4983 1.1703 -0.0962 C 0 0 0
- -3.6848 -1.0459 -0.3312 C 0 0 0
- 0.7786 -1.9952 -0.2171 C 0 0 0
- 2.9448 -1.0026 -0.0361 N 0 0 0
- 3.1345 1.3350 0.1724 C 0 0 0
- -3.6220 1.9706 -0.0822 N 0 0 0
- -4.0711 -1.5877 1.0465 C 0 0 0
- 3.7021 0.0646 0.0894 C 0 0 0
- 5.2005 -0.0869 0.1421 C 0 0 0
- -1.1614 -2.7100 0.0000 H 0 0 0
- -3.9024 -0.0344 0.0000 H 0 0 0
- -4.6981 -0.8365 0.0000 H 0 0 0
- 1.1965 -2.9417 0.0000 H 0 0 0
- 3.7475 2.1685 0.0000 H 0 0 0
- -3.5236 3.0006 0.0000 H 0 0 0
- -4.5632 1.5408 0.0000 H 0 0 0
- -4.9136 -0.9870 0.0000 H 0 0 0
- -4.6718 -2.4302 0.0000 H 0 0 0
- -3.2286 -2.1884 0.0000 H 0 0 0
- 5.0964 -1.1163 0.0000 H 0 0 0
- 6.2299 -0.1910 0.0000 H 0 0 0
- 5.3046 0.9425 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 16 17 1 0
- 5 9 1 0
- 7 11 1 0
- 13 16 1 0
- 6 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91134-58-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -1.4009 0.0120 -0.0399 C 0 0 0
- -2.5717 -0.6496 0.0726 O 0 0 0
- -1.6879 1.3521 -0.2017 C 0 0 0
- -0.1093 -0.5647 0.0060 C 0 0 0
- -3.5862 0.2218 -0.0120 C 0 0 0
- -3.0859 1.4661 -0.1813 C 0 0 0
- 0.9901 0.2216 -0.1210 C 0 0 0
- -5.0238 -0.1229 0.0676 N 0 3 0
- 2.2795 -0.3541 -0.0752 C 0 0 0
- -5.8658 0.7527 -0.0219 O 0 0 0
- -5.3645 -1.2819 0.2226 O 0 5 0
- 3.3727 0.4278 -0.2016 O 0 0 0
- 2.4047 -1.5550 0.0782 O 0 0 0
- 4.5093 -0.4341 -0.1151 C 0 0 0
- 5.7887 0.3937 -0.2516 C 0 0 0
- 5.8479 1.4301 0.8723 C 0 0 0
- 7.0055 -0.5291 -0.1590 C 0 0 0
- -1.0190 2.1138 0.0000 H 0 0 0
- -0.0076 -1.5733 0.0000 H 0 0 0
- -3.6188 2.3284 0.0000 H 0 0 0
- 0.8884 1.2302 0.0000 H 0 0 0
- 3.8075 -1.1656 0.0000 H 0 0 0
- 5.1547 -1.2158 0.0000 H 0 0 0
- 4.9124 0.9034 0.0000 H 0 0 0
- 6.8600 1.3723 0.0000 H 0 0 0
- 5.9057 2.4422 0.0000 H 0 0 0
- 4.8358 1.4879 0.0000 H 0 0 0
- 6.3929 -1.3368 0.0000 H 0 0 0
- 7.8132 -1.1417 0.0000 H 0 0 0
- 7.6181 0.2786 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-40-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 1.8564 -0.2475 -0.4019 C 0 0 0
- 0.9690 -1.3198 -0.8757 C 0 0 0
- 2.4139 -0.3108 0.8798 C 0 0 0
- 2.1525 0.8392 -1.2326 C 0 0 0
- -0.1751 -1.5963 -0.2074 C 0 0 0
- 3.2455 0.6987 1.3164 C 0 0 0
- 2.9857 1.8401 -0.7810 C 0 0 0
- -0.8884 -0.5053 0.5489 C 0 0 0
- -0.6996 -2.9053 -0.2188 C 0 0 0
- 3.5291 1.7725 0.4906 C 0 0 0
- -1.9391 0.1400 -0.3569 C 0 0 0
- -1.7261 -3.1534 0.3809 O 0 0 0
- -2.7470 1.1612 0.4464 C 0 0 0
- -3.7977 1.8066 -0.4594 C 0 0 0
- -4.6056 2.8278 0.3440 C 0 0 0
- 1.4589 -2.1042 0.0000 H 0 0 0
- 2.7607 -1.1682 0.0000 H 0 0 0
- 1.3322 1.2664 0.0000 H 0 0 0
- 4.0685 0.2769 0.0000 H 0 0 0
- 2.6458 2.7002 0.0000 H 0 0 0
- 0.0175 -0.3194 0.0000 H 0 0 0
- -0.7281 0.4055 0.0000 H 0 0 0
- -0.0944 -3.6046 0.0000 H 0 0 0
- 4.2953 2.2904 0.0000 H 0 0 0
- -2.8322 -0.1001 0.0000 H 0 0 0
- -2.0719 -0.7752 0.0000 H 0 0 0
- -1.8539 1.4013 0.0000 H 0 0 0
- -2.6142 2.0764 0.0000 H 0 0 0
- -4.6908 1.5665 0.0000 H 0 0 0
- -3.9305 0.8914 0.0000 H 0 0 0
- -3.8803 3.4016 0.0000 H 0 0 0
- -5.1794 3.5531 0.0000 H 0 0 0
- -5.3309 2.2540 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 7 10 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2491-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 16 1 V2000
- -2.4012 -0.9855 0.0774 C 0 0 0
- -2.9465 0.2912 0.6637 C 0 0 0
- -1.2428 -1.4907 0.5299 O 0 0 0
- -3.0091 -1.5570 -0.7965 O 0 0 0
- -4.1304 0.7128 -0.0971 N 0 0 0
- -5.0078 1.4202 0.8452 C 0 0 0
- -3.6712 1.7082 -1.0750 C 0 0 0
- 8.3035 0.2693 -0.0145 Cl 0 0 0
- -2.0633 0.4293 0.0000 H 0 0 0
- -2.8630 1.1812 0.0000 H 0 0 0
- -0.4234 -1.8480 0.0000 H 0 0 0
- -4.4467 2.1161 0.0000 H 0 0 0
- -5.7037 1.9813 0.0000 H 0 0 0
- -5.5689 0.7243 0.0000 H 0 0 0
- -2.8595 1.3337 0.0000 H 0 0 0
- -3.2967 2.5199 0.0000 H 0 0 0
- -4.4829 2.0827 0.0000 H 0 0 0
- 9.1974 0.2693 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 5 7 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3416-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 0.2556 -0.9443 0.1496 C 0 0 0
- 1.1911 -2.1258 0.2524 C 0 0 0
- 0.7736 0.3597 0.0641 C 0 0 0
- -1.0864 -1.1615 0.1355 C 0 0 0
- 2.7021 -1.8529 0.2543 C 0 0 0
- 1.9864 -2.2033 -0.9321 O 0 0 0
- 2.2373 0.6119 0.0634 C 0 0 0
- -0.0709 1.4627 -0.0236 C 0 0 0
- -1.9330 -0.0604 0.0462 C 0 0 0
- -1.9551 -2.3952 0.1961 C 0 0 0
- 3.1644 -0.4191 0.1526 C 0 0 0
- 2.6891 1.9317 -0.0305 C 0 0 0
- -1.4571 1.2612 -0.0304 C 0 0 0
- -3.2882 -0.3722 0.0386 C 0 0 0
- -3.4071 -1.8740 0.1308 C 0 0 0
- 4.5171 -0.1409 0.1479 C 0 0 0
- 4.0410 2.2007 -0.0340 C 0 0 0
- -2.4054 2.2960 -0.1124 C 0 0 0
- -4.1802 0.6536 -0.0439 C 0 0 0
- 4.9563 1.1670 0.0546 C 0 0 0
- -3.7316 1.9748 -0.1138 C 0 0 0
- -5.6587 0.3623 -0.0557 C 0 0 0
- 0.6903 -3.0444 0.0000 H 0 0 0
- 3.4930 -2.5378 0.0000 H 0 0 0
- 0.3235 2.4318 0.0000 H 0 0 0
- -2.3953 -3.3443 0.0000 H 0 0 0
- -1.0492 -2.9186 0.0000 H 0 0 0
- 2.0003 2.7192 0.0000 H 0 0 0
- -4.4387 -1.6995 0.0000 H 0 0 0
- -3.6721 -2.8861 0.0000 H 0 0 0
- 5.2108 -0.9241 0.0000 H 0 0 0
- 4.3749 3.1922 0.0000 H 0 0 0
- -2.1005 3.2968 0.0000 H 0 0 0
- 5.9816 1.3752 0.0000 H 0 0 0
- -4.4375 2.7470 0.0000 H 0 0 0
- -5.8609 1.3888 0.0000 H 0 0 0
- -6.6852 0.1601 0.0000 H 0 0 0
- -5.4565 -0.6642 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 14 19 2 0
- 16 20 2 0
- 18 21 2 0
- 19 22 1 0
- 5 6 1 0
- 7 11 2 0
- 9 13 2 0
- 14 15 1 0
- 17 20 1 0
- 19 21 1 0
- 2 23 1 0
- 5 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1854-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.1498 -0.0339 0.0988 N 0 0 0
- 0.1226 -0.8918 0.0429 C 0 0 0
- 0.7126 1.2766 -0.4051 C 0 0 0
- 2.4935 -0.3494 0.5899 C 0 0 0
- -1.0058 -0.3571 -0.4418 N 0 0 0
- 0.2067 -2.0510 0.4002 O 0 0 0
- -0.7665 1.0548 -0.7761 C 0 0 0
- 0.8010 2.2436 0.6432 O 0 0 0
- 3.3001 -0.8136 -0.4945 O 0 0 0
- -2.2764 -1.0661 -0.6119 C 0 0 0
- -1.5926 1.8848 0.0429 O 0 0 0
- -3.0557 -0.9395 0.5792 O 0 0 0
- 1.6763 1.3883 0.0000 H 0 0 0
- 3.2818 0.2160 0.0000 H 0 0 0
- 2.3048 0.6022 0.0000 H 0 0 0
- -0.4618 1.9758 0.0000 H 0 0 0
- 0.8893 3.2097 0.0000 H 0 0 0
- 4.1409 -1.2975 0.0000 H 0 0 0
- -2.7082 -1.9348 0.0000 H 0 0 0
- -1.5743 -1.7355 0.0000 H 0 0 0
- -2.2770 2.5724 0.0000 H 0 0 0
- -4.0133 -0.7839 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 1 0
- 5 7 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97461-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -1.2467 -0.0067 0.0373 C 0 0 0
- -2.4225 -0.6065 -0.2430 O 0 0 0
- -1.5227 1.2476 0.5409 C 0 0 0
- 0.0407 -0.5671 -0.1470 C 0 0 0
- -3.4302 0.2218 0.0647 C 0 0 0
- -2.9200 1.3751 0.5509 C 0 0 0
- 1.1452 0.1497 0.1782 C 0 0 0
- -4.8703 -0.0780 -0.1018 N 0 3 0
- 2.4320 -0.4105 -0.0060 C 0 0 0
- -5.7053 0.7515 0.2117 O 0 0 0
- -5.2202 -1.1541 -0.5524 O 0 5 0
- 3.5296 0.3018 0.3171 N 0 0 0
- 2.5474 -1.5360 -0.4564 O 0 0 0
- 4.8614 -0.2780 0.1265 C 0 0 0
- 5.8659 0.8378 -0.1688 C 0 0 0
- 5.2816 -1.0192 1.3973 C 0 0 0
- 5.4457 1.5791 -1.4395 C 0 0 0
- -0.8737 1.9837 0.0000 H 0 0 0
- 0.1216 -1.5451 0.0000 H 0 0 0
- -3.4175 2.2210 0.0000 H 0 0 0
- 1.0643 1.1277 0.0000 H 0 0 0
- 3.4487 1.2798 0.0000 H 0 0 0
- 4.2049 -1.0074 0.0000 H 0 0 0
- 6.5207 0.1068 0.0000 H 0 0 0
- 6.6628 1.4104 0.0000 H 0 0 0
- 4.4279 -1.5032 0.0000 H 0 0 0
- 5.7656 -1.8729 0.0000 H 0 0 0
- 6.1353 -0.5352 0.0000 H 0 0 0
- 6.2994 2.0630 0.0000 H 0 0 0
- 4.9618 2.4328 0.0000 H 0 0 0
- 4.5920 1.0952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-638-07-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -0.2716 -1.0481 0.0000 C 0 0 0
- -1.4129 -0.0640 0.0000 C 0 0 0
- 1.0366 -0.3001 0.0000 C 0 0 0
- -2.6803 -0.5061 0.0000 O 0 0 0
- -1.1872 1.1230 0.0000 O 0 0 0
- 2.3386 -1.0590 0.0000 C 0 0 0
- 1.0417 0.9075 0.0000 O 0 0 0
- -3.7800 0.4421 0.0000 C 0 0 0
- 3.7138 0.1069 0.0000 Cl 0 0 0
- -5.1082 -0.3174 0.0000 C 0 0 0
- -1.1017 -1.8151 0.0000 H 0 0 0
- 0.3967 -1.9596 0.0000 H 0 0 0
- 1.6627 -1.9649 0.0000 H 0 0 0
- 3.1622 -1.8329 0.0000 H 0 0 0
- -2.9499 1.2092 0.0000 H 0 0 0
- -4.4483 1.3535 0.0000 H 0 0 0
- -5.6692 0.6637 0.0000 H 0 0 0
- -6.0893 -0.8784 0.0000 H 0 0 0
- -4.5472 -1.2985 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 6 9 1 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.8835 0.3272 -0.0007 C 0 0 0
- -0.4152 0.7274 0.0002 O 0 0 0
- 1.9010 1.2701 0.0003 C 0 0 0
- 1.1940 -1.0251 0.0030 C 0 0 0
- -1.2127 -0.4584 -0.0013 C 0 0 0
- 3.2206 0.8607 -0.0007 C 0 0 0
- 2.5148 -1.4292 0.0020 C 0 0 0
- -2.6720 -0.0822 -0.0003 C 0 0 0
- 3.5273 -0.4873 -0.0027 C 0 0 0
- -3.6121 -1.0404 -0.0014 O 0 0 0
- -2.9959 1.0818 0.0015 O 0 0 0
- 1.6714 2.2812 0.0000 H 0 0 0
- 0.4352 -1.7317 0.0000 H 0 0 0
- -1.5833 -1.4267 0.0000 H 0 0 0
- -0.2925 -0.9361 0.0000 H 0 0 0
- 3.9815 1.5650 0.0000 H 0 0 0
- 2.7473 -2.4396 0.0000 H 0 0 0
- 4.5182 -0.7926 0.0000 H 0 0 0
- -4.3382 -1.7805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 7 9 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105427-00-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 2.8809 0.2454 -0.4242 C 0 0 0
- 1.7784 -0.5424 0.2353 C 0 0 0
- 2.9855 1.7364 -0.0972 C 0 0 0
- 3.9124 0.7749 0.4111 O 0 0 0
- 3.2650 -0.2036 -1.8355 C 0 0 0
- 0.4908 -0.1998 0.0321 N 0 0 0
- 2.0498 -1.4847 0.9489 O 0 0 0
- -0.5809 -0.9657 0.6732 C 0 0 0
- -1.9156 -0.3824 0.2866 C 0 0 0
- -2.5724 -0.8452 -0.8379 C 0 0 0
- -2.4856 0.6118 1.0601 C 0 0 0
- -3.7969 -0.3100 -1.1926 C 0 0 0
- -3.7097 1.1467 0.7056 C 0 0 0
- -4.3641 0.6878 -0.4225 C 0 0 0
- 3.5096 2.5739 0.0000 H 0 0 0
- 2.0461 2.0421 0.0000 H 0 0 0
- 2.5143 -0.8458 0.0000 H 0 0 0
- 3.9072 -0.9543 0.0000 H 0 0 0
- 4.0157 0.4386 0.0000 H 0 0 0
- 0.3137 0.7721 0.0000 H 0 0 0
- -1.1317 -1.7858 0.0000 H 0 0 0
- 0.1278 -1.6541 0.0000 H 0 0 0
- -2.4729 -1.8281 0.0000 H 0 0 0
- -1.8260 1.3473 0.0000 H 0 0 0
- -4.4579 -1.0442 0.0000 H 0 0 0
- -3.8081 2.1297 0.0000 H 0 0 0
- -5.3280 0.9045 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 1 0
- 8 9 1 0
- 9 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 3 4 1 0
- 13 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1197-55-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.1285 0.0084 -0.6285 C 0 0 0
- 0.5329 -1.1925 -0.4493 C 0 0 0
- 0.5350 1.2043 -0.4227 C 0 0 0
- -1.5738 0.0142 -1.0552 C 0 0 0
- 1.8593 -1.2014 -0.0639 C 0 0 0
- 1.8609 1.2027 -0.0373 C 0 0 0
- -2.4578 -0.0021 0.1652 C 0 0 0
- 2.5286 -0.0022 0.1437 C 0 0 0
- -3.7930 -0.0001 0.0268 O 0 0 0
- -1.9648 -0.0169 1.2682 O 0 0 0
- 3.8697 -0.0075 0.5339 N 0 0 0
- 0.0183 -2.0567 0.0000 H 0 0 0
- 0.0252 2.0714 0.0000 H 0 0 0
- -1.0739 0.8870 0.0000 H 0 0 0
- -2.0862 0.8797 0.0000 H 0 0 0
- 2.3656 -2.0705 0.0000 H 0 0 0
- 2.3720 2.0690 0.0000 H 0 0 0
- -4.7988 0.0014 0.0000 H 0 0 0
- 4.3692 -0.8806 0.0000 H 0 0 0
- 4.3761 0.8616 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2113-57-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.9610 -0.6737 0.0878 C 0 0 0
- -2.3179 -0.0763 0.0261 C 0 0 0
- 0.1661 0.1385 -0.0195 C 0 0 0
- -0.8094 -2.0481 0.2589 C 0 0 0
- -3.3386 -0.7286 -0.6628 C 0 0 0
- -2.5776 1.1360 0.6616 C 0 0 0
- 1.4264 -0.4228 0.0391 C 0 0 0
- 0.4550 -2.5990 0.3162 C 0 0 0
- -4.5986 -0.1684 -0.7170 C 0 0 0
- -3.8417 1.6873 0.6010 C 0 0 0
- 1.5706 -1.7896 0.2044 C 0 0 0
- 2.9576 0.6773 -0.1063 Br 0 0 0
- -4.8494 1.0384 -0.0890 C 0 0 0
- 0.0601 1.1673 0.0000 H 0 0 0
- -1.6421 -2.6615 0.0000 H 0 0 0
- -3.2610 -1.7599 0.0000 H 0 0 0
- -1.7768 1.7906 0.0000 H 0 0 0
- 0.5669 -3.6272 0.0000 H 0 0 0
- -5.4037 -0.8177 0.0000 H 0 0 0
- -3.9248 2.7182 0.0000 H 0 0 0
- 2.5154 -2.2104 0.0000 H 0 0 0
- -5.8033 1.4382 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 8 11 2 0
- 10 13 2 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-606-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.1515 0.3402 -0.0209 C 0 0 0
- -0.5057 -0.9073 0.0070 C 0 0 0
- -0.3738 1.5253 -0.0278 C 0 0 0
- -2.5534 0.4361 -0.0480 C 0 0 0
- 0.8543 -0.9613 0.0270 C 0 0 0
- -1.3001 -2.1563 0.0151 N 0 3 0
- 1.0278 1.4295 -0.0065 C 0 0 0
- -1.0198 2.7732 -0.0562 C 0 0 0
- -3.1441 1.6618 -0.0751 C 0 0 0
- 1.6188 0.2035 0.0203 C 0 0 0
- -2.2481 -2.2702 0.7714 O 0 0 0
- -1.0059 -3.0701 -0.7345 O 0 5 0
- -2.3794 2.8272 -0.0767 C 0 0 0
- 3.0957 0.1065 0.0431 N 0 3 0
- 3.7727 1.1190 0.0374 O 0 0 0
- 3.6339 -0.9859 0.0675 O 0 5 0
- -3.1391 -0.4293 0.0000 H 0 0 0
- 1.3323 -1.8905 0.0000 H 0 0 0
- 1.6134 2.2949 0.0000 H 0 0 0
- -0.4591 3.6550 0.0000 H 0 0 0
- -4.1868 1.7305 0.0000 H 0 0 0
- -2.8575 3.7564 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 7 10 1 0
- 9 13 1 0
- 4 17 1 0
- 5 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-47-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.5716 0.6911 0.0018 C 0 0 0
- -0.5716 -0.6911 0.0005 C 0 0 0
- 0.6257 1.3823 0.0017 C 0 0 0
- -1.8767 1.4446 -0.0029 C 0 0 0
- 0.6257 -1.3824 -0.0010 C 0 0 0
- -1.8767 -1.4445 0.0012 C 0 0 0
- 1.8227 0.6913 0.0003 C 0 0 0
- 1.8227 -0.6913 -0.0016 C 0 0 0
- 0.6257 2.4192 0.0000 H 0 0 0
- -1.3583 2.3426 0.0000 H 0 0 0
- -2.7747 1.9630 0.0000 H 0 0 0
- -2.3951 0.5466 0.0000 H 0 0 0
- 0.6257 -2.4193 0.0000 H 0 0 0
- -2.3951 -0.5465 0.0000 H 0 0 0
- -2.7747 -1.9629 0.0000 H 0 0 0
- -1.3583 -2.3425 0.0000 H 0 0 0
- 2.7207 1.2098 0.0000 H 0 0 0
- 2.7207 -1.2097 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16757-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.0203 -0.2591 -0.0015 C 0 0 0
- -1.4086 -0.0352 -0.0013 C 0 0 0
- 0.8641 0.8342 0.0002 C 0 0 0
- 0.4940 -1.6294 0.0026 C 0 0 0
- -1.8986 1.2912 0.0002 C 0 0 0
- -2.3033 -1.1284 -0.0020 C 0 0 0
- 2.3009 0.5663 -0.0002 C 0 0 0
- 0.3526 2.1455 0.0025 C 0 0 0
- 1.8613 -1.8497 0.0019 C 0 0 0
- -0.4591 -2.7398 0.0068 C 0 0 0
- -0.9854 2.3694 0.0009 C 0 0 0
- -3.2826 1.5021 0.0005 C 0 0 0
- -1.7874 -2.4950 -0.0026 C 0 0 0
- -3.6766 -0.8753 -0.0017 C 0 0 0
- 2.7637 -0.7736 -0.0021 C 0 0 0
- 3.2263 1.6172 0.0010 C 0 0 0
- -4.1453 0.4260 -0.0007 C 0 0 0
- 4.1521 -1.0153 -0.0028 C 0 0 0
- 4.5620 1.3451 0.0002 C 0 0 0
- -5.6319 0.6735 -0.0004 C 0 0 0
- 5.0220 0.0305 -0.0017 C 0 0 0
- 1.0177 2.9640 0.0000 H 0 0 0
- 2.2295 -2.8380 0.0000 H 0 0 0
- -0.1078 -3.7342 0.0000 H 0 0 0
- -1.3482 3.3597 0.0000 H 0 0 0
- -3.6659 2.4847 0.0000 H 0 0 0
- -2.4636 -3.3043 0.0000 H 0 0 0
- -4.3590 -1.6795 0.0000 H 0 0 0
- 2.8906 2.6170 0.0000 H 0 0 0
- 4.5160 -2.0052 0.0000 H 0 0 0
- 5.2555 2.1397 0.0000 H 0 0 0
- -5.4587 1.7138 0.0000 H 0 0 0
- -6.6722 0.8467 0.0000 H 0 0 0
- -5.8051 -0.3668 0.0000 H 0 0 0
- 6.0599 -0.1569 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 19 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16354-50-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.5459 0.2102 -0.0372 C 0 0 0
- -0.0286 -1.1307 -0.1603 C 0 0 0
- 2.0091 0.3484 0.0034 C 0 0 0
- -0.2757 1.3226 0.0334 C 0 0 0
- -1.4081 -1.2979 -0.2021 C 0 0 0
- 0.8645 -2.2855 -0.2386 C 0 0 0
- 2.8132 -0.8077 -0.0769 C 0 0 0
- 2.6084 1.6037 0.1193 C 0 0 0
- -1.6638 1.1610 -0.0135 C 0 0 0
- 0.3229 2.6999 0.1595 C 0 0 0
- -2.2423 -0.1799 -0.1261 C 0 0 0
- -2.0004 -2.6778 -0.3292 C 0 0 0
- 2.2009 -2.1269 -0.1988 C 0 0 0
- 4.2083 -0.6739 -0.0381 C 0 0 0
- 3.9810 1.7025 0.1543 C 0 0 0
- -2.5301 2.2703 0.0558 C 0 0 0
- -3.6454 -0.3117 -0.1650 C 0 0 0
- -2.2326 -3.2635 1.0650 C 0 0 0
- 4.7721 0.5634 0.0761 C 0 0 0
- -3.8740 2.0752 0.0072 C 0 0 0
- -4.4252 0.7983 -0.0882 C 0 0 0
- 0.4594 -3.2511 0.0000 H 0 0 0
- 2.0183 2.4688 0.0000 H 0 0 0
- 1.2833 2.2825 0.0000 H 0 0 0
- 0.7403 3.6603 0.0000 H 0 0 0
- -0.6375 3.1173 0.0000 H 0 0 0
- -2.6350 -1.8449 0.0000 H 0 0 0
- -3.0378 -2.8206 0.0000 H 0 0 0
- 2.8154 -2.9748 0.0000 H 0 0 0
- 4.8162 -1.5265 0.0000 H 0 0 0
- 4.4327 2.6472 0.0000 H 0 0 0
- -2.1399 3.2420 0.0000 H 0 0 0
- -4.0842 -1.2625 0.0000 H 0 0 0
- -3.2060 -2.8776 0.0000 H 0 0 0
- -2.6185 -4.2369 0.0000 H 0 0 0
- -1.2592 -3.6494 0.0000 H 0 0 0
- 5.8150 0.6572 0.0000 H 0 0 0
- -4.5108 2.9065 0.0000 H 0 0 0
- -5.4669 0.6912 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 13 1 0
- 9 11 2 0
- 15 19 1 0
- 20 21 1 0
- 6 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33703-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 73 1 V2000
- 3.1199 -0.2949 0.0817 C 0 0 0
- 1.8530 0.5212 0.0907 C 0 0 0
- 4.3136 0.3189 0.0884 O 0 0 0
- 3.0611 -1.5017 0.0735 O 0 0 0
- 0.6431 -0.4152 0.0804 C 0 0 0
- 5.5343 -0.4674 0.0798 C 0 0 0
- -0.6431 0.4133 0.0895 C 0 0 0
- 6.7442 0.4690 0.0900 C 0 0 0
- -1.8530 -0.5231 0.0793 C 0 0 0
- 8.0304 -0.3596 0.0810 C 0 0 0
- -3.1199 0.2930 0.0882 C 0 0 0
- 9.2403 0.5769 0.0912 C 0 0 0
- -4.3136 -0.3207 0.0815 O 0 0 0
- -3.0611 1.4998 0.1014 O 0 0 0
- 10.5265 -0.2517 0.0821 C 0 0 0
- -5.5343 0.4656 0.0901 C 0 0 0
- 11.7365 0.6848 0.0923 C 0 0 0
- -6.7442 -0.4708 0.0799 C 0 0 0
- 13.0227 -0.1438 0.0833 C 0 0 0
- -8.0304 0.3577 0.0890 C 0 0 0
- 13.0608 -1.0125 -1.1756 C 0 0 0
- 14.2326 0.7926 0.0935 C 0 0 0
- -9.2403 -0.5787 0.0787 C 0 0 0
- -10.5265 0.2498 0.0878 C 0 0 0
- -11.7365 -0.6866 0.0776 C 0 0 0
- -13.0227 0.1419 0.0866 C 0 0 0
- -13.0608 1.0380 -1.1529 C 0 0 0
- -14.2326 -0.7945 0.0764 C 0 0 0
- 2.5795 1.4094 0.0000 H 0 0 0
- 1.0526 1.3434 0.0000 H 0 0 0
- -0.0833 -1.3034 0.0000 H 0 0 0
- 1.4435 -1.2374 0.0000 H 0 0 0
- 4.8079 -1.3556 0.0000 H 0 0 0
- 6.3347 -1.2896 0.0000 H 0 0 0
- 0.0833 1.3015 0.0000 H 0 0 0
- -1.4435 1.2355 0.0000 H 0 0 0
- 7.4707 1.3572 0.0000 H 0 0 0
- 5.9438 1.2912 0.0000 H 0 0 0
- -2.5795 -1.4113 0.0000 H 0 0 0
- -1.0526 -1.3453 0.0000 H 0 0 0
- 7.3039 -1.2478 0.0000 H 0 0 0
- 8.8308 -1.1818 0.0000 H 0 0 0
- 9.9668 1.4651 0.0000 H 0 0 0
- 8.4399 1.3991 0.0000 H 0 0 0
- 9.8000 -1.1399 0.0000 H 0 0 0
- 11.3269 -1.0739 0.0000 H 0 0 0
- -4.8079 1.3538 0.0000 H 0 0 0
- -6.3347 1.2878 0.0000 H 0 0 0
- 12.4630 1.5730 0.0000 H 0 0 0
- 10.9361 1.5070 0.0000 H 0 0 0
- -7.4706 -1.3590 0.0000 H 0 0 0
- -5.9438 -1.2930 0.0000 H 0 0 0
- 12.0276 -0.7151 0.0000 H 0 0 0
- -7.3040 1.2459 0.0000 H 0 0 0
- -8.8308 1.1799 0.0000 H 0 0 0
- 11.9144 -1.0628 0.0000 H 0 0 0
- 13.1111 -2.1588 0.0000 H 0 0 0
- 14.2071 -0.9622 0.0000 H 0 0 0
- 14.9349 -0.1148 0.0000 H 0 0 0
- 15.1400 1.4949 0.0000 H 0 0 0
- 13.5303 1.7000 0.0000 H 0 0 0
- -9.9667 -1.4669 0.0000 H 0 0 0
- -8.4399 -1.4009 0.0000 H 0 0 0
- -9.8000 1.1380 0.0000 H 0 0 0
- -11.3269 1.0720 0.0000 H 0 0 0
- -12.4630 -1.5748 0.0000 H 0 0 0
- -10.9361 -1.5088 0.0000 H 0 0 0
- -14.0634 0.6253 0.0000 H 0 0 0
- -11.9144 1.0867 0.0000 H 0 0 0
- -13.1095 2.1844 0.0000 H 0 0 0
- -14.2072 0.9893 0.0000 H 0 0 0
- -14.9349 0.1129 0.0000 H 0 0 0
- -15.1400 -1.4968 0.0000 H 0 0 0
- -13.5303 -1.7019 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 1 0
- 2 29 1 0
- 2 30 1 0
- 5 31 1 0
- 5 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 15 45 1 0
- 15 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 20 54 1 0
- 20 55 1 0
- 21 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 22 61 1 0
- 23 62 1 0
- 23 63 1 0
- 24 64 1 0
- 24 65 1 0
- 25 66 1 0
- 25 67 1 0
- 26 68 1 0
- 27 69 1 0
- 27 70 1 0
- 27 71 1 0
- 28 72 1 0
- 28 73 1 0
- 28 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-80-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.4688 0.6958 0.0019 C 0 0 0
- -0.4688 -0.6958 0.0007 C 0 0 0
- 0.7329 1.3855 0.0016 C 0 0 0
- -1.6457 1.3772 -0.0021 O 0 0 0
- 0.7329 -1.3855 -0.0009 C 0 0 0
- -1.6457 -1.3772 0.0006 O 0 0 0
- 1.9284 0.6913 0.0000 C 0 0 0
- 1.9284 -0.6913 -0.0013 C 0 0 0
- 0.7355 2.4224 0.0000 H 0 0 0
- -2.5430 1.8967 0.0000 H 0 0 0
- 0.7355 -2.4224 0.0000 H 0 0 0
- -2.5430 -1.8967 0.0000 H 0 0 0
- 2.8270 1.2086 0.0000 H 0 0 0
- 2.8270 -1.2086 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38134-58-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 46 1 V2000
- 0.5166 -1.2899 0.0520 C 0 0 1
- 1.2704 -2.5250 -0.3692 C 0 0 0
- 1.1014 -0.1151 -0.5992 N 0 0 0
- -0.9511 -1.4231 -0.3592 C 0 0 0
- 0.9068 -3.7319 0.1080 N 0 0 0
- 2.2041 -2.4330 -1.1377 O 0 0 0
- 2.0989 0.5624 0.0028 C 0 0 0
- -1.8563 0.0604 0.1467 S 0 0 0
- 1.6395 -4.9325 -0.3015 C 0 0 0
- 2.7005 1.7709 -0.6671 C 0 0 0
- 2.5124 0.1995 1.0837 O 0 0 0
- -3.5797 0.1994 -0.1928 C 0 0 0
- 1.0380 -6.1410 0.3684 C 0 0 0
- 3.8044 2.3493 0.2205 C 0 0 0
- -4.2538 1.3040 0.1839 N 0 0 0
- -4.1610 -0.7015 -0.7670 O 0 0 0
- 1.5508 -7.3602 0.1394 O 0 0 0
- 0.0940 -6.0125 1.1116 O 0 0 0
- 4.4152 3.5762 -0.4596 C 0 0 1
- -5.6867 1.4196 -0.0984 C 0 0 0
- 5.5024 4.1460 0.4146 C 0 0 0
- 4.9841 3.1849 -1.7562 N 0 0 0
- -6.2040 2.7593 0.4294 C 0 0 0
- 5.2059 5.0806 1.3313 O 0 0 0
- 6.6411 3.7614 0.2905 O 0 0 0
- -7.9675 2.9015 0.0820 Cl 0 0 0
- 1.4999 -1.2475 0.0000 H 0 0 0
- 0.3602 0.5324 0.0000 H 0 0 0
- -1.8594 -1.8022 0.0000 H 0 0 0
- -0.7143 -2.3784 0.0000 H 0 0 0
- -0.0694 -3.8572 0.0000 H 0 0 0
- 2.4237 -5.5272 0.0000 H 0 0 0
- 2.3697 -4.2725 0.0000 H 0 0 0
- 2.5361 2.7413 0.0000 H 0 0 0
- 1.7269 1.9151 0.0000 H 0 0 0
- 3.9688 1.3789 0.0000 H 0 0 0
- 4.7780 2.2051 0.0000 H 0 0 0
- -3.7379 2.1422 0.0000 H 0 0 0
- 1.9324 -8.2674 0.0000 H 0 0 0
- 3.7120 4.2649 0.0000 H 0 0 0
- -6.6475 1.2059 0.0000 H 0 0 0
- -5.6187 0.4377 0.0000 H 0 0 0
- 4.9065 2.2037 0.0000 H 0 0 0
- 5.8726 3.6083 0.0000 H 0 0 0
- -5.2432 2.9730 0.0000 H 0 0 0
- -6.2720 3.7412 0.0000 H 0 0 0
- 4.9083 6.0188 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 12 16 2 0
- 13 17 1 0
- 13 18 2 0
- 14 19 1 0
- 15 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 2 0
- 23 26 1 0
- 1 27 1 0
- 3 28 1 0
- 4 29 1 0
- 4 30 1 0
- 5 31 1 0
- 9 32 1 0
- 9 33 1 0
- 10 34 1 0
- 10 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 17 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 1.8614 0.0000 0.3998 C 0 0 0
- 0.3780 0.0001 0.6651 C 0 0 0
- 2.5405 1.1983 0.2783 C 0 0 0
- 2.5416 -1.1987 0.2840 C 0 0 0
- -0.3780 0.0001 -0.6651 C 0 0 0
- 3.9001 1.2019 0.0352 C 0 0 0
- 3.9008 -1.2023 0.0409 C 0 0 0
- -1.8614 0.0002 -0.3998 C 0 0 0
- 4.5852 -0.0001 -0.0874 C 0 0 0
- -2.5404 1.1985 -0.2783 C 0 0 0
- -2.5417 -1.1985 -0.2839 C 0 0 0
- 5.9601 -0.0001 -0.3337 N 0 0 0
- -3.9001 1.2021 -0.0352 C 0 0 0
- -3.9009 -1.2021 -0.0409 C 0 0 0
- -4.5852 0.0002 0.0874 C 0 0 0
- -5.9601 0.0003 0.3337 N 0 0 0
- 0.8945 0.8947 0.0000 H 0 0 0
- -0.1385 0.8947 0.0000 H 0 0 0
- 2.0192 2.0902 0.0000 H 0 0 0
- 2.0206 -2.0907 0.0000 H 0 0 0
- -0.8945 -0.8945 0.0000 H 0 0 0
- 0.1385 -0.8945 0.0000 H 0 0 0
- 4.4179 2.0958 0.0000 H 0 0 0
- 4.4188 -2.0960 0.0000 H 0 0 0
- -2.0191 2.0903 0.0000 H 0 0 0
- -2.0207 -2.0905 0.0000 H 0 0 0
- 6.4766 -0.8947 0.0000 H 0 0 0
- 6.4766 0.8945 0.0000 H 0 0 0
- -4.4179 2.0960 0.0000 H 0 0 0
- -4.4190 -2.0958 0.0000 H 0 0 0
- -6.4765 0.8950 0.0000 H 0 0 0
- -6.4767 -0.8943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 15 16 1 0
- 7 9 1 0
- 14 15 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55256-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 53 1 V2000
- 3.0304 0.0740 0.2426 C 0 0 0
- 2.4062 -1.1491 0.4698 C 0 0 0
- 4.5131 -0.1943 0.0945 C 0 0 1
- 2.2921 1.2378 0.1840 C 0 0 0
- 1.0307 -1.1929 0.6747 C 0 0 0
- 3.3065 -2.1690 0.4401 O 0 0 0
- 4.6306 -1.6517 0.6421 C 0 0 1
- 4.8334 -0.3972 -1.3744 C 0 0 0
- 0.9043 1.1816 0.3541 C 0 0 0
- 2.9064 2.4272 -0.0364 O 0 0 0
- 0.2611 -0.0333 0.6432 C 0 0 0
- 5.5068 -2.2518 -0.3309 O 0 0 0
- 5.3823 -1.5854 -1.5004 C 0 0 0
- 0.0736 2.3948 0.2231 C 0 0 0
- -1.0493 -0.1313 0.8944 O 0 0 0
- -1.3714 2.1171 0.0695 C 0 0 0
- 0.5356 3.5216 0.2404 O 0 0 0
- -1.8349 0.8391 0.4160 C 0 0 0
- -2.2435 3.1025 -0.4019 C 0 0 0
- -3.1949 0.5691 0.2419 C 0 0 0
- -3.5872 2.8035 -0.5614 C 0 0 0
- -1.7784 4.3416 -0.7003 O 0 0 0
- -4.0493 1.5401 -0.2315 C 0 0 0
- -3.7322 -0.7988 0.5751 C 0 0 0
- -3.6553 -1.6927 -0.6642 C 0 0 0
- -4.2008 -3.0816 -0.3259 C 0 0 0
- -4.1239 -3.9754 -1.5653 C 0 0 0
- -3.3665 -3.6970 0.7993 C 0 0 0
- -5.5612 -2.9690 0.0966 O 0 0 0
- 4.8838 0.7563 0.0000 H 0 0 0
- 0.5627 -2.0995 0.0000 H 0 0 0
- 5.5133 -1.1400 0.0000 H 0 0 0
- 5.6009 0.2752 0.0000 H 0 0 0
- 3.3746 3.3337 0.0000 H 0 0 0
- 6.3544 -1.2754 0.0000 H 0 0 0
- -4.2596 3.5709 0.0000 H 0 0 0
- -1.4198 5.2968 0.0000 H 0 0 0
- -5.0521 1.3519 0.0000 H 0 0 0
- -4.4826 -0.1074 0.0000 H 0 0 0
- -4.6482 -1.2482 0.0000 H 0 0 0
- -2.9049 -2.3841 0.0000 H 0 0 0
- -2.7393 -1.2433 0.0000 H 0 0 0
- -5.1405 -4.0629 0.0000 H 0 0 0
- -4.0364 -4.9920 0.0000 H 0 0 0
- -3.1073 -3.8879 0.0000 H 0 0 0
- -3.9722 -4.5181 0.0000 H 0 0 0
- -2.5454 -4.3027 0.0000 H 0 0 0
- -2.7608 -2.8759 0.0000 H 0 0 0
- -6.5780 -2.8848 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 11 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 19 22 1 0
- 20 23 2 0
- 20 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 1 0
- 26 29 1 0
- 6 7 1 0
- 9 11 1 0
- 12 13 1 0
- 16 18 2 0
- 21 23 1 0
- 3 30 1 0
- 5 31 1 0
- 7 32 1 0
- 8 33 1 0
- 10 34 1 0
- 13 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
- 24 40 1 0
- 25 41 1 0
- 25 42 1 0
- 27 43 1 0
- 27 44 1 0
- 27 45 1 0
- 28 46 1 0
- 28 47 1 0
- 28 48 1 0
- 29 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-962-58-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 0.5917 -1.1692 -0.3602 O 0 0 0
- -0.5779 -0.5398 -0.0908 C 0 0 0
- 1.7714 -0.1425 0.0224 P 0 0 0
- -1.7353 -1.0898 -0.4393 N 0 0 0
- -0.5848 0.6923 0.5616 C 0 0 0
- 3.1950 -0.8022 -0.3385 O 0 0 0
- 1.5859 1.2227 -0.8106 O 0 0 0
- 1.7177 0.1527 1.4717 O 0 0 0
- -2.8751 -0.4815 -0.1790 C 0 0 0
- -1.8029 1.2941 0.8142 C 0 0 0
- 3.3123 -1.9884 0.4497 C 0 0 0
- 2.6928 2.0631 -0.4781 C 0 0 0
- -2.9160 0.6856 0.4310 N 0 0 0
- -4.1672 -1.1388 -0.5908 C 0 0 0
- -1.8646 2.6256 1.5174 C 0 0 0
- 4.6508 -2.6676 0.1530 C 0 0 0
- 2.5769 3.3845 -1.2404 C 0 0 0
- -5.0313 -1.3852 0.6476 C 0 0 0
- -4.9171 -0.2252 -1.5623 C 0 0 0
- 0.2587 1.2197 0.0000 H 0 0 0
- 2.3215 -1.8982 0.0000 H 0 0 0
- 3.0372 -2.9445 0.0000 H 0 0 0
- 3.1363 1.1726 0.0000 H 0 0 0
- 3.6503 2.3330 0.0000 H 0 0 0
- -3.8036 -2.0648 0.0000 H 0 0 0
- -0.8708 2.6717 0.0000 H 0 0 0
- -1.9107 3.6194 0.0000 H 0 0 0
- -2.8584 2.5795 0.0000 H 0 0 0
- 4.2006 -3.5548 0.0000 H 0 0 0
- 5.5380 -3.1178 0.0000 H 0 0 0
- 5.1010 -1.7804 0.0000 H 0 0 0
- 3.5680 3.4714 0.0000 H 0 0 0
- 2.4900 4.3755 0.0000 H 0 0 0
- 1.5859 3.2976 0.0000 H 0 0 0
- -5.3041 -0.4285 0.0000 H 0 0 0
- -5.9880 -1.6580 0.0000 H 0 0 0
- -4.7585 -2.3419 0.0000 H 0 0 0
- -4.1481 0.4060 0.0000 H 0 0 0
- -5.5483 0.5438 0.0000 H 0 0 0
- -5.6861 -0.8564 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 14 19 1 0
- 10 13 1 0
- 5 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90147-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -1.5315 0.0472 -0.0041 C 0 0 0
- -2.6930 -0.6398 -0.0034 O 0 0 0
- -1.8376 1.3928 -0.0013 C 0 0 0
- -0.2315 -0.5125 -0.0020 C 0 0 0
- -3.7201 0.2209 -0.0003 C 0 0 0
- -3.2375 1.4835 0.0011 C 0 0 0
- 0.8568 0.2990 -0.0030 C 0 0 0
- -5.1530 -0.1513 0.0018 N 0 3 0
- 2.1546 -0.2596 -0.0008 C 0 0 0
- -6.0076 0.7166 0.0047 O 0 0 0
- -5.4773 -1.3253 0.0007 O 0 5 0
- 3.2368 0.5473 -0.0018 O 0 0 0
- 2.2967 -1.4684 0.0020 O 0 0 0
- 4.3857 -0.3025 0.0009 C 0 0 0
- 5.6535 0.5539 -0.0001 C 0 0 0
- 6.8835 -0.3560 0.0028 C 0 0 0
- 8.1514 0.5004 0.0018 C 0 0 0
- -1.1662 2.1804 0.0000 H 0 0 0
- -0.1106 -1.5404 0.0000 H 0 0 0
- -3.7964 2.3546 0.0000 H 0 0 0
- 0.7358 1.3269 0.0000 H 0 0 0
- 3.6801 -1.0597 0.0000 H 0 0 0
- 5.0583 -1.0892 0.0000 H 0 0 0
- 6.3591 1.3111 0.0000 H 0 0 0
- 4.9809 1.3406 0.0000 H 0 0 0
- 6.1779 -1.1132 0.0000 H 0 0 0
- 7.5560 -1.1427 0.0000 H 0 0 0
- 8.7307 -0.3573 0.0000 H 0 0 0
- 9.0091 1.0797 0.0000 H 0 0 0
- 7.5721 1.3581 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-494-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.1269 0.1047 -0.2700 C 0 0 0
- -1.2430 -0.0552 -0.0531 N 0 0 0
- 1.0111 -0.1186 0.7623 C 0 0 0
- 0.5883 0.4848 -1.5363 C 0 0 0
- -1.9125 -1.2880 -0.4752 C 0 0 0
- -2.0110 1.0098 0.5967 C 0 0 0
- 2.3884 0.0428 0.5402 C 0 0 0
- 1.9161 0.6473 -1.7759 C 0 0 0
- -1.5414 -2.4231 0.4812 C 0 0 0
- -2.4008 2.0637 -0.4416 C 0 0 0
- 2.8461 0.4330 -0.7434 C 0 0 0
- 3.3222 -0.1762 1.5681 C 0 0 0
- -2.3654 -3.9403 -0.0383 Cl 0 0 0
- -3.3459 3.3745 0.3581 Cl 0 0 0
- 4.2250 0.5932 -0.9627 C 0 0 0
- 4.6498 -0.0111 1.3184 C 0 0 0
- 5.0998 0.3725 0.0563 C 0 0 0
- 0.9497 -1.0568 0.0000 H 0 0 0
- 0.2175 1.3488 0.0000 H 0 0 0
- -2.6005 -0.6471 0.0000 H 0 0 0
- -2.7049 -1.7941 0.0000 H 0 0 0
- -2.9483 1.0842 0.0000 H 0 0 0
- -2.4721 0.1904 0.0000 H 0 0 0
- 1.9653 1.5862 0.0000 H 0 0 0
- -0.8534 -3.0640 0.0000 H 0 0 0
- -0.7490 -1.9170 0.0000 H 0 0 0
- -1.4635 1.9893 0.0000 H 0 0 0
- -1.9396 2.8831 0.0000 H 0 0 0
- 3.2721 -1.1151 0.0000 H 0 0 0
- 4.2868 1.5314 0.0000 H 0 0 0
- 5.0287 -0.8716 0.0000 H 0 0 0
- 6.0154 0.5863 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 8 11 1 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17526-24-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 1.3821 -0.5028 0.0298 C 0 0 0
- 0.2818 0.4079 0.3513 C 0 0 0
- 2.7436 0.0437 -0.0656 C 0 0 0
- 1.1411 -1.8512 -0.1736 C 0 0 0
- -1.0180 -0.0751 0.4500 C 0 0 0
- 0.5683 1.8253 0.5665 C 0 0 0
- 2.9503 1.4216 0.1538 C 0 0 0
- 3.8282 -0.7809 -0.3689 C 0 0 0
- -0.1636 -2.3437 -0.0705 C 0 0 0
- -1.2681 -1.4335 0.2407 C 0 0 0
- -2.1511 0.8616 0.7814 C 0 0 0
- 1.8261 2.2962 0.4722 C 0 0 0
- 4.2494 1.9409 0.0623 C 0 0 0
- 5.0920 -0.2413 -0.4512 C 0 0 0
- -0.4456 -3.7096 -0.2711 C 0 0 0
- -2.5735 -1.9582 0.3322 C 0 0 0
- -2.7058 1.4035 -0.4462 O 0 0 0
- 5.2945 1.1159 -0.2358 C 0 0 0
- -1.7257 -4.1526 -0.1628 C 0 0 0
- -2.7788 -3.2847 0.1219 C 0 0 0
- -3.7322 2.2669 -0.3950 C 0 0 0
- -4.3080 2.8293 -1.6691 C 0 0 0
- -4.1946 2.5932 0.6725 O 0 0 0
- 1.9358 -2.5116 0.0000 H 0 0 0
- -0.2180 2.4957 0.0000 H 0 0 0
- 3.7012 -1.8063 0.0000 H 0 0 0
- -3.1379 0.5551 0.0000 H 0 0 0
- -2.3512 -0.1521 0.0000 H 0 0 0
- 1.9820 3.3176 0.0000 H 0 0 0
- 4.3977 2.9635 0.0000 H 0 0 0
- 5.9097 -0.8729 0.0000 H 0 0 0
- 0.3308 -4.3914 0.0000 H 0 0 0
- -3.3827 -1.3157 0.0000 H 0 0 0
- 6.2551 1.4965 0.0000 H 0 0 0
- -1.9087 -5.1695 0.0000 H 0 0 0
- -3.7444 -3.6525 0.0000 H 0 0 0
- -3.5860 3.5685 0.0000 H 0 0 0
- -5.0472 3.5513 0.0000 H 0 0 0
- -5.0300 2.0901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 17 21 1 0
- 21 22 1 0
- 21 23 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 1 0
- 19 20 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141691-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.3371 0.3244 -0.0035 C 0 0 0
- 0.5542 -1.0659 -0.0007 C 0 0 0
- 1.5934 0.9104 -0.0015 N 0 0 0
- -0.9520 0.8230 -0.0024 C 0 0 0
- 1.8964 -1.2592 0.0028 N 0 0 0
- -0.5401 -1.9392 -0.0018 C 0 0 0
- 2.5100 -0.1005 0.0023 C 0 0 0
- 1.8830 2.3465 -0.0037 C 0 0 0
- -2.0327 -0.0603 0.0016 C 0 0 0
- -1.8093 -1.4441 -0.0057 C 0 0 0
- 3.8766 0.0708 0.0044 N 0 0 0
- -3.3715 0.4478 0.0028 C 0 0 0
- -4.4336 0.8509 0.0038 N 0 0 0
- -1.1154 1.8482 0.0000 H 0 0 0
- -0.3841 -2.9656 0.0000 H 0 0 0
- 2.9007 2.1413 0.0000 H 0 0 0
- 2.0882 3.3642 0.0000 H 0 0 0
- 0.8653 2.5517 0.0000 H 0 0 0
- -2.6169 -2.0964 0.0000 H 0 0 0
- 4.5035 -0.7567 0.0000 H 0 0 0
- 4.2798 1.0274 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 12 13 3 0
- 5 7 2 0
- 9 10 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142457-04-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.7776 0.2193 -0.3722 C 0 0 0
- 0.3305 -0.8483 -0.3802 C 0 0 0
- -0.3946 -0.4824 -1.5563 O 0 0 0
- -0.0698 1.5442 -0.2462 C 0 0 0
- -2.1282 0.0275 0.2682 C 0 0 0
- 1.6308 -0.0392 -0.2465 C 0 0 0
- 0.2238 -2.2255 0.2778 C 0 0 0
- 1.2554 1.3719 -0.1775 N 0 0 0
- -0.6264 2.6212 -0.2122 O 0 0 0
- -2.9351 -0.9602 -0.1502 O 0 0 0
- -2.4848 0.7628 1.1582 O 0 0 0
- 2.3677 -0.4452 1.0314 C 0 0 0
- 2.4659 -0.2690 -1.3831 O 0 0 0
- -4.2365 -1.1450 0.4667 C 0 0 0
- 3.2731 -1.6435 0.7393 C 0 0 0
- 3.2174 0.7276 1.5247 C 0 0 0
- -0.7755 -2.1481 0.0000 H 0 0 0
- 0.1464 -3.2248 0.0000 H 0 0 0
- 1.2231 -2.3029 0.0000 H 0 0 0
- 1.9163 2.1254 0.0000 H 0 0 0
- 1.7116 -1.2029 0.0000 H 0 0 0
- 3.4322 -0.5349 0.0000 H 0 0 0
- -4.3774 -0.1527 0.0000 H 0 0 0
- -5.2288 -1.2859 0.0000 H 0 0 0
- -4.0956 -2.1373 0.0000 H 0 0 0
- 2.4734 -2.2477 0.0000 H 0 0 0
- 3.8773 -2.4432 0.0000 H 0 0 0
- 4.0728 -1.0393 0.0000 H 0 0 0
- 4.0290 0.1396 0.0000 H 0 0 0
- 3.8054 1.5392 0.0000 H 0 0 0
- 2.4058 1.3156 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 10 14 1 0
- 12 15 1 0
- 12 16 1 0
- 2 3 1 0
- 6 8 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7779-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 1.7435 -0.1548 0.1317 C 0 0 0
- 0.3470 0.1904 0.4476 C 0 0 0
- 2.6982 0.8587 -0.0497 C 0 0 0
- 2.1284 -1.4938 0.0162 C 0 0 0
- -0.6426 -0.1676 -0.3943 O 0 0 0
- 0.0870 0.7981 1.4674 O 0 0 0
- 4.0126 0.5195 -0.3469 C 0 0 0
- 2.3309 2.1924 0.0668 N 0 0 0
- 3.4360 -1.8097 -0.2790 C 0 0 0
- -2.0194 0.1727 -0.0829 C 0 0 0
- 4.3750 -0.8065 -0.4626 C 0 0 0
- -2.8038 0.3644 -1.3824 C 0 0 0
- -2.6519 -0.9568 0.7327 C 0 0 0
- -4.2545 0.7230 -1.0543 C 0 0 0
- -4.1027 -0.5982 1.0609 C 0 0 0
- -4.8871 -0.4065 -0.2387 C 0 0 0
- 1.4155 -2.2380 0.0000 H 0 0 0
- 4.7361 1.2534 0.0000 H 0 0 0
- 3.0545 2.9262 0.0000 H 0 0 0
- 1.3336 2.4522 0.0000 H 0 0 0
- 3.7314 -2.7970 0.0000 H 0 0 0
- -1.7734 1.1735 0.0000 H 0 0 0
- 5.3753 -1.0543 0.0000 H 0 0 0
- -3.5175 -0.3790 0.0000 H 0 0 0
- -2.5160 -0.6252 0.0000 H 0 0 0
- -2.9875 -1.9312 0.0000 H 0 0 0
- -1.7114 -1.3780 0.0000 H 0 0 0
- -3.9189 1.6974 0.0000 H 0 0 0
- -5.1950 1.1443 0.0000 H 0 0 0
- -3.3890 0.1452 0.0000 H 0 0 0
- -4.3905 0.3914 0.0000 H 0 0 0
- -5.8280 0.0140 0.0000 H 0 0 0
- -5.2210 -1.3815 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-580-19-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.2827 0.5969 -0.0028 C 0 0 0
- -0.4983 -0.8045 -0.0009 C 0 0 0
- 1.0329 1.0871 -0.0024 C 0 0 0
- -1.3279 1.4311 0.0006 N 0 0 0
- 0.6007 -1.6805 0.0018 C 0 0 0
- -1.8181 -1.2903 -0.0013 C 0 0 0
- 2.0889 0.2021 -0.0002 C 0 0 0
- -2.5597 0.9805 0.0058 C 0 0 0
- 1.8645 -1.1806 0.0025 C 0 0 0
- -2.8403 -0.3830 -0.0035 C 0 0 0
- 3.3958 0.6883 0.0001 N 0 0 0
- 1.2101 2.1169 0.0000 H 0 0 0
- 0.4465 -2.7140 0.0000 H 0 0 0
- -2.0120 -2.3171 0.0000 H 0 0 0
- -3.3511 1.6628 0.0000 H 0 0 0
- 2.6786 -1.8356 0.0000 H 0 0 0
- -3.8319 -0.7127 0.0000 H 0 0 0
- 4.2010 0.0223 0.0000 H 0 0 0
- 3.5699 1.7186 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2186-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.4571 0.5572 -0.0746 C 0 0 0
- -0.8216 1.0130 -0.1398 O 0 0 0
- 1.5103 1.4546 0.0283 C 0 0 0
- 0.7111 -0.8061 -0.1051 C 0 0 0
- -1.6651 -0.1362 -0.2388 C 0 0 0
- 2.8090 0.9889 0.0943 C 0 0 0
- 2.0119 -1.2669 -0.0388 C 0 0 0
- -3.1268 0.3093 -0.3162 C 0 0 0
- 3.0599 -0.3705 0.0579 C 0 0 0
- -4.0300 -0.9211 -0.4223 C 0 0 0
- -3.8437 -0.2123 0.8045 O 0 0 0
- 4.4778 -0.8759 0.1296 C 0 0 0
- 1.3240 2.4745 0.0000 H 0 0 0
- -0.0770 -1.4798 0.0000 H 0 0 0
- -2.0767 -1.0878 0.0000 H 0 0 0
- -0.7657 -0.6520 0.0000 H 0 0 0
- 3.5990 1.6604 0.0000 H 0 0 0
- 2.2012 -2.2863 0.0000 H 0 0 0
- -3.2987 1.3317 0.0000 H 0 0 0
- -5.0565 -1.0670 0.0000 H 0 0 0
- -3.4975 -1.8107 0.0000 H 0 0 0
- 4.1297 -1.8525 0.0000 H 0 0 0
- 5.4544 -1.2240 0.0000 H 0 0 0
- 4.8259 0.1007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 1 0
- 9 12 1 0
- 7 9 2 0
- 10 11 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.0780 0.7713 0.0735 C 0 0 0
- -1.0779 -0.7713 0.0735 C 0 0 0
- 0.3860 1.1724 -0.2078 C 0 0 0
- 0.3861 -1.1724 -0.2079 C 0 0 0
- 1.1863 0.0000 0.2304 N 0 0 0
- -1.2799 1.8917 0.0000 H 0 0 0
- -2.2119 0.6699 0.0000 H 0 0 0
- -2.2118 -0.6700 0.0000 H 0 0 0
- -1.2798 -1.8917 0.0000 H 0 0 0
- 1.3913 1.7066 0.0000 H 0 0 0
- -0.0341 2.2305 0.0000 H 0 0 0
- -0.0340 -2.2305 0.0000 H 0 0 0
- 1.3915 -1.7066 0.0000 H 0 0 0
- 2.3248 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-82-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- -0.1392 -0.2948 -0.0594 N 0 0 0
- 0.7520 -1.4129 -0.3963 C 0 0 0
- 0.4168 0.8991 -0.7100 C 0 0 0
- -1.4266 -0.5699 -0.7113 C 0 0 0
- 2.1186 -1.1897 0.2543 C 0 0 0
- 0.4148 2.0665 0.2789 C 0 0 0
- -2.5293 -0.6405 0.3470 C 0 0 0
- 3.0469 -2.3542 -0.0966 C 0 0 0
- 0.8767 3.3392 -0.4336 C 0 0 0
- -3.8465 -1.0494 -0.3154 C 0 0 0
- 4.4135 -2.1310 0.5540 C 0 0 0
- 0.8746 4.5067 0.5554 C 0 0 0
- -4.9492 -1.1200 0.7429 C 0 0 0
- -0.1257 -1.8954 0.0000 H 0 0 0
- 1.0787 -2.3597 0.0000 H 0 0 0
- 1.1048 0.1712 0.0000 H 0 0 0
- 1.3472 1.2701 0.0000 H 0 0 0
- -1.8266 -1.4882 0.0000 H 0 0 0
- -0.7927 -1.3454 0.0000 H 0 0 0
- 2.9963 -0.7072 0.0000 H 0 0 0
- 1.7919 -0.2429 0.0000 H 0 0 0
- -0.3146 2.7530 0.0000 H 0 0 0
- -0.5043 1.6685 0.0000 H 0 0 0
- -2.1572 0.2894 0.0000 H 0 0 0
- -3.2088 0.0954 0.0000 H 0 0 0
- 2.1692 -2.8367 0.0000 H 0 0 0
- 3.3736 -3.3010 0.0000 H 0 0 0
- 1.6061 2.6527 0.0000 H 0 0 0
- 1.7958 3.7373 0.0000 H 0 0 0
- -4.2186 -1.9793 0.0000 H 0 0 0
- -3.1670 -1.7853 0.0000 H 0 0 0
- 4.5749 -3.1195 0.0000 H 0 0 0
- 5.4020 -1.9696 0.0000 H 0 0 0
- 4.2521 -1.1425 0.0000 H 0 0 0
- 1.8762 4.5085 0.0000 H 0 0 0
- 0.8728 5.5083 0.0000 H 0 0 0
- -0.1270 4.5049 0.0000 H 0 0 0
- -5.0132 -0.1204 0.0000 H 0 0 0
- -5.9488 -1.1840 0.0000 H 0 0 0
- -4.8852 -2.1196 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 13 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10560-74-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.8312 0.1433 0.1322 N 0 0 0
- 0.4528 0.3227 0.1182 C 0 0 0
- 2.8282 1.2133 0.2853 C 0 0 0
- 2.4620 -1.0324 0.0139 C 0 0 0
- -0.8005 -0.8665 -0.0558 S 0 0 0
- -0.2387 1.4390 0.2396 N 0 0 0
- 4.1776 0.4711 0.2314 C 0 0 0
- 2.7284 2.1767 -0.8990 C 0 0 0
- 3.7975 -0.9389 0.0579 N 0 0 0
- 1.8755 -2.0889 -0.1206 O 0 0 0
- -2.1938 0.2479 0.0426 C 0 0 0
- -1.5572 1.4332 0.2048 C 0 0 0
- -3.6436 -0.0437 -0.0288 N 0 3 0
- -4.4522 0.8629 0.0593 O 0 0 0
- -4.0277 -1.1902 -0.1758 O 0 5 0
- 1.8738 1.5332 0.0000 H 0 0 0
- 5.1255 0.1324 0.0000 H 0 0 0
- 4.5908 1.3890 0.0000 H 0 0 0
- 3.7296 2.2804 0.0000 H 0 0 0
- 2.6247 3.1779 0.0000 H 0 0 0
- 1.7272 2.0730 0.0000 H 0 0 0
- 4.4372 -1.7161 0.0000 H 0 0 0
- -2.0757 2.2959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 11 13 1 0
- 13 14 2 0
- 13 15 1 0
- 7 9 1 0
- 11 12 2 0
- 3 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3083-25-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.5347 0.0097 -0.0995 C 0 0 0
- -0.7428 0.1515 -0.9295 C 0 0 0
- 0.8454 1.5455 0.7925 Cl 0 0 0
- 0.3389 -1.3407 1.0789 Cl 0 0 0
- 1.9251 -0.3427 -1.1919 Cl 0 0 0
- -1.9227 0.4505 -0.0025 C 0 0 0
- -3.2001 0.5923 -0.8325 C 0 0 0
- -2.8878 -0.5982 -0.1065 O 0 0 0
- -1.4024 -0.5917 0.0000 H 0 0 0
- -0.3861 -0.7760 0.0000 H 0 0 0
- -1.7454 1.4283 0.0000 H 0 0 0
- -3.2118 1.5859 0.0000 H 0 0 0
- -4.1849 0.4594 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-01-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5322 0.0001 -0.0012 C 0 0 0
- -2.0122 0.0000 -0.0006 N 0 3 0
- 0.1575 1.1984 0.0005 C 0 0 0
- 0.1578 -1.1986 0.0024 C 0 0 0
- -2.6212 -1.0548 -0.0020 O 0 0 0
- -2.6213 1.0548 0.0013 O 0 5 0
- 1.5388 1.2020 0.0004 C 0 0 0
- 1.5386 -1.2022 0.0024 C 0 0 0
- 2.2348 0.0001 -0.0013 C 0 0 0
- 3.6315 0.0001 -0.0014 N 0 0 0
- -0.3628 2.0956 0.0000 H 0 0 0
- -0.3625 -2.0958 0.0000 H 0 0 0
- 2.0556 2.1012 0.0000 H 0 0 0
- 2.0554 -2.1014 0.0000 H 0 0 0
- 4.1501 -0.8981 0.0000 H 0 0 0
- 4.1501 0.8983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104789-46-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 2.9666 -0.4923 -0.0011 C 0 0 0
- 1.7366 0.1718 -0.0007 C 0 0 0
- 4.1560 0.2821 -0.0005 C 0 0 0
- 3.3518 -1.7793 0.0033 N 0 0 0
- 0.2226 -0.7296 -0.0008 S 0 0 0
- 1.7390 1.5329 0.0003 N 0 0 0
- 5.1645 -0.5871 -0.0011 N 0 0 0
- 4.0666 1.6250 0.0005 N 0 0 0
- 4.6672 -1.8164 0.0000 C 0 0 0
- -1.3150 0.1309 -0.0003 C 0 0 0
- 2.9090 2.2209 0.0008 C 0 0 0
- -2.4731 -0.5586 -0.0004 N 0 0 0
- -1.3313 1.3465 0.0002 O 0 0 0
- -3.7515 0.1568 0.0000 C 0 0 0
- -4.9010 -0.8529 -0.0002 C 0 0 0
- -6.4744 0.0276 0.0003 Cl 0 0 0
- 0.8558 2.0391 0.0000 H 0 0 0
- 5.2243 -2.6684 0.0000 H 0 0 0
- 2.8804 3.2385 0.0000 H 0 0 0
- -2.4594 -1.5765 0.0000 H 0 0 0
- -3.1571 0.9832 0.0000 H 0 0 0
- -4.5055 0.8408 0.0000 H 0 0 0
- -5.4954 -1.6793 0.0000 H 0 0 0
- -4.1470 -1.5369 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 7 9 1 0
- 8 11 2 0
- 6 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122587-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.1455 0.7898 0.0025 C 0 0 0
- -0.8137 -0.5526 0.0014 C 0 0 0
- 0.0049 1.4980 0.0019 O 0 0 0
- -2.4514 1.3240 -0.0013 C 0 0 0
- 0.5882 -0.6160 0.0001 C 0 0 0
- -1.9145 -1.8950 0.0024 Cl 0 0 0
- 1.0467 0.6568 0.0005 C 0 0 0
- -2.6546 2.8173 0.0006 C 0 0 0
- -3.4118 0.5804 -0.0060 O 0 0 0
- 1.5539 -2.0586 -0.0016 Cl 0 0 0
- 2.4722 1.0557 -0.0001 N 0 3 0
- 2.7743 2.2356 0.0013 O 0 0 0
- 3.3429 0.2041 -0.0018 O 0 5 0
- -1.6270 2.9571 0.0000 H 0 0 0
- -2.7944 3.8449 0.0000 H 0 0 0
- -3.6822 2.6775 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 5 7 2 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130040-14-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 2.0261 0.1443 0.1244 C 0 0 0
- 3.2944 0.7360 0.0552 N 0 0 0
- 1.2626 0.2715 1.2777 C 0 0 0
- 1.5305 -0.5642 -0.9621 C 0 0 0
- 4.3645 -0.0032 -0.2984 C 0 0 0
- 3.4519 2.1105 0.3568 O 0 0 0
- 0.0132 -0.3107 1.3461 C 0 0 0
- 0.2808 -1.1469 -0.8945 C 0 0 0
- 5.0588 -0.8624 0.7268 C 0 0 0
- 4.7687 0.0230 -1.4417 O 0 0 0
- -0.4810 -1.0243 0.2608 C 0 0 0
- -2.0761 -1.7678 0.3476 S 0 0 0
- -3.0880 -0.3570 0.0469 C 0 0 0
- -4.2679 -0.4874 -0.6754 C 0 0 0
- -2.7107 0.8880 0.5365 C 0 0 0
- -5.0584 0.6206 -0.9092 C 0 0 0
- -3.5060 1.9912 0.2989 C 0 0 0
- -4.6771 1.8587 -0.4255 C 0 0 0
- 1.1308 1.2380 0.0000 H 0 0 0
- 2.1577 -1.3113 0.0000 H 0 0 0
- 3.5629 3.0796 0.0000 H 0 0 0
- -0.6156 0.4350 0.0000 H 0 0 0
- 0.4153 -2.1130 0.0000 H 0 0 0
- 4.3001 -1.4755 0.0000 H 0 0 0
- 5.6719 -1.6211 0.0000 H 0 0 0
- 5.8175 -0.2493 0.0000 H 0 0 0
- -4.6661 -1.3779 0.0000 H 0 0 0
- -1.7485 1.0484 0.0000 H 0 0 0
- -6.0213 0.4647 0.0000 H 0 0 0
- -3.1111 2.8831 0.0000 H 0 0 0
- -5.2998 2.6095 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 8 11 2 0
- 17 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94339-55-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.5678 -0.1967 -0.0305 C 0 0 0
- -1.9555 0.0294 0.0029 C 0 0 0
- 0.3196 0.9003 0.0172 C 0 0 0
- -0.0748 -1.5190 -0.1172 C 0 0 0
- -2.4481 1.3511 0.0813 C 0 0 0
- -2.8452 -1.0675 -0.0429 C 0 0 0
- 1.7044 0.6497 -0.0150 C 0 0 0
- -0.1988 2.2116 0.0949 C 0 0 0
- 1.3084 -1.7301 -0.1500 C 0 0 0
- -0.9893 -2.5980 -0.1678 C 0 0 0
- -1.5345 2.4314 0.1243 C 0 0 0
- -3.8308 1.5547 0.1139 C 0 0 0
- -2.3242 -2.3815 -0.1238 C 0 0 0
- -4.2202 -0.8219 -0.0077 C 0 0 0
- 2.1779 -0.6637 -0.0964 C 0 0 0
- 2.6711 1.7609 0.0368 C 0 0 0
- -4.6911 0.4750 0.0698 C 0 0 0
- 3.6662 -0.9041 -0.1298 C 0 0 0
- 3.9194 1.5631 -0.3722 C 0 0 0
- 4.3566 0.2228 -0.8949 C 0 0 0
- 4.1711 -0.9517 1.2062 O 0 0 0
- 0.4632 3.0324 0.0000 H 0 0 0
- 1.6874 -2.7141 0.0000 H 0 0 0
- -0.6243 -3.5873 0.0000 H 0 0 0
- -1.8989 3.4209 0.0000 H 0 0 0
- -4.2179 2.5356 0.0000 H 0 0 0
- -2.9848 -3.2034 0.0000 H 0 0 0
- -4.8992 -1.6287 0.0000 H 0 0 0
- 2.3107 2.7519 0.0000 H 0 0 0
- -5.7318 0.6453 0.0000 H 0 0 0
- 3.5326 -1.9501 0.0000 H 0 0 0
- 4.6038 2.3653 0.0000 H 0 0 0
- 5.1026 -0.5225 0.0000 H 0 0 0
- 5.2553 0.7745 0.0000 H 0 0 0
- 5.2209 -1.0507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 1 0
- 18 21 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 19 20 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-479-92-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.2564 -0.2321 -0.0023 N 0 0 0
- -1.6305 0.0276 -0.0013 C 0 0 0
- 0.7278 0.6901 -0.0001 C 0 0 0
- 0.3461 -1.4971 0.0005 N 0 0 0
- -2.3162 0.1511 -1.2026 C 0 0 0
- -2.3137 0.1569 1.2013 C 0 0 0
- 1.9620 -0.0008 -0.0021 C 0 0 0
- 0.5804 1.8990 0.0026 O 0 0 0
- 1.7011 -1.3238 -0.0016 C 0 0 0
- -0.3557 -2.7831 0.0054 C 0 0 0
- -3.6735 0.4076 -1.1982 C 0 0 0
- -3.6705 0.4133 1.1987 C 0 0 0
- 3.3299 0.6314 -0.0016 C 0 0 0
- 2.7302 -2.4247 0.0002 C 0 0 0
- -4.3494 0.5414 0.0005 C 0 0 0
- 3.4896 1.5026 -1.2491 C 0 0 0
- 3.4909 1.4976 1.2493 C 0 0 0
- -2.5009 -0.8500 0.0000 H 0 0 0
- -2.1245 1.1572 0.0000 H 0 0 0
- -1.2493 -2.2954 0.0000 H 0 0 0
- -0.8434 -3.6767 0.0000 H 0 0 0
- 0.5379 -3.2708 0.0000 H 0 0 0
- -3.8669 -0.5919 0.0000 H 0 0 0
- -3.4816 1.4137 0.0000 H 0 0 0
- 4.1336 0.0066 0.0000 H 0 0 0
- 1.9865 -3.1199 0.0000 H 0 0 0
- 3.4254 -3.1684 0.0000 H 0 0 0
- 3.4739 -1.7295 0.0000 H 0 0 0
- -5.3489 0.7346 0.0000 H 0 0 0
- 4.4910 1.3190 0.0000 H 0 0 0
- 3.6732 2.5040 0.0000 H 0 0 0
- 2.4882 1.6862 0.0000 H 0 0 0
- 4.4918 1.3116 0.0000 H 0 0 0
- 3.6769 2.4985 0.0000 H 0 0 0
- 2.4900 1.6836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 13 17 1 0
- 7 9 2 0
- 12 15 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.8818 -0.3616 0.0982 C 0 0 0
- -0.4798 0.0919 0.5579 C 0 0 0
- 1.9630 0.3897 0.3595 O 0 0 0
- 1.0009 -1.4039 -0.5011 O 0 0 0
- -0.8663 1.6863 -0.1900 Cl 0 0 0
- -1.7171 -1.1212 0.0598 Cl 0 0 0
- 3.2750 -0.0473 -0.0834 C 0 0 0
- 0.2980 0.8072 0.0000 H 0 0 0
- 2.9411 -1.0499 0.0000 H 0 0 0
- 4.2776 -0.3812 0.0000 H 0 0 0
- 3.6089 0.9553 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 2 8 1 0
- 7 9 1 0
- 7 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-538-74-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 2.6877 -0.0006 0.4766 C 0 0 0
- 1.3896 -0.0017 1.2422 C 0 0 0
- 3.2831 1.1972 0.1271 C 0 0 0
- 3.2859 -1.1971 0.1289 C 0 0 0
- 0.0000 -0.0002 0.0761 S 0 0 0
- 4.4736 1.1982 -0.5751 C 0 0 0
- 4.4768 -1.1961 -0.5734 C 0 0 0
- -1.3896 -0.0018 1.2422 C 0 0 0
- 5.0690 0.0014 -0.9279 C 0 0 0
- -2.6877 -0.0008 0.4766 C 0 0 0
- -3.2829 -1.1973 0.1240 C 0 0 0
- -3.2861 1.1969 0.1320 C 0 0 0
- -4.4738 -1.1965 -0.5784 C 0 0 0
- -4.4766 1.1978 -0.5701 C 0 0 0
- -5.0690 0.0009 -0.9279 C 0 0 0
- 0.8882 -0.8693 0.0000 H 0 0 0
- 1.8908 -0.8695 0.0000 H 0 0 0
- 2.7549 2.0488 0.0000 H 0 0 0
- 2.7594 -2.0498 0.0000 H 0 0 0
- 5.0009 2.0503 0.0000 H 0 0 0
- 5.0059 -2.0472 0.0000 H 0 0 0
- -1.8908 -0.8696 0.0000 H 0 0 0
- -0.8881 -0.8694 0.0000 H 0 0 0
- 6.0711 0.0026 0.0000 H 0 0 0
- -2.7555 -2.0494 0.0000 H 0 0 0
- -2.7588 2.0491 0.0000 H 0 0 0
- -5.0019 -2.0482 0.0000 H 0 0 0
- -5.0048 2.0494 0.0000 H 0 0 0
- -6.0711 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 10 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 2 0
- 14 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6795-23-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 1.3714 0.0562 0.1960 C 0 0 0
- 0.0089 0.2776 0.2259 C 0 0 0
- 2.5475 1.0056 0.3033 C 0 0 1
- 1.8866 -1.2285 0.0672 C 0 0 0
- -0.8696 -0.8257 0.0868 C 0 0 0
- -0.4753 1.5302 0.4141 O 0 0 0
- 3.7266 0.0239 0.5906 C 0 0 1
- 2.9020 1.5062 -1.0842 C 0 0 0
- 2.3797 2.0299 1.2855 O 0 0 0
- 3.2458 -1.2117 0.0401 O 0 0 0
- 1.0153 -2.3191 -0.0189 C 0 0 0
- -2.2504 -0.5616 0.0283 C 0 0 0
- -0.3505 -2.1281 -0.0044 C 0 0 0
- -1.7135 1.8612 -0.0436 C 0 0 0
- 4.7490 0.5433 -0.2812 O 0 0 0
- 4.1575 1.1881 -1.3114 C 0 0 0
- -2.7022 0.7637 -0.0261 C 0 0 0
- -3.4207 -1.4920 0.0155 C 0 0 0
- -1.1882 -3.1919 -0.0781 O 0 0 0
- -1.9862 2.9793 -0.4384 O 0 0 0
- -4.1460 0.8221 -0.0664 C 0 0 0
- -4.6730 -0.5978 -0.0440 C 0 0 0
- -0.3675 -4.3589 -0.1599 C 0 0 0
- -4.8182 1.8318 -0.1104 O 0 0 0
- 4.4950 -0.6720 0.0000 H 0 0 0
- 2.5434 2.4789 0.0000 H 0 0 0
- 2.2121 3.0530 0.0000 H 0 0 0
- 1.3988 -3.2823 0.0000 H 0 0 0
- 4.6890 2.0782 0.0000 H 0 0 0
- -4.0989 -2.2761 0.0000 H 0 0 0
- -2.7030 -2.2401 0.0000 H 0 0 0
- -5.6093 -0.1528 0.0000 H 0 0 0
- -5.1987 -1.4913 0.0000 H 0 0 0
- -1.2155 -4.9553 0.0000 H 0 0 0
- 0.2289 -5.2069 0.0000 H 0 0 0
- 0.4805 -3.7625 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 5 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 12 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 2 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 21 24 2 0
- 7 10 1 0
- 11 13 1 0
- 14 17 1 0
- 15 16 1 0
- 21 22 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 16 29 1 0
- 18 30 1 0
- 18 31 1 0
- 22 32 1 0
- 22 33 1 0
- 23 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.4786 0.1150 -0.0012 C 0 0 0
- -0.9746 0.2976 -0.0002 C 0 0 0
- 1.4133 1.1118 -0.0002 C 0 0 0
- 1.1294 -1.0671 0.0025 O 0 0 0
- -1.7895 -0.7774 -0.0014 O 0 0 0
- -1.4467 1.4185 0.0017 O 0 0 0
- 2.6694 0.4867 -0.0018 C 0 0 0
- 2.4503 -0.8471 0.0001 C 0 0 0
- -3.2302 -0.5964 -0.0004 C 0 0 0
- 1.2339 2.1096 0.0000 H 0 0 0
- 3.5718 0.9486 0.0000 H 0 0 0
- 3.1679 -1.5631 0.0000 H 0 0 0
- -3.1038 0.4094 0.0000 H 0 0 0
- -4.2361 -0.4700 0.0000 H 0 0 0
- -3.3566 -1.6022 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 8 2 0
- 3 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-78-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.8639 -0.4520 -0.0029 C 0 0 0
- -0.3681 -1.2459 -0.0258 C 0 0 0
- 0.7627 0.9573 0.0189 C 0 0 0
- 2.1228 -1.0556 0.0036 C 0 0 0
- -1.6102 -0.5715 -0.0252 C 0 0 0
- -0.3384 -2.6412 -0.0484 C 0 0 0
- -0.5110 1.5723 0.0187 C 0 0 0
- 1.9348 1.7264 0.0409 C 0 0 0
- 3.2458 -0.2786 0.0255 C 0 0 0
- -2.7946 -1.3209 -0.0469 C 0 0 0
- -1.6442 0.8423 -0.0033 C 0 0 0
- -1.5103 -3.3430 -0.0697 C 0 0 0
- -0.6017 3.0497 0.0416 N 0 3 0
- 3.1506 1.1079 0.0410 C 0 0 0
- 4.5796 -0.9205 0.0328 N 0 3 0
- -2.7334 -2.6837 -0.0683 C 0 0 0
- -4.1070 -0.6361 -0.0463 N 0 3 0
- -1.3500 3.6017 0.8283 O 0 0 0
- 0.0720 3.7132 -0.7262 O 0 5 0
- 5.5857 -0.2342 0.0524 O 0 0 0
- 4.6711 -2.1350 0.0193 O 0 5 0
- -4.9853 -1.0036 0.7134 O 0 0 0
- -4.3086 0.2948 -0.8054 O 0 5 0
- 2.2052 -2.0947 0.0000 H 0 0 0
- 0.5738 -3.1455 0.0000 H 0 0 0
- 1.8774 2.7671 0.0000 H 0 0 0
- -2.5652 1.3303 0.0000 H 0 0 0
- -1.4868 -4.3851 0.0000 H 0 0 0
- 4.0200 1.6829 0.0000 H 0 0 0
- -3.6162 -3.2379 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 13 18 2 0
- 13 19 1 0
- 15 20 2 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 7 11 2 0
- 9 14 1 0
- 12 16 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1689-89-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 2.0217 -0.5279 -0.0138 C 0 0 0
- 0.6545 -0.7735 0.0037 C 0 0 0
- 2.4908 0.7673 -0.0382 C 0 0 0
- 2.9760 -1.6593 0.0001 N 0 3 0
- -0.2462 0.2856 -0.0029 C 0 0 0
- 0.1966 -2.0514 0.0278 O 0 0 0
- 1.5893 1.8349 -0.0455 C 0 0 0
- 3.9604 -1.6170 0.7161 O 0 0 0
- 2.7768 -2.6326 -0.7046 O 0 5 0
- 0.2144 1.5837 -0.0274 C 0 0 0
- -2.3065 -0.0930 0.0235 I 0 0 0
- 2.0727 3.1826 -0.0709 C 0 0 0
- 2.4562 4.2517 -0.0910 N 0 0 0
- 3.5164 0.9506 0.0000 H 0 0 0
- -0.1548 -3.0322 0.0000 H 0 0 0
- -0.4609 2.3770 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 12 13 3 0
- 7 10 1 0
- 3 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.7541 0.7692 0.0019 C 0 0 0
- -1.1706 -0.5621 0.0008 C 0 0 0
- 0.5927 1.0715 0.0017 C 0 0 0
- -1.6753 1.7696 -0.0025 O 0 0 0
- -0.2332 -1.5874 -0.0010 C 0 0 0
- -2.4957 -0.8566 0.0010 O 0 0 0
- 1.5383 0.0386 0.0004 C 0 0 0
- -0.9488 3.0001 0.0000 C 0 0 0
- 1.1122 -1.2951 -0.0012 C 0 0 0
- -2.6021 -2.2816 -0.0003 C 0 0 0
- 2.9728 0.3534 0.0006 C 0 0 0
- 3.7903 -0.5427 -0.0005 O 0 0 0
- 0.9056 2.0676 0.0000 H 0 0 0
- -0.5498 -2.5823 0.0000 H 0 0 0
- -0.0497 2.4693 0.0000 H 0 0 0
- -0.4180 3.8992 0.0000 H 0 0 0
- -1.8479 3.5309 0.0000 H 0 0 0
- 1.8145 -2.0677 0.0000 H 0 0 0
- -3.6433 -2.2039 0.0000 H 0 0 0
- -2.6798 -3.3228 0.0000 H 0 0 0
- -1.5609 -2.3593 0.0000 H 0 0 0
- 3.2889 1.3485 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 11 12 2 0
- 7 9 1 0
- 3 13 1 0
- 5 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1758-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.8859 0.2971 0.0813 C 0 0 0
- -0.6323 -1.0924 0.0593 C 0 0 0
- 0.2359 1.2424 0.2202 C 0 0 0
- -2.1963 0.7625 -0.0345 C 0 0 0
- 0.7538 -1.5819 0.1751 C 0 0 0
- -1.6893 -1.9880 -0.0716 C 0 0 0
- 1.6192 0.7543 0.0278 C 0 0 0
- 0.0271 2.4096 0.4893 O 0 0 0
- -3.2490 -0.1597 -0.1721 C 0 0 0
- -2.4585 2.1238 -0.0135 N 0 0 0
- 1.8727 -0.6294 0.0052 C 0 0 0
- 0.9745 -2.7548 0.4080 O 0 0 0
- -2.9870 -1.5204 -0.1807 C 0 0 0
- 2.6705 1.6510 -0.1317 C 0 0 0
- -4.5579 0.2950 -0.2888 N 0 0 0
- 3.1729 -1.0896 -0.1764 C 0 0 0
- 3.9581 1.1764 -0.3103 C 0 0 0
- 4.2072 -0.1840 -0.3346 C 0 0 0
- -1.5047 -3.0107 0.0000 H 0 0 0
- -1.6730 2.8043 0.0000 H 0 0 0
- -3.4405 2.4638 0.0000 H 0 0 0
- -3.7768 -2.1959 0.0000 H 0 0 0
- 2.4880 2.6741 0.0000 H 0 0 0
- -4.7534 1.3157 0.0000 H 0 0 0
- -5.3441 -0.3847 0.0000 H 0 0 0
- 3.3686 -2.1102 0.0000 H 0 0 0
- 4.7534 1.8454 0.0000 H 0 0 0
- 5.1886 -0.5259 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 6 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.2060 0.7841 0.0018 C 0 0 0
- -1.7145 -0.5145 0.0004 C 0 0 0
- 0.1656 0.9876 0.0017 C 0 0 0
- -2.0782 1.8794 -0.0025 N 0 0 0
- -0.8461 -1.5953 -0.0011 C 0 0 0
- -3.0993 -0.7264 0.0010 N 0 0 0
- 1.0255 -0.0963 0.0002 C 0 0 0
- 0.5205 -1.3844 -0.0012 C 0 0 0
- 2.7424 0.1605 0.0000 Cl 0 0 0
- 0.5479 1.9547 0.0000 H 0 0 0
- -1.6976 2.8472 0.0000 H 0 0 0
- -3.1067 1.7251 0.0000 H 0 0 0
- -1.2226 -2.5647 0.0000 H 0 0 0
- -3.7495 0.0852 0.0000 H 0 0 0
- -3.4771 -1.6953 0.0000 H 0 0 0
- 1.1705 -2.1962 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91598-91-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.1358 -0.2883 0.1835 C 0 0 0
- -1.4529 0.3563 0.0499 C 0 0 0
- 0.9490 0.4403 0.2996 C 0 0 0
- -0.0716 -1.7609 0.1892 C 0 0 0
- -2.6450 -0.5012 -0.0781 C 0 0 0
- -1.5523 1.6644 0.0463 C 0 0 0
- 2.2559 -0.2256 0.4322 C 0 0 0
- 0.8426 1.9092 0.2959 C 0 0 0
- -1.3138 -2.5375 0.0618 C 0 0 0
- 1.0969 -2.3527 0.3079 C 0 0 0
- -2.4863 -1.9631 -0.0684 C 0 0 0
- -3.8291 0.0584 -0.1981 C 0 0 0
- -0.3375 2.4867 0.1772 C 0 0 0
- -2.8798 2.2878 -0.0882 C 0 0 0
- 2.3212 -1.5414 0.4327 C 0 0 0
- 3.3863 0.5118 0.5526 N 0 0 0
- -3.9495 1.5275 -0.2033 C 0 0 0
- -4.9418 -0.7179 -0.3178 O 0 0 0
- 4.4085 0.3234 -0.3054 C 0 0 0
- 5.7127 1.0482 -0.0944 C 0 0 0
- 4.2786 -0.4296 -1.2472 O 0 0 0
- 1.7195 2.5014 0.0000 H 0 0 0
- -1.2592 -3.5942 0.0000 H 0 0 0
- 1.1585 -3.4091 0.0000 H 0 0 0
- -3.3526 -2.5708 0.0000 H 0 0 0
- -0.4115 3.5423 0.0000 H 0 0 0
- -2.9743 3.3417 0.0000 H 0 0 0
- 3.2656 -2.0187 0.0000 H 0 0 0
- 3.1783 1.5493 0.0000 H 0 0 0
- -4.9089 1.9739 0.0000 H 0 0 0
- -5.8096 -1.3233 0.0000 H 0 0 0
- 6.2267 0.1233 0.0000 H 0 0 0
- 6.6376 1.5622 0.0000 H 0 0 0
- 5.1987 1.9731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 12 18 1 0
- 16 19 1 0
- 19 20 1 0
- 19 21 2 0
- 8 13 2 0
- 9 11 2 0
- 10 15 1 0
- 14 17 2 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-31-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.7767 -0.2209 0.0600 C 0 0 0
- -1.9214 0.6543 0.0239 C 0 0 0
- 0.5953 0.3096 0.1048 C 0 0 0
- -1.0245 -1.5781 0.0564 C 0 0 0
- -3.1364 0.0733 -0.0159 C 0 0 0
- 1.6441 -0.5361 0.1378 N 0 0 0
- 0.7827 1.5115 0.1121 O 0 0 0
- -2.7532 -1.6659 0.0058 S 0 0 0
- -4.4662 0.7224 -0.0575 N 0 3 0
- 2.9478 -0.0372 0.0504 C 0 0 0
- -5.4755 0.0414 -0.0909 O 0 0 0
- -4.5511 1.9374 -0.0583 O 0 5 0
- 4.0226 -0.9117 -0.0480 C 0 0 0
- 3.1701 1.3335 0.0560 C 0 0 0
- 5.3085 -0.4159 -0.1341 C 0 0 0
- 3.7855 -2.3999 -0.0603 C 0 0 0
- 4.4589 1.8230 -0.0304 C 0 0 0
- 5.5269 0.9498 -0.1225 C 0 0 0
- -1.8144 1.6861 0.0000 H 0 0 0
- -0.3402 -2.3576 0.0000 H 0 0 0
- 1.4824 -1.5607 0.0000 H 0 0 0
- 2.3663 1.9892 0.0000 H 0 0 0
- 6.1146 -1.0687 0.0000 H 0 0 0
- 2.7611 -2.2367 0.0000 H 0 0 0
- 3.6223 -3.4243 0.0000 H 0 0 0
- 4.8099 -2.5631 0.0000 H 0 0 0
- 4.6254 2.8468 0.0000 H 0 0 0
- 6.4964 1.3185 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 5 8 1 0
- 17 18 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96918-17-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -1.1800 -0.3062 -0.0013 C 0 0 0
- -2.5154 0.1368 -0.0011 C 0 0 0
- -0.1336 0.6420 0.0001 C 0 0 0
- -0.8959 -1.6941 0.0031 C 0 0 0
- -2.7931 1.5234 0.0005 C 0 0 0
- -3.5750 -0.7983 -0.0029 C 0 0 0
- 1.1971 0.1925 -0.0001 C 0 0 0
- -0.4397 2.0222 0.0020 C 0 0 0
- 0.4293 -2.1215 0.0029 C 0 0 0
- -1.9954 -2.6571 0.0072 C 0 0 0
- -1.7234 2.4492 0.0022 C 0 0 0
- -4.1251 1.9496 0.0007 C 0 0 0
- -3.2775 -2.2283 -0.0041 C 0 0 0
- -4.8917 -0.3335 -0.0031 C 0 0 0
- 1.4636 -1.1860 -0.0016 C 0 0 0
- 2.3837 0.8313 0.0005 O 0 0 0
- -5.1494 1.0246 -0.0006 C 0 0 0
- 2.9294 -1.2998 -0.0018 C 0 0 0
- 3.4015 -0.0464 -0.0005 C 0 0 0
- 4.8360 0.3192 -0.0006 N 0 3 0
- 5.6866 -0.5526 -0.0015 O 0 0 0
- 5.1656 1.4917 0.0002 O 0 5 0
- 0.3407 2.7261 0.0000 H 0 0 0
- 0.6501 -3.1490 0.0000 H 0 0 0
- -1.7884 -3.6875 0.0000 H 0 0 0
- -1.9282 3.4800 0.0000 H 0 0 0
- -4.3467 2.9769 0.0000 H 0 0 0
- -4.0630 -2.9265 0.0000 H 0 0 0
- -5.6891 -1.0181 0.0000 H 0 0 0
- -6.1455 1.3596 0.0000 H 0 0 0
- 3.4935 -2.1866 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 1 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 18 19 2 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94764-55-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.3778 -0.5476 -0.0009 C 0 0 0
- -1.8579 -0.5647 -0.0005 C 0 0 0
- 0.2190 0.7215 -0.0002 C 0 0 0
- 0.4892 -1.6615 0.0039 C 0 0 0
- -2.4837 0.6904 0.0003 C 0 0 0
- -2.6990 -1.6982 -0.0015 C 0 0 0
- -1.1456 1.8556 0.0007 S 0 0 0
- 1.5892 0.8883 -0.0001 C 0 0 0
- 1.8500 -1.4881 0.0029 C 0 0 0
- -3.8574 0.8256 0.0003 C 0 0 0
- -4.0634 -1.5562 -0.0015 C 0 0 0
- 2.4128 -0.2205 -0.0005 C 0 0 0
- -4.6552 -0.3019 -0.0006 C 0 0 0
- 3.8840 -0.0573 -0.0009 N 0 3 0
- 4.6056 -1.0385 -0.0012 O 0 0 0
- 4.3730 1.0583 -0.0008 O 0 5 0
- 0.0925 -2.6230 0.0000 H 0 0 0
- -2.2802 -2.6504 0.0000 H 0 0 0
- 1.9994 1.8442 0.0000 H 0 0 0
- 2.4711 -2.3225 0.0000 H 0 0 0
- -4.2896 1.7718 0.0000 H 0 0 0
- -4.6651 -2.4047 0.0000 H 0 0 0
- -5.6914 -0.2110 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 2 0
- 14 16 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10517-47-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.1206 -0.0079 0.0036 C 0 0 0
- -0.5546 -1.2894 0.0032 C 0 0 0
- -0.2899 1.1206 0.0023 C 0 0 0
- -2.5794 0.1522 -0.0006 C 0 0 0
- 0.8034 -1.4338 0.0015 C 0 0 0
- 1.0667 0.9671 0.0006 C 0 0 0
- -3.1860 1.5317 -0.0001 C 0 0 0
- -3.2969 -0.8259 -0.0045 O 0 0 0
- 1.6254 -0.3094 0.0002 C 0 0 0
- 3.0060 -0.4609 -0.0011 N 0 0 0
- 3.8436 0.6808 -0.0025 O 0 0 0
- -1.1706 -2.1336 0.0000 H 0 0 0
- -0.7082 2.0783 0.0000 H 0 0 0
- 1.2265 -2.3894 0.0000 H 0 0 0
- 1.6870 1.8082 0.0000 H 0 0 0
- -2.2293 1.9524 0.0000 H 0 0 0
- -3.6067 2.4884 0.0000 H 0 0 0
- -4.1427 1.1110 0.0000 H 0 0 0
- 3.4267 -1.4176 0.0000 H 0 0 0
- 4.4618 1.5234 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 10 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78914-75-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 2.6727 0.2822 -0.1540 C 0 0 0
- 1.3147 0.3220 -0.2790 N 0 0 0
- 3.4365 1.4200 -0.4355 C 0 0 0
- 3.3048 -0.8950 0.2618 C 0 0 0
- 0.6120 -0.7281 -0.0190 N 0 0 0
- 4.8064 1.3760 -0.3082 C 0 0 0
- 4.6747 -0.9311 0.3867 C 0 0 0
- -0.7488 -0.6884 -0.1443 C 0 0 0
- 5.4318 0.2015 0.1000 C 0 0 0
- -1.5132 -1.8238 0.1365 C 0 0 0
- -1.3826 0.4900 -0.5484 C 0 0 0
- 6.8178 0.1610 0.2276 N 0 0 0
- -2.8857 -1.7762 0.0078 C 0 0 0
- -2.7555 0.5226 -0.6726 C 0 0 0
- 7.4780 -1.0743 0.6572 C 0 0 0
- 7.6157 1.3536 -0.0677 C 0 0 0
- -3.5057 -0.6078 -0.3983 C 0 0 0
- -5.0057 -0.5641 -0.5369 C 0 0 0
- -5.5448 0.4478 0.3541 O 0 0 0
- -6.8686 0.6648 0.4003 C 0 0 0
- -7.4282 1.7150 1.3250 C 0 0 0
- -7.6116 0.0183 -0.2996 O 0 0 0
- 2.9707 2.3286 0.0000 H 0 0 0
- 2.7692 -1.7643 0.0000 H 0 0 0
- 5.3460 2.2428 0.0000 H 0 0 0
- 5.1440 -1.8379 0.0000 H 0 0 0
- -1.0492 -2.7333 0.0000 H 0 0 0
- -0.8485 1.3602 0.0000 H 0 0 0
- -3.4270 -2.6419 0.0000 H 0 0 0
- -3.2275 1.4280 0.0000 H 0 0 0
- 6.5775 -1.5556 0.0000 H 0 0 0
- 7.9593 -1.9748 0.0000 H 0 0 0
- 8.3785 -0.5930 0.0000 H 0 0 0
- 8.4643 0.7858 0.0000 H 0 0 0
- 8.1835 2.2022 0.0000 H 0 0 0
- 6.7671 1.9214 0.0000 H 0 0 0
- -5.9760 -0.8820 0.0000 H 0 0 0
- -4.8594 -1.5746 0.0000 H 0 0 0
- -6.5271 2.1951 0.0000 H 0 0 0
- -7.9083 2.6161 0.0000 H 0 0 0
- -8.3293 1.2349 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 12 16 1 0
- 13 17 2 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 2 0
- 7 9 1 0
- 14 17 1 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 18 37 1 0
- 18 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.7389 -0.8530 -0.0300 C 0 0 0
- -0.7389 -0.8530 0.0322 C 0 0 0
- 1.4577 0.3538 0.0730 C 0 0 0
- 1.4343 -2.0465 -0.1969 C 0 0 0
- -1.4578 0.3541 -0.0722 C 0 0 0
- -1.4345 -2.0464 0.1951 C 0 0 0
- 0.7141 1.6211 0.2418 C 0 0 0
- 2.8496 0.3458 0.0153 C 0 0 0
- 2.8162 -2.0384 -0.2536 C 0 0 0
- -0.7138 1.6211 -0.2423 C 0 0 0
- -2.8493 0.3464 -0.0146 C 0 0 0
- -2.8168 -2.0381 0.2517 C 0 0 0
- 1.2231 2.6032 0.7411 O 0 0 0
- 3.5207 -0.8516 -0.1449 C 0 0 0
- -1.2227 2.6030 -0.7423 O 0 0 0
- -3.5207 -0.8511 0.1470 C 0 0 0
- 0.9204 -2.9468 0.0000 H 0 0 0
- -0.9208 -2.9467 0.0000 H 0 0 0
- 3.3762 1.2387 0.0000 H 0 0 0
- 3.3317 -2.9377 0.0000 H 0 0 0
- -3.3757 1.2394 0.0000 H 0 0 0
- -3.3326 -2.9373 0.0000 H 0 0 0
- 4.5572 -0.8645 0.0000 H 0 0 0
- -4.5572 -0.8637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 10 15 2 0
- 11 16 1 0
- 7 10 1 0
- 9 14 1 0
- 12 16 2 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56856-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 1.1486 -0.1932 0.3103 N 0 0 0
- 0.0507 0.2338 1.1811 C 0 0 0
- 2.1188 0.6165 0.0513 N 0 0 0
- 1.1477 -1.5420 -0.2617 C 0 0 0
- -0.9944 0.8438 0.3786 O 0 0 0
- 3.0316 0.2615 -0.6727 O 0 0 0
- -1.9840 0.0876 -0.1218 C 0 0 0
- -3.0686 0.7208 -0.9547 C 0 0 0
- -2.0052 -1.1008 0.0954 O 0 0 0
- -0.7239 -0.2641 0.0000 H 0 0 0
- 0.1428 -0.6824 0.0000 H 0 0 0
- 0.2269 -1.5414 0.0000 H 0 0 0
- 1.1471 -2.4628 0.0000 H 0 0 0
- 2.0685 -1.5426 0.0000 H 0 0 0
- -2.6043 1.5160 0.0000 H 0 0 0
- -3.8638 1.1851 0.0000 H 0 0 0
- -3.5329 -0.0744 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 2 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.0910 -0.5950 0.0000 C 0 0 0
- -1.3411 0.2872 0.0000 C 0 0 0
- 1.0750 0.2311 0.0000 O 0 0 0
- -0.8292 -1.4235 0.0000 H 0 0 0
- 0.6487 -1.4221 0.0000 H 0 0 0
- -0.7013 1.1938 0.0000 H 0 0 0
- -2.2477 0.9270 0.0000 H 0 0 0
- -1.9809 -0.6194 0.0000 H 0 0 0
- 1.9804 0.8726 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1340-08-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 77 1 V2000
- 0.8949 1.7111 0.8979 C 0 0 0
- 1.3252 1.8056 -0.3915 C 0 0 0
- 1.6928 0.9249 1.8567 C 0 0 0
- -0.2269 2.3125 1.3293 O 0 0 0
- 0.5686 2.5590 -1.3262 C 0 0 0
- 2.4714 1.1830 -0.7797 O 0 0 0
- 2.9941 1.3221 2.1770 C 0 0 0
- 1.1478 -0.2162 2.4520 C 0 0 0
- -1.0075 3.0532 0.5150 C 0 0 0
- -0.6597 3.2061 -0.8385 C 0 0 0
- 0.9227 2.6657 -2.4896 O 0 0 0
- 2.0821 0.0414 -1.5460 C 0 0 2
- 3.7372 0.5820 3.0766 C 0 0 0
- 1.8951 -0.9495 3.3485 C 0 0 0
- -2.1586 3.6594 0.9951 C 0 0 0
- -1.4675 3.9690 -1.6923 C 0 0 0
- 1.4659 -0.9184 -0.6897 O 0 0 0
- 3.3169 -0.5729 -2.2093 C 0 0 1
- 3.1893 -0.5580 3.6619 C 0 0 0
- 5.0036 0.9656 3.3905 O 0 0 0
- -2.9498 4.4170 0.1462 C 0 0 0
- -2.6137 4.5610 -1.1961 C 0 0 0
- -1.1268 4.1258 -2.9966 O 0 0 0
- 0.9317 -1.9524 -1.5142 C 0 0 2
- 2.8829 -1.7738 -3.0573 C 0 0 2
- 3.9415 0.4013 -3.0477 O 0 0 0
- 3.9218 -1.2847 4.5460 O 0 0 0
- -4.0751 5.0070 0.6243 O 0 0 0
- 0.0936 -2.9049 -0.6590 C 0 0 0
- 2.0723 -2.7299 -2.1749 C 0 0 2
- 4.0401 -2.4494 -3.5538 O 0 0 0
- -1.0557 -2.2147 -0.1644 O 0 0 0
- 1.5301 -3.7779 -2.9811 O 0 0 0
- -1.7356 -3.1180 0.7095 C 0 0 1
- -2.4906 -2.3234 1.7776 C 0 0 1
- -2.6536 -3.9080 -0.0439 O 0 0 0
- -3.4890 -1.3856 1.0896 C 0 0 1
- -3.1957 -3.2254 2.6327 O 0 0 0
- -3.4731 -3.0163 -0.7974 C 0 0 2
- -4.3703 -2.2134 0.1473 C 0 0 2
- -4.3080 -0.7551 2.0765 O 0 0 0
- -4.3427 -3.8191 -1.7670 C 0 0 0
- -5.2040 -1.3390 -0.6159 O 0 0 0
- 3.2123 2.2000 0.0000 H 0 0 0
- 0.2569 -0.3734 0.0000 H 0 0 0
- 1.2674 0.4346 0.0000 H 0 0 0
- 1.6791 -1.8280 0.0000 H 0 0 0
- -2.6873 2.9254 0.0000 H 0 0 0
- 4.1281 -0.9733 0.0000 H 0 0 0
- 5.8694 1.2278 0.0000 H 0 0 0
- -2.5812 5.4650 0.0000 H 0 0 0
- -0.3050 4.5040 0.0000 H 0 0 0
- 0.1847 -1.4422 0.0000 H 0 0 0
- 2.1001 -1.3204 0.0000 H 0 0 0
- 4.4298 1.1628 0.0000 H 0 0 0
- 4.5640 -1.9218 0.0000 H 0 0 0
- -4.8763 5.4271 0.0000 H 0 0 0
- -0.4180 -3.6510 0.0000 H 0 0 0
- 0.8075 -3.4605 0.0000 H 0 0 0
- 2.8238 -3.2334 0.0000 H 0 0 0
- 4.8213 -2.9055 0.0000 H 0 0 0
- 1.1144 -4.5814 0.0000 H 0 0 0
- -1.0754 -3.7364 0.0000 H 0 0 0
- -1.8528 -1.6819 0.0000 H 0 0 0
- -2.9027 -0.6967 0.0000 H 0 0 0
- -3.7528 -3.9381 0.0000 H 0 0 0
- -2.8377 -2.3724 0.0000 H 0 0 0
- -4.9998 -2.8631 0.0000 H 0 0 0
- -5.0248 -0.2033 0.0000 H 0 0 0
- -4.9563 -3.1544 0.0000 H 0 0 0
- -5.0074 -4.4327 0.0000 H 0 0 0
- -3.7291 -4.4838 0.0000 H 0 0 0
- -5.8282 -0.6843 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 12 6 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 2 0
- 13 20 1 0
- 15 21 2 0
- 16 22 2 0
- 16 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 1 0
- 19 27 1 0
- 21 28 1 0
- 24 29 1 0
- 24 30 1 0
- 25 31 1 0
- 29 32 1 0
- 30 33 1 0
- 34 32 1 0
- 34 35 1 0
- 34 36 1 0
- 35 37 1 0
- 35 38 1 0
- 36 39 1 0
- 37 40 1 0
- 37 41 1 0
- 39 42 1 0
- 40 43 1 0
- 9 10 2 0
- 14 19 1 0
- 21 22 1 0
- 25 30 1 0
- 39 40 1 0
- 7 44 1 0
- 8 45 1 0
- 12 46 1 0
- 14 47 1 0
- 15 48 1 0
- 18 49 1 0
- 20 50 1 0
- 22 51 1 0
- 23 52 1 0
- 24 53 1 0
- 25 54 1 0
- 26 55 1 0
- 27 56 1 0
- 28 57 1 0
- 29 58 1 0
- 29 59 1 0
- 30 60 1 0
- 31 61 1 0
- 33 62 1 0
- 34 63 1 0
- 35 64 1 0
- 37 65 1 0
- 38 66 1 0
- 39 67 1 0
- 40 68 1 0
- 41 69 1 0
- 42 70 1 0
- 42 71 1 0
- 42 72 1 0
- 43 73 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-131432-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 2.4243 -0.6524 -0.0203 C 0 0 0
- 1.2567 -1.6004 -0.1156 C 0 0 0
- 2.9189 -0.2871 1.2181 C 0 0 0
- 3.0043 -0.1525 -1.1709 C 0 0 0
- 0.0064 -0.8369 -0.1140 N 0 0 0
- 3.9897 0.5824 1.3055 C 0 0 0
- 4.0755 0.7172 -1.0835 C 0 0 0
- -1.1757 -1.4795 -0.1920 C 0 0 0
- 4.5662 1.0869 0.1546 C 0 0 0
- -2.4619 -0.6941 -0.1904 C 0 0 1
- -1.2044 -2.6899 -0.2635 O 0 0 0
- -3.3150 -1.1151 1.0079 C 0 0 0
- -2.0572 1.2257 -0.0645 Br 0 0 0
- 0.6366 -2.3965 0.0000 H 0 0 0
- 1.9774 -2.3067 0.0000 H 0 0 0
- 3.5369 -1.0848 0.0000 H 0 0 0
- 2.3568 0.6215 0.0000 H 0 0 0
- 0.0318 0.1719 0.0000 H 0 0 0
- 4.6401 -0.1891 0.0000 H 0 0 0
- 3.4538 1.5120 0.0000 H 0 0 0
- 5.3494 1.7232 0.0000 H 0 0 0
- -3.2590 -0.0754 0.0000 H 0 0 0
- -3.7616 -0.2102 0.0000 H 0 0 0
- -4.2199 -1.5617 0.0000 H 0 0 0
- -2.8684 -2.0200 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 10 12 1 0
- 10 13 1 0
- 7 9 2 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122088-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- -0.8354 0.4991 -0.1043 C 0 0 0
- -2.1322 -0.0263 -0.1877 C 0 0 0
- -0.6565 1.9515 -0.0122 C 0 0 0
- 0.2990 -0.3247 -0.1006 C 0 0 0
- -3.2175 0.8338 -0.1766 C 0 0 0
- -2.3585 -1.5109 -0.2900 C 0 0 1
- 0.5665 2.4660 0.0648 N 0 0 0
- -1.7999 2.7770 -0.0063 C 0 0 0
- 1.5456 0.2832 -0.0153 C 0 0 0
- -3.0355 2.2250 -0.0860 C 0 0 0
- -4.5802 0.2645 -0.2609 C 0 0 0
- -3.6348 -1.8939 0.4572 C 0 0 2
- -2.4826 -1.8801 -1.6649 O 0 0 0
- 1.6494 1.6966 0.0634 C 0 0 0
- 2.7696 -0.5300 -0.0050 C 0 0 0
- -4.7770 -1.0129 0.0319 C 0 0 0
- -3.4234 -1.7544 1.8636 O 0 0 0
- 2.9718 2.3162 0.1492 C 0 0 0
- 4.0236 0.1114 0.0804 C 0 0 0
- 2.7096 -1.9224 -0.0779 C 0 0 0
- 4.0918 1.5678 0.1537 C 0 0 0
- 5.1915 -0.6615 0.0917 C 0 0 0
- 3.8750 -2.6559 -0.0648 C 0 0 0
- 5.1078 -2.0223 0.0199 C 0 0 0
- 0.2078 -1.3681 0.0000 H 0 0 0
- -1.3406 -1.7576 0.0000 H 0 0 0
- -1.6926 3.8188 0.0000 H 0 0 0
- -3.8753 2.8508 0.0000 H 0 0 0
- -5.4050 0.9099 0.0000 H 0 0 0
- -3.8251 -2.9238 0.0000 H 0 0 0
- -2.8163 -2.8728 0.0000 H 0 0 0
- -5.7494 -1.4018 0.0000 H 0 0 0
- -2.5492 -1.1776 0.0000 H 0 0 0
- 3.0508 3.3606 0.0000 H 0 0 0
- 1.7821 -2.4088 0.0000 H 0 0 0
- 5.0268 2.0398 0.0000 H 0 0 0
- 6.1289 -0.1943 0.0000 H 0 0 0
- 3.8295 -3.7022 0.0000 H 0 0 0
- 5.9846 -2.5952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 18 21 2 0
- 19 22 2 0
- 20 23 1 0
- 22 24 1 0
- 8 10 2 0
- 9 14 1 0
- 12 16 1 0
- 19 21 1 0
- 23 24 2 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135086-96-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -4.4433 0.5195 0.1174 C 0 0 0
- -4.7727 -0.8402 0.0646 C 0 0 0
- -3.0844 0.8923 0.0541 C 0 0 0
- -5.6177 1.2217 0.2325 N 0 0 0
- -3.7984 -1.7630 -0.0440 N 0 0 0
- -6.1818 -0.9158 0.1469 C 0 0 0
- -2.1576 -0.0860 -0.0552 N 0 0 0
- -2.7542 2.0660 0.0965 O 0 0 0
- -6.6564 0.3414 0.2522 C 0 0 0
- -2.5587 -1.4256 -0.1012 N 0 0 0
- -0.7969 0.2412 -0.1210 N 0 0 0
- 0.0935 -0.6999 -0.2261 C 0 0 0
- 1.5238 -0.3559 -0.2952 C 0 0 0
- 2.4832 -1.3667 -0.4083 C 0 0 0
- 1.9258 0.9830 -0.2537 C 0 0 0
- 3.8198 -1.0408 -0.4726 C 0 0 0
- 3.2640 1.3004 -0.3186 C 0 0 0
- 4.2157 0.2915 -0.4252 C 0 0 0
- 5.5720 0.6176 -0.4907 N 0 0 0
- 6.4409 0.0640 0.3781 C 0 0 0
- 7.9198 0.3102 0.2248 C 0 0 0
- 6.0328 -0.6324 1.2833 O 0 0 0
- -5.7026 2.2542 0.0000 H 0 0 0
- -6.7479 -1.7835 0.0000 H 0 0 0
- -7.6593 0.6011 0.0000 H 0 0 0
- -0.2013 -1.6931 0.0000 H 0 0 0
- 2.1908 -2.3606 0.0000 H 0 0 0
- 1.2151 1.7368 0.0000 H 0 0 0
- 4.5339 -1.7913 0.0000 H 0 0 0
- 3.5611 2.2929 0.0000 H 0 0 0
- 5.7428 1.6394 0.0000 H 0 0 0
- 8.0899 -0.7117 0.0000 H 0 0 0
- 8.9417 0.4803 0.0000 H 0 0 0
- 7.7497 1.3321 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 2 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 2 0
- 6 9 2 0
- 7 10 1 0
- 17 18 1 0
- 4 23 1 0
- 6 24 1 0
- 9 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 21 32 1 0
- 21 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52417-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -4.2580 1.3087 -0.3477 C 0 0 0
- -5.0419 0.4103 0.4234 C 0 0 0
- -3.0891 0.9256 -0.8592 N 0 0 0
- -4.7403 2.6146 -0.5690 C 0 0 0
- -4.5740 -0.8998 0.6478 C 0 0 0
- -6.2718 0.8381 0.9513 C 0 0 0
- -2.6079 -0.3021 -0.6728 C 0 0 0
- -5.9374 2.9913 -0.0461 C 0 0 0
- -3.3324 -1.2582 0.0871 C 0 0 0
- -5.3063 -1.8001 1.3913 N 0 0 0
- -6.6997 2.1088 0.7185 C 0 0 0
- -1.3667 -0.6744 -1.2287 C 0 0 0
- -2.8031 -2.5474 0.2688 C 0 0 0
- -0.8868 -1.9306 -1.0315 C 0 0 0
- -1.6019 -2.8668 -0.2846 C 0 0 0
- 8.0980 -0.4815 -0.4811 O 0 0 0
- 16.6435 0.6332 0.3740 Cl 0 0 0
- -4.0719 3.3165 0.0000 H 0 0 0
- -6.9605 0.1562 0.0000 H 0 0 0
- -6.2022 3.9236 0.0000 H 0 0 0
- -6.2633 -1.6464 0.0000 H 0 0 0
- -4.9609 -2.7057 0.0000 H 0 0 0
- -7.6508 2.2955 0.0000 H 0 0 0
- -0.7070 0.0357 0.0000 H 0 0 0
- -3.4426 -3.2757 0.0000 H 0 0 0
- 0.0724 -2.0694 0.0000 H 0 0 0
- -1.2885 -3.7839 0.0000 H 0 0 0
- 7.1288 -0.4815 0.0000 H 0 0 0
- 9.0672 -0.4815 0.0000 H 0 0 0
- 17.6127 0.6332 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 11 2 0
- 14 15 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-952-97-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.0082 -1.0864 0.0025 C 0 0 0
- -1.6158 -1.7699 -0.0057 S 0 0 0
- 0.6146 -0.7459 1.2059 C 0 0 0
- 0.6879 -0.8918 -1.1937 C 0 0 0
- -2.5709 -0.2892 -0.0159 C 0 0 0
- 1.8874 -0.2110 1.2085 C 0 0 0
- 1.9608 -0.3563 -1.1834 C 0 0 0
- -3.9476 -0.3472 0.1631 C 0 0 0
- -1.9483 0.9401 -0.1974 C 0 0 0
- 2.5590 -0.0138 0.0154 C 0 0 0
- -4.6930 0.8153 0.1544 C 0 0 0
- -2.6998 2.0982 -0.2049 C 0 0 0
- 3.9234 0.5604 0.0223 N 0 3 0
- -4.0709 2.0361 -0.0321 C 0 0 0
- 4.5161 0.7346 -1.0274 O 0 0 0
- 4.4533 0.8586 1.0777 O 0 5 0
- 0.1607 0.1825 0.0000 H 0 0 0
- 1.0311 -1.8666 0.0000 H 0 0 0
- 1.5411 0.7627 0.0000 H 0 0 0
- 2.4188 -1.2827 0.0000 H 0 0 0
- -4.4241 -1.2642 0.0000 H 0 0 0
- -0.9163 0.9953 0.0000 H 0 0 0
- -5.7252 0.7642 0.0000 H 0 0 0
- -2.2272 3.0172 0.0000 H 0 0 0
- -4.6307 2.9048 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 7 10 2 0
- 12 14 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50700-49-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.2781 0.5131 0.1729 C 0 0 0
- 0.0951 -0.9006 0.0000 C 0 0 0
- 0.7644 1.5523 0.2029 C 0 0 0
- -1.5488 0.8497 0.2955 N 0 0 0
- 1.3873 -1.2433 -0.1304 C 0 0 0
- 2.0571 1.2113 0.0726 C 0 0 0
- -2.5116 -0.0417 0.0026 C 0 0 0
- 2.4317 -0.2037 -0.1005 C 0 0 0
- -3.5914 0.3133 -0.9869 C 0 0 0
- -2.5111 -1.1322 0.5348 O 0 0 0
- 3.6012 -0.5131 -0.2180 O 0 0 0
- -0.6143 -1.6092 0.0000 H 0 0 0
- 0.5038 2.5205 0.0000 H 0 0 0
- 1.6469 -2.2118 0.0000 H 0 0 0
- 2.7658 1.9206 0.0000 H 0 0 0
- -3.2783 1.2658 0.0000 H 0 0 0
- -4.5439 0.6264 0.0000 H 0 0 0
- -3.9045 -0.6392 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 2 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-133-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.4023 0.0830 -0.8929 N 0 0 0
- 1.0989 -1.0733 -0.7648 C 0 0 0
- 1.1117 1.1968 -0.5617 C 0 0 0
- -1.1692 0.1362 -1.4125 S 0 0 0
- 2.5395 -0.7046 -0.5233 C 0 0 0
- 0.6463 -2.1959 -0.8319 O 0 0 0
- 2.3692 0.7107 0.0298 C 0 0 0
- 0.7768 2.3509 -0.7210 O 0 0 0
- -2.0315 -0.0062 0.1770 C 0 0 0
- 3.2955 -1.5173 0.5072 C 0 0 0
- 3.6103 1.4543 0.2754 C 0 0 0
- -3.8127 0.0255 -0.1006 Cl 0 0 0
- -1.5747 -1.5589 0.9716 Cl 0 0 0
- -1.5643 1.3731 1.2400 Cl 0 0 0
- 4.5652 -0.7686 0.8261 C 0 0 0
- 4.7165 0.5143 0.6844 C 0 0 0
- 3.5093 -0.2545 0.0000 H 0 0 0
- 2.2779 1.7759 0.0000 H 0 0 0
- 2.4622 -2.1872 0.0000 H 0 0 0
- 3.9035 -2.3967 0.0000 H 0 0 0
- 4.3870 2.1890 0.0000 H 0 0 0
- 2.9644 2.3063 0.0000 H 0 0 0
- 5.4608 -1.3525 0.0000 H 0 0 0
- 5.7115 0.9054 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 5 7 1 0
- 15 16 2 0
- 5 17 1 0
- 7 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 15 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25155-25-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 58 1 V2000
- 1.1970 -0.0254 0.0172 C 0 0 0
- -0.0002 0.6659 0.0000 C 0 0 0
- 2.5019 0.7281 0.0398 C 0 0 0
- 1.1970 -1.4075 0.0193 C 0 0 0
- -1.1970 -0.0252 -0.0208 C 0 0 0
- 3.5880 -0.2005 0.0545 O 0 0 0
- 2.6026 1.6110 -1.2057 C 0 0 0
- 2.5631 1.6045 1.2924 C 0 0 0
- -0.0003 -2.0988 0.0043 C 0 0 0
- -2.5020 0.7283 -0.0394 C 0 0 0
- -1.1969 -1.4077 -0.0249 C 0 0 0
- 4.8243 0.5925 0.0762 O 0 0 0
- -3.5880 -0.2003 -0.0591 O 0 0 0
- -2.6028 1.6046 1.2107 C 0 0 0
- -2.5633 1.6112 -1.2875 C 0 0 0
- 5.9096 -0.3318 -0.0228 C 0 0 0
- -4.8244 0.5927 -0.0766 O 0 0 0
- 5.7919 -1.1185 -1.3298 C 0 0 0
- 7.2344 0.4334 -0.0058 C 0 0 0
- 5.8646 -1.2999 1.1610 C 0 0 0
- -5.9095 -0.3319 0.0230 C 0 0 0
- -7.2343 0.4333 0.0103 C 0 0 0
- -5.8670 -1.2977 -1.1628 C 0 0 0
- -5.7889 -1.1211 1.3282 C 0 0 0
- -0.0002 1.7028 0.0000 H 0 0 0
- 2.0950 -1.9259 0.0000 H 0 0 0
- 3.6328 1.4935 0.0000 H 0 0 0
- 2.7201 2.6412 0.0000 H 0 0 0
- 1.5724 1.7285 0.0000 H 0 0 0
- 3.5974 1.5323 0.0000 H 0 0 0
- 2.6353 2.6388 0.0000 H 0 0 0
- 1.5288 1.6767 0.0000 H 0 0 0
- -0.0004 -3.1357 0.0000 H 0 0 0
- -2.0949 -1.9261 0.0000 H 0 0 0
- -1.5727 1.7231 0.0000 H 0 0 0
- -2.7213 2.6347 0.0000 H 0 0 0
- -3.6329 1.4861 0.0000 H 0 0 0
- -1.5289 1.6830 0.0000 H 0 0 0
- -2.6351 2.6456 0.0000 H 0 0 0
- -3.5977 1.5394 0.0000 H 0 0 0
- 4.7665 -0.9651 0.0000 H 0 0 0
- 5.6385 -2.1439 0.0000 H 0 0 0
- 6.8173 -1.2719 0.0000 H 0 0 0
- 7.7530 -0.4644 0.0000 H 0 0 0
- 8.1322 0.9520 0.0000 H 0 0 0
- 6.7158 1.3312 0.0000 H 0 0 0
- 4.8289 -1.2518 0.0000 H 0 0 0
- 5.8165 -2.3356 0.0000 H 0 0 0
- 6.9003 -1.3480 0.0000 H 0 0 0
- -6.7157 1.3311 0.0000 H 0 0 0
- -8.1321 0.9519 0.0000 H 0 0 0
- -7.7529 -0.4645 0.0000 H 0 0 0
- -6.9029 -1.3433 0.0000 H 0 0 0
- -5.8214 -2.3336 0.0000 H 0 0 0
- -4.8311 -1.2521 0.0000 H 0 0 0
- -6.8139 -1.2777 0.0000 H 0 0 0
- -5.6323 -2.1461 0.0000 H 0 0 0
- -4.7639 -0.9645 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 10 13 1 0
- 10 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 21 22 1 0
- 21 23 1 0
- 21 24 1 0
- 9 11 2 0
- 2 25 1 0
- 4 26 1 0
- 7 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 14 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 15 39 1 0
- 15 40 1 0
- 18 41 1 0
- 18 42 1 0
- 18 43 1 0
- 19 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 20 49 1 0
- 22 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 23 55 1 0
- 24 56 1 0
- 24 57 1 0
- 24 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.1572 -0.2469 0.0033 C 0 0 0
- -0.3552 -1.3820 0.0036 C 0 0 0
- -0.5724 1.0134 0.0015 C 0 0 0
- -2.9120 -0.4059 -0.0022 S 0 0 0
- 1.0195 -1.2542 0.0021 C 0 0 0
- 0.8033 1.1348 0.0000 C 0 0 0
- -3.3869 1.3449 -0.0005 C 0 0 0
- 1.5991 0.0028 0.0003 C 0 0 0
- 3.3280 0.1594 -0.0015 Cl 0 0 0
- -0.7910 -2.3285 0.0000 H 0 0 0
- -1.1712 1.8662 0.0000 H 0 0 0
- 1.6213 -2.1049 0.0000 H 0 0 0
- 1.2424 2.0798 0.0000 H 0 0 0
- -2.3812 1.6177 0.0000 H 0 0 0
- -3.6597 2.3506 0.0000 H 0 0 0
- -4.3926 1.0721 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6957-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.3826 -0.4893 -0.1836 C 0 0 0
- -1.8529 -0.4113 -0.0005 C 0 0 0
- 0.1383 0.7972 -0.3041 C 0 0 0
- 0.4780 -1.5877 -0.2409 C 0 0 0
- -2.2512 0.9226 -0.0065 C 0 0 0
- -2.8128 -1.4123 0.1631 C 0 0 0
- -1.0145 1.7656 -0.1990 C 0 0 0
- 1.4905 0.9862 -0.4830 C 0 0 0
- 1.8306 -1.3958 -0.4212 C 0 0 0
- -3.5814 1.2513 0.1481 C 0 0 0
- -4.1410 -1.0741 0.3166 C 0 0 0
- 2.3434 -0.1102 -0.5443 C 0 0 0
- -4.5270 0.2545 0.3102 C 0 0 0
- 3.7165 0.0809 -0.7261 N 0 0 0
- 4.5221 0.2403 0.3426 C 0 0 0
- 4.0723 0.1267 1.4633 O 0 0 0
- 0.0901 -2.5515 0.0000 H 0 0 0
- -2.5272 -2.4112 0.0000 H 0 0 0
- -0.2765 2.4969 0.0000 H 0 0 0
- -1.6755 2.5671 0.0000 H 0 0 0
- 1.8811 1.9489 0.0000 H 0 0 0
- 2.4726 -2.2126 0.0000 H 0 0 0
- -3.8732 2.2484 0.0000 H 0 0 0
- -4.8632 -1.8209 0.0000 H 0 0 0
- -5.5366 0.4996 0.0000 H 0 0 0
- 3.8890 -0.9436 0.0000 H 0 0 0
- 5.5357 0.4684 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 2 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-128-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 0.6969 -0.1150 0.0023 C 0 0 0
- -0.6969 0.1144 0.0015 C 0 0 0
- 1.5849 0.9843 0.0012 C 0 0 0
- 1.1808 -1.4424 -0.0018 C 0 0 0
- -1.5852 -0.9851 0.0029 C 0 0 0
- -1.1804 1.4415 -0.0002 C 0 0 0
- 3.0441 0.7635 0.0013 C 0 0 0
- 1.0800 2.2806 -0.0003 C 0 0 0
- 2.6340 -1.6940 -0.0012 C 0 0 0
- 0.2854 -2.5074 -0.0069 C 0 0 0
- -3.0444 -0.7638 0.0014 C 0 0 0
- -1.0801 -2.2809 0.0052 C 0 0 0
- -2.6335 1.6936 -0.0011 C 0 0 0
- -0.2850 2.5070 -0.0006 C 0 0 0
- 3.5597 -0.5461 0.0031 C 0 0 0
- 3.9207 1.8468 -0.0007 C 0 0 0
- 3.0630 -2.8325 -0.0044 O 0 0 0
- -3.5595 0.5461 -0.0007 C 0 0 0
- -3.9218 -1.8465 0.0026 C 0 0 0
- -3.0622 2.8323 -0.0020 O 0 0 0
- 4.9393 -0.7474 0.0027 C 0 0 0
- 5.2843 1.6284 -0.0010 C 0 0 0
- -4.9389 0.7483 -0.0021 C 0 0 0
- -5.2852 -1.6271 0.0017 C 0 0 0
- 5.7910 0.3392 0.0007 C 0 0 0
- -5.7913 -0.3378 -0.0013 C 0 0 0
- 1.7387 3.0921 0.0000 H 0 0 0
- 0.6474 -3.4879 0.0000 H 0 0 0
- -1.7387 -3.0925 0.0000 H 0 0 0
- -0.6471 3.4875 0.0000 H 0 0 0
- 3.5468 2.8228 0.0000 H 0 0 0
- -3.5486 -2.8228 0.0000 H 0 0 0
- 5.3275 -1.7178 0.0000 H 0 0 0
- 5.9395 2.4427 0.0000 H 0 0 0
- -5.3265 1.7190 0.0000 H 0 0 0
- -5.9409 -2.4410 0.0000 H 0 0 0
- 6.8252 0.1880 0.0000 H 0 0 0
- -6.8254 -0.1861 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 2 0
- 9 17 2 0
- 11 18 1 0
- 11 19 2 0
- 13 20 2 0
- 15 21 2 0
- 16 22 1 0
- 18 23 2 0
- 19 24 1 0
- 21 25 1 0
- 23 26 1 0
- 8 14 2 0
- 9 15 1 0
- 10 12 1 0
- 13 18 1 0
- 22 25 2 0
- 24 26 2 0
- 8 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 16 31 1 0
- 19 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
- 24 36 1 0
- 25 37 1 0
- 26 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.0159 -0.2726 0.4033 C 0 0 0
- -0.1590 -1.4335 -0.5484 C 0 0 0
- 1.2904 0.4382 0.1591 C 0 0 0
- -1.1660 0.6852 0.2273 C 0 0 0
- -0.0346 -0.8355 1.7437 O 0 0 0
- -0.2518 -2.5814 0.2433 C 0 0 0
- -0.2077 -1.5303 -1.9196 C 0 0 0
- 1.5510 0.9972 -1.0781 C 0 0 0
- 2.2239 0.5350 1.1747 C 0 0 0
- -2.3230 0.2658 -0.4023 C 0 0 0
- -1.0643 1.9804 0.7010 C 0 0 0
- -0.1707 -2.1692 1.6564 C 0 0 0
- -0.3940 -3.8276 -0.3699 C 0 0 0
- -0.3493 -2.7700 -2.5206 C 0 0 0
- 2.7477 1.6498 -1.3044 C 0 0 0
- 3.4217 1.1863 0.9536 C 0 0 0
- -3.3791 1.1419 -0.5645 C 0 0 0
- -2.1171 2.8601 0.5414 C 0 0 0
- -0.2203 -2.9262 2.6050 O 0 0 0
- -0.4413 -3.9131 -1.7459 C 0 0 0
- 3.6879 1.7437 -0.2889 C 0 0 0
- -3.2776 2.4431 -0.0949 C 0 0 0
- 4.8658 2.3847 -0.5091 O 0 0 0
- -4.3148 3.3068 -0.2536 O 0 0 0
- -1.0940 -1.2659 0.0000 H 0 0 0
- 0.8767 1.6302 0.0000 H 0 0 0
- 2.4978 -0.3484 0.0000 H 0 0 0
- -2.4816 -0.6454 0.0000 H 0 0 0
- -0.2118 2.3390 0.0000 H 0 0 0
- 0.4869 -4.1093 0.0000 H 0 0 0
- -1.2698 -2.6804 0.0000 H 0 0 0
- 2.4749 2.5335 0.0000 H 0 0 0
- 4.0926 0.5497 0.0000 H 0 0 0
- -4.2309 0.7816 0.0000 H 0 0 0
- -1.9556 3.7707 0.0000 H 0 0 0
- -0.7083 -4.7986 0.0000 H 0 0 0
- 5.6782 2.8268 0.0000 H 0 0 0
- -5.0255 3.8986 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 11 18 2 0
- 12 19 2 0
- 13 20 2 0
- 15 21 2 0
- 17 22 2 0
- 21 23 1 0
- 22 24 1 0
- 6 12 1 0
- 14 20 1 0
- 16 21 1 0
- 18 22 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 20 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-623-25-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.2897 0.0024 -0.4931 C 0 0 0
- -0.6450 -1.1957 -0.2473 C 0 0 0
- -0.6440 1.1986 -0.2428 C 0 0 0
- -2.6940 0.0042 -1.0397 C 0 0 0
- 0.6451 -1.1973 0.2486 C 0 0 0
- 0.6464 1.1970 0.2533 C 0 0 0
- -3.8707 -0.0020 0.3264 Cl 0 0 0
- 1.2909 -0.0007 0.4989 C 0 0 0
- 2.6977 -0.0025 1.0392 C 0 0 0
- 3.8682 -0.0001 -0.3323 Cl 0 0 0
- -1.1685 -2.0707 0.0000 H 0 0 0
- -1.1659 2.0746 0.0000 H 0 0 0
- -2.1850 0.8877 0.0000 H 0 0 0
- -3.2066 0.8857 0.0000 H 0 0 0
- 1.1670 -2.0733 0.0000 H 0 0 0
- 1.1699 2.0720 0.0000 H 0 0 0
- 2.1877 -0.8855 0.0000 H 0 0 0
- 3.2084 -0.8851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-93-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.4700 0.6035 0.0061 C 0 0 0
- -0.4700 -0.6035 -0.0061 C 0 0 0
- 2.3351 -0.0182 -0.0002 Br 0 0 0
- -2.3351 0.0182 0.0002 Br 0 0 0
- 1.0914 1.9406 0.0000 H 0 0 0
- -0.7883 1.3721 0.0000 H 0 0 0
- -1.0914 -1.9406 0.0000 H 0 0 0
- 0.7883 -1.3721 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33813-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 14 1 V2000
- -0.2336 -0.6702 0.0020 N 0 0 0
- -1.4271 0.0019 0.0021 C 0 0 0
- 1.0268 -0.1442 0.0005 C 0 0 0
- -0.5896 -2.1345 -0.0026 C 0 0 0
- -1.0929 1.7707 -0.0003 S 0 0 0
- -2.4982 -0.7474 0.0042 N 0 0 0
- 0.9907 1.5894 -0.0016 S 0 0 0
- 2.4613 -1.0786 0.0011 S 0 0 0
- -2.1209 -2.1598 -0.0050 C 0 0 0
- -0.6676 -3.2713 0.0000 H 0 0 0
- 0.5364 -2.3087 0.0000 H 0 0 0
- -3.2420 -2.3633 0.0000 H 0 0 0
- -2.0094 -3.2938 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 7 1 0
- 6 9 1 0
- 4 10 1 0
- 4 11 1 0
- 9 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-513-85-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.7128 -0.2778 -0.4665 C 0 0 0
- -0.7128 0.2778 -0.4665 C 0 0 0
- 1.7118 0.8810 -0.4665 C 0 0 0
- 0.9119 -1.0784 0.7003 O 0 0 0
- -1.7118 -0.8810 -0.4665 C 0 0 0
- -0.9119 1.0784 0.7003 O 0 0 0
- 1.8290 -0.5437 0.0000 H 0 0 0
- -1.8290 0.5437 0.0000 H 0 0 0
- 2.5809 0.1318 0.0000 H 0 0 0
- 2.4611 1.7501 0.0000 H 0 0 0
- 0.8427 1.6302 0.0000 H 0 0 0
- 1.1888 -2.1920 0.0000 H 0 0 0
- -2.5809 -0.1318 0.0000 H 0 0 0
- -2.4611 -1.7501 0.0000 H 0 0 0
- -0.8427 -1.6302 0.0000 H 0 0 0
- -1.1888 2.1920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-999-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.8712 -0.1981 -0.0009 C 0 0 0
- 0.5841 0.5858 0.0002 C 0 0 0
- 3.0491 0.4456 -0.0002 O 0 0 0
- 1.8429 -1.4060 0.0025 O 0 0 0
- -0.5514 -0.3398 -0.0009 N 0 0 0
- 4.2892 -0.3096 -0.0013 C 0 0 0
- -1.8112 0.1391 -0.0001 C 0 0 0
- 5.4751 0.6571 -0.0001 C 0 0 0
- -2.8978 -0.7467 -0.0012 C 0 0 0
- -2.0057 1.3421 0.0015 O 0 0 0
- -4.0662 -0.3025 -0.0005 N 0 3 0
- -5.1169 0.0969 0.0001 N 0 5 0
- 1.2041 1.3841 0.0000 H 0 0 0
- -0.1390 1.2921 0.0000 H 0 0 0
- -0.3900 -1.3377 0.0000 H 0 0 0
- 3.6692 -1.1080 0.0000 H 0 0 0
- 5.0123 -1.0159 0.0000 H 0 0 0
- 6.1138 -0.1264 0.0000 H 0 0 0
- 6.2586 1.2958 0.0000 H 0 0 0
- 4.8364 1.4406 0.0000 H 0 0 0
- -2.7364 -1.7446 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 2 0
- 9 11 2 0
- 11 12 2 0
- 2 13 1 0
- 2 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99520-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 41 1 V2000
- 0.7875 -0.5811 0.1159 C 0 0 0
- -0.5717 -0.3135 0.0650 C 0 0 0
- 1.6969 0.5657 0.0935 C 0 0 0
- 1.1926 -1.9162 0.1790 C 0 0 0
- -1.1318 1.0234 -0.0104 C 0 0 0
- -1.5643 -1.2918 0.0798 C 0 0 0
- 3.0785 0.3803 0.1448 C 0 0 0
- 1.1390 1.8659 0.0191 C 0 0 0
- 2.6706 -2.2129 0.2335 C 0 0 0
- 0.2314 -2.9005 0.1883 C 0 0 0
- -2.5952 0.8206 -0.0423 C 0 0 0
- -0.2621 2.0743 -0.0323 C 0 0 0
- -2.8513 -0.5713 0.0133 C 0 0 0
- -1.1327 -2.6105 0.1481 C 0 0 0
- 3.6426 -1.0179 0.2248 C 0 0 0
- 3.9006 1.4695 0.1222 C 0 0 0
- 2.0203 2.9610 -0.0026 C 0 0 0
- 3.2929 -1.7340 -0.9608 O 0 0 0
- -3.6628 1.7107 -0.1119 C 0 0 0
- -4.1702 -1.0199 -0.0013 C 0 0 0
- 3.3668 2.7518 0.0487 C 0 0 0
- -4.9598 1.2419 -0.1252 C 0 0 0
- -5.2119 -0.1192 -0.0699 C 0 0 0
- 2.9078 -3.2309 0.0000 H 0 0 0
- 0.5342 -3.9009 0.0000 H 0 0 0
- -0.6361 3.0504 0.0000 H 0 0 0
- -1.8313 -3.3880 0.0000 H 0 0 0
- 4.6872 -1.0549 0.0000 H 0 0 0
- 4.9376 1.3381 0.0000 H 0 0 0
- 1.6428 3.9357 0.0000 H 0 0 0
- -3.4818 2.7402 0.0000 H 0 0 0
- -4.3702 -2.0458 0.0000 H 0 0 0
- 4.0120 3.5742 0.0000 H 0 0 0
- -5.7569 1.9181 0.0000 H 0 0 0
- -6.1982 -0.4652 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 2 0
- 9 18 1 0
- 11 19 1 0
- 13 20 1 0
- 16 21 2 0
- 19 22 2 0
- 20 23 2 0
- 8 12 1 0
- 9 15 1 0
- 10 14 2 0
- 11 13 2 0
- 15 18 1 0
- 17 21 1 0
- 22 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-43-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.7546 -0.6481 -0.3060 C 0 0 0
- -0.6456 -0.6638 0.3105 C 0 0 0
- 1.4674 0.5606 0.1286 N 0 0 0
- -1.3668 0.4938 -0.1160 O 0 0 0
- 0.5768 -1.6832 0.0000 H 0 0 0
- 1.7406 -1.0097 0.0000 H 0 0 0
- -1.6228 -1.0486 0.0000 H 0 0 0
- -0.4440 -1.6945 0.0000 H 0 0 0
- 2.5176 0.5509 0.0000 H 0 0 0
- 0.9507 1.4749 0.0000 H 0 0 0
- -1.9221 1.3852 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-36164-42-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -1.3280 0.6112 -0.0596 C 0 0 0
- -1.5828 -0.7820 -0.1168 C 0 0 0
- -0.0122 1.0738 -0.2235 C 0 0 0
- -2.3358 1.4641 0.1539 N 0 0 0
- -0.5224 -1.6777 -0.3350 C 0 0 0
- -2.9028 -1.2404 0.0481 C 0 0 0
- 1.0051 0.1701 -0.4363 C 0 0 0
- -3.5660 1.0392 0.3132 C 0 0 0
- 0.7424 -1.2042 -0.4901 C 0 0 0
- -3.8861 -0.3150 0.2573 C 0 0 0
- 2.3146 0.6299 -0.5995 N 0 0 0
- 3.3007 0.1470 0.1821 C 0 0 0
- 4.7314 0.5409 -0.0804 C 0 0 0
- 3.0366 -0.6046 1.0966 O 0 0 0
- 0.1886 2.0952 0.0000 H 0 0 0
- -0.7001 -2.7033 0.0000 H 0 0 0
- -3.1202 -2.2584 0.0000 H 0 0 0
- -4.3381 1.7374 0.0000 H 0 0 0
- 1.5380 -1.8754 0.0000 H 0 0 0
- -4.8830 -0.6144 0.0000 H 0 0 0
- 2.3758 1.6690 0.0000 H 0 0 0
- 5.0077 -0.4627 0.0000 H 0 0 0
- 5.7350 0.8172 0.0000 H 0 0 0
- 4.4551 1.5445 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 9 1 0
- 8 10 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7704-40-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.1482 0.9242 -0.0024 C 0 0 0
- -1.1494 -0.5440 -0.0013 C 0 0 0
- 0.0001 1.5918 -0.0026 N 0 0 0
- -2.3856 1.6058 0.0026 C 0 0 0
- 0.0001 -1.2141 0.0001 N 0 0 0
- -2.3838 -1.2214 -0.0011 C 0 0 0
- 1.1482 0.9244 -0.0017 C 0 0 0
- -3.5417 0.8984 0.0084 C 0 0 0
- 1.1493 -0.5441 0.0004 C 0 0 0
- -3.5455 -0.5047 -0.0021 C 0 0 0
- 2.3857 1.6059 -0.0017 C 0 0 0
- 2.3838 -1.2215 0.0012 C 0 0 0
- -4.7628 -1.1819 -0.0019 N 0 0 0
- 3.5417 0.8984 -0.0007 C 0 0 0
- 3.5455 -0.5047 0.0010 C 0 0 0
- 4.7628 -1.1819 0.0023 N 0 0 0
- -2.4094 2.6503 0.0000 H 0 0 0
- -2.4104 -2.2658 0.0000 H 0 0 0
- -4.4524 1.4104 0.0000 H 0 0 0
- 2.4096 2.6504 0.0000 H 0 0 0
- 2.4104 -2.2659 0.0000 H 0 0 0
- -5.6591 -0.6452 0.0000 H 0 0 0
- -4.7794 -2.2265 0.0000 H 0 0 0
- 4.4524 1.4104 0.0000 H 0 0 0
- 4.7794 -2.2265 0.0000 H 0 0 0
- 5.6591 -0.6452 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 2 0
- 15 16 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1912-24-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.9226 -0.7265 0.0516 C 0 0 0
- -0.2183 -1.4071 0.0184 N 0 0 0
- 0.9017 0.6039 0.0680 N 0 0 0
- 2.1275 -1.3987 0.0748 N 0 0 0
- -1.3764 -0.7563 0.0018 C 0 0 0
- -0.2533 1.2491 0.0514 C 0 0 0
- 3.3848 -0.6476 0.1113 C 0 0 0
- -1.3907 0.5744 0.0183 N 0 0 0
- -2.5634 -1.4595 -0.0322 N 0 0 0
- -0.2763 2.9848 0.0735 Cl 0 0 0
- 4.4457 -1.4648 0.8513 C 0 0 0
- 3.8570 -0.3739 -1.3180 C 0 0 0
- -3.8400 -0.7411 -0.0506 C 0 0 0
- -4.9913 -1.7481 -0.0875 C 0 0 0
- 2.1423 -2.3998 0.0000 H 0 0 0
- 2.8770 0.2153 0.0000 H 0 0 0
- -2.5523 -2.4607 0.0000 H 0 0 0
- 3.8347 -2.2580 0.0000 H 0 0 0
- 5.2389 -2.0758 0.0000 H 0 0 0
- 5.0567 -0.6716 0.0000 H 0 0 0
- 4.3591 -1.2401 0.0000 H 0 0 0
- 4.7232 0.1282 0.0000 H 0 0 0
- 3.3549 0.4923 0.0000 H 0 0 0
- -3.2536 0.0704 0.0000 H 0 0 0
- -4.5801 -0.0668 0.0000 H 0 0 0
- -5.6505 -0.9945 0.0000 H 0 0 0
- -5.7449 -2.4073 0.0000 H 0 0 0
- -4.3321 -2.5017 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 13 14 1 0
- 6 8 2 0
- 4 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-157730-35-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.9180 0.5384 0.0039 C 0 0 0
- -0.7727 -0.8719 0.0032 C 0 0 0
- 0.1952 1.3467 0.0029 C 0 0 0
- -2.2821 0.7858 0.0000 N 0 0 0
- 0.4292 -1.4302 0.0016 N 0 0 0
- -2.0200 -1.3926 0.0045 N 0 0 0
- 1.4563 0.7269 0.0012 C 0 0 0
- -2.9084 -0.4279 -0.0028 C 0 0 0
- -2.9292 2.1001 -0.0004 C 0 0 0
- 1.5379 -0.6907 0.0006 C 0 0 0
- 2.6510 1.4682 -0.0004 C 0 0 0
- -4.2705 -0.6115 -0.0066 N 0 0 0
- 2.8153 -1.2820 -0.0016 C 0 0 0
- 3.8367 0.7973 -0.0025 C 0 0 0
- 3.8880 -0.5276 -0.0030 N 0 0 0
- 0.1071 2.3737 0.0000 H 0 0 0
- -2.0044 2.5554 0.0000 H 0 0 0
- -3.3845 3.0249 0.0000 H 0 0 0
- -3.8540 1.6448 0.0000 H 0 0 0
- 2.6302 2.4988 0.0000 H 0 0 0
- -4.9005 0.2044 0.0000 H 0 0 0
- -4.6620 -1.5651 0.0000 H 0 0 0
- 2.9076 -2.3087 0.0000 H 0 0 0
- 4.7169 1.3337 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 6 8 2 0
- 7 10 1 0
- 14 15 1 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-205-82-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.5223 0.0180 -0.0053 C 0 0 0
- -0.0478 -1.3077 -0.0041 C 0 0 0
- 0.6414 0.9196 -0.0025 C 0 0 0
- -1.9166 0.2496 -0.0034 C 0 0 0
- 1.4275 -1.2592 -0.0015 C 0 0 0
- -0.9560 -2.3761 -0.0047 C 0 0 0
- 1.7736 0.0959 -0.0001 C 0 0 0
- 0.8655 2.2878 -0.0025 C 0 0 0
- -2.8078 -0.8512 0.0045 C 0 0 0
- -2.4339 1.5538 -0.0087 C 0 0 0
- 2.4710 -2.1702 -0.0005 C 0 0 0
- -2.2966 -2.1625 -0.0039 C 0 0 0
- 3.0877 0.5695 0.0029 C 0 0 0
- 2.1708 2.7760 0.0010 C 0 0 0
- -4.1928 -0.6151 0.0119 C 0 0 0
- -3.7824 1.7460 -0.0030 C 0 0 0
- 3.7885 -1.7145 0.0027 C 0 0 0
- 3.2715 1.9629 0.0040 C 0 0 0
- 4.1179 -0.3865 0.0050 C 0 0 0
- -4.6595 0.6641 0.0081 C 0 0 0
- -0.5920 -3.3605 0.0000 H 0 0 0
- 0.0545 2.9539 0.0000 H 0 0 0
- -1.7843 2.3781 0.0000 H 0 0 0
- 2.2704 -3.2004 0.0000 H 0 0 0
- -2.9553 -2.9795 0.0000 H 0 0 0
- 2.3164 3.8154 0.0000 H 0 0 0
- -4.8648 -1.4213 0.0000 H 0 0 0
- -4.1658 2.7230 0.0000 H 0 0 0
- 4.5632 -2.4225 0.0000 H 0 0 0
- 4.2375 2.3733 0.0000 H 0 0 0
- 5.1237 -0.0866 0.0000 H 0 0 0
- -5.6946 0.8372 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 13 18 1 0
- 13 19 1 0
- 15 20 2 0
- 5 7 1 0
- 9 12 2 0
- 14 18 2 0
- 16 20 1 0
- 17 19 2 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-947-72-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 1.3448 -0.4449 -0.0015 C 0 0 0
- 0.0378 -1.1081 -0.0011 C 0 0 0
- 1.3895 0.9678 -0.0011 C 0 0 0
- 2.5349 -1.1748 0.0034 C 0 0 0
- -1.1285 -0.3101 -0.0002 C 0 0 0
- -0.0760 -2.4997 -0.0011 C 0 0 0
- 0.1868 1.7108 0.0002 C 0 0 0
- 2.6350 1.6122 -0.0015 C 0 0 0
- 3.7321 -0.5175 0.0033 C 0 0 0
- -1.0171 1.1005 -0.0003 C 0 0 0
- -2.3838 -0.9343 0.0002 C 0 0 0
- -1.3135 -3.0776 -0.0002 C 0 0 0
- 3.7804 0.8716 -0.0023 C 0 0 0
- -2.4594 2.0666 0.0008 Cl 0 0 0
- -2.4628 -2.2961 -0.0002 C 0 0 0
- 2.5097 -2.2217 0.0000 H 0 0 0
- 0.7837 -3.0977 0.0000 H 0 0 0
- 0.2309 2.7571 0.0000 H 0 0 0
- 2.6855 2.6582 0.0000 H 0 0 0
- 4.6239 -1.0664 0.0000 H 0 0 0
- -3.2576 -0.3572 0.0000 H 0 0 0
- -1.3973 -4.1214 0.0000 H 0 0 0
- 4.7087 1.3561 0.0000 H 0 0 0
- -3.4021 -2.7590 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 7 10 1 0
- 9 13 1 0
- 12 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17722-52-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.3278 1.1079 -0.1418 N 0 0 0
- -1.3060 0.1813 -0.1101 C 0 0 0
- 1.0136 0.7119 -0.0844 C 0 0 0
- -2.7482 0.6107 -0.0285 C 0 0 0
- -1.0255 -0.9981 -0.1473 O 0 0 0
- 2.0166 1.6662 0.0191 C 0 0 0
- 1.3430 -0.6367 -0.1251 C 0 0 0
- -3.6482 -0.6264 -0.0068 C 0 0 0
- 3.3395 1.2727 0.0755 C 0 0 0
- 2.6670 -1.0248 -0.0683 C 0 0 0
- -5.0904 -0.1971 0.0748 C 0 0 0
- 3.6654 -0.0712 0.0290 C 0 0 0
- -5.3698 0.9778 0.1118 O 0 0 0
- -6.0646 -1.1199 0.1063 O 0 0 0
- 5.3289 -0.5624 0.1002 Cl 0 0 0
- -0.5699 2.1164 0.0000 H 0 0 0
- -2.3419 1.5649 0.0000 H 0 0 0
- -3.6504 1.1222 0.0000 H 0 0 0
- 1.7744 2.6747 0.0000 H 0 0 0
- 0.5931 -1.3532 0.0000 H 0 0 0
- -4.0545 -1.5806 0.0000 H 0 0 0
- -2.7460 -1.1379 0.0000 H 0 0 0
- 4.0914 1.9871 0.0000 H 0 0 0
- 2.9122 -2.0325 0.0000 H 0 0 0
- -6.8176 -1.8331 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 1 0
- 12 9 2 0
- 13 11 2 0
- 14 11 1 0
- 15 12 1 0
- 10 12 1 0
- 1 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13909-09-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 2.0960 0.1340 -0.2882 C 0 0 0
- 0.8168 0.8047 -0.0432 N 0 0 0
- 3.1905 1.1830 -0.4946 C 0 0 0
- 2.4504 -0.7431 0.9142 C 0 0 0
- -0.3358 0.2158 -0.4190 C 0 0 0
- 4.5264 0.4826 -0.7505 C 0 0 0
- 3.7864 -1.4436 0.6583 C 0 0 0
- -1.5126 0.8328 -0.1935 N 0 0 0
- -0.3139 -0.8713 -0.9609 O 0 0 0
- 4.8809 -0.3946 0.4519 C 0 0 0
- -2.7654 0.1926 -0.6020 C 0 0 0
- -1.5359 1.9871 0.3819 N 0 0 0
- 6.2168 -1.0950 0.1960 C 0 0 0
- -3.2924 -0.6740 0.5436 C 0 0 0
- -2.5994 2.5447 0.5856 O 0 0 0
- -4.8342 -1.4619 0.0409 Cl 0 0 0
- 1.3356 -0.5546 0.0000 H 0 0 0
- 0.8222 1.8305 0.0000 H 0 0 0
- 3.7619 2.0350 0.0000 H 0 0 0
- 2.4050 1.8429 0.0000 H 0 0 0
- 1.4292 -0.8404 0.0000 H 0 0 0
- 2.2527 -1.7497 0.0000 H 0 0 0
- 5.5476 0.5800 0.0000 H 0 0 0
- 4.7241 1.4892 0.0000 H 0 0 0
- 3.2150 -2.2956 0.0000 H 0 0 0
- 4.5719 -2.1035 0.0000 H 0 0 0
- 5.6412 0.2941 0.0000 H 0 0 0
- -2.9013 1.2094 0.0000 H 0 0 0
- -3.7694 0.4032 0.0000 H 0 0 0
- 5.7404 -2.0036 0.0000 H 0 0 0
- 7.1254 -1.5714 0.0000 H 0 0 0
- 6.6932 -0.1864 0.0000 H 0 0 0
- -3.1565 -1.6908 0.0000 H 0 0 0
- -2.2884 -0.8846 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 2 0
- 14 16 1 0
- 7 10 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 13 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-62-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.3113 0.1751 -0.2934 C 0 0 0
- 0.6854 -0.9754 -0.0683 C 0 0 0
- 0.1889 -0.6292 -1.3630 O 0 0 0
- 0.4824 1.4449 -0.1220 C 0 0 0
- -1.7572 0.1324 0.1292 C 0 0 0
- 2.0152 -0.2651 0.2327 C 0 0 0
- 0.3554 -2.2948 0.6327 C 0 0 0
- 1.7600 1.1729 0.1686 N 0 0 0
- 0.0249 2.5627 -0.2329 O 0 0 0
- -2.5728 -0.8129 -0.3635 O 0 0 0
- -2.1823 0.9492 0.9116 O 0 0 0
- 2.5039 -0.6456 1.6317 C 0 0 0
- 2.9943 -0.6328 -0.7410 O 0 0 0
- -3.9660 -0.8540 0.0437 C 0 0 0
- -0.5950 -2.0571 0.0000 H 0 0 0
- 0.1177 -3.2452 0.0000 H 0 0 0
- 1.3058 -2.5325 0.0000 H 0 0 0
- 2.4645 1.8537 0.0000 H 0 0 0
- 1.9020 -1.4186 0.0000 H 0 0 0
- 3.2769 -1.2475 0.0000 H 0 0 0
- 3.1058 0.1274 0.0000 H 0 0 0
- 3.9114 -0.9772 0.0000 H 0 0 0
- -3.9949 0.1252 0.0000 H 0 0 0
- -4.9452 -0.8829 0.0000 H 0 0 0
- -3.9371 -1.8332 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 10 14 1 0
- 2 3 1 0
- 6 8 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133591-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 0.5682 0.3618 -0.0087 C 0 0 0
- -0.9051 0.4219 -0.0025 C 0 0 0
- 1.0204 1.6895 -0.0234 C 0 0 0
- 1.4849 -0.6869 0.0021 C 0 0 0
- -1.2479 1.7820 -0.0138 C 0 0 0
- -1.9041 -0.5488 0.0113 C 0 0 0
- -0.0815 2.5258 -0.0263 N 0 0 0
- 2.3888 1.9434 -0.0317 C 0 0 0
- 2.8360 -0.4155 -0.0083 C 0 0 0
- 1.0008 -2.1138 0.0256 C 0 0 0
- -2.5910 2.1465 -0.0115 C 0 0 0
- -3.2286 -0.1682 0.0138 C 0 0 0
- 3.2848 0.8964 -0.0255 C 0 0 0
- 2.8910 3.3642 -0.0480 C 0 0 0
- 3.8118 -1.5284 0.0036 N 0 3 0
- -3.5692 1.1758 0.0018 C 0 0 0
- -4.2917 -1.1981 0.0280 N 0 3 0
- 4.5183 -1.7085 0.9793 O 0 0 0
- 3.9082 -2.2642 -0.9623 O 0 5 0
- -5.4630 -0.8643 0.0302 O 0 0 0
- -3.9950 -2.3794 0.0374 O 0 5 0
- -1.6513 -1.5575 0.0000 H 0 0 0
- -0.0391 3.5648 0.0000 H 0 0 0
- 0.0160 -1.7797 0.0000 H 0 0 0
- 0.6667 -3.0986 0.0000 H 0 0 0
- 1.9856 -2.4479 0.0000 H 0 0 0
- -2.8566 3.1519 0.0000 H 0 0 0
- 4.3062 1.0919 0.0000 H 0 0 0
- 3.8715 3.0176 0.0000 H 0 0 0
- 3.2376 4.3447 0.0000 H 0 0 0
- 1.9105 3.7108 0.0000 H 0 0 0
- -4.5713 1.4537 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 15 18 2 0
- 15 19 1 0
- 17 20 2 0
- 17 21 1 0
- 5 7 1 0
- 9 13 1 0
- 12 16 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81340-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.2645 -0.0726 0.0031 C 0 0 0
- 0.5948 -1.1945 -0.0194 C 0 0 0
- 0.2568 1.2370 0.0252 C 0 0 0
- -1.6643 -0.2701 -0.0027 C 0 0 0
- 1.9955 -1.0324 -0.0203 C 0 0 0
- 0.0395 -2.4940 -0.0418 C 0 0 0
- 1.7158 1.4407 0.0250 C 0 0 0
- -0.6151 2.3205 0.0465 C 0 0 0
- -2.5121 0.8427 0.0195 C 0 0 0
- -2.1881 -1.5853 -0.0302 C 0 0 0
- 2.5721 0.3229 0.0026 C 0 0 0
- 2.8145 -2.1559 -0.0432 C 0 0 0
- -1.3669 -2.6573 -0.0417 C 0 0 0
- 0.8936 -3.6025 -0.0641 C 0 0 0
- 2.2591 2.7252 0.0462 C 0 0 0
- -1.9840 2.1154 0.0460 C 0 0 0
- -3.9802 0.6526 0.0134 N 0 3 0
- 3.9540 0.5126 0.0018 C 0 0 0
- 2.2598 -3.4243 -0.0650 C 0 0 0
- 3.6266 2.8907 0.0451 C 0 0 0
- -4.6746 1.2982 -0.7512 O 0 0 0
- -4.4936 -0.1493 0.7728 O 0 5 0
- 4.4702 1.7895 0.0230 C 0 0 0
- -0.2346 3.2950 0.0000 H 0 0 0
- -3.2244 -1.7285 0.0000 H 0 0 0
- 3.8545 -2.0423 0.0000 H 0 0 0
- -1.7750 -3.6206 0.0000 H 0 0 0
- 0.4936 -4.5692 0.0000 H 0 0 0
- 1.6297 3.5608 0.0000 H 0 0 0
- -2.6280 2.9399 0.0000 H 0 0 0
- 4.5967 -0.3129 0.0000 H 0 0 0
- 2.8880 -4.2608 0.0000 H 0 0 0
- 4.0324 3.8549 0.0000 H 0 0 0
- 5.5069 1.9301 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 15 20 2 0
- 17 21 2 0
- 17 22 1 0
- 18 23 2 0
- 7 11 2 0
- 9 16 1 0
- 10 13 2 0
- 14 19 2 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-73198-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.0374 -2.8737 -0.2902 C 0 0 0
- -2.3315 -3.4633 -0.1495 O 0 0 0
- -1.0182 -1.5129 0.4090 C 0 0 0
- 0.3488 -0.8901 0.2603 C 0 0 0
- -2.0138 -0.6285 -0.2131 N 0 0 0
- 0.5281 0.4264 0.0007 C 0 0 0
- 1.5639 -1.5102 0.3557 N 0 0 0
- -1.8789 0.7009 0.3940 C 0 0 0
- 1.9510 0.6586 -0.0789 C 0 0 0
- -0.6207 1.3918 -0.1522 C 0 0 0
- 2.5638 -0.6011 0.1543 C 0 0 0
- -3.0921 1.5306 0.0613 C 0 0 0
- 2.7174 1.8026 -0.3218 C 0 0 0
- 3.9509 -0.7267 0.1471 C 0 0 0
- -3.9784 1.0615 -0.6128 O 0 0 0
- -3.1882 2.7906 0.5138 O 0 0 0
- 4.0818 1.6484 -0.3231 C 0 0 0
- 4.6841 0.4222 -0.0959 C 0 0 0
- -0.7532 -3.8608 0.0000 H 0 0 0
- -0.0193 -2.7374 0.0000 H 0 0 0
- -3.2663 -3.8892 0.0000 H 0 0 0
- -1.9581 -1.9272 0.0000 H 0 0 0
- -2.9709 -1.0016 0.0000 H 0 0 0
- 1.7001 -2.5283 0.0000 H 0 0 0
- -1.0224 0.1338 0.0000 H 0 0 0
- 0.1318 2.0910 0.0000 H 0 0 0
- -1.2221 2.2246 0.0000 H 0 0 0
- 2.2855 2.7346 0.0000 H 0 0 0
- 4.4035 -1.6488 0.0000 H 0 0 0
- -3.2663 3.8148 0.0000 H 0 0 0
- 4.6731 2.4884 0.0000 H 0 0 0
- 5.7097 0.3650 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 1 0
- 5 3 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 1 0
- 12 8 1 0
- 13 9 2 0
- 14 11 2 0
- 15 12 2 0
- 16 12 1 0
- 17 13 1 0
- 18 14 1 0
- 8 10 1 0
- 9 11 1 0
- 17 18 2 0
- 1 19 1 0
- 1 20 1 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-07-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 1.1492 0.4998 0.0000 C 0 0 0
- 0.1188 -0.6311 0.0000 C 0 0 0
- 2.4659 -0.0555 0.0000 O 0 0 0
- -1.5425 0.0695 0.0000 Cl 0 0 0
- 1.7117 1.4999 0.0000 H 0 0 0
- 0.2191 1.1718 0.0000 H 0 0 0
- -0.4437 -1.6312 0.0000 H 0 0 0
- 1.0489 -1.3031 0.0000 H 0 0 0
- 3.5232 -0.5014 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17024-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.4163 -0.3358 0.0010 C 0 0 0
- -1.8812 -0.3887 0.0010 C 0 0 0
- 0.2172 0.9273 0.0001 C 0 0 0
- 0.3574 -1.4979 -0.0039 C 0 0 0
- -2.6041 0.8255 0.0001 C 0 0 0
- -2.5690 -1.6036 0.0013 C 0 0 0
- 1.6179 0.9895 0.0001 C 0 0 0
- -0.5633 2.1069 -0.0011 C 0 0 0
- 1.7199 -1.4039 -0.0037 C 0 0 0
- -1.9107 2.0582 -0.0012 C 0 0 0
- -4.0056 0.7865 0.0001 C 0 0 0
- -3.9348 -1.6081 0.0008 C 0 0 0
- 2.3468 -0.1634 0.0010 C 0 0 0
- -4.6494 -0.4160 0.0008 C 0 0 0
- 3.8253 -0.0925 0.0009 N 0 3 0
- 4.4841 -1.1169 0.0017 O 0 0 0
- 4.3830 0.9903 0.0002 O 0 5 0
- -0.1049 -2.4374 0.0000 H 0 0 0
- -2.0402 -2.5073 0.0000 H 0 0 0
- 2.1026 1.9176 0.0000 H 0 0 0
- -0.0844 3.0380 0.0000 H 0 0 0
- 2.2989 -2.2763 0.0000 H 0 0 0
- -2.4555 2.9523 0.0000 H 0 0 0
- -4.5560 1.6772 0.0000 H 0 0 0
- -4.4494 -2.5200 0.0000 H 0 0 0
- -5.6962 -0.4414 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 11 14 2 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 8 10 2 0
- 9 13 1 0
- 12 14 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.0423 -0.0053 -0.0010 C 0 0 0
- -1.3259 0.7102 0.0008 C 0 0 0
- 1.1148 0.6863 0.0008 O 0 0 0
- -0.0239 -1.2205 0.0008 O 0 0 0
- -2.4682 0.0274 -0.0010 C 0 0 0
- 2.3831 -0.0206 -0.0010 C 0 0 0
- -1.3412 1.7211 0.0000 H 0 0 0
- -3.3513 0.5196 0.0000 H 0 0 0
- -2.4529 -0.9835 0.0000 H 0 0 0
- 1.8909 -0.9037 0.0000 H 0 0 0
- 3.2662 -0.5128 0.0000 H 0 0 0
- 2.8753 0.8625 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 2 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3694-52-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.4550 -0.3580 0.0355 C 0 0 0
- -0.5134 0.6289 -0.0642 C 0 0 0
- 1.8891 0.0077 0.0155 N 0 3 0
- 0.0810 -1.6838 0.1594 C 0 0 0
- -1.8640 0.2797 -0.0445 C 0 0 0
- -0.1372 1.9722 -0.1839 N 0 0 0
- 2.6361 -0.5014 -0.8008 O 0 0 0
- 2.3223 0.8177 0.8154 O 0 5 0
- -1.2570 -2.0292 0.1842 C 0 0 0
- -2.2298 -1.0520 0.0747 C 0 0 0
- -2.8471 1.2716 -0.1443 N 0 0 0
- 0.8056 -2.4248 0.0000 H 0 0 0
- 0.8668 2.2291 0.0000 H 0 0 0
- -0.8617 2.7132 0.0000 H 0 0 0
- -1.5310 -3.0287 0.0000 H 0 0 0
- -3.2320 -1.3160 0.0000 H 0 0 0
- -2.5744 2.2715 0.0000 H 0 0 0
- -3.8494 1.0078 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 9 10 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4251-89-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 59 1 V2000
- -5.4764 0.6751 0.4174 C 0 0 0
- -6.2547 1.6178 -0.2978 C 0 0 0
- -4.2225 1.0628 0.9232 C 0 0 0
- -5.9511 -0.6396 0.6286 C 0 0 0
- -7.5632 1.1995 -0.8208 C 0 0 0
- -5.8193 2.8538 -0.4951 N 0 0 0
- -3.7972 2.3869 0.6906 C 0 0 0
- -3.4330 0.1747 1.6260 N 0 0 0
- -7.1512 -1.0409 0.1616 C 0 0 0
- -7.9986 -0.1241 -0.5933 C 0 0 0
- -8.3769 2.0820 -1.5329 C 0 0 0
- -4.6380 3.2691 -0.0355 C 0 0 0
- -2.5570 2.8429 1.1665 C 0 0 0
- -2.5755 -0.4983 0.6413 C 0 0 0
- -9.2442 -0.5315 -1.0880 C 0 0 0
- -9.5874 1.6560 -2.0030 C 0 0 0
- -4.2051 4.5900 -0.2616 C 0 0 0
- -2.1737 4.1268 0.9262 C 0 0 0
- -1.6691 -1.5025 1.3563 C 0 0 0
- -10.0181 0.3538 -1.7813 C 0 0 0
- -2.9981 4.9974 0.2149 C 0 0 0
- -0.7759 -2.2035 0.3307 C 0 0 0
- 0.0942 -3.1676 1.0172 N 0 0 0
- 0.9209 -3.8019 -0.0184 C 0 0 0
- 1.0050 -2.3858 1.8641 C 0 0 0
- 0.6050 -5.2978 -0.0776 C 0 0 0
- 1.1637 -3.0797 3.2184 C 0 0 0
- 1.6196 -6.0764 -1.3485 Cl 0 0 0
- 14.3154 0.4583 -0.4658 Cl 0 0 0
- 22.7621 2.3683 -0.3997 Cl 0 0 0
- -5.2810 -1.3259 0.0000 H 0 0 0
- -4.0902 -0.5240 0.0000 H 0 0 0
- -7.3894 -1.9700 0.0000 H 0 0 0
- -8.1454 3.0128 0.0000 H 0 0 0
- -1.8580 2.1861 0.0000 H 0 0 0
- -1.6505 -0.2446 0.0000 H 0 0 0
- -2.3860 0.4420 0.0000 H 0 0 0
- -9.4984 -1.4564 0.0000 H 0 0 0
- -10.2720 2.3278 0.0000 H 0 0 0
- -4.8863 5.2652 0.0000 H 0 0 0
- -1.2407 4.3492 0.0000 H 0 0 0
- -2.5941 -1.7562 0.0000 H 0 0 0
- -1.8586 -2.4428 0.0000 H 0 0 0
- -10.9583 0.1637 0.0000 H 0 0 0
- -2.7668 5.9283 0.0000 H 0 0 0
- 0.1491 -1.9498 0.0000 H 0 0 0
- -0.5864 -1.2632 0.0000 H 0 0 0
- 1.8196 -4.1370 0.0000 H 0 0 0
- 1.3855 -2.9628 0.0000 H 0 0 0
- 1.8935 -2.0244 0.0000 H 0 0 0
- 0.5054 -1.5670 0.0000 H 0 0 0
- -0.2937 -4.9627 0.0000 H 0 0 0
- 0.1403 -6.1369 0.0000 H 0 0 0
- 0.2287 -3.2936 0.0000 H 0 0 0
- 1.3776 -4.0147 0.0000 H 0 0 0
- 2.0987 -2.8658 0.0000 H 0 0 0
- 15.2746 0.4583 0.0000 H 0 0 0
- 23.7213 2.3683 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 14 19 1 0
- 15 20 2 0
- 17 21 2 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 7 12 1 0
- 9 10 1 0
- 16 20 1 0
- 18 21 1 0
- 4 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 16 39 1 0
- 17 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 26 52 1 0
- 26 53 1 0
- 27 54 1 0
- 27 55 1 0
- 27 56 1 0
- 29 57 1 0
- 30 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-880-93-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -2.3737 -0.0238 -0.0233 N 0 3 0
- -3.1927 -0.5366 0.7182 O 0 5 0
- -2.7032 0.8943 -0.7526 O 0 0 0
- -0.9765 -0.5124 -0.0336 C 0 0 0
- 0.0910 0.3997 0.0183 C 0 0 0
- -0.7191 -1.8481 -0.0876 C 0 0 0
- 1.4222 -0.0874 0.0079 C 0 0 0
- -0.1349 1.7855 0.0797 C 0 0 0
- 0.5894 -2.3268 -0.0977 C 0 0 0
- 1.6484 -1.4727 -0.0539 C 0 0 0
- 2.4901 0.8249 0.0593 C 0 0 0
- 0.9240 2.6389 0.1283 C 0 0 0
- 3.0562 -2.0104 -0.0659 C 0 0 0
- 2.2329 2.1600 0.1181 C 0 0 0
- -1.5151 -2.5257 0.0000 H 0 0 0
- -1.1112 2.1590 0.0000 H 0 0 0
- 0.7601 -3.3581 0.0000 H 0 0 0
- 3.4767 0.4795 0.0000 H 0 0 0
- 0.7535 3.6702 0.0000 H 0 0 0
- 2.6832 -2.9869 0.0000 H 0 0 0
- 4.0327 -2.3834 0.0000 H 0 0 0
- 3.4292 -1.0339 0.0000 H 0 0 0
- 3.0289 2.8375 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 2 0
- 11 7 1 0
- 12 8 2 0
- 13 10 1 0
- 14 11 2 0
- 9 10 1 0
- 12 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-72-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.3667 -0.8111 0.1640 C 0 0 0
- -1.6615 -1.3007 0.3736 N 0 0 0
- 0.3130 -0.1798 1.1978 C 0 0 0
- 0.2403 -0.9618 -1.0758 C 0 0 0
- -2.7648 -0.4703 0.1628 C 0 0 0
- 1.5900 0.3024 0.9912 C 0 0 0
- 1.5177 -0.4794 -1.2824 C 0 0 0
- -4.0352 -0.8919 0.5358 C 0 0 0
- -2.5937 0.7813 -0.4152 C 0 0 0
- 2.1951 0.1563 -0.2504 C 0 0 0
- -5.1234 -0.0683 0.3263 C 0 0 0
- -3.6867 1.6000 -0.6218 C 0 0 0
- 3.4896 0.6457 -0.4600 N 0 0 0
- -4.9502 1.1751 -0.2541 C 0 0 0
- 4.6070 0.1235 0.3305 C 0 0 0
- 5.4612 -0.7991 -0.5414 C 0 0 0
- 5.4637 1.2871 0.8334 C 0 0 0
- -1.8031 -2.2925 0.0000 H 0 0 0
- -0.2147 0.6718 0.0000 H 0 0 0
- 0.2992 -1.9619 0.0000 H 0 0 0
- 1.5279 1.3023 0.0000 H 0 0 0
- 2.0476 -1.3296 0.0000 H 0 0 0
- -4.1985 -1.8803 0.0000 H 0 0 0
- -1.6694 1.1678 0.0000 H 0 0 0
- -6.0491 -0.4513 0.0000 H 0 0 0
- -3.5278 2.5892 0.0000 H 0 0 0
- 3.5275 1.6468 0.0000 H 0 0 0
- -5.7213 1.8147 0.0000 H 0 0 0
- 4.0163 -0.6857 0.0000 H 0 0 0
- 4.7261 -1.4797 0.0000 H 0 0 0
- 6.1418 -1.5342 0.0000 H 0 0 0
- 6.1963 -0.1185 0.0000 H 0 0 0
- 6.2705 0.6931 0.0000 H 0 0 0
- 6.0577 2.0939 0.0000 H 0 0 0
- 4.6569 1.8811 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 1 0
- 7 10 2 0
- 12 14 2 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93673-32-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- -0.0288 0.6930 -0.1237 C 0 0 0
- -1.3694 0.9927 -0.1622 C 0 0 0
- 0.8333 1.8552 -0.2030 C 0 0 0
- 0.4941 -0.6583 -0.0195 C 0 0 0
- -1.5101 2.4897 -0.2797 C 0 0 0
- -2.2731 -0.0720 -0.0898 C 0 0 0
- -0.0761 3.0577 -0.3033 C 0 0 0
- 2.1692 1.6822 -0.1768 C 0 0 0
- 1.9546 -0.8118 0.0058 C 0 0 0
- -0.3951 -1.7166 0.0492 C 0 0 0
- -0.9096 3.1147 0.8563 O 0 0 0
- -1.7721 -1.4460 0.0237 C 0 0 0
- -3.6644 0.1450 -0.1239 C 0 0 0
- 2.7601 0.3477 -0.0700 C 0 0 0
- 2.5505 -2.0686 0.1013 C 0 0 0
- -2.7077 -2.4988 0.0968 C 0 0 0
- -4.5109 -0.9153 -0.0508 C 0 0 0
- 4.1557 0.2045 -0.0467 C 0 0 0
- 3.9231 -2.1732 0.1215 C 0 0 0
- -4.0369 -2.2216 0.0588 C 0 0 0
- 4.7159 -1.0349 0.0516 C 0 0 0
- -2.5012 2.8357 0.0000 H 0 0 0
- 0.4233 3.9811 0.0000 H 0 0 0
- 2.7973 2.5234 0.0000 H 0 0 0
- -0.0460 -2.7067 0.0000 H 0 0 0
- -4.0452 1.1233 0.0000 H 0 0 0
- 1.9560 -2.9338 0.0000 H 0 0 0
- -2.3781 -3.4955 0.0000 H 0 0 0
- -5.5468 -0.7451 0.0000 H 0 0 0
- 4.7693 1.0563 0.0000 H 0 0 0
- 4.3733 -3.1216 0.0000 H 0 0 0
- -4.7245 -3.0149 0.0000 H 0 0 0
- 5.7613 -1.1313 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 16 20 2 0
- 18 21 2 0
- 5 7 1 0
- 7 11 1 0
- 9 14 2 0
- 10 12 1 0
- 17 20 1 0
- 19 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6691-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 1.9728 0.3881 0.1085 C 0 0 0
- 0.6754 0.7115 0.5854 C 0 0 0
- 2.9241 1.4198 -0.0282 C 0 0 0
- 2.2878 -0.8663 -0.2106 N 0 0 0
- -0.2850 -0.3099 0.7268 C 0 0 0
- 0.3658 2.0436 0.9094 C 0 0 0
- 2.5884 2.6965 0.2955 C 0 0 0
- 4.2855 1.1131 -0.5226 N 0 3 0
- 1.4110 -1.8624 -0.0978 C 0 0 0
- 0.0966 -1.6215 0.3823 C 0 0 0
- -1.5547 -0.0350 1.1870 N 0 0 0
- 1.3122 3.0101 0.7629 C 0 0 0
- 5.1061 2.0055 -0.6401 O 0 0 0
- 4.5849 -0.0315 -0.8119 O 0 5 0
- 1.7778 -3.1791 -0.4444 C 0 0 0
- -0.8085 -2.6906 0.4971 C 0 0 0
- -2.3743 0.2712 0.0070 C 0 0 0
- 0.8738 -4.1868 -0.3243 C 0 0 0
- -0.4134 -3.9473 0.1570 C 0 0 0
- -3.8049 0.5876 0.4479 C 0 0 0
- -4.6585 0.9065 -0.7811 C 0 0 0
- -6.0320 1.2103 -0.3577 N 0 0 0
- -6.7943 1.5058 -1.5782 C 0 0 0
- -6.5874 -0.0316 0.1965 C 0 0 0
- -0.5995 2.3142 0.0000 H 0 0 0
- 3.2915 3.4111 0.0000 H 0 0 0
- -1.8369 -0.9970 0.0000 H 0 0 0
- 1.0376 3.9743 0.0000 H 0 0 0
- 2.7540 -3.4074 0.0000 H 0 0 0
- -1.7912 -2.4925 0.0000 H 0 0 0
- -1.6315 0.9444 0.0000 H 0 0 0
- -2.6314 1.2402 0.0000 H 0 0 0
- 1.1966 -5.1359 0.0000 H 0 0 0
- -1.0783 -4.6976 0.0000 H 0 0 0
- -4.5477 -0.0856 0.0000 H 0 0 0
- -3.5478 -0.3814 0.0000 H 0 0 0
- -3.9157 1.5797 0.0000 H 0 0 0
- -4.9155 1.8755 0.0000 H 0 0 0
- -6.4320 2.4405 0.0000 H 0 0 0
- -7.7290 1.8681 0.0000 H 0 0 0
- -7.1566 0.5711 0.0000 H 0 0 0
- -7.5026 0.3777 0.0000 H 0 0 0
- -6.9967 -0.9468 0.0000 H 0 0 0
- -5.6722 -0.4409 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 7 12 1 0
- 9 10 1 0
- 18 19 1 0
- 6 25 1 0
- 7 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1163-19-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.0608 -0.2551 -1.1202 C 0 0 0
- 1.0085 -1.3129 -0.2236 C 0 0 0
- 2.1993 0.5359 -1.1918 C 0 0 0
- 0.0009 0.0028 -1.9312 O 0 0 0
- 2.0904 -1.5772 0.5968 C 0 0 0
- -0.5406 -2.3929 -0.1238 Br 0 0 0
- 3.2788 0.2684 -0.3699 C 0 0 0
- 2.2743 1.9778 -2.4129 Br 0 0 0
- -1.0603 0.2591 -1.1213 C 0 0 0
- 3.2244 -0.7871 0.5242 C 0 0 0
- 2.0198 -3.0185 1.8189 Br 0 0 0
- 4.8300 1.3454 -0.4669 Br 0 0 0
- -1.0096 1.3157 -0.2232 C 0 0 0
- -2.1983 -0.5323 -1.1955 C 0 0 0
- 4.7015 -1.1499 1.6478 Br 0 0 0
- -2.0908 1.5752 0.5998 C 0 0 0
- 0.5366 2.3999 -0.1240 Br 0 0 0
- -3.2770 -0.2696 -0.3710 C 0 0 0
- -2.2737 -1.9682 -2.4236 Br 0 0 0
- -3.2224 0.7817 0.5280 C 0 0 0
- -2.0222 3.0145 1.8243 Br 0 0 0
- -4.8276 -1.3473 -0.4715 Br 0 0 0
- -4.6987 1.1383 1.6547 Br 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 10 15 1 0
- 13 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 16 20 2 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 7 10 1 0
- 18 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-27-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.3759 -0.0914 -0.0747 C 0 0 0
- 0.1904 0.5288 0.0332 O 0 0 0
- 2.6509 0.6713 0.1775 C 0 0 0
- 1.4206 -1.2624 -0.3690 O 0 0 0
- -1.0382 -0.2061 -0.2098 C 0 0 0
- 3.8489 -0.2617 -0.0104 C 0 0 0
- -2.2361 0.7269 -0.0219 C 0 0 0
- 5.1434 0.5127 0.2456 C 0 0 0
- -3.5306 -0.0475 -0.2779 C 0 0 0
- -3.6318 -1.2123 0.7090 C 0 0 0
- -4.7286 0.8855 -0.0900 C 0 0 0
- 3.4445 1.4655 0.0000 H 0 0 0
- 1.9603 1.5566 0.0000 H 0 0 0
- -1.8319 -1.0003 0.0000 H 0 0 0
- -0.3477 -1.0915 0.0000 H 0 0 0
- 3.0553 -1.0560 0.0000 H 0 0 0
- 4.5395 -1.1470 0.0000 H 0 0 0
- -1.4424 1.5211 0.0000 H 0 0 0
- -2.9267 1.6122 0.0000 H 0 0 0
- 5.7198 -0.4509 0.0000 H 0 0 0
- 6.1070 1.0891 0.0000 H 0 0 0
- 4.5670 1.4763 0.0000 H 0 0 0
- -2.5788 -0.6431 0.0000 H 0 0 0
- -4.7504 -1.1151 0.0000 H 0 0 0
- -3.7290 -2.3309 0.0000 H 0 0 0
- -2.5132 -1.3095 0.0000 H 0 0 0
- -4.0387 1.7714 0.0000 H 0 0 0
- -5.6145 1.5754 0.0000 H 0 0 0
- -5.4185 -0.0004 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 9 10 1 0
- 9 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99522-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 59 1 V2000
- -2.0593 0.6132 0.5007 C 0 0 0
- -1.3739 -0.5517 -0.1658 C 0 0 0
- -1.1840 1.8306 0.4055 C 0 0 0
- -3.3859 0.8588 -0.1603 C 0 0 0
- -1.0776 -1.6886 0.5629 C 0 0 0
- -1.0466 -0.4857 -1.5070 C 0 0 0
- -1.4549 2.8226 -0.4602 C 0 0 0
- -0.0503 1.9348 1.2443 C 0 0 0
- -3.5687 1.8897 -1.0034 C 0 0 0
- -4.4655 -0.0137 0.1099 C 0 0 0
- -0.4490 -2.7570 -0.0484 C 0 0 0
- -0.4178 -1.5544 -2.1186 C 0 0 0
- -2.5478 2.7576 -1.2808 N 0 0 0
- -0.5439 4.0212 -0.5275 C 0 0 0
- 1.1620 1.5527 0.7910 O 0 0 0
- -0.1679 2.3691 2.3750 O 0 0 0
- -4.9143 2.0921 -1.6509 C 0 0 0
- -4.7239 -1.0450 -0.7213 O 0 0 0
- -5.1614 0.1654 1.0919 O 0 0 0
- -0.1165 -2.6887 -1.3887 C 0 0 0
- -0.1314 -3.9741 0.7318 N 0 3 0
- 2.0899 1.7758 1.8546 C 0 0 0
- -5.8577 -1.7316 -0.1875 C 0 0 0
- 0.4226 -4.9155 0.1931 O 0 0 0
- -0.4240 -4.0340 1.9126 O 0 5 0
- 3.4707 1.3670 1.4106 C 0 0 0
- 3.6593 0.8869 0.1894 C 0 0 0
- 5.0137 0.4859 -0.2461 C 0 0 0
- 5.2156 -0.0198 -1.5310 C 0 0 0
- 6.0967 0.6168 0.6237 C 0 0 0
- 6.4822 -0.3918 -1.9314 C 0 0 0
- 7.3587 0.2411 0.2109 C 0 0 0
- 7.5512 -0.2644 -1.0622 C 0 0 0
- -2.5643 -0.1078 0.0000 H 0 0 0
- -1.8906 -2.0260 0.0000 H 0 0 0
- -0.6877 0.3180 0.0000 H 0 0 0
- 0.3944 -1.2151 0.0000 H 0 0 0
- -2.8759 3.5744 0.0000 H 0 0 0
- 0.1569 3.4886 0.0000 H 0 0 0
- -0.0113 4.7220 0.0000 H 0 0 0
- -1.2447 4.5538 0.0000 H 0 0 0
- -4.7834 2.9625 0.0000 H 0 0 0
- -5.7847 2.2230 0.0000 H 0 0 0
- -5.0452 1.2217 0.0000 H 0 0 0
- 0.6319 -3.1520 0.0000 H 0 0 0
- 2.6133 2.4835 0.0000 H 0 0 0
- 1.6039 2.5097 0.0000 H 0 0 0
- -6.3137 -0.9787 0.0000 H 0 0 0
- -6.6106 -2.1876 0.0000 H 0 0 0
- -5.4017 -2.4845 0.0000 H 0 0 0
- 4.0656 2.0157 0.0000 H 0 0 0
- 3.0644 0.2382 0.0000 H 0 0 0
- 4.6232 -0.6708 0.0000 H 0 0 0
- 6.1710 1.4939 0.0000 H 0 0 0
- 6.4088 -1.2690 0.0000 H 0 0 0
- 7.9575 0.8863 0.0000 H 0 0 0
- 8.3043 -0.7201 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 10 19 2 0
- 11 20 1 0
- 11 21 1 0
- 15 22 1 0
- 18 23 1 0
- 21 24 2 0
- 21 25 1 0
- 22 26 1 0
- 26 27 2 0
- 27 28 1 0
- 28 29 1 0
- 28 30 2 0
- 29 31 2 0
- 30 32 1 0
- 31 33 1 0
- 9 13 1 0
- 12 20 2 0
- 32 33 2 0
- 1 34 1 0
- 5 35 1 0
- 6 36 1 0
- 12 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 14 41 1 0
- 17 42 1 0
- 17 43 1 0
- 17 44 1 0
- 20 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 23 50 1 0
- 26 51 1 0
- 27 52 1 0
- 29 53 1 0
- 30 54 1 0
- 31 55 1 0
- 32 56 1 0
- 33 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16301-26-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.4642 -0.2073 -0.2536 N 0 3 0
- -0.6409 0.3732 -0.5788 N 0 0 0
- 1.7460 0.4253 -0.5748 C 0 0 0
- 0.4420 -1.2789 0.3249 O 0 5 0
- -1.9227 -0.2593 -0.2576 C 0 0 0
- 2.5267 0.6800 0.7162 C 0 0 0
- -2.7327 0.6642 0.6545 C 0 0 0
- 1.8945 1.3421 0.0000 H 0 0 0
- 0.9991 0.9773 0.0000 H 0 0 0
- -2.6716 -0.8086 0.0000 H 0 0 0
- -1.4407 -1.0532 0.0000 H 0 0 0
- 2.8148 -0.2030 0.0000 H 0 0 0
- 3.4097 0.9681 0.0000 H 0 0 0
- 2.2386 1.5630 0.0000 H 0 0 0
- -2.0345 1.2766 0.0000 H 0 0 0
- -3.3451 1.3624 0.0000 H 0 0 0
- -3.4309 0.0518 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-137-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -1.2370 0.6888 0.0017 C 0 0 0
- -1.2179 -0.6941 0.0006 C 0 0 0
- -0.0512 1.3997 0.0017 C 0 0 0
- -2.5534 1.4224 -0.0034 C 0 0 0
- -0.0135 -1.3695 -0.0005 C 0 0 0
- -2.5129 -1.4648 0.0011 C 0 0 0
- 1.1571 0.7305 0.0006 C 0 0 0
- 1.1800 -0.6582 -0.0005 C 0 0 0
- 2.4491 1.5062 0.0001 C 0 0 0
- 2.4000 -1.3382 -0.0012 N 0 0 0
- -0.0691 2.4414 0.0000 H 0 0 0
- -2.0462 2.3325 0.0000 H 0 0 0
- -3.4635 1.9296 0.0000 H 0 0 0
- -3.0606 0.5123 0.0000 H 0 0 0
- 0.0002 -2.4113 0.0000 H 0 0 0
- -3.0457 -0.5695 0.0000 H 0 0 0
- -3.4082 -1.9976 0.0000 H 0 0 0
- -1.9801 -2.3601 0.0000 H 0 0 0
- 2.9854 0.6130 0.0000 H 0 0 0
- 3.3423 2.0425 0.0000 H 0 0 0
- 1.9128 2.3994 0.0000 H 0 0 0
- 2.4157 -2.3799 0.0000 H 0 0 0
- 3.2943 -0.8037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 7 8 2 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91828-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.2853 0.0879 -0.1106 C 0 0 0
- -0.2219 -1.2255 0.0033 C 0 0 0
- 1.6814 0.2768 -0.1939 C 0 0 0
- -0.6022 1.1840 -0.1452 C 0 0 0
- -1.6733 -1.4142 0.0869 C 0 0 0
- 0.6562 -2.3110 0.0336 C 0 0 0
- 2.5308 -0.8229 -0.1638 C 0 0 0
- 2.2570 1.6295 -0.3117 C 0 0 0
- -1.9390 1.0118 -0.0733 C 0 0 0
- -2.5096 -0.2757 0.0508 C 0 0 0
- -2.2388 -2.6857 0.2001 C 0 0 0
- 2.0152 -2.1045 -0.0491 C 0 0 0
- 4.0193 -0.6066 -0.2561 C 0 0 2
- 3.5347 1.8254 -0.0100 C 0 0 0
- -2.8255 2.1966 -0.1137 N 0 3 0
- -3.8993 -0.4460 0.1292 C 0 0 0
- -3.5962 -2.8182 0.2744 C 0 0 0
- 4.4002 0.6885 0.4583 C 0 0 1
- 4.4043 -0.5238 -1.6297 O 0 0 0
- -3.7914 2.2094 -0.8556 O 0 0 0
- -2.5891 3.1586 0.5949 O 0 5 0
- -4.4223 -1.7009 0.2391 C 0 0 0
- 4.2419 0.5189 1.8684 O 0 0 0
- -0.2144 2.1521 0.0000 H 0 0 0
- 0.2791 -3.2834 0.0000 H 0 0 0
- 1.6173 2.4532 0.0000 H 0 0 0
- -1.6287 -3.5316 0.0000 H 0 0 0
- 2.6625 -2.9223 0.0000 H 0 0 0
- 4.2040 -1.6330 0.0000 H 0 0 0
- 3.9254 2.7924 0.0000 H 0 0 0
- -4.5296 0.3849 0.0000 H 0 0 0
- -4.0200 -3.7712 0.0000 H 0 0 0
- 5.4258 0.8776 0.0000 H 0 0 0
- 5.4239 -0.3045 0.0000 H 0 0 0
- -5.4576 -1.8267 0.0000 H 0 0 0
- 3.5303 -0.2435 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 13 19 1 0
- 15 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 1 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 17 22 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1563-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.7384 0.2860 -0.3430 C 0 0 0
- -1.9291 0.8323 0.1127 C 0 0 0
- 0.3883 1.1072 -0.4361 C 0 0 0
- -0.8854 -1.0329 -0.6496 O 0 0 0
- -2.9564 -0.2833 0.1199 C 0 0 0
- -2.0077 2.1639 0.4610 C 0 0 0
- 1.5683 0.5930 -0.8755 O 0 0 0
- 0.3061 2.4422 -0.0828 C 0 0 0
- -2.0637 -1.5410 -0.0010 C 0 0 0
- -0.8899 2.9729 0.3642 C 0 0 0
- 2.3367 -0.1353 -0.0435 C 0 0 0
- -2.7418 -2.6060 -0.8652 C 0 0 0
- -1.7224 -2.1033 1.3803 C 0 0 0
- 3.5519 -0.5578 -0.4451 N 0 0 0
- 1.9345 -0.4117 1.0694 O 0 0 0
- 4.3880 -1.3503 0.4601 C 0 0 0
- -3.6302 0.4302 0.0000 H 0 0 0
- -3.7151 -0.9057 0.0000 H 0 0 0
- -2.8944 2.5843 0.0000 H 0 0 0
- 1.1120 3.0022 0.0000 H 0 0 0
- -0.9922 3.9489 0.0000 H 0 0 0
- -3.5696 -2.0789 0.0000 H 0 0 0
- -3.2689 -3.4338 0.0000 H 0 0 0
- -1.9140 -3.1331 0.0000 H 0 0 0
- -2.5613 -2.6125 0.0000 H 0 0 0
- -1.2132 -2.9422 0.0000 H 0 0 0
- -0.8835 -1.5941 0.0000 H 0 0 0
- 4.0620 0.2805 0.0000 H 0 0 0
- 3.7129 -2.0625 0.0000 H 0 0 0
- 5.1002 -2.0254 0.0000 H 0 0 0
- 5.0631 -0.6381 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 9 13 1 0
- 11 14 1 0
- 11 15 2 0
- 14 16 1 0
- 5 9 1 0
- 8 10 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-53-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.5262 0.7330 0.0018 C 0 0 0
- -0.5691 -0.6553 0.0004 C 0 0 0
- 0.6916 1.3847 0.0017 C 0 0 0
- -1.8069 1.5273 -0.0028 C 0 0 0
- 0.6139 -1.3837 -0.0011 C 0 0 0
- -1.7989 -1.3175 0.0010 N 0 0 0
- 1.8671 0.6567 0.0001 C 0 0 0
- 1.8280 -0.7258 -0.0013 C 0 0 0
- 0.7244 2.4237 0.0000 H 0 0 0
- -1.2590 2.4107 0.0000 H 0 0 0
- -2.6903 2.0752 0.0000 H 0 0 0
- -2.3548 0.6439 0.0000 H 0 0 0
- 0.5852 -2.4228 0.0000 H 0 0 0
- -2.6833 -0.7713 0.0000 H 0 0 0
- -1.8297 -2.3565 0.0000 H 0 0 0
- 2.7823 1.1496 0.0000 H 0 0 0
- 2.7135 -1.2702 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1122-58-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.3147 -0.0001 0.0032 C 0 0 0
- 0.4007 -1.1972 0.0029 C 0 0 0
- 0.4010 1.1973 0.0008 C 0 0 0
- -1.7064 0.0000 0.0000 N 0 0 0
- 1.7792 -1.1539 0.0003 C 0 0 0
- 1.7791 1.1540 -0.0018 C 0 0 0
- -2.4388 1.2688 0.0004 C 0 0 0
- -2.4389 -1.2687 -0.0036 C 0 0 0
- 2.4200 -0.0001 -0.0019 N 0 0 0
- -0.1000 -2.1130 0.0000 H 0 0 0
- -0.0997 2.1131 0.0000 H 0 0 0
- 2.3226 -2.0450 0.0000 H 0 0 0
- 2.3226 2.0451 0.0000 H 0 0 0
- -1.5348 1.7906 0.0000 H 0 0 0
- -2.9606 2.1728 0.0000 H 0 0 0
- -3.3428 0.7470 0.0000 H 0 0 0
- -3.3428 -0.7468 0.0000 H 0 0 0
- -2.9608 -2.1726 0.0000 H 0 0 0
- -1.5350 -1.7906 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3096-63-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.3535 -0.0001 -0.2490 C 0 0 0
- 0.3295 -1.2020 -0.1147 C 0 0 0
- 0.3296 1.2022 -0.1146 C 0 0 0
- -1.7228 -0.0002 -0.5243 N 0 0 0
- 1.6848 -1.1984 0.1519 C 0 0 0
- -0.4072 -2.5086 -0.2602 C 0 0 0
- 1.6845 1.1986 0.1519 C 0 0 0
- -0.4072 2.5087 -0.2600 C 0 0 0
- -2.4112 0.0000 0.7667 O 0 0 0
- 2.3615 -0.0001 0.2850 C 0 0 0
- -1.7229 -1.0325 0.0000 H 0 0 0
- 2.2064 -2.0892 0.0000 H 0 0 0
- -1.3064 -2.0016 0.0000 H 0 0 0
- -0.9142 -3.4078 0.0000 H 0 0 0
- 0.4920 -3.0156 0.0000 H 0 0 0
- 2.2061 2.0895 0.0000 H 0 0 0
- 0.4920 3.0158 0.0000 H 0 0 0
- -0.9143 3.4079 0.0000 H 0 0 0
- -1.3064 2.0016 0.0000 H 0 0 0
- -3.4435 0.0003 0.0000 H 0 0 0
- 3.3938 -0.0001 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-602-87-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 1.1311 0.1097 -0.0002 C 0 0 0
- -0.1723 -0.4176 -0.0169 C 0 0 0
- 1.3887 1.4755 0.0619 C 0 0 0
- 2.2671 -0.6919 -0.0506 C 0 0 0
- -1.2462 0.4865 0.0320 C 0 0 0
- -0.3143 -1.8135 -0.0819 C 0 0 0
- 0.3255 2.3242 0.1081 C 0 0 0
- 2.8876 1.6525 0.0610 C 0 0 0
- 3.4669 0.2229 -0.0131 C 0 0 0
- 2.0942 -2.0404 -0.1189 C 0 0 0
- -0.9786 1.8234 0.0927 C 0 0 0
- -2.6435 -0.0021 0.0176 N 0 3 0
- 0.8089 -2.5877 -0.1255 C 0 0 0
- -3.4808 0.5674 -0.6592 O 0 0 0
- -2.9558 -0.9736 0.6825 O 0 5 0
- -1.2653 -2.2531 0.0000 H 0 0 0
- 0.4857 3.3596 0.0000 H 0 0 0
- 3.8898 1.9580 0.0000 H 0 0 0
- 2.6726 2.6779 0.0000 H 0 0 0
- 4.0258 -0.6633 0.0000 H 0 0 0
- 4.3992 0.7009 0.0000 H 0 0 0
- 2.9296 -2.6727 0.0000 H 0 0 0
- -1.7794 2.4990 0.0000 H 0 0 0
- 0.7038 -3.6301 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 12 14 2 0
- 12 15 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15403-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- 0.6667 -0.3261 0.5240 C 0 0 0
- -0.6666 0.3251 0.5244 C 0 0 0
- 1.7865 0.3870 0.1152 C 0 0 0
- 0.7945 -1.6531 0.9400 C 0 0 0
- -1.7862 -0.3874 0.1153 C 0 0 0
- -0.7944 1.6521 0.9417 C 0 0 0
- 3.0391 -0.2284 0.1165 C 0 0 0
- 2.0287 -2.2650 0.9431 C 0 0 0
- -3.0391 0.2283 0.1169 C 0 0 0
- -2.0282 2.2640 0.9452 C 0 0 0
- 3.1571 -1.5654 0.5317 C 0 0 0
- 4.2319 0.5203 -0.3158 C 0 0 0
- -3.1570 1.5647 0.5327 C 0 0 0
- -4.2320 -0.5200 -0.3160 C 0 0 0
- 4.3992 -2.1849 0.5360 N 0 0 0
- 4.3098 0.9951 -1.5747 O 0 0 0
- 5.1456 0.7098 0.4626 O 0 0 0
- -4.3989 2.1843 0.5374 N 0 0 0
- -4.3107 -0.9923 -1.5757 O 0 0 0
- -5.1449 -0.7114 0.4629 O 0 0 0
- 5.4854 1.7331 -2.0008 C 0 0 0
- -5.4864 -1.7299 -2.0023 C 0 0 0
- 1.7310 1.3921 0.0000 H 0 0 0
- -0.0345 -2.2242 0.0000 H 0 0 0
- -1.7309 -1.3925 0.0000 H 0 0 0
- 0.0346 2.2232 0.0000 H 0 0 0
- 2.0764 -3.2705 0.0000 H 0 0 0
- -2.0756 3.2695 0.0000 H 0 0 0
- 4.4605 -3.1897 0.0000 H 0 0 0
- 5.2387 -1.6294 0.0000 H 0 0 0
- -4.4601 3.1891 0.0000 H 0 0 0
- -5.2385 1.6289 0.0000 H 0 0 0
- 6.0206 0.8805 0.0000 H 0 0 0
- 6.3380 2.2683 0.0000 H 0 0 0
- 4.9502 2.5857 0.0000 H 0 0 0
- -6.0214 -0.8772 0.0000 H 0 0 0
- -6.3391 -2.2649 0.0000 H 0 0 0
- -4.9514 -2.5826 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 2 0
- 13 18 1 0
- 14 19 1 0
- 14 20 2 0
- 16 21 1 0
- 19 22 1 0
- 8 11 2 0
- 10 13 1 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 15 29 1 0
- 15 30 1 0
- 18 31 1 0
- 18 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 45 1 V2000
- -1.4456 -0.3814 0.0230 C 0 0 0
- -2.6883 0.4753 0.2732 C 0 0 0
- -0.1905 0.4718 0.2169 C 0 0 0
- -3.9245 -0.3651 0.0822 C 0 0 0
- 1.0522 -0.3849 -0.0333 C 0 0 0
- -5.1444 0.1824 0.2516 N 0 0 0
- -3.8217 -1.5342 -0.2239 O 0 0 0
- 2.3073 0.4684 0.1607 C 0 0 0
- -6.3462 -0.6346 0.0659 C 0 0 0
- 3.5501 -0.3883 -0.0896 C 0 0 0
- -7.5889 0.2221 0.3161 C 0 0 0
- 4.8052 0.4649 0.1044 C 0 0 0
- -7.6081 1.3140 -0.6055 O 0 0 0
- 6.0479 -0.3918 -0.1458 C 0 0 0
- 7.3030 0.4615 0.0481 C 0 0 0
- 8.5457 -0.3952 -0.2021 C 0 0 0
- 9.8008 0.4580 -0.0082 C 0 0 0
- -2.1980 -1.2273 0.0000 H 0 0 0
- -0.6988 -1.2322 0.0000 H 0 0 0
- -1.9359 1.3212 0.0000 H 0 0 0
- -3.4351 1.3260 0.0000 H 0 0 0
- 0.5619 1.3177 0.0000 H 0 0 0
- -0.9373 1.3226 0.0000 H 0 0 0
- 0.2999 -1.2308 0.0000 H 0 0 0
- 1.7990 -1.2356 0.0000 H 0 0 0
- -5.2434 1.3101 0.0000 H 0 0 0
- 3.0596 1.3143 0.0000 H 0 0 0
- 1.5604 1.3191 0.0000 H 0 0 0
- -7.0986 -1.4805 0.0000 H 0 0 0
- -5.5994 -1.4853 0.0000 H 0 0 0
- 2.7978 -1.2342 0.0000 H 0 0 0
- 4.2969 -1.2390 0.0000 H 0 0 0
- -8.7007 0.4353 0.0000 H 0 0 0
- -8.0261 -0.8221 0.0000 H 0 0 0
- 5.5576 1.3108 0.0000 H 0 0 0
- 4.0584 1.3157 0.0000 H 0 0 0
- -7.6280 2.4459 0.0000 H 0 0 0
- 5.2956 -1.2377 0.0000 H 0 0 0
- 6.7947 -1.2425 0.0000 H 0 0 0
- 8.0553 1.3074 0.0000 H 0 0 0
- 6.5562 1.3122 0.0000 H 0 0 0
- 7.7933 -1.2411 0.0000 H 0 0 0
- 9.2925 -1.2460 0.0000 H 0 0 0
- 10.4372 -0.4782 0.0000 H 0 0 0
- 10.7370 1.0944 0.0000 H 0 0 0
- 9.1644 1.3942 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 1 18 1 0
- 1 19 1 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 3 23 1 0
- 5 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 17 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-41-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.8506 -0.0580 -0.0016 C 0 0 0
- -0.6188 -0.0370 -0.0004 C 0 0 0
- 1.6226 1.2362 -0.0008 C 0 0 0
- 1.4995 -1.2199 0.0022 C 0 0 0
- -1.2761 1.1398 0.0014 O 0 0 0
- -1.2414 -1.0808 -0.0010 O 0 0 0
- 2.4908 0.7183 0.0000 H 0 0 0
- 2.1405 2.1044 0.0000 H 0 0 0
- 0.7544 1.7541 0.0000 H 0 0 0
- 0.9816 -2.0881 0.0000 H 0 0 0
- 2.5103 -1.2343 0.0000 H 0 0 0
- -1.7691 2.0224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 2.4205 -0.4389 0.0372 C 0 0 0
- 1.3323 0.4872 -0.2760 C 0 0 0
- 3.7420 0.0617 0.1228 C 0 0 0
- 2.1802 -1.7997 0.2579 C 0 0 0
- 0.0500 0.0469 -0.3669 N 0 0 0
- 1.6407 1.8348 -0.4793 C 0 0 0
- 3.9808 1.4312 -0.0933 C 0 0 0
- 4.7919 -0.8223 0.4233 C 0 0 0
- 3.2224 -2.6300 0.5479 C 0 0 0
- -0.8915 0.6695 0.2576 N 0 0 0
- 2.9591 2.2789 -0.3834 C 0 0 0
- 0.6518 2.7164 -0.7712 O 0 0 0
- 4.5241 -2.1422 0.6269 C 0 0 0
- -2.1811 0.2266 0.1662 C 0 0 0
- -3.2038 0.8985 0.8414 C 0 0 0
- -2.4847 -0.8973 -0.6077 C 0 0 0
- -4.5030 0.4459 0.7440 C 0 0 0
- -3.7882 -1.3379 -0.6955 C 0 0 0
- -4.7950 -0.6707 -0.0194 C 0 0 0
- -5.6073 1.1689 1.4712 C 0 0 0
- -4.1176 -2.5493 -1.5293 C 0 0 0
- 1.2291 -2.1595 0.0000 H 0 0 0
- 4.9350 1.7825 0.0000 H 0 0 0
- 5.7521 -0.4876 0.0000 H 0 0 0
- 3.0633 -3.6343 0.0000 H 0 0 0
- 3.1450 3.2786 0.0000 H 0 0 0
- -0.1072 3.3931 0.0000 H 0 0 0
- 5.2977 -2.8021 0.0000 H 0 0 0
- -3.0790 1.9077 0.0000 H 0 0 0
- -1.7437 -1.5936 0.0000 H 0 0 0
- -5.7449 -1.0336 0.0000 H 0 0 0
- -5.0503 2.0196 0.0000 H 0 0 0
- -6.4580 1.7259 0.0000 H 0 0 0
- -6.1643 0.3182 0.0000 H 0 0 0
- -5.0988 -2.2825 0.0000 H 0 0 0
- -4.3844 -3.5305 0.0000 H 0 0 0
- -3.1364 -2.8161 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 18 21 1 0
- 7 11 2 0
- 9 13 1 0
- 18 19 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98911-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 56 1 V2000
- -2.6525 1.6471 0.3898 C 0 0 2
- -2.9352 0.5618 1.2754 O 0 0 0
- -1.2668 1.6363 0.0518 O 0 0 0
- -3.0090 2.9692 1.0732 C 0 0 1
- -3.2818 -0.5472 0.4660 N 0 0 0
- -1.0637 2.6131 -0.9675 C 0 0 1
- -2.7362 4.1230 0.1016 C 0 0 2
- -4.3930 2.9633 1.4291 O 0 0 0
- -2.3184 -1.5156 0.1548 C 0 0 0
- -4.5385 -0.6711 -0.0049 C 0 0 0
- -1.2902 4.0143 -0.3953 C 0 0 2
- 0.3666 2.5047 -1.4999 C 0 0 0
- -2.9147 5.3685 0.7791 O 0 0 0
- -1.6278 -1.4468 -1.0476 C 0 0 0
- -2.0498 -2.5415 1.0515 C 0 0 0
- -4.9733 -1.9552 -0.6631 C 0 0 0
- -5.3195 0.2508 0.1010 O 0 0 0
- -1.0627 4.9881 -1.4160 O 0 0 0
- 0.5752 1.1994 -2.0427 O 0 0 0
- -0.6780 -2.4014 -1.3536 C 0 0 0
- -1.1001 -3.4952 0.7446 C 0 0 0
- -0.4138 -3.4290 -0.4598 C 0 0 0
- 0.5214 -4.3684 -0.7615 O 0 0 0
- 1.7225 -3.8667 -0.3710 C 0 0 0
- 2.8918 -4.5516 -0.6696 C 0 0 0
- 1.7816 -2.6661 0.3217 C 0 0 0
- 4.1115 -4.0400 -0.2717 C 0 0 0
- 3.0036 -2.1578 0.7179 C 0 0 0
- 4.1679 -2.8451 0.4242 C 0 0 0
- 5.7021 -2.2045 0.9236 Cl 0 0 0
- 14.8459 7.5598 0.1747 O 0 0 0
- -3.6442 1.6429 0.0000 H 0 0 0
- -2.0174 2.9847 0.0000 H 0 0 0
- -2.0551 2.6353 0.0000 H 0 0 0
- -3.7269 4.1675 0.0000 H 0 0 0
- -5.3847 2.9591 0.0000 H 0 0 0
- -0.2991 3.9800 0.0000 H 0 0 0
- 1.3551 2.5844 0.0000 H 0 0 0
- 0.3642 3.4964 0.0000 H 0 0 0
- -3.0554 6.3502 0.0000 H 0 0 0
- -1.2931 -0.5133 0.0000 H 0 0 0
- -2.9106 -3.0340 0.0000 H 0 0 0
- -5.9126 -1.6371 0.0000 H 0 0 0
- -5.2914 -2.8945 0.0000 H 0 0 0
- -4.0340 -2.2733 0.0000 H 0 0 0
- -0.8371 5.9538 0.0000 H 0 0 0
- 0.7317 0.2201 0.0000 H 0 0 0
- 0.1840 -1.9110 0.0000 H 0 0 0
- -1.4361 -4.4282 0.0000 H 0 0 0
- 2.8260 -5.5411 0.0000 H 0 0 0
- 0.9704 -2.0956 0.0000 H 0 0 0
- 4.9241 -4.6084 0.0000 H 0 0 0
- 3.0725 -1.1685 0.0000 H 0 0 0
- 13.8542 7.5598 0.0000 H 0 0 0
- 15.8376 7.5598 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 2 0
- 9 15 1 0
- 10 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 15 21 2 0
- 20 22 2 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 2 0
- 25 27 2 0
- 26 28 1 0
- 27 29 1 0
- 29 30 1 0
- 7 11 1 0
- 21 22 1 0
- 28 29 2 0
- 1 32 1 0
- 4 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 16 45 1 0
- 18 46 1 0
- 19 47 1 0
- 20 48 1 0
- 21 49 1 0
- 25 50 1 0
- 26 51 1 0
- 27 52 1 0
- 28 53 1 0
- 31 54 1 0
- 31 55 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35300-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 0.3528 -0.7087 -0.3170 C 0 0 0
- 1.1973 -1.4617 0.4775 C 0 0 0
- 0.8270 0.4257 -0.9484 C 0 0 0
- -1.0831 -1.1282 -0.4997 C 0 0 0
- 2.5156 -1.0801 0.6404 C 0 0 0
- 2.1458 0.8074 -0.7854 C 0 0 0
- -1.9598 -0.0742 -0.0215 O 0 0 0
- 2.9900 0.0546 0.0089 C 0 0 0
- -3.2917 -0.2285 -0.0853 C 0 0 0
- 4.4020 0.4630 0.1829 N 0 3 0
- -4.2016 0.8654 0.4111 C 0 0 0
- -3.7610 -1.2446 -0.5406 O 0 0 0
- 4.8199 1.4626 -0.3735 O 0 0 0
- 5.1461 -0.2006 0.8826 O 0 5 0
- -5.6594 0.4395 0.2256 C 0 0 0
- -6.5832 1.5501 0.7295 C 0 0 0
- 0.9722 -2.4534 0.0000 H 0 0 0
- 0.1501 1.1846 0.0000 H 0 0 0
- -1.9461 -1.6660 0.0000 H 0 0 0
- -0.6677 -2.0564 0.0000 H 0 0 0
- 3.1924 -1.8390 0.0000 H 0 0 0
- 2.3709 1.7991 0.0000 H 0 0 0
- -3.3386 1.4032 0.0000 H 0 0 0
- -4.6170 1.7936 0.0000 H 0 0 0
- -6.5224 -0.0983 0.0000 H 0 0 0
- -5.2440 -0.4887 0.0000 H 0 0 0
- -5.8014 2.2004 0.0000 H 0 0 0
- -7.2335 2.3319 0.0000 H 0 0 0
- -7.3650 0.8998 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 15 16 1 0
- 6 8 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 11 23 1 0
- 11 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 1.9773 0.9251 0.4797 C 0 0 0
- 2.2698 -0.4935 0.6032 O 0 0 0
- 3.1443 1.5490 -0.3133 C 0 0 0
- 0.6740 1.1112 -0.2999 C 0 0 0
- 3.4029 -0.8186 -0.0340 C 0 0 0
- 4.2220 0.4415 -0.2379 C 0 0 0
- -0.4688 0.4178 0.4445 C 0 0 0
- 3.7195 -1.9300 -0.3867 O 0 0 0
- -1.7721 0.6038 -0.3351 C 0 0 0
- -2.9149 -0.0896 0.4093 C 0 0 0
- -4.2183 0.0964 -0.3703 C 0 0 0
- -5.3611 -0.5970 0.3741 C 0 0 0
- -6.6644 -0.4110 -0.4055 C 0 0 0
- 1.8049 1.9025 0.0000 H 0 0 0
- 3.9172 2.1716 0.0000 H 0 0 0
- 2.5966 2.3767 0.0000 H 0 0 0
- 1.0935 2.0107 0.0000 H 0 0 0
- -0.0650 1.7737 0.0000 H 0 0 0
- 5.0117 -0.1596 0.0000 H 0 0 0
- 4.8800 1.1845 0.0000 H 0 0 0
- -0.8882 -0.4817 0.0000 H 0 0 0
- 0.2702 -0.2447 0.0000 H 0 0 0
- -1.3527 1.5033 0.0000 H 0 0 0
- -2.5111 1.2663 0.0000 H 0 0 0
- -3.3343 -0.9891 0.0000 H 0 0 0
- -2.1759 -0.7521 0.0000 H 0 0 0
- -3.7989 0.9959 0.0000 H 0 0 0
- -4.9573 0.7589 0.0000 H 0 0 0
- -5.7805 -1.4965 0.0000 H 0 0 0
- -4.6221 -1.2595 0.0000 H 0 0 0
- -6.5242 0.5715 0.0000 H 0 0 0
- -7.6469 -0.2708 0.0000 H 0 0 0
- -6.8046 -1.3935 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 5 6 1 0
- 1 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.0284 0.0009 -0.3427 N 0 0 0
- 0.2469 -1.3380 -0.8808 C 0 0 0
- 0.9840 0.9007 -0.9113 C 0 0 0
- -1.3235 0.4198 -0.8953 C 0 0 0
- 1.2261 -2.0488 0.0176 C 0 0 0
- 1.2097 2.0590 0.0259 C 0 0 0
- -2.4291 -0.0124 0.0330 C 0 0 0
- 1.7272 -3.2400 -0.3452 O 0 0 0
- 1.5600 -1.5464 1.0645 O 0 0 0
- 1.9574 3.1029 -0.3651 O 0 0 0
- 0.7175 2.0481 1.1293 O 0 0 0
- -3.7109 0.1936 -0.3082 O 0 0 0
- -2.1618 -0.5443 1.0845 O 0 0 0
- -0.6858 -1.2688 0.0000 H 0 0 0
- -0.0747 -2.2162 0.0000 H 0 0 0
- 1.3656 0.0468 0.0000 H 0 0 0
- 1.9132 1.0070 0.0000 H 0 0 0
- -0.7893 1.1875 0.0000 H 0 0 0
- -1.9026 1.1542 0.0000 H 0 0 0
- 2.0899 -4.1021 0.0000 H 0 0 0
- 2.5020 3.8632 0.0000 H 0 0 0
- -4.6343 0.3420 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 2 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2978-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 41 1 V2000
- 1.0096 -0.6380 -0.0311 C 0 0 0
- -0.4708 -0.9196 -0.0381 C 0 0 0
- 1.8091 -1.1675 0.9642 C 0 0 0
- 1.5689 0.1454 -1.0236 C 0 0 0
- -1.1903 0.3116 0.0541 O 0 0 0
- 3.1673 -0.9091 0.9706 C 0 0 0
- 2.9267 0.4037 -1.0173 C 0 0 0
- -2.5042 -0.0022 0.0434 C 0 0 0
- 3.7256 -0.1212 -0.0184 C 0 0 0
- -3.4484 0.9921 0.1210 N 0 0 0
- -2.8752 -1.2464 -0.0402 N 0 0 0
- 5.1797 0.1554 -0.0116 N 0 3 0
- -3.0311 2.3885 0.2697 C 0 0 0
- -4.2929 -1.5789 -0.2006 C 0 0 0
- 5.6716 0.8496 -0.8831 O 0 0 0
- 5.8842 -0.3113 0.8656 O 0 5 0
- -3.4797 3.1881 -0.9552 C 0 0 0
- -3.6703 2.9806 1.5273 C 0 0 0
- -4.5051 -2.2711 -1.5484 C 0 0 0
- -4.7278 -2.5159 0.9281 C 0 0 0
- -1.2708 -1.2723 0.0000 H 0 0 0
- -0.2111 -1.7544 0.0000 H 0 0 0
- 1.6367 -2.0246 0.0000 H 0 0 0
- 1.0976 0.8817 0.0000 H 0 0 0
- 3.6399 -1.6446 0.0000 H 0 0 0
- 3.0975 1.2611 0.0000 H 0 0 0
- -4.2987 0.7889 0.0000 H 0 0 0
- -2.1622 2.4849 0.0000 H 0 0 0
- -4.8449 -0.9009 0.0000 H 0 0 0
- -2.7172 3.6159 0.0000 H 0 0 0
- -3.9075 3.9506 0.0000 H 0 0 0
- -4.2422 2.7603 0.0000 H 0 0 0
- -3.0762 3.6220 0.0000 H 0 0 0
- -4.3117 3.5747 0.0000 H 0 0 0
- -4.2644 2.3392 0.0000 H 0 0 0
- -5.3410 -2.0149 0.0000 H 0 0 0
- -4.7613 -3.1070 0.0000 H 0 0 0
- -3.6692 -2.5273 0.0000 H 0 0 0
- -5.5208 -2.1478 0.0000 H 0 0 0
- -5.0959 -3.3089 0.0000 H 0 0 0
- -3.9348 -2.8840 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 7 9 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 10 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.3400 0.1571 -0.0003 C 0 0 0
- -0.1369 -1.2293 0.0212 C 0 0 0
- 0.7613 1.0175 -0.0180 C 0 0 0
- -1.7084 0.7052 -0.0104 C 0 0 0
- 1.1533 -1.7378 0.0248 C 0 0 0
- -1.2005 -2.0725 0.0389 O 0 0 0
- 2.0428 0.4953 -0.0141 C 0 0 0
- -1.9026 2.0344 0.0961 O 0 0 0
- -2.6612 -0.0416 -0.1147 O 0 0 0
- 2.2361 -0.8824 0.0073 C 0 0 0
- 3.1471 1.3551 -0.0322 N 0 0 0
- 0.6181 2.0477 0.0000 H 0 0 0
- 1.3052 -2.7667 0.0000 H 0 0 0
- -2.0155 -2.7186 0.0000 H 0 0 0
- -2.0530 3.0636 0.0000 H 0 0 0
- 3.2015 -1.2695 0.0000 H 0 0 0
- 4.1108 0.9639 0.0000 H 0 0 0
- 3.0041 2.3853 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-8022-00-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 52 1 V2000
- -8.5654 -1.9340 0.0532 P 0 0 0
- -9.9944 -1.2493 -0.2318 O 0 0 0
- -8.2918 -1.9648 1.6394 O 0 0 0
- -8.5672 -3.4384 -0.5204 O 0 0 0
- -7.2259 -0.9496 -0.7892 S 0 0 0
- -9.8238 0.1567 -0.0422 C 0 0 0
- -9.4056 -2.6308 2.2378 C 0 0 0
- -7.2172 -3.9036 -0.4638 C 0 0 0
- -11.1524 0.8708 -0.2990 C 0 0 0
- -10.9359 2.6557 -0.0584 S 0 0 0
- -12.6190 3.2285 -0.4184 C 0 0 0
- -12.6813 4.7505 -0.2748 C 0 0 0
- 10.5976 -1.4342 -0.2472 P 0 0 0
- 8.6721 -0.5495 -0.3086 S 0 0 0
- 11.2237 -1.2554 1.2253 O 0 0 0
- 10.4791 -3.0022 -0.5931 O 0 0 0
- 11.4754 -0.7750 -1.2398 O 0 0 0
- 9.1153 1.1887 -0.0384 C 0 0 0
- 10.2481 -1.7395 2.1505 C 0 0 0
- 11.8116 -3.4897 -0.7623 C 0 0 0
- 7.8473 2.0449 -0.0428 C 0 0 0
- 8.2906 3.7831 0.2274 S 0 0 0
- 6.6429 4.5401 0.1748 C 0 0 0
- 6.7687 6.0503 0.3856 C 0 0 0
- -8.7183 -0.1196 0.0000 H 0 0 0
- -9.4128 1.2195 0.0000 H 0 0 0
- -9.9904 -1.6528 0.0000 H 0 0 0
- -10.3836 -3.2156 0.0000 H 0 0 0
- -8.8208 -3.6088 0.0000 H 0 0 0
- -7.5884 -4.9809 0.0000 H 0 0 0
- -6.1399 -4.2748 0.0000 H 0 0 0
- -6.8460 -2.8263 0.0000 H 0 0 0
- -12.2579 1.1470 0.0000 H 0 0 0
- -11.5634 -0.1920 0.0000 H 0 0 0
- -13.7547 3.3219 0.0000 H 0 0 0
- -12.8510 2.1129 0.0000 H 0 0 0
- -11.5427 4.7971 0.0000 H 0 0 0
- -12.7279 5.8891 0.0000 H 0 0 0
- -13.8199 4.7039 0.0000 H 0 0 0
- 10.1800 0.7826 0.0000 H 0 0 0
- 9.6407 2.1999 0.0000 H 0 0 0
- 9.7416 -0.7187 0.0000 H 0 0 0
- 9.2273 -2.2460 0.0000 H 0 0 0
- 10.7546 -2.7603 0.0000 H 0 0 0
- 11.4201 -4.5598 0.0000 H 0 0 0
- 12.8817 -3.8812 0.0000 H 0 0 0
- 12.2031 -2.4196 0.0000 H 0 0 0
- 6.7826 2.4511 0.0000 H 0 0 0
- 7.3219 1.0337 0.0000 H 0 0 0
- 5.5259 4.7653 0.0000 H 0 0 0
- 6.2901 3.4566 0.0000 H 0 0 0
- 7.9043 5.9557 0.0000 H 0 0 0
- 6.8633 7.1859 0.0000 H 0 0 0
- 5.6331 6.1449 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 13 14 1 0
- 13 15 1 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 12 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 19 44 1 0
- 20 45 1 0
- 20 46 1 0
- 20 47 1 0
- 21 48 1 0
- 21 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-218-08-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.4363 0.5582 0.0020 C 0 0 0
- -0.3808 -0.5884 0.0008 C 0 0 0
- 1.8894 0.3807 0.0014 C 0 0 0
- -0.1442 1.8383 -0.0021 C 0 0 0
- -1.8329 -0.4100 0.0009 C 0 0 0
- 0.1975 -1.8699 -0.0010 C 0 0 0
- 2.4152 -0.9323 -0.0001 C 0 0 0
- 2.7596 1.4745 0.0019 C 0 0 0
- -1.4864 2.0067 -0.0075 C 0 0 0
- -2.3635 0.9005 0.0025 C 0 0 0
- -2.7062 -1.5042 -0.0008 C 0 0 0
- 1.5395 -2.0391 -0.0018 C 0 0 0
- 3.8071 -1.1119 -0.0007 C 0 0 0
- 4.1082 1.2653 0.0009 C 0 0 0
- -3.6876 1.0764 0.0026 N 0 0 0
- -4.0531 -1.2561 -0.0010 C 0 0 0
- 4.6289 -0.0245 0.0002 C 0 0 0
- -4.5129 0.0563 0.0014 C 0 0 0
- 0.4786 2.6837 0.0000 H 0 0 0
- -0.4263 -2.7145 0.0000 H 0 0 0
- 2.3775 2.4525 0.0000 H 0 0 0
- -1.8834 2.9787 0.0000 H 0 0 0
- -2.3388 -2.4878 0.0000 H 0 0 0
- 1.9368 -3.0110 0.0000 H 0 0 0
- 4.2137 -2.0800 0.0000 H 0 0 0
- 4.7606 2.0880 0.0000 H 0 0 0
- -4.7359 -2.0537 0.0000 H 0 0 0
- 5.6698 -0.1624 0.0000 H 0 0 0
- -5.5475 0.2356 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14097-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- 3.6162 0.0859 0.0703 C 0 0 0
- 4.4310 -1.0418 0.2183 C 0 0 0
- 4.1577 1.2678 -0.4423 C 0 0 0
- 2.2965 0.0302 0.4198 N 0 0 0
- 5.7619 -0.9787 -0.1425 C 0 0 0
- 3.7703 -2.5158 0.8545 Cl 0 0 0
- 5.4892 1.3149 -0.7983 C 0 0 0
- 1.5482 1.0719 0.2819 N 0 0 0
- 6.2896 0.1957 -0.6492 C 0 0 0
- 0.2279 1.0162 0.6316 C 0 0 0
- 7.7178 0.2555 -1.0334 N 0 3 0
- -0.5857 2.1426 0.4837 C 0 0 0
- -0.3162 -0.1695 1.1334 C 0 0 0
- 8.1857 1.2877 -1.4798 O 0 0 0
- 8.4252 -0.7274 -0.9032 O 0 5 0
- -1.9171 2.0787 0.8382 C 0 0 0
- -1.6490 -0.2183 1.4836 C 0 0 0
- -2.4476 0.9030 1.3392 C 0 0 0
- -3.9031 0.8416 1.7247 C 0 0 0
- -4.7325 0.4022 0.5164 C 0 0 0
- -6.1514 0.3423 0.8922 N 0 0 0
- -6.8877 -0.0832 -0.3057 C 0 0 0
- -8.3810 -0.1669 0.0166 C 0 0 0
- -9.1173 -0.5924 -1.1812 N 0 3 0
- -10.5511 -0.6728 -0.8718 C 0 0 0
- -8.9030 0.3819 -2.2596 C 0 0 0
- -8.6342 -1.9117 -1.6101 C 0 0 0
- 3.6032 2.0991 0.0000 H 0 0 0
- 6.3244 -1.8046 0.0000 H 0 0 0
- 5.9304 2.2115 0.0000 H 0 0 0
- -0.1523 3.0430 0.0000 H 0 0 0
- 0.2386 -1.0006 0.0000 H 0 0 0
- -2.4792 2.9049 0.0000 H 0 0 0
- -2.0905 -1.1147 0.0000 H 0 0 0
- -3.5764 1.7859 0.0000 H 0 0 0
- -4.6620 1.4917 0.0000 H 0 0 0
- -5.0592 -0.5422 0.0000 H 0 0 0
- -3.9736 -0.2479 0.0000 H 0 0 0
- -6.4305 1.3018 0.0000 H 0 0 0
- -7.1941 -1.0344 0.0000 H 0 0 0
- -6.1102 -0.7109 0.0000 H 0 0 0
- -8.0746 0.7843 0.0000 H 0 0 0
- -9.1585 0.4608 0.0000 H 0 0 0
- -10.6070 0.3249 0.0000 H 0 0 0
- -11.5488 -0.7287 0.0000 H 0 0 0
- -10.4952 -1.6705 0.0000 H 0 0 0
- -7.9271 0.1672 0.0000 H 0 0 0
- -8.6883 1.3578 0.0000 H 0 0 0
- -9.8789 0.5966 0.0000 H 0 0 0
- -9.5725 -2.2553 0.0000 H 0 0 0
- -8.2906 -2.8500 0.0000 H 0 0 0
- -7.6959 -1.5681 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 24 27 1 0
- 7 9 2 0
- 17 18 1 0
- 3 28 1 0
- 5 29 1 0
- 7 30 1 0
- 12 31 1 0
- 13 32 1 0
- 16 33 1 0
- 17 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 23 42 1 0
- 23 43 1 0
- 25 44 1 0
- 25 45 1 0
- 25 46 1 0
- 26 47 1 0
- 26 48 1 0
- 26 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5522-43-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.2981 -0.4222 -0.0123 C 0 0 0
- -1.4770 0.1367 0.0115 C 0 0 0
- 0.9192 0.4107 0.0053 C 0 0 0
- -0.1645 -1.8896 -0.0508 C 0 0 0
- -1.6018 1.6058 0.0562 C 0 0 0
- -2.6984 -0.6882 -0.0053 C 0 0 0
- 2.2201 -0.2806 -0.0225 C 0 0 0
- 0.8134 1.7176 0.0440 C 0 0 0
- -1.3804 -2.7202 -0.0633 C 0 0 0
- 1.0358 -2.4199 -0.0735 C 0 0 0
- -0.5222 2.3507 0.0719 C 0 0 0
- -2.9605 2.1752 0.0821 C 0 0 0
- -2.5727 -2.1547 -0.0506 C 0 0 0
- -3.8687 -0.0948 0.0200 C 0 0 0
- 2.2510 -1.5956 -0.0615 C 0 0 0
- 3.3732 0.4307 -0.0085 N 0 3 0
- -3.9990 1.3672 0.0646 C 0 0 0
- 3.5277 1.3557 -0.7857 O 0 0 0
- 4.2554 0.1451 0.7813 O 0 5 0
- 1.6843 2.3192 0.0000 H 0 0 0
- -1.2977 -3.7755 0.0000 H 0 0 0
- 1.1309 -3.4741 0.0000 H 0 0 0
- -0.6075 3.4057 0.0000 H 0 0 0
- -3.1000 3.2245 0.0000 H 0 0 0
- -3.4423 -2.7582 0.0000 H 0 0 0
- -4.7452 -0.6883 0.0000 H 0 0 0
- 3.1920 -2.0803 0.0000 H 0 0 0
- -4.9696 1.7895 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 2 0
- 16 19 1 0
- 8 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77-81-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.1990 0.0255 -0.1148 P 0 0 0
- -1.1240 0.7158 0.4896 O 0 0 0
- 1.5571 0.6270 0.6766 N 0 0 0
- 0.1065 -1.7704 0.1230 C 0 0 0
- 0.2964 0.3274 -1.5604 O 0 0 0
- -2.2368 0.1669 -0.2192 C 0 0 0
- 2.7226 -0.0397 0.0809 C 0 0 0
- 1.6571 2.0490 0.3219 C 0 0 0
- 0.0486 -2.8951 0.2719 N 0 0 0
- -3.5330 0.7843 0.3095 C 0 0 0
- -2.8984 -0.6730 0.0000 H 0 0 0
- -1.5638 -0.6638 0.0000 H 0 0 0
- 2.1917 -0.9677 0.0000 H 0 0 0
- 3.6506 -0.5706 0.0000 H 0 0 0
- 3.2535 0.8883 0.0000 H 0 0 0
- 2.7236 1.9740 0.0000 H 0 0 0
- 1.7321 3.1155 0.0000 H 0 0 0
- 0.5906 2.1240 0.0000 H 0 0 0
- -3.0732 1.7495 0.0000 H 0 0 0
- -4.4982 1.2441 0.0000 H 0 0 0
- -3.9928 -0.1809 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 3 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2950-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 77 1 V2000
- -5.0836 -2.2972 -0.0057 C 0 0 0
- -4.2940 -3.6077 -0.0151 C 0 0 0
- -5.9708 -2.2274 -1.2502 C 0 0 0
- -5.9583 -2.2379 1.2482 C 0 0 0
- -4.1259 -1.1337 -0.0056 C 0 0 0
- -4.6143 0.1663 0.0004 C 0 0 0
- -2.7666 -1.3614 -0.0056 C 0 0 0
- -5.9551 0.3858 0.0065 O 0 0 0
- -3.7365 1.2429 0.0005 C 0 0 0
- -1.8794 -0.2815 -0.0055 C 0 0 0
- -4.2731 2.6511 0.0069 C 0 0 0
- -2.3760 1.0253 -0.0057 C 0 0 0
- -0.4253 -0.5196 -0.0053 C 0 0 0
- -3.1067 3.6413 0.0055 C 0 0 0
- -5.1334 2.8747 -1.2383 C 0 0 0
- -5.1239 2.8670 1.2601 C 0 0 0
- 0.4253 0.5196 -0.0052 C 0 0 0
- 1.8794 0.2815 -0.0049 C 0 0 0
- 2.7666 1.3614 -0.0048 C 0 0 0
- 2.3759 -1.0253 0.0011 C 0 0 0
- 4.1259 1.1337 -0.0040 C 0 0 0
- 3.7365 -1.2429 0.0019 C 0 0 0
- 5.0836 2.2972 -0.0034 C 0 0 0
- 4.6143 -0.1663 -0.0034 C 0 0 0
- 4.2731 -2.6511 0.0089 C 0 0 0
- 4.2940 3.6077 -0.0042 C 0 0 0
- 5.9636 2.2327 1.2465 C 0 0 0
- 5.9655 2.2325 -1.2520 C 0 0 0
- 5.9551 -0.3858 -0.0026 O 0 0 0
- 3.1067 -3.6413 0.0138 C 0 0 0
- 5.1286 -2.8771 -1.2393 C 0 0 0
- 5.1287 -2.8646 1.2591 C 0 0 0
- -5.1861 -4.1452 0.0000 H 0 0 0
- -3.7565 -4.4998 0.0000 H 0 0 0
- -3.4019 -3.0702 0.0000 H 0 0 0
- -5.8891 -1.1891 0.0000 H 0 0 0
- -7.0091 -2.1457 0.0000 H 0 0 0
- -6.0525 -3.2657 0.0000 H 0 0 0
- -5.8879 -1.1987 0.0000 H 0 0 0
- -6.9975 -2.1675 0.0000 H 0 0 0
- -6.0287 -3.2771 0.0000 H 0 0 0
- -2.4011 -2.3367 0.0000 H 0 0 0
- -6.9830 0.5541 0.0000 H 0 0 0
- -1.7186 1.8331 0.0000 H 0 0 0
- -0.0571 -1.4939 0.0000 H 0 0 0
- -2.4326 2.8473 0.0000 H 0 0 0
- -2.3127 4.3154 0.0000 H 0 0 0
- -3.7808 4.4353 0.0000 H 0 0 0
- -4.8714 3.8827 0.0000 H 0 0 0
- -6.1414 3.1367 0.0000 H 0 0 0
- -5.3954 1.8667 0.0000 H 0 0 0
- -4.8677 3.8765 0.0000 H 0 0 0
- -6.1334 3.1232 0.0000 H 0 0 0
- -5.3801 1.8575 0.0000 H 0 0 0
- 0.0571 1.4939 0.0000 H 0 0 0
- 2.4011 2.3367 0.0000 H 0 0 0
- 1.7184 -1.8331 0.0000 H 0 0 0
- 5.1861 4.1452 0.0000 H 0 0 0
- 3.7565 4.4998 0.0000 H 0 0 0
- 3.4019 3.0702 0.0000 H 0 0 0
- 5.8875 1.1939 0.0000 H 0 0 0
- 7.0024 2.1566 0.0000 H 0 0 0
- 6.0397 3.2715 0.0000 H 0 0 0
- 5.8893 1.1938 0.0000 H 0 0 0
- 7.0042 2.1563 0.0000 H 0 0 0
- 6.0417 3.2712 0.0000 H 0 0 0
- 6.9830 -0.5541 0.0000 H 0 0 0
- 2.4326 -2.8473 0.0000 H 0 0 0
- 2.3127 -4.3154 0.0000 H 0 0 0
- 3.7808 -4.4353 0.0000 H 0 0 0
- 4.8626 -3.8841 0.0000 H 0 0 0
- 6.1356 -3.1431 0.0000 H 0 0 0
- 5.3946 -1.8701 0.0000 H 0 0 0
- 4.8765 -3.8752 0.0000 H 0 0 0
- 6.1393 -3.1168 0.0000 H 0 0 0
- 5.3809 -1.8540 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 1 0
- 12 9 2 0
- 13 10 1 0
- 14 11 1 0
- 15 11 1 0
- 16 11 1 0
- 17 13 2 0
- 18 17 1 0
- 19 18 2 0
- 20 18 1 0
- 21 19 1 0
- 22 20 2 0
- 23 21 1 0
- 24 21 2 0
- 25 22 1 0
- 26 23 1 0
- 27 23 1 0
- 28 23 1 0
- 29 24 1 0
- 30 25 1 0
- 31 25 1 0
- 32 25 1 0
- 10 12 1 0
- 22 24 1 0
- 2 33 1 0
- 2 34 1 0
- 2 35 1 0
- 3 36 1 0
- 3 37 1 0
- 3 38 1 0
- 4 39 1 0
- 4 40 1 0
- 4 41 1 0
- 7 42 1 0
- 8 43 1 0
- 12 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 14 48 1 0
- 15 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 16 54 1 0
- 17 55 1 0
- 19 56 1 0
- 20 57 1 0
- 26 58 1 0
- 26 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
- 29 67 1 0
- 30 68 1 0
- 30 69 1 0
- 30 70 1 0
- 31 71 1 0
- 31 72 1 0
- 31 73 1 0
- 32 74 1 0
- 32 75 1 0
- 32 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-634-93-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.1849 -0.0001 0.0011 C 0 0 0
- -0.4889 -1.2024 0.0008 C 0 0 0
- -0.4886 1.2026 0.0008 C 0 0 0
- -2.5839 0.0000 -0.0042 N 0 0 0
- 0.8936 -1.1991 0.0003 C 0 0 0
- -1.3543 -2.7073 0.0006 Cl 0 0 0
- 0.8934 1.1992 0.0003 C 0 0 0
- -1.3539 2.7076 0.0006 Cl 0 0 0
- 1.5839 -0.0002 0.0000 C 0 0 0
- 3.3199 -0.0002 -0.0007 Cl 0 0 0
- -3.1049 0.9025 0.0000 H 0 0 0
- -3.1050 -0.9025 0.0000 H 0 0 0
- 1.4163 -2.1007 0.0000 H 0 0 0
- 1.4161 2.1007 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-367-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 8 1 V2000
- -1.9991 -0.9937 0.0132 C 0 0 0
- -2.9521 0.0758 -0.4549 C 0 0 0
- -0.9756 -0.6835 0.6073 O 0 0 0
- -2.2515 -2.1723 -0.1964 O 0 0 0
- -2.3067 1.7062 0.0096 S 0 0 0
- 8.0492 0.0877 -0.0686 Na 0 3 0
- -3.8044 0.5778 0.0000 H 0 0 0
- -3.5799 -0.6886 0.0000 H 0 0 0
- -1.9426 2.6259 0.0000 H 0 0 0
- -2.4586 -3.1396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 7 1 0
- 2 8 1 0
- 5 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.3093 -0.1171 0.0123 C 0 0 0
- 0.0546 0.3238 0.2321 O 0 0 0
- 2.4514 0.7845 0.2177 C 0 0 0
- 1.4963 -1.2617 -0.3510 O 0 0 0
- -1.0740 -0.5670 0.0291 C 0 0 0
- 3.6902 0.3492 0.0007 C 0 0 0
- -2.3735 0.1758 0.3459 C 0 0 0
- -2.5070 1.3870 -0.5794 C 0 0 0
- -3.5626 -0.7629 0.1320 C 0 0 0
- 2.2807 1.8083 0.0000 H 0 0 0
- -1.6997 -1.3951 0.0000 H 0 0 0
- -0.3324 -1.2931 0.0000 H 0 0 0
- 3.8818 -0.6708 0.0000 H 0 0 0
- 4.4778 1.0252 0.0000 H 0 0 0
- -1.5057 0.7452 0.0000 H 0 0 0
- -1.4754 1.5007 0.0000 H 0 0 0
- -2.6207 2.4186 0.0000 H 0 0 0
- -3.5386 1.2733 0.0000 H 0 0 0
- -4.2057 0.0517 0.0000 H 0 0 0
- -4.3772 -1.4060 0.0000 H 0 0 0
- -2.9195 -1.5775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 7 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5493-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- 0.6933 -1.3361 -0.3234 C 0 0 0
- -0.6933 -1.3361 0.3234 C 0 0 0
- 1.4488 -0.1057 0.1082 C 0 0 0
- 1.4604 -2.5854 0.1147 C 0 0 0
- -1.4488 -0.1057 -0.1082 C 0 0 0
- -1.4604 -2.5854 -0.1147 C 0 0 0
- 2.6967 0.1067 -0.3385 O 0 0 0
- 0.9313 0.6896 0.8562 O 0 0 0
- 0.6933 -3.8346 -0.3234 C 0 0 0
- -2.6967 0.1067 0.3385 O 0 0 0
- -0.9313 0.6896 -0.8562 O 0 0 0
- -0.6933 -3.8346 0.3234 C 0 0 0
- 3.4246 1.2923 0.0773 C 0 0 0
- -3.4246 1.2923 -0.0773 C 0 0 0
- 4.8112 1.2923 -0.5694 C 0 0 0
- -4.8112 1.2923 0.5694 C 0 0 0
- 5.5783 2.5415 -0.1313 C 0 0 0
- 5.8122 1.2571 0.4498 O 0 0 0
- -5.5783 2.5415 0.1313 C 0 0 0
- -5.8122 1.2571 -0.4498 O 0 0 0
- 0.1856 -0.4285 0.0000 H 0 0 0
- -0.1856 -0.4285 0.0000 H 0 0 0
- 2.2510 -3.2610 0.0000 H 0 0 0
- 2.2510 -1.9098 0.0000 H 0 0 0
- -2.2510 -1.9098 0.0000 H 0 0 0
- -2.2510 -3.2610 0.0000 H 0 0 0
- 0.5035 -4.8571 0.0000 H 0 0 0
- 1.6639 -4.2079 0.0000 H 0 0 0
- -1.6639 -4.2079 0.0000 H 0 0 0
- -0.5035 -4.8571 0.0000 H 0 0 0
- 3.6144 2.3148 0.0000 H 0 0 0
- 2.4539 1.6655 0.0000 H 0 0 0
- -2.4539 1.6655 0.0000 H 0 0 0
- -3.6144 2.3148 0.0000 H 0 0 0
- 4.7929 0.2525 0.0000 H 0 0 0
- -4.7929 0.2525 0.0000 H 0 0 0
- 6.5101 3.0033 0.0000 H 0 0 0
- 4.8770 3.3094 0.0000 H 0 0 0
- -4.8770 3.3094 0.0000 H 0 0 0
- -6.5101 3.0033 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 9 12 1 0
- 17 18 1 0
- 19 20 1 0
- 1 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 6 25 1 0
- 6 26 1 0
- 9 27 1 0
- 9 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 19 39 1 0
- 19 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-159092-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4492 -0.2000 0.0006 C 0 0 0
- -0.8843 0.4087 -0.0084 C 0 0 0
- 1.5813 0.6457 -0.0015 C 0 0 0
- 0.6205 -1.5855 0.0168 C 0 0 0
- -0.9868 1.8184 -0.0188 C 0 0 0
- -2.0431 -0.3692 -0.0074 C 0 0 0
- 1.4118 2.0499 -0.0116 C 0 0 0
- 2.8615 0.0740 0.0070 C 0 0 0
- 1.8808 -2.1116 0.0251 C 0 0 0
- 0.1854 2.6099 -0.0208 C 0 0 0
- -2.2570 2.4111 -0.0274 C 0 0 0
- -3.2666 0.2387 -0.0164 C 0 0 0
- 2.6068 2.9235 -0.0132 N 0 3 0
- 2.9968 -1.2832 0.0171 C 0 0 0
- 2.0602 -3.5809 0.0423 N 0 3 0
- -3.3715 1.6241 -0.0257 C 0 0 0
- -4.4944 -0.5881 -0.0153 N 0 3 0
- 2.6793 3.8576 0.7650 O 0 0 0
- 3.5175 2.7081 -0.7927 O 0 5 0
- 3.1811 -4.0575 0.0499 O 0 0 0
- 1.0870 -4.3132 0.0489 O 0 5 0
- -5.5887 -0.0534 -0.0233 O 0 0 0
- -4.4103 -1.8032 -0.0064 O 0 5 0
- -0.2098 -2.2157 0.0000 H 0 0 0
- -1.9754 -1.4094 0.0000 H 0 0 0
- 3.7068 0.6840 0.0000 H 0 0 0
- 0.0992 3.6487 0.0000 H 0 0 0
- -2.3498 3.4494 0.0000 H 0 0 0
- 3.9501 -1.7049 0.0000 H 0 0 0
- -4.3145 2.0683 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 2 0
- 13 19 1 0
- 15 20 2 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 7 10 2 0
- 9 14 1 0
- 12 16 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2855-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 0.9997 -0.4378 -0.0583 C 0 0 0
- -0.1579 -1.3109 0.3833 C 0 0 0
- 0.7805 1.0237 0.3408 C 0 0 0
- 2.2786 -0.9300 0.6494 C 0 0 0
- 1.2359 -0.5304 -1.5663 C 0 0 0
- -1.5462 -0.7754 0.0961 C 0 0 0
- -0.5559 1.5016 -0.2337 C 0 0 0
- 3.4173 -0.0983 0.2373 N 0 0 0
- -1.6769 0.7073 0.4367 C 0 0 0
- -1.9438 -1.0057 -1.3644 C 0 0 0
- -2.5520 -1.5479 0.9767 C 0 0 0
- -0.7273 2.9319 0.0539 N 0 0 0
- -0.7158 -2.2134 0.0000 H 0 0 0
- 0.6263 -2.0256 0.0000 H 0 0 0
- 1.8414 1.0075 0.0000 H 0 0 0
- 0.9698 2.0677 0.0000 H 0 0 0
- 1.7166 -1.8299 0.0000 H 0 0 0
- 3.0556 -1.6525 0.0000 H 0 0 0
- 0.8486 -1.5182 0.0000 H 0 0 0
- 2.2237 -0.9177 0.0000 H 0 0 0
- 1.6232 0.4574 0.0000 H 0 0 0
- -0.4115 0.4505 0.0000 H 0 0 0
- 4.3877 -0.5274 0.0000 H 0 0 0
- 3.3037 0.9566 0.0000 H 0 0 0
- -2.1291 1.6671 0.0000 H 0 0 0
- -2.7011 0.4303 0.0000 H 0 0 0
- -2.4756 -0.0876 0.0000 H 0 0 0
- -2.8619 -1.5375 0.0000 H 0 0 0
- -1.4120 -1.9238 0.0000 H 0 0 0
- -3.1983 -0.7064 0.0000 H 0 0 0
- -3.3935 -2.1942 0.0000 H 0 0 0
- -1.9057 -2.3894 0.0000 H 0 0 0
- 0.1219 3.5680 0.0000 H 0 0 0
- -1.7028 3.3493 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 9 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-43192-03-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.7746 -0.0781 -0.0036 C 0 0 0
- -0.3610 -0.8621 0.0554 C 0 0 0
- 0.6633 1.2974 -0.0898 C 0 0 0
- 2.1122 -0.7107 0.0316 N 0 3 0
- -1.6158 -0.2672 0.0281 C 0 0 0
- -0.5846 1.8929 -0.1177 C 0 0 0
- 1.9046 2.1495 -0.1541 C 0 0 0
- 2.4854 -1.3983 -0.9019 O 0 0 0
- 2.8397 -0.5437 0.9941 O 0 5 0
- -1.7240 1.1151 -0.0586 C 0 0 0
- -2.7663 -1.0571 0.0872 N 0 0 0
- -4.0447 -0.4490 0.0592 O 0 0 0
- -0.2772 -1.8972 0.0000 H 0 0 0
- -0.6643 2.9283 0.0000 H 0 0 0
- 2.4923 1.2933 0.0000 H 0 0 0
- 2.7608 2.7372 0.0000 H 0 0 0
- 1.3169 3.0057 0.0000 H 0 0 0
- -2.6605 1.5638 0.0000 H 0 0 0
- -2.6845 -2.0923 0.0000 H 0 0 0
- -4.9825 -0.0029 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 1 0
- 6 10 2 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-29082-74-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.3619 0.0011 -0.2888 C 0 0 0
- 0.3343 -1.2069 -0.2151 C 0 0 0
- 0.3358 1.2085 -0.2119 C 0 0 0
- -1.8304 0.0021 -0.4535 C 0 0 0
- 1.7083 -1.2015 -0.0668 C 0 0 0
- -0.5244 -2.7128 -0.3091 Cl 0 0 0
- 1.7094 1.2012 -0.0637 C 0 0 0
- -0.5212 2.7155 -0.3031 Cl 0 0 0
- -2.6197 -0.0017 0.6171 C 0 0 0
- -2.5254 0.0082 -2.0443 Cl 0 0 0
- 2.3947 -0.0008 0.0088 C 0 0 0
- 2.5756 -2.7024 0.0256 Cl 0 0 0
- 2.5783 2.7010 0.0320 Cl 0 0 0
- -4.3449 -0.0005 0.4236 Cl 0 0 0
- -1.9247 -0.0078 2.2079 Cl 0 0 0
- 4.1206 -0.0019 0.1957 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3025-52-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- -4.1144 -0.0613 0.0342 C 0 0 0
- -3.5587 -1.2272 0.5527 C 0 0 0
- -3.2904 0.9633 -0.4232 C 0 0 0
- -5.4982 0.0784 -0.0325 N 0 0 0
- -2.1912 -1.3714 0.6151 C 0 0 0
- -1.9223 0.8268 -0.3642 C 0 0 0
- -6.1893 -0.0786 -1.3147 C 0 0 0
- -6.2631 0.3822 1.1795 C 0 0 0
- -1.3597 -0.3440 0.1565 C 0 0 0
- -6.3509 -1.5674 -1.6280 C 0 0 0
- -6.1500 1.8755 1.4930 C 0 0 0
- -0.0038 -0.4831 0.2167 N 0 0 0
- 0.7613 0.4653 -0.2067 N 0 0 0
- 2.1200 0.3258 -0.1464 C 0 0 0
- 2.9522 1.3512 -0.6042 C 0 0 0
- 2.6835 -0.8401 0.3784 C 0 0 0
- 4.3216 1.2035 -0.5402 C 0 0 0
- 4.0551 -0.9737 0.4360 C 0 0 0
- 4.8726 0.0433 -0.0243 C 0 0 0
- 6.3437 -0.1078 0.0405 N 0 3 0
- 6.8317 -1.1275 0.4939 O 0 0 0
- 7.0661 0.7874 -0.3597 O 0 5 0
- -4.1306 -2.0359 0.0000 H 0 0 0
- -3.6734 1.8767 0.0000 H 0 0 0
- -1.8122 -2.2865 0.0000 H 0 0 0
- -1.3540 1.6380 0.0000 H 0 0 0
- -6.3009 0.9056 0.0000 H 0 0 0
- -7.1798 -0.0810 0.0000 H 0 0 0
- -7.2382 0.5560 0.0000 H 0 0 0
- -6.5342 -0.5704 0.0000 H 0 0 0
- -7.3356 -1.4605 0.0000 H 0 0 0
- -6.4578 -2.5521 0.0000 H 0 0 0
- -5.3662 -1.6743 0.0000 H 0 0 0
- -5.1624 1.8007 0.0000 H 0 0 0
- -6.0752 2.8631 0.0000 H 0 0 0
- -7.1376 1.9503 0.0000 H 0 0 0
- 2.5749 2.2670 0.0000 H 0 0 0
- 2.1170 -1.6526 0.0000 H 0 0 0
- 4.8950 2.0111 0.0000 H 0 0 0
- 4.4393 -1.8866 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 6 9 1 0
- 18 19 2 0
- 2 23 1 0
- 3 24 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 11 35 1 0
- 11 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120812-48-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.1170 -0.9188 -0.0168 C 0 0 0
- -0.9372 0.0223 0.0011 C 0 0 0
- 1.4624 -0.4976 -0.0119 C 0 0 0
- -0.1853 -2.2997 -0.0340 C 0 0 0
- -0.6701 1.4066 0.0234 C 0 0 0
- -2.2750 -0.4335 -0.0038 C 0 0 0
- 1.7753 0.9417 0.0121 C 0 0 0
- 2.4774 -1.4484 -0.0294 C 0 0 0
- -1.5364 -2.7231 -0.0326 C 0 0 0
- 0.8608 -3.2287 -0.0516 C 0 0 0
- 0.7249 1.8796 0.0290 C 0 0 0
- -1.7290 2.3078 0.0403 C 0 0 0
- -3.3163 0.5014 0.0141 C 0 0 0
- -2.5436 -1.8235 -0.0272 C 0 0 0
- 3.0972 1.3867 0.0178 C 0 0 0
- 2.1699 -2.7978 -0.0515 C 0 0 0
- 3.8929 -1.0153 -0.0249 N 0 3 0
- 1.0180 3.2431 0.0513 C 0 0 0
- -3.0358 1.8502 0.0353 C 0 0 0
- -4.7229 0.0399 0.0087 N 0 3 0
- 3.3652 2.7377 0.0409 C 0 0 0
- 4.4728 -0.8180 -1.0778 O 0 0 0
- 4.4778 -0.8561 1.0315 O 0 5 0
- 2.3304 3.6617 0.0567 C 0 0 0
- -5.5248 0.5394 -0.7601 O 0 0 0
- -5.0783 -0.8392 0.7731 O 0 5 0
- -1.7572 -3.7456 0.0000 H 0 0 0
- 0.6488 -4.2530 0.0000 H 0 0 0
- -1.5375 3.3362 0.0000 H 0 0 0
- -3.5347 -2.1579 0.0000 H 0 0 0
- 3.8830 0.6962 0.0000 H 0 0 0
- 2.9435 -3.5019 0.0000 H 0 0 0
- 0.2433 3.9460 0.0000 H 0 0 0
- -3.8226 2.5396 0.0000 H 0 0 0
- 4.3571 3.0698 0.0000 H 0 0 0
- 2.5485 4.6847 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 15 21 2 0
- 17 22 2 0
- 17 23 1 0
- 18 24 2 0
- 20 25 2 0
- 20 26 1 0
- 7 11 2 0
- 9 14 2 0
- 10 16 1 0
- 13 19 2 0
- 21 24 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-627-72-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 1.1552 0.0068 0.1005 C 0 0 0
- -0.1204 1.2793 0.3109 S 0 0 0
- 2.5389 0.6419 0.2517 C 0 0 0
- -1.5687 0.2996 0.0933 C 0 0 0
- 3.5986 -0.4152 0.0769 C 0 0 0
- 2.7136 1.6838 -0.7689 N 0 0 0
- -2.7646 0.8603 0.1715 C 0 0 0
- -1.4266 -1.4013 -0.2237 Cl 0 0 0
- 4.0469 -0.6454 -1.0212 O 0 0 0
- 4.0444 -1.1011 1.1412 O 0 0 0
- -4.1915 -0.1049 -0.0429 Cl 0 0 0
- 0.2662 -0.6944 0.0000 H 0 0 0
- 1.7461 -0.9590 0.0000 H 0 0 0
- 3.6171 0.9876 0.0000 H 0 0 0
- 3.7743 2.0800 0.0000 H 0 0 0
- 1.8402 2.4043 0.0000 H 0 0 0
- -2.8530 1.9891 0.0000 H 0 0 0
- 4.6614 -2.0504 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 2 0
- 10 5 1 0
- 11 7 1 0
- 1 12 1 0
- 1 13 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92118-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 2.4445 0.1650 0.2176 P 0 0 0
- 1.5591 -0.8769 1.4234 C 0 0 0
- 2.8168 -0.7133 -1.0794 O 0 0 0
- 1.5043 1.3965 -0.2201 O 0 0 0
- 3.6854 0.6862 0.8332 O 0 0 0
- 0.3308 -1.3928 0.8140 N 0 0 0
- 2.4526 -2.0472 1.8392 C 0 0 0
- 3.5059 0.1543 -1.9818 C 0 0 0
- 1.6588 2.4087 0.7768 C 0 0 0
- -0.8168 -0.6934 0.9151 C 0 0 0
- 3.7851 -0.5883 -3.2900 C 0 0 0
- 0.8812 3.6585 0.3593 C 0 0 0
- -1.9468 -1.1680 0.3545 N 0 0 0
- -0.8328 0.3648 1.5117 O 0 0 0
- -3.1943 -0.4078 0.4644 C 0 0 0
- -1.9299 -2.2916 -0.2790 N 0 0 0
- -3.3131 0.5516 -0.7214 C 0 0 0
- -2.9511 -2.7206 -0.7856 O 0 0 0
- -4.8484 1.4872 -0.5861 Cl 0 0 0
- 0.9924 -0.1030 0.0000 H 0 0 0
- 0.2591 -2.3493 0.0000 H 0 0 0
- 1.6902 -2.6293 0.0000 H 0 0 0
- 3.0347 -2.8096 0.0000 H 0 0 0
- 3.2150 -1.4651 0.0000 H 0 0 0
- 4.3288 0.6471 0.0000 H 0 0 0
- 2.8737 0.8757 0.0000 H 0 0 0
- 2.5270 2.0010 0.0000 H 0 0 0
- 2.2961 3.1256 0.0000 H 0 0 0
- 2.8873 -0.9259 0.0000 H 0 0 0
- 4.1227 -1.4861 0.0000 H 0 0 0
- 4.6829 -0.2507 0.0000 H 0 0 0
- 1.6956 4.1652 0.0000 H 0 0 0
- 0.3745 4.4729 0.0000 H 0 0 0
- 0.0668 3.1518 0.0000 H 0 0 0
- -4.1487 -0.3118 0.0000 H 0 0 0
- -3.4995 -1.3172 0.0000 H 0 0 0
- -2.3587 0.4556 0.0000 H 0 0 0
- -3.0079 1.4610 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 1 0
- 2 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 11 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 12 34 1 0
- 15 35 1 0
- 15 36 1 0
- 17 37 1 0
- 17 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-481-72-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.8302 0.7753 0.2414 C 0 0 0
- -0.5943 -0.6130 0.2048 C 0 0 0
- 0.3141 1.7097 0.3116 C 0 0 0
- -2.1338 1.2549 0.2054 C 0 0 0
- 0.7908 -1.1209 0.2373 C 0 0 0
- -1.6743 -1.4957 0.1377 C 0 0 0
- 1.6760 1.2026 0.0369 C 0 0 0
- 0.1375 2.8791 0.5912 O 0 0 0
- -3.1964 0.3672 0.1335 C 0 0 0
- 1.9079 -0.1860 0.0013 C 0 0 0
- 1.0093 -2.2971 0.4558 O 0 0 0
- -2.9733 -0.9938 0.1072 C 0 0 0
- -1.4596 -2.8341 0.1021 O 0 0 0
- 2.7274 2.0840 -0.1858 C 0 0 0
- -4.6080 0.8935 0.0943 C 0 0 0
- 3.1940 -0.6653 -0.2582 C 0 0 0
- 3.9985 1.5945 -0.4422 C 0 0 0
- -5.2418 0.4674 -1.1135 O 0 0 0
- 4.2330 0.2352 -0.4786 C 0 0 0
- 3.4293 -2.0001 -0.2958 O 0 0 0
- -2.3109 2.2762 0.0000 H 0 0 0
- -3.7778 -1.6474 0.0000 H 0 0 0
- -1.2954 -3.8575 0.0000 H 0 0 0
- 2.5571 3.1064 0.0000 H 0 0 0
- -4.0537 1.7693 0.0000 H 0 0 0
- -5.3510 1.6162 0.0000 H 0 0 0
- 4.7999 2.2519 0.0000 H 0 0 0
- -6.1020 -0.1109 0.0000 H 0 0 0
- 5.2091 -0.1133 0.0000 H 0 0 0
- 3.6092 -3.0209 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 7 10 2 0
- 9 12 2 0
- 17 19 1 0
- 4 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112309-61-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.4405 -0.9854 -0.2453 C 0 0 0
- -0.5270 -0.0888 -0.0654 C 0 0 0
- 1.7328 -0.2157 -0.3871 C 0 0 0
- 0.2784 -2.4829 -0.2921 C 0 0 0
- 0.0475 1.2603 -0.0780 C 0 0 0
- -2.2091 -0.4596 0.1508 Cl 0 0 0
- 1.3784 1.1906 -0.2673 O 0 0 0
- 2.6203 -0.5754 0.6736 O 0 0 0
- -0.5844 2.2890 0.0611 O 0 0 0
- 1.8154 -1.3003 0.0000 H 0 0 0
- -0.8030 -2.3658 0.0000 H 0 0 0
- 0.1613 -3.5643 0.0000 H 0 0 0
- 1.3598 -2.6000 0.0000 H 0 0 0
- 3.6284 -0.9840 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 2 0
- 5 7 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-216-48-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.6679 0.3459 -0.0092 C 0 0 0
- 0.0241 -0.9141 -0.0076 C 0 0 0
- 2.1365 0.3681 -0.0027 C 0 0 0
- -0.0439 1.5596 -0.0110 C 0 0 0
- -1.4388 -0.9500 -0.0012 C 0 0 0
- 0.7800 -2.0966 -0.0116 C 0 0 0
- 2.8421 -0.8561 -0.0023 C 0 0 0
- 2.8417 1.5743 0.0034 C 0 0 0
- -1.4260 1.5638 -0.0046 C 0 0 0
- -2.0921 0.2755 -0.0053 C 0 0 0
- -2.2350 -2.0989 0.0081 C 0 0 0
- 2.1331 -2.0764 -0.0093 C 0 0 0
- 4.2456 -0.8371 0.0058 C 0 0 0
- 4.2067 1.5589 0.0104 C 0 0 0
- -2.5113 2.5478 -0.0031 C 0 0 0
- -3.4790 0.4497 -0.0016 C 0 0 0
- -3.6109 -1.9522 0.0131 C 0 0 0
- 4.9052 0.3560 0.0132 C 0 0 0
- -3.7028 1.8959 0.0069 C 0 0 0
- -4.2431 -0.7139 0.0087 C 0 0 0
- 0.4786 2.4685 0.0000 H 0 0 0
- 0.2833 -3.0198 0.0000 H 0 0 0
- 2.3251 2.4866 0.0000 H 0 0 0
- -1.7987 -3.0521 0.0000 H 0 0 0
- 2.6628 -2.9811 0.0000 H 0 0 0
- 4.7843 -1.7365 0.0000 H 0 0 0
- 4.7349 2.4645 0.0000 H 0 0 0
- -2.3880 3.5889 0.0000 H 0 0 0
- -4.2050 -2.8160 0.0000 H 0 0 0
- 5.9535 0.3670 0.0000 H 0 0 0
- -4.6430 2.3597 0.0000 H 0 0 0
- -5.2899 -0.6568 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136112-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.7319 1.8937 0.0276 C 0 0 0
- -2.1048 1.8239 0.0342 N 0 0 0
- -0.4139 3.2633 0.0394 C 0 0 0
- 0.2504 1.0013 0.0089 N 0 0 0
- -2.8766 0.6539 0.0275 C 0 0 0
- -2.5777 3.1047 0.0493 C 0 0 0
- -1.5839 3.9453 0.0524 N 0 0 0
- 0.9435 3.6327 0.0363 C 0 0 0
- 1.5158 1.3918 0.0077 C 0 0 0
- -3.7664 0.4137 -1.0105 C 0 0 0
- -2.7484 -0.2699 1.0562 C 0 0 0
- 1.8619 2.6748 0.0223 N 0 0 0
- 1.3132 4.9663 0.0470 N 0 0 0
- 2.5828 0.3625 -0.0131 C 0 0 0
- -4.5254 -0.7405 -1.0146 C 0 0 0
- -3.5099 -1.4220 1.0465 C 0 0 0
- 3.9233 0.7444 -0.0148 C 0 0 0
- 2.2492 -0.9911 -0.0252 C 0 0 0
- -4.3994 -1.6560 0.0137 C 0 0 0
- 4.9122 -0.2182 -0.0343 C 0 0 0
- 3.2464 -1.9445 -0.0446 C 0 0 0
- -5.2141 -2.8919 0.0064 N 0 3 0
- 4.5752 -1.5595 -0.0520 C 0 0 0
- -5.1040 -3.6992 0.9117 O 0 0 0
- -5.9945 -3.1014 -0.9050 O 0 5 0
- 5.6405 -2.5870 -0.0732 N 0 3 0
- 5.3463 -3.7689 -0.0889 O 0 0 0
- 6.8111 -2.2507 -0.0751 O 0 5 0
- -3.5747 3.3673 0.0000 H 0 0 0
- -4.3708 1.2490 0.0000 H 0 0 0
- -1.7429 -0.4980 0.0000 H 0 0 0
- 2.3113 5.2245 0.0000 H 0 0 0
- 0.5905 5.7016 0.0000 H 0 0 0
- -5.5310 -0.5130 0.0000 H 0 0 0
- -2.9092 -2.2599 0.0000 H 0 0 0
- 4.1756 1.7441 0.0000 H 0 0 0
- 1.2592 -1.2791 0.0000 H 0 0 0
- 5.9041 0.0631 0.0000 H 0 0 0
- 3.0009 -2.9458 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 8 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 17 20 1 0
- 18 21 2 0
- 19 22 1 0
- 20 23 2 0
- 22 24 2 0
- 22 25 1 0
- 23 26 1 0
- 26 27 2 0
- 26 28 1 0
- 6 7 2 0
- 9 12 1 0
- 16 19 1 0
- 21 23 1 0
- 6 29 1 0
- 10 30 1 0
- 11 31 1 0
- 13 32 1 0
- 13 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 20 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1943-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.6587 -0.0548 0.4745 C 0 0 0
- -0.6242 -0.1243 0.9188 O 0 0 0
- 1.2715 1.1791 0.3111 C 0 0 0
- 1.3589 -1.2176 0.1894 C 0 0 0
- -1.6451 -0.0378 0.0447 C 0 0 0
- 2.5751 1.2471 -0.1405 C 0 0 0
- 2.6627 -1.1444 -0.2621 C 0 0 0
- -2.9151 0.0055 0.4939 N 0 0 0
- -1.4213 0.0011 -1.1491 O 0 0 0
- 3.2693 0.0866 -0.4296 C 0 0 0
- -4.0256 0.0995 -0.4569 C 0 0 0
- 0.7342 1.9975 0.0000 H 0 0 0
- 0.9013 -2.0831 0.0000 H 0 0 0
- 3.0357 2.1110 0.0000 H 0 0 0
- 3.2029 -1.9609 0.0000 H 0 0 0
- -2.9731 -0.9718 0.0000 H 0 0 0
- 4.2475 0.1264 0.0000 H 0 0 0
- -3.9430 1.0750 0.0000 H 0 0 0
- -5.0011 0.1821 0.0000 H 0 0 0
- -4.1082 -0.8760 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 7 10 2 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-8003-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.6978 0.0666 -1.1384 C 0 0 0
- -0.6106 0.0103 -0.3927 C 0 0 0
- 1.5041 1.2471 -0.6518 C 0 0 0
- 1.5199 -1.1557 -0.8053 C 0 0 0
- -1.7328 0.0915 -1.0659 N 0 0 0
- -0.5957 -0.1322 0.9928 C 0 0 0
- 2.7456 0.7166 -0.0605 C 0 0 0
- 1.1887 2.4149 -0.7326 O 0 0 0
- 2.7548 -0.6884 -0.1503 C 0 0 0
- 1.2196 -2.3077 -1.0340 O 0 0 0
- -2.9177 0.0459 -0.4493 C 0 0 0
- -1.7720 -0.1855 1.6853 C 0 0 0
- 3.8270 1.3748 0.5303 C 0 0 0
- 3.8456 -1.4022 0.3522 C 0 0 0
- -2.9744 -0.0927 0.9599 C 0 0 0
- -4.1180 0.1339 -1.1762 C 0 0 0
- 4.8953 0.6495 1.0216 C 0 0 0
- 4.9051 -0.7314 0.9319 C 0 0 0
- -4.2219 -0.1396 1.6029 C 0 0 0
- -5.3094 0.0850 -0.5206 C 0 0 0
- -5.3627 -0.0514 0.8653 C 0 0 0
- 0.2500 0.8723 0.0000 H 0 0 0
- 0.1029 -0.7335 0.0000 H 0 0 0
- -1.7866 -1.1071 0.0000 H 0 0 0
- 3.8499 2.2963 0.0000 H 0 0 0
- 3.8387 -2.3239 0.0000 H 0 0 0
- -4.1032 1.0555 0.0000 H 0 0 0
- 5.7083 1.0839 0.0000 H 0 0 0
- 5.7142 -1.1730 0.0000 H 0 0 0
- -4.2401 -1.0612 0.0000 H 0 0 0
- -5.8447 0.8354 0.0000 H 0 0 0
- -6.1434 -0.5415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 7 9 2 0
- 12 15 2 0
- 17 18 1 0
- 20 21 1 0
- 1 22 1 0
- 6 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-524-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4548 0.4466 -0.0023 C 0 0 0
- -0.7986 -0.9205 -0.0012 C 0 0 0
- 0.9735 0.8248 -0.0015 C 0 0 0
- -1.4515 1.4155 0.0016 C 0 0 0
- 0.2525 -1.9448 0.0011 C 0 0 0
- -2.1443 -1.2864 -0.0019 C 0 0 0
- 1.9916 -0.2738 0.0005 C 0 0 0
- 1.3115 1.9900 -0.0020 O 0 0 0
- -2.7834 1.0313 0.0066 C 0 0 0
- 1.5591 -1.6213 0.0024 C 0 0 0
- -3.1248 -0.3083 -0.0037 C 0 0 0
- 3.1778 -0.0106 0.0008 O 0 0 0
- -1.1984 2.4268 0.0000 H 0 0 0
- -0.0204 -2.9510 0.0000 H 0 0 0
- -2.4117 -2.2941 0.0000 H 0 0 0
- -3.5320 1.7568 0.0000 H 0 0 0
- 2.2708 -2.3831 0.0000 H 0 0 0
- -4.1300 -0.5849 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 2 0
- 7 10 1 0
- 9 11 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-540-80-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.3882 -0.4994 0.0000 O 0 0 0
- -0.9763 -0.0030 0.0000 C 0 0 0
- 1.3211 0.2837 0.0000 N 0 0 0
- -1.2090 0.8492 -1.2493 C 0 0 0
- -1.9488 -1.1842 0.0000 C 0 0 0
- -1.2090 0.8492 1.2492 C 0 0 0
- 2.4657 -0.1328 0.0000 O 0 0 0
- -0.3278 1.0898 0.0000 H 0 0 0
- -1.4496 1.7304 0.0000 H 0 0 0
- -2.0902 0.6086 0.0000 H 0 0 0
- -2.6540 -0.6036 0.0000 H 0 0 0
- -2.5294 -1.8894 0.0000 H 0 0 0
- -1.2436 -1.7648 0.0000 H 0 0 0
- -0.3278 1.0898 0.0000 H 0 0 0
- -1.4496 1.7304 0.0000 H 0 0 0
- -2.0902 0.6086 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2393-18-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.4830 -0.3477 0.0041 C 0 0 0
- 1.4086 -1.3988 0.0030 C 0 0 0
- 0.9348 0.9779 0.0024 C 0 0 0
- -0.9575 -0.6348 0.0010 C 0 0 0
- 2.7474 -1.1303 0.0002 C 0 0 0
- 2.2859 1.2395 -0.0004 C 0 0 0
- -1.8490 0.3810 0.0021 C 0 0 0
- 3.1981 0.1873 -0.0015 C 0 0 0
- -3.2388 0.1040 -0.0009 C 0 0 0
- 4.5634 0.4532 -0.0039 N 0 0 0
- -4.1289 1.1181 0.0002 O 0 0 0
- -3.6294 -1.0482 -0.0044 O 0 0 0
- 1.0749 -2.3878 0.0000 H 0 0 0
- 0.2491 1.7649 0.0000 H 0 0 0
- -1.2927 -1.6233 0.0000 H 0 0 0
- 3.4353 -1.9153 0.0000 H 0 0 0
- 2.6268 2.2261 0.0000 H 0 0 0
- -1.5138 1.3695 0.0000 H 0 0 0
- 5.2485 -0.3343 0.0000 H 0 0 0
- 4.9029 1.4403 0.0000 H 0 0 0
- -4.8175 1.9026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93-27-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -1.0512 0.0531 0.4202 C 0 0 0
- -0.2562 -1.0566 0.1429 C 0 0 0
- -0.4702 1.3081 0.5289 C 0 0 0
- -2.4348 -0.0971 0.5831 N 0 0 0
- 1.1106 -0.9013 -0.0229 C 0 0 0
- -0.8201 -2.2893 0.0356 O 0 0 0
- 0.8938 1.4545 0.3622 C 0 0 0
- -3.2847 0.6360 -0.1630 C 0 0 0
- 1.6824 0.3525 0.0869 C 0 0 0
- 0.2396 -3.2048 -0.2492 C 0 0 0
- -4.7670 0.5718 0.1012 C 0 0 0
- -2.8565 1.3475 -1.0472 O 0 0 0
- 3.1429 0.5157 -0.0902 N 0 3 0
- 3.6484 1.6197 0.0062 O 0 0 0
- 3.8391 -0.4539 -0.3323 O 0 5 0
- -1.0697 2.1442 0.0000 H 0 0 0
- -2.7406 -1.0795 0.0000 H 0 0 0
- 1.7151 -1.7339 0.0000 H 0 0 0
- 1.3146 2.3934 0.0000 H 0 0 0
- -0.4330 -3.9834 0.0000 H 0 0 0
- 1.0182 -3.8774 0.0000 H 0 0 0
- 0.9122 -2.4262 0.0000 H 0 0 0
- -4.8115 1.5997 0.0000 H 0 0 0
- -5.7949 0.5273 0.0000 H 0 0 0
- -4.7225 -0.4561 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 8 12 2 0
- 9 13 1 0
- 13 14 2 0
- 13 15 1 0
- 7 9 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 7 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-485-47-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -1.5490 0.0000 0.0001 C 0 0 0
- -0.6372 -1.2039 -0.0001 C 0 0 0
- -0.6372 1.2039 0.0000 C 0 0 0
- -2.3664 0.0001 -1.1720 O 0 0 0
- -2.3660 -0.0001 1.1725 O 0 0 0
- 0.7494 -0.7040 -0.0003 C 0 0 0
- -0.9818 -2.3662 -0.0001 O 0 0 0
- 0.7494 0.7039 -0.0002 C 0 0 0
- -0.9818 2.3662 -0.0002 O 0 0 0
- 1.9656 -1.3914 -0.0001 C 0 0 0
- 1.9656 1.3914 0.0001 C 0 0 0
- 3.1570 -0.6919 0.0002 C 0 0 0
- 3.1570 0.6920 0.0003 C 0 0 0
- -3.4092 0.0002 0.0000 H 0 0 0
- -3.4088 -0.0002 0.0000 H 0 0 0
- 1.9742 -2.4342 0.0000 H 0 0 0
- 1.9741 2.4342 0.0000 H 0 0 0
- 4.0620 -1.2100 0.0000 H 0 0 0
- 4.0620 1.2102 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 2 0
- 6 10 1 0
- 8 11 1 0
- 10 12 2 0
- 11 13 2 0
- 6 8 2 0
- 12 13 1 0
- 4 14 1 0
- 5 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135561-93-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -1.7904 -0.2237 0.0857 C 0 0 0
- -2.8315 0.7090 -0.0459 C 0 0 0
- -0.5995 0.2161 0.6788 C 0 0 0
- -2.2119 -1.4243 -0.4372 N 0 0 0
- -3.9475 0.0023 -0.6892 C 0 0 0
- -2.6182 2.0121 0.4216 C 0 0 0
- 0.4765 -0.6656 0.8385 N 0 0 0
- -0.4994 1.4683 1.0857 N 0 0 0
- -3.5066 -1.3122 -0.9127 C 0 0 0
- -5.2311 0.3812 -1.0783 C 0 0 0
- -1.4513 2.3194 0.9679 N 0 0 0
- -3.6184 2.9708 0.3131 N 0 0 0
- 1.5104 -0.8231 -0.0189 C 0 0 0
- 0.6757 -1.5363 1.9176 N 0 0 0
- -4.3637 -2.2244 -1.5206 C 0 0 0
- -6.0660 -0.5382 -1.6746 C 0 0 0
- -3.4014 4.2391 0.7717 N 0 0 0
- 2.3334 -1.7652 0.4973 C 0 0 0
- 1.7099 -0.0829 -1.3163 C 0 0 0
- 1.7873 -2.1959 1.7114 C 0 0 0
- -5.6292 -1.8348 -1.9015 C 0 0 0
- 2.3791 -3.2371 2.6261 C 0 0 0
- 13.0650 0.7853 -1.0940 Cl 0 0 0
- -1.6924 -2.2288 0.0000 H 0 0 0
- -5.4895 1.3033 0.0000 H 0 0 0
- -4.5279 2.6709 0.0000 H 0 0 0
- -4.1185 -3.1502 0.0000 H 0 0 0
- -7.0034 -0.3422 0.0000 H 0 0 0
- -2.5032 4.5712 0.0000 H 0 0 0
- -4.1381 4.8510 0.0000 H 0 0 0
- 3.2870 -1.8536 0.0000 H 0 0 0
- 2.6346 -0.3321 0.0000 H 0 0 0
- 1.9591 0.8418 0.0000 H 0 0 0
- 0.7852 0.1663 0.0000 H 0 0 0
- -6.2974 -2.5208 0.0000 H 0 0 0
- 1.5465 -3.7103 0.0000 H 0 0 0
- 2.8523 -4.0697 0.0000 H 0 0 0
- 3.2117 -2.7639 0.0000 H 0 0 0
- 14.0227 0.7853 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 2 0
- 12 17 1 0
- 13 18 2 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 20 22 1 0
- 5 9 2 0
- 8 11 1 0
- 16 21 1 0
- 18 20 1 0
- 4 24 1 0
- 10 25 1 0
- 12 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91254-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.4655 -0.5901 -0.0022 C 0 0 0
- -1.5763 0.0947 -0.0016 C 0 0 0
- 0.8387 0.0967 -0.0012 C 0 0 0
- -0.5019 -2.0647 0.0024 C 0 0 0
- -1.5485 1.5684 0.0005 C 0 0 0
- -2.8774 -0.6002 -0.0027 C 0 0 0
- 1.9372 -0.6213 -0.0017 C 0 0 0
- 0.8741 1.5689 0.0008 C 0 0 0
- 0.7865 -2.7794 0.0017 C 0 0 0
- -1.6565 -2.6872 0.0074 C 0 0 0
- -0.2492 2.2613 0.0019 C 0 0 0
- -2.6835 2.2273 0.0015 C 0 0 0
- -2.9150 -1.9114 -0.0043 C 0 0 0
- -4.0947 0.2298 -0.0014 C 0 0 0
- 1.9071 -2.0894 -0.0027 C 0 0 0
- 3.1355 0.0112 -0.0007 N 0 3 0
- 2.0712 2.2184 0.0020 O 0 0 0
- -3.9816 1.5408 0.0006 C 0 0 0
- 3.6742 0.2968 -1.0551 O 0 0 0
- 3.6740 0.2942 1.0545 O 0 5 0
- 0.8097 -3.8006 0.0000 H 0 0 0
- -1.6861 -3.7082 0.0000 H 0 0 0
- -0.2173 3.2823 0.0000 H 0 0 0
- -2.6633 3.2486 0.0000 H 0 0 0
- -3.8139 -2.3965 0.0000 H 0 0 0
- -5.0175 -0.2082 0.0000 H 0 0 0
- 2.7937 -2.5967 0.0000 H 0 0 0
- 2.9690 2.7055 0.0000 H 0 0 0
- -4.8331 2.1050 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 12 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 1 0
- 14 18 2 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-828-00-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.2252 -0.5258 0.1085 C 0 0 0
- 0.7195 -1.5711 -0.4939 C 0 0 0
- 0.1689 0.7731 -0.3387 O 0 0 0
- -1.5846 -0.7951 -0.3249 O 0 0 0
- 2.1627 -1.1924 -0.1452 C 0 0 0
- 1.5004 0.9912 0.1237 C 0 0 0
- -2.5883 -0.0022 0.0821 C 0 0 0
- 2.4117 0.1470 -0.5769 O 0 0 0
- 2.3628 -1.2857 1.3688 C 0 0 0
- 1.8850 2.4548 -0.1014 C 0 0 0
- -3.9991 -0.2817 -0.3678 C 0 0 0
- -2.3605 0.9356 0.8091 O 0 0 0
- 0.7701 -0.3031 0.0000 H 0 0 0
- -0.1361 -2.1262 0.0000 H 0 0 0
- 1.1317 -2.5040 0.0000 H 0 0 0
- 2.0712 -2.2082 0.0000 H 0 0 0
- 1.2064 0.0146 0.0000 H 0 0 0
- 1.9318 -2.2101 0.0000 H 0 0 0
- 3.2872 -1.7167 0.0000 H 0 0 0
- 2.7938 -0.3613 0.0000 H 0 0 0
- 2.8714 2.1956 0.0000 H 0 0 0
- 2.1442 3.4412 0.0000 H 0 0 0
- 0.8986 2.7140 0.0000 H 0 0 0
- -4.1973 0.7188 0.0000 H 0 0 0
- -4.9996 -0.4799 0.0000 H 0 0 0
- -3.8009 -1.2822 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 6 8 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4947-27-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.1933 -0.7876 -0.3461 C 0 0 0
- -1.1684 -1.6599 0.1744 C 0 0 0
- 1.0976 -1.2675 -0.6022 C 0 0 0
- -0.5320 0.6178 -0.6243 C 0 0 0
- -2.5331 -1.1639 0.4477 C 0 0 0
- -0.8410 -2.9870 0.4287 C 0 0 0
- 2.0676 -0.4195 -1.1142 N 0 0 0
- 1.4023 -2.6034 -0.3389 C 0 0 0
- -1.8984 1.1144 -0.3568 C 0 0 0
- 0.3114 1.3693 -1.0741 O 0 0 0
- -2.8710 0.2483 0.1735 C 0 0 0
- -3.3758 -1.9156 0.8965 O 0 0 0
- 0.4407 -3.4494 0.1706 C 0 0 0
- 2.7312 0.4735 -0.2694 C 0 0 0
- 2.7896 -3.1241 -0.6134 C 0 0 0
- -2.2262 2.4418 -0.6172 C 0 0 0
- -4.1541 0.7254 0.4275 C 0 0 0
- 3.6635 1.3627 -0.7901 C 0 0 0
- 2.4563 0.4786 1.0923 C 0 0 0
- -3.5076 2.8982 -0.3639 C 0 0 0
- -4.4615 2.0490 0.1677 C 0 0 0
- 4.3172 2.2443 0.0478 C 0 0 0
- 3.1139 1.3632 1.9246 C 0 0 0
- 4.0449 2.2430 1.4039 C 0 0 0
- -1.5701 -3.6437 0.0000 H 0 0 0
- 2.7884 -1.0853 0.0000 H 0 0 0
- 0.6238 -4.4134 0.0000 H 0 0 0
- 2.4448 -4.0428 0.0000 H 0 0 0
- 3.7083 -3.4689 0.0000 H 0 0 0
- 3.1344 -2.2054 0.0000 H 0 0 0
- -1.4985 3.1001 0.0000 H 0 0 0
- -4.8908 0.0773 0.0000 H 0 0 0
- 4.3989 0.7131 0.0000 H 0 0 0
- 1.5755 0.0461 0.0000 H 0 0 0
- -3.6954 3.8613 0.0000 H 0 0 0
- -5.3967 2.3461 0.0000 H 0 0 0
- 5.1926 2.6876 0.0000 H 0 0 0
- 2.3804 2.0150 0.0000 H 0 0 0
- 3.6801 3.1539 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 18 22 2 0
- 19 23 1 0
- 22 24 1 0
- 8 13 1 0
- 9 11 2 0
- 20 21 1 0
- 23 24 2 0
- 6 25 1 0
- 7 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-158366-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7176 -0.4612 -0.0058 C 0 0 0
- -0.6591 -0.3865 -0.0005 N 0 0 0
- 1.2022 0.8355 -0.0173 C 0 0 0
- 1.4916 -1.6439 0.0047 C 0 0 0
- -1.0218 0.9125 -0.0084 C 0 0 0
- -1.5360 -1.4791 0.0111 N 0 3 0
- 0.0938 1.6839 -0.0187 C 0 0 0
- 2.6248 1.2444 -0.0255 N 0 3 0
- 1.7710 -2.3731 -1.2842 C 0 0 0
- 1.9316 -2.0724 1.0524 O 0 0 0
- -2.4140 1.4155 -0.0061 N 0 3 0
- -1.9127 -1.9464 1.0710 O 0 0 0
- -1.9216 -1.9617 -1.0386 O 0 5 0
- 2.9198 2.4240 0.0451 O 0 0 0
- 3.5004 0.4012 -0.1030 O 0 5 0
- -2.6283 2.6145 -0.0139 O 0 0 0
- -3.3452 0.6305 0.0035 O 0 5 0
- 0.1182 2.6951 0.0000 H 0 0 0
- 0.8264 -2.7350 0.0000 H 0 0 0
- 2.1329 -3.3177 0.0000 H 0 0 0
- 2.7156 -2.0112 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 11 16 2 0
- 11 17 1 0
- 5 7 2 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.0000 -1.4102 -0.0008 C 0 0 0
- -1.2793 -0.6716 -0.0003 C 0 0 0
- 1.2793 -0.6716 -0.0009 C 0 0 0
- 0.0000 -2.6248 0.0038 O 0 0 0
- -1.2793 0.6716 0.0002 C 0 0 0
- -2.7827 -1.5397 -0.0008 Cl 0 0 0
- 1.2793 0.6716 -0.0005 C 0 0 0
- 2.7827 -1.5396 -0.0010 Cl 0 0 0
- 0.0000 1.4102 0.0001 C 0 0 0
- -2.7827 1.5396 0.0003 Cl 0 0 0
- 2.7827 1.5396 0.0006 Cl 0 0 0
- 0.0000 2.6248 -0.0003 O 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 2 0
- 7 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-78-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.6490 -1.1602 -0.0020 C 0 0 0
- -0.6804 -1.1421 -0.0015 N 0 0 0
- 1.3292 -0.0182 -0.0012 N 0 0 0
- 1.3227 -2.3646 0.0024 N 0 0 0
- -1.3292 0.0180 -0.0002 C 0 0 0
- 0.6802 1.1421 0.0001 C 0 0 0
- -0.6489 1.1602 0.0007 N 0 0 0
- -2.7092 0.0368 0.0008 N 0 0 0
- 1.3865 2.3279 0.0005 N 0 0 0
- 0.8125 -3.2213 0.0000 H 0 0 0
- 2.3197 -2.3782 0.0000 H 0 0 0
- -3.1959 0.9070 0.0000 H 0 0 0
- -3.2195 -0.8198 0.0000 H 0 0 0
- 2.3835 2.3143 0.0000 H 0 0 0
- 0.8997 3.1981 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 7 2 0
- 4 10 1 0
- 4 11 1 0
- 8 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51787-75-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.6965 -0.1394 -0.0009 C 0 0 0
- -0.7865 -0.1296 -0.0006 C 0 0 0
- 1.4079 1.0665 -0.0007 C 0 0 0
- 1.3881 -1.3479 0.0045 C 0 0 0
- -1.4856 -0.1209 1.2049 C 0 0 0
- -1.4863 -0.1233 -1.2062 C 0 0 0
- 2.7952 1.0467 -0.0005 C 0 0 0
- 0.7250 2.2825 -0.0012 N 0 0 0
- 2.7686 -1.3520 0.0047 C 0 0 0
- -2.8659 -0.1118 1.1990 C 0 0 0
- -2.8661 -0.1142 -1.1999 C 0 0 0
- 3.4698 -0.1592 -0.0005 C 0 0 0
- -3.5550 -0.1113 -0.0001 C 0 0 0
- 4.9500 -0.1750 -0.0007 N 0 3 0
- -5.0352 -0.1016 0.0001 N 0 3 0
- 5.5477 -1.2362 -0.0007 O 0 0 0
- 5.5702 0.8733 -0.0009 O 0 5 0
- -5.6444 -0.1012 -1.0546 O 0 0 0
- -5.6440 -0.0940 1.0551 O 0 5 0
- 0.8674 -2.2427 0.0000 H 0 0 0
- -1.4757 0.9144 0.0000 H 0 0 0
- -1.4782 0.9120 0.0000 H 0 0 0
- 3.3253 1.9360 0.0000 H 0 0 0
- 1.2533 3.1729 0.0000 H 0 0 0
- -0.3102 2.2948 0.0000 H 0 0 0
- 3.2814 -2.2514 0.0000 H 0 0 0
- -2.8621 0.9235 0.0000 H 0 0 0
- -2.8605 0.9211 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 2 0
- 15 19 1 0
- 9 12 2 0
- 11 13 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-488-23-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 0.6913 -0.6966 -0.0014 C 0 0 0
- -0.6913 -0.6966 -0.0010 C 0 0 0
- 1.3824 0.5003 -0.0005 C 0 0 0
- 1.4448 -2.0017 0.0035 C 0 0 0
- -1.3823 0.5003 0.0003 C 0 0 0
- -1.4448 -2.0017 -0.0016 C 0 0 0
- 0.6911 1.6977 0.0008 C 0 0 0
- 2.8894 0.5003 -0.0014 C 0 0 0
- -0.6911 1.6977 0.0008 C 0 0 0
- -2.8893 0.5004 0.0007 C 0 0 0
- 0.5468 -2.5202 0.0000 H 0 0 0
- 1.9633 -2.8997 0.0000 H 0 0 0
- 2.3428 -1.4832 0.0000 H 0 0 0
- -2.3428 -1.4832 0.0000 H 0 0 0
- -1.9633 -2.8997 0.0000 H 0 0 0
- -0.5468 -2.5202 0.0000 H 0 0 0
- 1.2096 2.5957 0.0000 H 0 0 0
- 2.8894 -0.5367 0.0000 H 0 0 0
- 3.9264 0.5003 0.0000 H 0 0 0
- 2.8894 1.5373 0.0000 H 0 0 0
- -1.2096 2.5957 0.0000 H 0 0 0
- -2.8892 1.5374 0.0000 H 0 0 0
- -3.9263 0.5005 0.0000 H 0 0 0
- -2.8894 -0.5366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 9 2 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-138835-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.4092 -0.4071 -0.0062 C 0 0 0
- -0.9610 -0.7129 -0.0166 C 0 0 0
- 0.8276 0.9376 0.0160 C 0 0 0
- 1.4041 -1.4795 -0.0123 C 0 0 0
- -1.9061 0.3389 -0.0046 C 0 0 0
- -1.3835 -2.0607 -0.0385 C 0 0 0
- 2.2682 1.1836 0.0259 C 0 0 0
- -0.1279 1.9660 0.0281 C 0 0 0
- 2.6935 -1.1843 -0.0020 N 0 3 0
- 0.9322 -2.8644 -0.0294 C 0 0 0
- -3.2694 0.0201 -0.0151 C 0 0 0
- -1.4556 1.6779 0.0173 C 0 0 0
- -0.3924 -3.1329 -0.0498 C 0 0 0
- -2.7527 -2.3352 -0.0485 C 0 0 0
- 3.1507 0.0728 0.0126 C 0 0 0
- 2.7835 2.4831 0.0474 C 0 0 0
- 3.6309 -2.2455 -0.0083 O 0 5 0
- -3.6700 -1.2998 -0.0365 C 0 0 0
- -4.2823 1.1009 -0.0029 N 0 3 0
- 4.5389 0.3149 0.0222 C 0 0 0
- 4.1334 2.6769 0.0556 C 0 0 0
- -5.2302 1.0386 0.7593 O 0 0 0
- -4.1672 2.0520 -0.7551 O 0 5 0
- 5.0064 1.5921 0.0436 C 0 0 0
- 0.1871 2.9692 0.0000 H 0 0 0
- 1.6264 -3.6541 0.0000 H 0 0 0
- -2.1567 2.4614 0.0000 H 0 0 0
- -0.7155 -4.1335 0.0000 H 0 0 0
- -3.0874 -3.3319 0.0000 H 0 0 0
- 2.1323 3.3086 0.0000 H 0 0 0
- -4.6972 -1.5243 0.0000 H 0 0 0
- 5.2133 -0.4918 0.0000 H 0 0 0
- 4.5188 3.6552 0.0000 H 0 0 0
- 6.0438 1.7631 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 15 20 1 0
- 16 21 2 0
- 19 22 2 0
- 19 23 1 0
- 20 24 2 0
- 8 12 2 0
- 9 15 2 0
- 10 13 2 0
- 14 18 2 0
- 21 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 20 32 1 0
- 21 33 1 0
- 24 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6633-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.0467 -0.5377 -0.0009 C 0 0 0
- -1.5298 -0.4953 -0.0007 C 0 0 0
- 0.4546 0.7610 0.0001 C 0 0 0
- 0.8416 -1.6151 0.0035 C 0 0 0
- -1.9556 0.8309 0.0003 C 0 0 0
- -2.4772 -1.5211 -0.0014 C 0 0 0
- -0.7241 1.7033 0.0009 C 0 0 0
- 1.8160 0.9803 0.0001 C 0 0 0
- 2.2016 -1.3861 0.0022 C 0 0 0
- -3.3003 1.1296 0.0007 C 0 0 0
- -3.8219 -1.2181 -0.0011 C 0 0 0
- 2.6904 -0.0919 -0.0008 C 0 0 0
- -4.2391 0.1059 0.0000 C 0 0 0
- 4.1513 0.1462 -0.0007 N 0 3 0
- -5.5655 0.4003 -0.0001 O 0 0 0
- 4.9220 -0.7970 -0.0015 O 0 0 0
- 4.5828 1.2852 0.0001 O 0 5 0
- 0.4775 -2.5905 0.0000 H 0 0 0
- -2.1678 -2.5152 0.0000 H 0 0 0
- -0.0010 2.4524 0.0000 H 0 0 0
- -1.4025 2.4931 0.0000 H 0 0 0
- 2.1861 1.9534 0.0000 H 0 0 0
- 2.8629 -2.1902 0.0000 H 0 0 0
- -3.6130 2.1227 0.0000 H 0 0 0
- -4.5267 -1.9844 0.0000 H 0 0 0
- -6.5819 0.6259 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 14 17 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3102-87-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -1.4440 -2.5076 0.0029 C 0 0 0
- -0.6904 -1.2026 0.0029 C 0 0 0
- 0.6903 -1.2026 -0.0001 C 0 0 0
- -1.3848 0.0002 0.0001 C 0 0 0
- 1.4437 -2.5078 -0.0034 C 0 0 0
- 1.3848 0.0001 0.0003 C 0 0 0
- -2.7848 0.0002 -0.0022 N 0 0 0
- -0.6905 1.2025 0.0001 C 0 0 0
- 2.7848 0.0000 -0.0022 N 0 0 0
- 0.6906 1.2025 0.0029 C 0 0 0
- -1.4440 2.5077 -0.0034 C 0 0 0
- 1.4442 2.5075 0.0029 C 0 0 0
- -2.3497 -1.9846 0.0000 H 0 0 0
- -1.9670 -3.4133 0.0000 H 0 0 0
- -0.5383 -3.0306 0.0000 H 0 0 0
- 0.5379 -3.0306 0.0000 H 0 0 0
- 1.9665 -3.4136 0.0000 H 0 0 0
- 2.3495 -1.9850 0.0000 H 0 0 0
- -3.3077 0.9059 0.0000 H 0 0 0
- -3.3077 -0.9055 0.0000 H 0 0 0
- 3.3076 -0.9057 0.0000 H 0 0 0
- 3.3078 0.9057 0.0000 H 0 0 0
- -0.5383 3.0306 0.0000 H 0 0 0
- -1.9669 3.4134 0.0000 H 0 0 0
- -2.3497 1.9848 0.0000 H 0 0 0
- 2.3499 1.9845 0.0000 H 0 0 0
- 1.9672 3.4132 0.0000 H 0 0 0
- 0.5385 3.0305 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 6 1 0
- 10 6 2 0
- 11 8 1 0
- 12 10 1 0
- 8 10 1 0
- 1 13 1 0
- 1 14 1 0
- 1 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7779-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.1947 -0.0570 0.2766 C 0 0 0
- -0.1566 0.4368 0.5918 C 0 0 0
- 2.0838 0.7400 -0.4621 C 0 0 0
- 1.6025 -1.3200 0.7161 C 0 0 0
- -1.2390 -0.2256 0.1379 O 0 0 0
- -0.2956 1.4415 1.2611 O 0 0 0
- 3.3561 0.2624 -0.7523 C 0 0 0
- 1.6937 1.9981 -0.9006 N 0 0 0
- 2.8676 -1.7756 0.4183 C 0 0 0
- -2.5712 0.2612 0.4486 C 0 0 0
- 3.7411 -0.9883 -0.3158 C 0 0 0
- -3.6127 -0.6657 -0.1814 C 0 0 0
- -5.0164 -0.1527 0.1460 C 0 0 0
- -3.4204 -0.6919 -1.6991 C 0 0 0
- 0.8897 -2.0094 0.0000 H 0 0 0
- 4.0782 0.9421 0.0000 H 0 0 0
- 2.3671 2.7260 0.0000 H 0 0 0
- 0.7266 2.2173 0.0000 H 0 0 0
- 3.0587 -2.7487 0.0000 H 0 0 0
- -2.0830 1.1244 0.0000 H 0 0 0
- -3.3428 0.8841 0.0000 H 0 0 0
- 4.6970 -1.2521 0.0000 H 0 0 0
- -3.8512 -1.6282 0.0000 H 0 0 0
- -4.6760 0.7787 0.0000 H 0 0 0
- -5.9478 0.1877 0.0000 H 0 0 0
- -5.3568 -1.0841 0.0000 H 0 0 0
- -3.5543 -1.6745 0.0000 H 0 0 0
- -2.4378 -0.8258 0.0000 H 0 0 0
- -3.2865 0.2907 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 1 0
- 12 13 1 0
- 12 14 1 0
- 9 11 1 0
- 4 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14953-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.1965 -0.8523 -0.0981 C 0 0 0
- -1.2644 -0.0193 0.0098 C 0 0 0
- 1.2320 -0.4528 -0.0656 C 0 0 0
- -0.6684 -2.1083 -0.2342 N 0 0 0
- -2.3823 -0.8017 -0.0700 N 0 0 0
- -1.2248 1.4508 0.1811 N 0 3 0
- 2.1634 -1.2403 0.6089 C 0 0 0
- 1.6483 0.7080 -0.7142 C 0 0 0
- -1.9715 -2.0808 -0.2144 C 0 0 0
- -3.7708 -0.3395 -0.0016 C 0 0 0
- -1.1981 1.9331 1.2992 O 0 0 0
- -1.2190 2.1778 -0.7961 O 0 5 0
- 3.4908 -0.8642 0.6354 C 0 0 0
- 2.9787 1.0746 -0.6811 C 0 0 0
- 3.8977 0.2922 -0.0058 C 0 0 0
- 1.9506 -2.2245 0.0000 H 0 0 0
- 0.9637 1.4464 0.0000 H 0 0 0
- -2.5733 -2.8881 0.0000 H 0 0 0
- -3.4528 0.6159 0.0000 H 0 0 0
- -4.7262 -0.0215 0.0000 H 0 0 0
- -4.0888 -1.2949 0.0000 H 0 0 0
- 4.1803 -1.5980 0.0000 H 0 0 0
- 3.1967 2.0577 0.0000 H 0 0 0
- 4.8699 0.5546 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 13 15 1 0
- 5 9 1 0
- 14 15 2 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35604-67-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -3.1274 -0.4135 -0.2337 C 0 0 0
- -4.1560 0.5222 -0.2856 C 0 0 0
- -1.9476 -0.0969 0.3640 O 0 0 0
- -3.3099 -1.6706 -0.7873 C 0 0 0
- -5.3564 0.1946 -0.8953 C 0 0 0
- -3.9837 1.7554 0.2613 O 0 0 0
- -1.1080 -1.2481 0.2564 C 0 0 0
- -4.5118 -1.9928 -1.3895 C 0 0 0
- -5.5301 -1.0595 -1.4504 C 0 0 0
- -5.2003 2.4746 0.0498 C 0 0 0
- 0.2430 -0.9573 0.9130 C 0 0 0
- -5.0728 3.8784 0.6448 C 0 0 0
- 1.1415 -2.1893 0.7978 C 0 0 0
- 0.8602 0.1520 0.2604 O 0 0 0
- 2.4118 -1.9372 1.4910 N 0 0 0
- 2.0744 0.4292 0.9579 C 0 0 0
- 3.0200 -0.7673 0.8438 C 0 0 0
- 11.8020 0.8968 -0.7930 Cl 0 0 0
- -2.5773 -2.3217 0.0000 H 0 0 0
- -6.0926 0.8416 0.0000 H 0 0 0
- -1.9724 -1.7100 0.0000 H 0 0 0
- -0.7706 -2.1683 0.0000 H 0 0 0
- -4.7448 -2.9448 0.0000 H 0 0 0
- -6.4522 -1.3916 0.0000 H 0 0 0
- -6.1527 2.7060 0.0000 H 0 0 0
- -5.5694 1.5666 0.0000 H 0 0 0
- -0.3404 -0.1697 0.0000 H 0 0 0
- -4.0967 3.7897 0.0000 H 0 0 0
- -4.9841 4.8545 0.0000 H 0 0 0
- -6.0489 3.9671 0.0000 H 0 0 0
- 0.2746 -2.6466 0.0000 H 0 0 0
- 1.4690 -3.1131 0.0000 H 0 0 0
- 3.0000 -2.7212 0.0000 H 0 0 0
- 2.9246 0.9168 0.0000 H 0 0 0
- 1.7176 1.3421 0.0000 H 0 0 0
- 3.8175 -1.3370 0.0000 H 0 0 0
- 3.6960 -0.0576 0.0000 H 0 0 0
- 12.7821 0.8968 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 8 9 1 0
- 16 17 1 0
- 4 19 1 0
- 5 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-622-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.1319 0.4246 -0.2890 C 0 0 0
- 0.3633 -0.8285 -0.6261 C 0 0 0
- 0.7245 1.3929 0.2179 C 0 0 0
- -1.4900 0.7126 -0.4654 N 0 0 0
- 1.7050 -1.1076 -0.4562 C 0 0 0
- 2.0656 1.1073 0.3855 C 0 0 0
- -2.4251 -0.0779 0.0977 C 0 0 0
- 2.5554 -0.1410 0.0491 C 0 0 0
- -3.7303 0.1276 -0.1685 N 0 0 0
- -2.0913 -0.9763 0.8459 O 0 0 0
- 4.0189 -0.4493 0.2337 C 0 0 0
- -0.2844 -1.5979 0.0000 H 0 0 0
- 0.4097 2.3481 0.0000 H 0 0 0
- -1.7353 1.6879 0.0000 H 0 0 0
- 2.0234 -2.0616 0.0000 H 0 0 0
- 2.7161 1.8743 0.0000 H 0 0 0
- -4.0916 1.0662 0.0000 H 0 0 0
- -4.3625 -0.6546 0.0000 H 0 0 0
- 3.8116 -1.4334 0.0000 H 0 0 0
- 5.0030 -0.6566 0.0000 H 0 0 0
- 4.2262 0.5348 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55984-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.7109 -0.4655 0.1855 N 0 0 0
- -0.6021 -0.6524 0.8078 C 0 0 0
- 1.4560 0.5271 0.5371 N 0 0 0
- 1.1804 -1.4094 -0.8318 C 0 0 0
- -1.6456 0.0868 0.0105 C 0 0 0
- 2.5476 0.6825 0.0197 O 0 0 0
- -3.0885 0.0535 0.4440 C 0 0 0
- -1.3256 0.7059 -0.9757 O 0 0 0
- -1.3239 -1.2402 0.0000 H 0 0 0
- -0.2290 -1.5052 0.0000 H 0 0 0
- 0.3470 -1.8240 0.0000 H 0 0 0
- 1.5950 -2.2428 0.0000 H 0 0 0
- 2.0138 -0.9948 0.0000 H 0 0 0
- -3.1100 0.9841 0.0000 H 0 0 0
- -4.0191 0.0320 0.0000 H 0 0 0
- -3.0670 -0.8771 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 5 8 2 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81593-15-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- -1.2372 0.7724 0.7121 C 0 0 0
- -1.2421 -0.7637 0.7127 C 0 0 0
- 0.0485 1.4758 0.3474 C 0 0 0
- -1.7164 0.0055 -0.4455 N 0 0 0
- 0.0387 -1.4758 0.3479 C 0 0 0
- 1.1819 0.7378 0.0253 C 0 0 0
- 0.0904 2.8556 0.3368 C 0 0 0
- -3.4245 0.0111 -0.3657 Cl 0 0 0
- 1.1767 -0.7455 0.0245 C 0 0 0
- 0.0712 -2.8559 0.3376 C 0 0 0
- 2.3616 1.4085 -0.3091 C 0 0 0
- 1.2615 3.5121 0.0049 C 0 0 0
- 2.3516 -1.4242 -0.3105 C 0 0 0
- 1.2377 -3.5203 0.0052 C 0 0 0
- 2.3945 2.7867 -0.3176 C 0 0 0
- 2.3754 -2.8026 -0.3181 C 0 0 0
- -1.9357 1.5126 0.0000 H 0 0 0
- -1.9454 -1.4994 0.0000 H 0 0 0
- -0.7799 3.3833 0.0000 H 0 0 0
- -0.8026 -3.3777 0.0000 H 0 0 0
- 3.2352 0.8862 0.0000 H 0 0 0
- 1.2913 4.5294 0.0000 H 0 0 0
- 3.2287 -0.9078 0.0000 H 0 0 0
- 1.2606 -4.5378 0.0000 H 0 0 0
- 3.2931 3.2645 0.0000 H 0 0 0
- 3.2708 -3.2864 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 2 0
- 9 13 1 0
- 10 14 2 0
- 11 15 2 0
- 13 16 2 0
- 2 4 1 0
- 6 9 1 0
- 12 15 1 0
- 14 16 1 0
- 1 17 1 0
- 2 18 1 0
- 7 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139883-82-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 23 1 V2000
- -2.0176 -0.8679 -0.6135 C 0 0 1
- -2.9535 0.0808 0.1382 C 0 0 0
- -0.8516 -1.2281 0.2707 C 0 0 0
- -2.7488 -2.0879 -0.9809 N 0 0 0
- -4.1373 0.4465 -0.7595 C 0 0 0
- 0.2610 -0.4774 0.2533 O 0 0 0
- -0.9182 -2.1927 0.9952 O 0 0 0
- -5.0592 1.3809 -0.0191 C 0 0 0
- -6.1724 1.8370 -0.6147 O 0 0 0
- -4.7964 1.7195 1.1105 O 0 0 0
- 8.8912 0.2105 0.0368 N 0 0 0
- 17.5213 0.8985 -0.1797 O 0 0 0
- -1.5351 -0.0737 0.0000 H 0 0 0
- -2.1047 0.4590 0.0000 H 0 0 0
- -3.0090 1.0084 0.0000 H 0 0 0
- -3.6779 -2.0727 0.0000 H 0 0 0
- -2.2974 -2.9001 0.0000 H 0 0 0
- -4.9861 0.0682 0.0000 H 0 0 0
- -4.0818 -0.4811 0.0000 H 0 0 0
- 1.0313 0.0423 0.0000 H 0 0 0
- -7.0323 2.1893 0.0000 H 0 0 0
- 8.4266 1.0153 0.0000 H 0 0 0
- 8.4266 -0.5943 0.0000 H 0 0 0
- 9.8204 0.2105 0.0000 H 0 0 0
- 16.5921 0.8985 0.0000 H 0 0 0
- 18.4505 0.8985 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6112-76-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3771 -0.3926 -0.0460 C 0 0 0
- -2.3391 0.5722 -0.3854 C 0 0 0
- -0.1531 0.0364 0.4731 C 0 0 0
- -1.9397 -1.6153 -0.3445 N 0 0 0
- -2.0464 1.8636 -0.1975 N 0 0 0
- -3.4105 -0.0936 -0.8559 N 0 0 0
- 0.0497 1.3433 0.6242 N 0 0 0
- 1.0942 -1.1261 0.9173 S 0 0 0
- -3.1761 -1.3763 -0.8367 C 0 0 0
- -0.8811 2.2205 0.2951 C 0 0 0
- 10.1904 0.1489 -0.7853 O 0 0 0
- -1.4931 -2.4853 0.0000 H 0 0 0
- 1.8096 -1.7929 0.0000 H 0 0 0
- -3.8711 -2.0643 0.0000 H 0 0 0
- -0.6588 3.1729 0.0000 H 0 0 0
- 9.2124 0.1489 0.0000 H 0 0 0
- 11.1684 0.1489 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 9 2 0
- 7 10 1 0
- 4 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-11-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 1.0171 0.0005 -0.0012 C 0 0 0
- -0.1564 0.9459 0.0016 C 0 0 0
- 2.2691 0.4846 -0.0004 O 0 0 0
- 0.8311 -1.1934 0.0008 O 0 0 0
- -1.6908 -0.0008 -0.0003 Cl 0 0 0
- 0.6037 1.6969 0.0000 H 0 0 0
- -0.8166 1.7860 0.0000 H 0 0 0
- 3.2657 0.8699 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80830-42-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 1.0519 1.1629 -0.9490 C 0 0 1
- 1.0817 -0.2859 -0.6718 N 0 0 0
- -0.0842 1.7967 -0.1883 C 0 0 0
- 2.6566 1.7533 -0.2613 S 0 0 0
- 2.3271 -0.8072 -0.1157 C 0 0 1
- 0.0216 -1.0812 -0.9170 C 0 0 0
- -1.3606 1.8104 -0.7310 C 0 0 0
- 0.1437 2.3595 1.0528 C 0 0 0
- 3.0292 0.2641 0.7699 C 0 0 0
- 2.0335 -2.0306 0.7138 C 0 0 0
- -1.1002 -1.1719 0.0853 C 0 0 0
- -0.0296 -1.7239 -1.9442 O 0 0 0
- -2.4045 2.3948 -0.0281 C 0 0 0
- -1.5883 1.2530 -1.9493 O 0 0 0
- -0.8981 2.9410 1.7511 C 0 0 0
- 2.3136 -3.2515 0.2315 O 0 0 0
- 1.5459 -1.9125 1.8130 O 0 0 0
- -2.2685 -1.9480 -0.5259 C 0 0 0
- -2.1704 2.9611 1.2097 C 0 0 0
- -3.6188 -2.0572 0.6806 S 0 0 0
- 1.1264 2.1143 0.0000 H 0 0 0
- 3.2032 -1.1857 0.0000 H 0 0 0
- 1.0439 2.6764 0.0000 H 0 0 0
- 3.6742 -0.4393 0.0000 H 0 0 0
- 3.8696 0.7163 0.0000 H 0 0 0
- -0.8416 -0.2532 0.0000 H 0 0 0
- -1.8717 -0.6101 0.0000 H 0 0 0
- -3.3060 2.0817 0.0000 H 0 0 0
- -1.9492 0.3695 0.0000 H 0 0 0
- -0.6505 3.8627 0.0000 H 0 0 0
- 2.5270 -4.1817 0.0000 H 0 0 0
- -2.5271 -2.8667 0.0000 H 0 0 0
- -1.4970 -2.5098 0.0000 H 0 0 0
- -2.6946 3.7586 0.0000 H 0 0 0
- -4.5700 -2.1341 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 10 17 2 0
- 11 18 1 0
- 13 19 2 0
- 18 20 1 0
- 5 9 1 0
- 15 19 1 0
- 1 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.2589 -0.0093 -0.5818 C 0 0 0
- -0.8388 -0.7850 0.1492 C 0 0 0
- -0.8157 0.6838 0.1412 N 0 0 0
- 1.5314 -0.0034 0.2678 C 0 0 0
- 0.5346 0.9348 0.0000 H 0 0 0
- -1.8038 -0.9752 0.0000 H 0 0 0
- -0.4514 -1.6890 0.0000 H 0 0 0
- -1.2796 1.5511 0.0000 H 0 0 0
- 1.5360 -0.9870 0.0000 H 0 0 0
- 2.5150 0.0012 0.0000 H 0 0 0
- 1.5268 0.9802 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 3 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98046-73-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.1157 -0.4258 -0.0004 C 0 0 0
- -1.4970 -0.4537 -0.0004 N 0 0 0
- 0.2483 0.9345 0.0005 C 0 0 0
- 0.8130 -1.3689 0.0038 N 0 0 0
- -1.9324 0.8480 0.0005 C 0 0 0
- -2.3933 -1.4833 -0.0015 C 0 0 0
- -0.8851 1.6598 0.0010 N 0 0 0
- 1.6085 1.2733 0.0003 C 0 0 0
- 2.0960 -1.0771 0.0026 C 0 0 0
- -3.3189 1.1155 0.0003 C 0 0 0
- -3.7208 -1.2412 -0.0017 C 0 0 0
- 2.5379 0.2449 -0.0008 C 0 0 0
- -4.1993 0.0797 -0.0008 C 0 0 0
- 3.9071 0.5312 -0.0011 N 0 0 0
- 4.8511 -0.5242 -0.0022 O 0 0 0
- -2.0506 -2.4612 0.0000 H 0 0 0
- 1.9107 2.2645 0.0000 H 0 0 0
- 2.7916 -1.8451 0.0000 H 0 0 0
- -3.6624 2.0931 0.0000 H 0 0 0
- -4.3898 -2.0325 0.0000 H 0 0 0
- -5.2190 0.2636 0.0000 H 0 0 0
- 4.2306 1.5156 0.0000 H 0 0 0
- 5.5419 -1.2965 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 5 7 2 0
- 9 12 1 0
- 11 13 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27602-80-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.7672 0.4697 0.5137 C 0 0 0
- 0.1230 -0.7454 0.3697 C 0 0 0
- 2.2420 0.5070 0.8214 C 0 0 0
- 0.0627 1.6501 0.3703 C 0 0 0
- -1.2326 -0.7814 0.0868 C 0 0 0
- 3.0354 0.5308 -0.4865 C 0 0 0
- -1.2895 1.6213 0.0822 C 0 0 0
- -1.9433 0.4074 -0.0519 C 0 0 0
- -1.8675 -1.9756 -0.0555 O 0 0 0
- 4.5327 0.5687 -0.1741 C 0 0 0
- 3.8625 -0.6320 -0.5631 O 0 0 0
- -3.2742 0.3772 -0.3296 O 0 0 0
- -0.8833 -2.9927 0.1413 C 0 0 0
- -3.7103 1.7357 -0.4098 C 0 0 0
- 0.6665 -1.6221 0.0000 H 0 0 0
- 1.7504 -0.3998 0.0000 H 0 0 0
- 2.7829 -0.3713 0.0000 H 0 0 0
- 0.5624 2.5525 0.0000 H 0 0 0
- 3.0069 1.5619 0.0000 H 0 0 0
- -1.8278 2.5012 0.0000 H 0 0 0
- 5.5082 0.2335 0.0000 H 0 0 0
- 4.6897 1.5882 0.0000 H 0 0 0
- -1.6246 -3.7100 0.0000 H 0 0 0
- -0.1660 -3.7340 0.0000 H 0 0 0
- -0.1420 -2.2754 0.0000 H 0 0 0
- -2.7282 2.0510 0.0000 H 0 0 0
- -4.0256 2.7178 0.0000 H 0 0 0
- -4.6924 1.4204 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 7 8 2 0
- 10 11 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.3551 0.7482 -0.0027 C 0 0 0
- -0.4727 -0.6604 -0.0009 C 0 0 0
- 0.9151 1.2035 -0.0022 N 0 0 0
- -1.5633 1.4800 0.0007 C 0 0 0
- 1.2259 -1.1755 0.0014 S 0 0 0
- -1.6895 -1.2982 -0.0011 C 0 0 0
- 1.9450 0.4049 -0.0002 C 0 0 0
- -2.7634 0.8392 0.0055 C 0 0 0
- -2.8491 -0.5462 -0.0032 C 0 0 0
- 3.4081 0.7662 0.0007 C 0 0 0
- -1.5351 2.5207 0.0000 H 0 0 0
- -1.7376 -2.3381 0.0000 H 0 0 0
- -3.6392 1.4019 0.0000 H 0 0 0
- -3.7787 -1.0147 0.0000 H 0 0 0
- 3.6577 -0.2445 0.0000 H 0 0 0
- 4.4188 1.0158 0.0000 H 0 0 0
- 3.1585 1.7769 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 5 7 1 0
- 8 9 1 0
- 4 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-196-77-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- -0.5714 -0.0308 0.0074 C 0 0 0
- 0.0620 -1.3033 0.0076 C 0 0 0
- 0.1636 1.1785 0.0067 C 0 0 0
- -1.9798 0.0320 0.0020 C 0 0 0
- 1.4689 -1.3826 -0.0002 C 0 0 0
- -0.7243 -2.4750 0.0160 C 0 0 0
- 1.6240 1.0952 0.0042 C 0 0 0
- -0.5057 2.4112 0.0064 C 0 0 0
- -2.7391 -1.1600 0.0006 C 0 0 0
- -2.6305 1.2860 -0.0026 C 0 0 0
- 2.1875 -0.1809 -0.0004 C 0 0 0
- 2.4678 -2.4462 -0.0101 C 0 0 0
- -2.0759 -2.4108 0.0168 C 0 0 0
- 2.4950 2.1884 0.0060 C 0 0 0
- -1.8621 2.4712 0.0040 C 0 0 0
- -4.1341 -1.0783 -0.0092 C 0 0 0
- -4.0311 1.3273 -0.0131 C 0 0 0
- 3.5681 -0.4305 -0.0071 C 0 0 0
- 3.7098 -1.8851 -0.0146 C 0 0 0
- 3.8591 1.9576 0.0008 C 0 0 0
- -4.7588 0.1555 -0.0158 C 0 0 0
- 4.4069 0.6807 -0.0055 C 0 0 0
- -0.2515 -3.4148 0.0000 H 0 0 0
- 0.0520 3.3032 0.0000 H 0 0 0
- 2.2627 -3.4780 0.0000 H 0 0 0
- -2.6395 -3.2991 0.0000 H 0 0 0
- 2.1193 3.1710 0.0000 H 0 0 0
- -2.3439 3.4064 0.0000 H 0 0 0
- -4.7109 -1.9581 0.0000 H 0 0 0
- -4.5288 2.2541 0.0000 H 0 0 0
- 4.6203 -2.4121 0.0000 H 0 0 0
- 4.5096 2.7844 0.0000 H 0 0 0
- -5.8098 0.2013 0.0000 H 0 0 0
- 5.4513 0.5541 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 14 20 2 0
- 16 21 1 0
- 18 22 2 0
- 7 11 2 0
- 9 13 1 0
- 10 15 1 0
- 17 21 2 0
- 18 19 1 0
- 20 22 1 0
- 6 23 1 0
- 8 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38915-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 61 60 1 V2000
- -4.9972 -1.6267 -0.5960 C 0 0 0
- -5.6864 -2.0100 0.5741 C 0 0 0
- -3.9119 -2.4194 -1.0068 C 0 0 0
- -5.3801 -0.5128 -1.3169 N 0 0 0
- -5.2724 -3.1614 1.2881 C 0 0 0
- -6.7277 -1.2877 1.0082 N 0 0 0
- -3.5490 -3.5946 -0.2109 C 0 0 0
- -3.1670 -2.1156 -2.1591 C 0 0 0
- -4.8063 0.6522 -0.6302 C 0 0 0
- -4.2408 -3.8997 0.8828 N 0 0 0
- -5.9820 -3.5232 2.4592 C 0 0 0
- -7.3869 -1.6214 2.0937 C 0 0 0
- -2.4591 -4.3814 -0.6330 C 0 0 0
- -2.1260 -2.9159 -2.5131 C 0 0 0
- -5.1937 1.9282 -1.3802 C 0 0 0
- -7.0307 -2.7492 2.8478 C 0 0 0
- -8.4344 -0.8589 2.4946 O 0 0 0
- -1.7766 -4.0351 -1.7576 C 0 0 0
- -4.5960 3.1415 -0.6651 C 0 0 0
- -8.5588 0.2033 1.5469 C 0 0 0
- -0.4353 -5.0127 -2.2664 Cl 0 0 0
- -4.9680 4.3667 -1.3852 N 0 0 0
- -9.7291 1.1058 1.9429 C 0 0 0
- -4.3659 5.4874 -0.6507 C 0 0 0
- -9.8622 2.2431 0.9282 C 0 0 0
- -4.7156 6.8023 -1.3504 C 0 0 0
- -11.0325 3.1455 1.3242 C 0 0 0
- -3.9767 8.1778 -0.4489 Cl 0 0 0
- 12.2823 -0.3299 0.9639 O 0 0 0
- 20.9169 0.2561 0.6489 Cl 0 0 0
- 29.5516 0.8420 0.3339 Cl 0 0 0
- -6.3310 -0.4525 0.0000 H 0 0 0
- -3.0396 -1.1714 0.0000 H 0 0 0
- -4.0966 0.0165 0.0000 H 0 0 0
- -4.0029 1.1644 0.0000 H 0 0 0
- -6.0602 -4.4728 0.0000 H 0 0 0
- -2.5332 -5.3313 0.0000 H 0 0 0
- -1.3445 -2.3709 0.0000 H 0 0 0
- -5.9034 2.5639 0.0000 H 0 0 0
- -5.9971 1.4160 0.0000 H 0 0 0
- -7.8059 -3.3032 0.0000 H 0 0 0
- -3.8863 2.5058 0.0000 H 0 0 0
- -3.7926 3.6537 0.0000 H 0 0 0
- -7.6155 0.0692 0.0000 H 0 0 0
- -8.1886 1.0812 0.0000 H 0 0 0
- -5.9161 4.4610 0.0000 H 0 0 0
- -10.6724 1.2400 0.0000 H 0 0 0
- -10.0994 0.2279 0.0000 H 0 0 0
- -3.6790 4.8271 0.0000 H 0 0 0
- -3.5451 5.9712 0.0000 H 0 0 0
- -8.9189 2.1089 0.0000 H 0 0 0
- -9.4920 3.1210 0.0000 H 0 0 0
- -5.4025 7.4625 0.0000 H 0 0 0
- -5.5364 6.3185 0.0000 H 0 0 0
- -10.4507 3.9000 0.0000 H 0 0 0
- -11.7870 3.7273 0.0000 H 0 0 0
- -11.6143 2.3910 0.0000 H 0 0 0
- 11.3295 -0.3299 0.0000 H 0 0 0
- 13.2351 -0.3299 0.0000 H 0 0 0
- 21.8697 0.2561 0.0000 H 0 0 0
- 30.5044 0.8420 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 15 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 7 10 2 0
- 12 16 1 0
- 14 18 1 0
- 4 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 11 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 20 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 27 55 1 0
- 27 56 1 0
- 27 57 1 0
- 29 58 1 0
- 29 59 1 0
- 30 60 1 0
- 31 61 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77094-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.2735 -0.6424 -0.0014 C 0 0 0
- -1.1841 -0.5641 -0.0006 C 0 0 0
- 1.0073 0.5477 -0.0010 C 0 0 0
- 1.1544 -1.6612 0.0028 N 0 0 0
- -1.8034 0.7092 0.0006 C 0 0 0
- -1.9835 -1.7144 -0.0014 C 0 0 0
- 0.3522 1.7803 0.0006 C 0 0 0
- 2.3415 0.1750 -0.0020 N 0 0 0
- 2.3777 -1.1882 -0.0005 C 0 0 0
- -1.0024 1.8670 0.0010 C 0 0 0
- -3.1374 0.7959 0.0010 N 0 0 0
- -3.3432 -1.5564 -0.0010 C 0 0 0
- 1.1693 3.0465 0.0010 C 0 0 0
- 3.4965 1.0761 -0.0020 C 0 0 0
- 3.5258 -1.9530 0.0022 N 0 0 0
- -3.8912 -0.2777 0.0002 C 0 0 0
- -1.5553 -2.6634 0.0000 H 0 0 0
- -1.4561 2.8041 0.0000 H 0 0 0
- -3.9656 -2.3910 0.0000 H 0 0 0
- 2.0441 2.4820 0.0000 H 0 0 0
- 1.7338 3.9213 0.0000 H 0 0 0
- 0.2945 3.6110 0.0000 H 0 0 0
- 4.1369 0.2552 0.0000 H 0 0 0
- 4.3174 1.7165 0.0000 H 0 0 0
- 2.8561 1.8970 0.0000 H 0 0 0
- 3.4592 -2.9920 0.0000 H 0 0 0
- 4.4589 -1.4912 0.0000 H 0 0 0
- -4.9268 -0.1700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 6 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1028-11-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.3043 -1.0222 -0.1279 C 0 0 0
- -1.2884 -1.7690 -0.2288 S 0 0 0
- 1.1964 -1.4259 0.8476 C 0 0 0
- 0.6638 -0.0363 -1.0280 C 0 0 0
- -2.3123 -0.8822 0.7239 N 0 0 0
- -1.7277 -1.5626 -1.5643 O 0 0 0
- -1.1636 -3.0322 0.4100 O 0 0 0
- 2.4461 -0.8399 0.9268 C 0 0 0
- 1.9131 0.5495 -0.9489 C 0 0 0
- -2.5213 0.4651 0.4532 C 0 0 0
- 2.8033 0.1497 0.0305 C 0 0 0
- -3.3827 1.2042 1.2573 C 0 0 0
- -1.8946 1.0348 -0.5648 N 0 0 0
- 4.1413 0.7771 0.1153 N 0 3 0
- -3.5815 2.5441 0.9765 C 0 0 0
- -2.0650 2.3104 -0.8558 C 0 0 0
- 4.4561 1.6492 -0.6746 O 0 0 0
- 4.9274 0.4213 0.9749 O 0 5 0
- -2.9098 3.1017 -0.1030 C 0 0 0
- 1.2022 -2.2856 0.0000 H 0 0 0
- 0.0295 0.5440 0.0000 H 0 0 0
- -3.0645 -1.2985 0.0000 H 0 0 0
- 3.0813 -1.4192 0.0000 H 0 0 0
- 1.9061 1.4092 0.0000 H 0 0 0
- -4.1353 0.7887 0.0000 H 0 0 0
- -4.3845 2.8512 0.0000 H 0 0 0
- -1.3006 2.7039 0.0000 H 0 0 0
- -2.8841 3.9610 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 9 11 1 0
- 16 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 15 26 1 0
- 16 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2564-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 0.0034 -0.6508 -0.4562 N 0 0 0
- -1.2355 -0.0085 -0.0779 C 0 0 0
- 1.2341 0.0066 -0.0780 C 0 0 0
- 0.0114 -1.9899 0.1331 O 0 0 0
- -1.2406 1.4901 -0.3896 C 0 0 0
- -2.3758 -0.6485 -0.9030 C 0 0 0
- -1.5731 -0.2227 1.3994 C 0 0 0
- 1.2265 1.5129 -0.3265 C 0 0 0
- 1.6027 -0.2666 1.3843 C 0 0 0
- 2.3705 -0.5895 -0.9439 C 0 0 0
- -0.0279 2.1364 0.2900 C 0 0 0
- 0.0176 -3.0205 0.0000 H 0 0 0
- -1.5722 2.4659 0.0000 H 0 0 0
- -2.2571 1.3203 0.0000 H 0 0 0
- -2.8802 0.2502 0.0000 H 0 0 0
- -3.2745 -1.1529 0.0000 H 0 0 0
- -1.8714 -1.5472 0.0000 H 0 0 0
- -2.1253 0.6475 0.0000 H 0 0 0
- -2.4433 -0.7749 0.0000 H 0 0 0
- -1.0209 -1.0929 0.0000 H 0 0 0
- 2.2455 1.3585 0.0000 H 0 0 0
- 1.5368 2.4957 0.0000 H 0 0 0
- 0.9890 -1.0946 0.0000 H 0 0 0
- 2.4307 -0.8803 0.0000 H 0 0 0
- 2.2164 0.5614 0.0000 H 0 0 0
- 1.8918 -1.5022 0.0000 H 0 0 0
- 3.2832 -1.0682 0.0000 H 0 0 0
- 2.8492 0.3232 0.0000 H 0 0 0
- 0.6104 2.9456 0.0000 H 0 0 0
- -0.6889 2.9271 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 8 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25081-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.0573 -0.3936 0.1520 N 0 0 0
- -1.0790 0.4263 0.8079 C 0 0 0
- 0.8703 0.2175 -0.8031 C 0 0 0
- 0.0290 -1.6526 0.4196 N 0 0 0
- -2.3343 0.4265 -0.0259 C 0 0 0
- 2.0934 0.7079 -0.0720 C 0 0 0
- 0.8784 -2.3342 -0.1257 O 0 0 0
- -3.4109 1.1166 0.3821 O 0 0 0
- -2.3717 -0.1945 -1.0617 O 0 0 0
- 3.0852 1.3069 -0.7496 O 0 0 0
- 2.1812 0.5620 1.1242 O 0 0 0
- -0.3300 0.9347 0.0000 H 0 0 0
- -1.3448 1.2916 0.0000 H 0 0 0
- 0.9383 1.1202 0.0000 H 0 0 0
- 0.0901 0.6765 0.0000 H 0 0 0
- -4.1730 1.6051 0.0000 H 0 0 0
- 3.8601 1.7749 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3420-97-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.0193 -0.4418 0.0026 C 0 0 0
- -0.2284 -1.5913 0.0010 C 0 0 0
- -0.4281 0.8226 0.0027 C 0 0 0
- -2.3688 -0.5536 -0.0016 O 0 0 0
- 1.1297 -1.4887 -0.0004 C 0 0 0
- 0.9280 0.9448 0.0013 C 0 0 0
- -2.8934 0.7756 0.0014 C 0 0 0
- 1.7371 -0.2134 -0.0003 C 0 0 0
- -4.4224 0.7205 -0.0032 C 0 0 0
- 3.0655 -0.1034 -0.0013 N 0 0 0
- 3.5853 0.9981 -0.0012 O 0 0 0
- -0.6802 -2.5352 0.0000 H 0 0 0
- -1.0290 1.6794 0.0000 H 0 0 0
- 1.7213 -2.3519 0.0000 H 0 0 0
- 1.3695 1.8936 0.0000 H 0 0 0
- -1.8828 1.0473 0.0000 H 0 0 0
- -3.0491 1.8104 0.0000 H 0 0 0
- -4.4601 1.7663 0.0000 H 0 0 0
- -5.4682 0.6828 0.0000 H 0 0 0
- -4.3847 -0.3253 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 10 11 2 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118517-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 95101 1 V2000
- 1.5933 -0.2108 0.5509 C 0 0 1
- 1.8158 0.8109 -0.4869 N 0 0 0
- 1.1575 1.2192 0.7620 C 0 0 1
- 0.5499 -1.2869 0.2525 C 0 0 1
- 2.8450 -0.7274 1.2730 C 0 0 0
- 3.1227 1.1952 -0.3855 N 0 0 0
- -0.2946 1.5737 0.5924 C 0 0 0
- -0.5883 -0.6586 -0.5589 C 0 0 2
- 1.2096 -2.4084 -0.5524 C 0 0 0
- -0.0031 -1.8434 1.5661 C 0 0 0
- 3.4449 -1.8697 0.4463 C 0 0 2
- 4.1433 0.5997 -1.0286 C 0 0 0
- 3.5579 2.2226 0.3659 C 0 0 0
- -1.2415 0.4294 0.2996 C 0 0 2
- -1.5731 -1.7619 -0.9398 C 0 0 0
- 2.3969 -2.9631 0.2384 C 0 0 0
- 4.5902 -2.4238 1.1459 O 0 0 0
- 5.3968 1.2954 -0.6687 C 0 0 0
- 4.0503 -0.3508 -1.7788 O 0 0 0
- 5.0249 2.3266 0.2173 C 0 0 0
- 2.8620 2.9442 1.0514 O 0 0 0
- -2.4547 0.9483 -0.4544 C 0 0 1
- -2.8504 -1.2020 -1.5818 C 0 0 0
- 5.6052 -2.9615 0.4513 C 0 0 0
- 6.7285 1.1309 -1.0144 C 0 0 0
- 5.9929 3.1706 0.7376 C 0 0 0
- -3.4561 -0.2295 -0.5863 C 0 0 2
- -3.2972 1.9919 0.2870 C 0 0 0
- 6.7939 -3.5366 1.1774 C 0 0 0
- 5.5658 -2.9844 -0.7561 O 0 0 0
- 7.6863 1.9805 -0.4833 C 0 0 0
- 7.3215 2.9923 0.3850 C 0 0 0
- -4.7478 0.4572 -1.0204 C 0 0 2
- -3.6529 -0.9054 0.7721 C 0 0 0
- -4.6806 1.8795 -0.4104 C 0 0 0
- -5.9458 -0.2928 -0.4346 C 0 0 1
- -7.2034 0.5675 -0.5731 C 0 0 0
- -6.1425 -1.6088 -1.1898 C 0 0 0
- -8.4014 -0.1825 0.0127 C 0 0 0
- -9.6591 0.6778 -0.1258 C 0 0 0
- -10.8571 -0.0722 0.4600 C 0 0 0
- -10.6008 -0.3663 1.9395 C 0 0 0
- -12.1147 0.7882 0.3215 C 0 0 0
- 1.5436 2.1394 0.0000 H 0 0 0
- 3.8246 -0.5371 0.0000 H 0 0 0
- 2.9444 0.2656 0.0000 H 0 0 0
- 0.0849 2.4967 0.0000 H 0 0 0
- -1.1502 2.0874 0.0000 H 0 0 0
- 0.1044 0.0598 0.0000 H 0 0 0
- 0.2333 -2.6153 0.0000 H 0 0 0
- 1.0959 -3.3999 0.0000 H 0 0 0
- -0.7110 -1.1400 0.0000 H 0 0 0
- -0.7065 -2.5513 0.0000 H 0 0 0
- 0.7048 -2.5468 0.0000 H 0 0 0
- 4.1388 -1.1525 0.0000 H 0 0 0
- -1.8974 -0.3228 0.0000 H 0 0 0
- -2.0675 -2.6288 0.0000 H 0 0 0
- -0.7629 -2.3446 0.0000 H 0 0 0
- 1.8786 -3.8159 0.0000 H 0 0 0
- 3.1882 -3.5711 0.0000 H 0 0 0
- -1.8524 1.7440 0.0000 H 0 0 0
- -3.8212 -1.4331 0.0000 H 0 0 0
- -2.9398 -2.1959 0.0000 H 0 0 0
- 7.0247 0.1779 0.0000 H 0 0 0
- 5.7058 4.1264 0.0000 H 0 0 0
- -2.4119 2.4526 0.0000 H 0 0 0
- -3.5734 2.9509 0.0000 H 0 0 0
- 6.3593 -4.4349 0.0000 H 0 0 0
- 7.6922 -3.9712 0.0000 H 0 0 0
- 7.2285 -2.6383 0.0000 H 0 0 0
- 8.6533 1.7340 0.0000 H 0 0 0
- 7.9483 3.7689 0.0000 H 0 0 0
- -5.6092 0.9611 0.0000 H 0 0 0
- -4.6111 -0.6264 0.0000 H 0 0 0
- -3.9319 -1.8636 0.0000 H 0 0 0
- -2.6947 -1.1844 0.0000 H 0 0 0
- -4.7188 2.8767 0.0000 H 0 0 0
- -5.6786 1.8839 0.0000 H 0 0 0
- -5.1110 -0.8396 0.0000 H 0 0 0
- -6.5326 1.3064 0.0000 H 0 0 0
- -7.8436 1.3330 0.0000 H 0 0 0
- -7.1295 -1.4613 0.0000 H 0 0 0
- -6.2900 -2.5958 0.0000 H 0 0 0
- -5.1555 -1.7563 0.0000 H 0 0 0
- -9.0722 -0.9214 0.0000 H 0 0 0
- -7.7612 -0.9480 0.0000 H 0 0 0
- -8.9883 1.4167 0.0000 H 0 0 0
- -10.2993 1.4433 0.0000 H 0 0 0
- -11.5204 -0.8179 0.0000 H 0 0 0
- -11.3532 -1.0220 0.0000 H 0 0 0
- -9.9451 -1.1187 0.0000 H 0 0 0
- -9.8484 0.2894 0.0000 H 0 0 0
- -11.5512 1.6118 0.0000 H 0 0 0
- -12.9383 1.3517 0.0000 H 0 0 0
- -12.6782 -0.0354 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 2 0
- 13 20 1 0
- 13 21 2 0
- 14 22 1 0
- 15 23 1 0
- 17 24 1 0
- 18 25 1 0
- 20 26 1 0
- 22 27 1 0
- 22 28 1 0
- 24 29 1 0
- 24 30 2 0
- 25 31 2 0
- 26 32 2 0
- 27 33 1 0
- 27 34 1 0
- 28 35 1 0
- 33 36 1 0
- 36 37 1 0
- 36 38 1 0
- 37 39 1 0
- 39 40 1 0
- 40 41 1 0
- 41 42 1 0
- 41 43 1 0
- 2 3 1 0
- 8 14 1 0
- 11 16 1 0
- 18 20 2 0
- 23 27 1 0
- 31 32 1 0
- 33 35 1 0
- 3 44 1 0
- 5 45 1 0
- 5 46 1 0
- 7 47 1 0
- 7 48 1 0
- 8 49 1 0
- 9 50 1 0
- 9 51 1 0
- 10 52 1 0
- 10 53 1 0
- 10 54 1 0
- 11 55 1 0
- 14 56 1 0
- 15 57 1 0
- 15 58 1 0
- 16 59 1 0
- 16 60 1 0
- 22 61 1 0
- 23 62 1 0
- 23 63 1 0
- 25 64 1 0
- 26 65 1 0
- 28 66 1 0
- 28 67 1 0
- 29 68 1 0
- 29 69 1 0
- 29 70 1 0
- 31 71 1 0
- 32 72 1 0
- 33 73 1 0
- 34 74 1 0
- 34 75 1 0
- 34 76 1 0
- 35 77 1 0
- 35 78 1 0
- 36 79 1 0
- 37 80 1 0
- 37 81 1 0
- 38 82 1 0
- 38 83 1 0
- 38 84 1 0
- 39 85 1 0
- 39 86 1 0
- 40 87 1 0
- 40 88 1 0
- 41 89 1 0
- 42 90 1 0
- 42 91 1 0
- 42 92 1 0
- 43 93 1 0
- 43 94 1 0
- 43 95 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68041-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 44 1 V2000
- -2.4480 0.0831 -0.4130 C 0 0 0
- -3.4499 1.0600 -0.5519 C 0 0 0
- -1.0633 0.4923 -0.1729 C 0 0 0
- -2.7836 -1.2797 -0.4999 C 0 0 0
- -3.1215 2.4308 -0.4596 C 0 0 0
- -4.7854 0.6575 -0.7837 C 0 0 0
- -0.0766 -0.4699 -0.0366 C 0 0 0
- -0.7561 1.9202 -0.0831 C 0 0 0
- -1.7181 -2.2691 -0.3508 C 0 0 0
- -4.1210 -1.6561 -0.7251 C 0 0 0
- -1.7389 2.8366 -0.2200 C 0 0 0
- -4.1375 3.3782 -0.6015 C 0 0 0
- -5.0912 -0.7191 -0.8716 C 0 0 0
- -5.7747 1.6388 -0.9202 C 0 0 0
- -0.3870 -1.8367 -0.1256 C 0 0 0
- 1.3480 -0.0449 0.2100 C 0 0 0
- -1.9961 -3.6394 -0.4276 C 0 0 0
- -5.4406 2.9738 -0.8283 C 0 0 0
- 0.6290 -2.8029 0.0156 C 0 0 0
- 1.5792 0.0530 1.6168 O 0 0 0
- -0.9876 -4.5453 -0.2850 C 0 0 0
- 0.3231 -4.1256 -0.0715 C 0 0 0
- 3.0280 0.4836 1.7956 S 0 0 0
- 3.2336 0.5739 3.1987 O 0 0 0
- 3.7838 -0.3244 0.9039 O 0 0 0
- 3.1484 1.9060 1.2676 O 0 0 0
- 12.4577 0.8798 -3.0818 Na 0 3 0
- 0.2432 2.2339 0.0000 H 0 0 0
- -4.3769 -2.6718 0.0000 H 0 0 0
- -1.4976 3.8558 0.0000 H 0 0 0
- -3.9040 4.3992 0.0000 H 0 0 0
- -6.0942 -1.0207 0.0000 H 0 0 0
- -6.7836 1.3573 0.0000 H 0 0 0
- 1.1432 -1.0721 0.0000 H 0 0 0
- 2.1601 -0.7064 0.0000 H 0 0 0
- -2.9905 -3.9683 0.0000 H 0 0 0
- -6.2016 3.6935 0.0000 H 0 0 0
- 1.6322 -2.5018 0.0000 H 0 0 0
- -1.2069 -5.5695 0.0000 H 0 0 0
- 1.0937 -4.8350 0.0000 H 0 0 0
- 3.2367 2.9497 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 1 0
- 17 21 2 0
- 19 22 2 0
- 20 23 1 0
- 23 24 2 0
- 23 25 2 0
- 23 26 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 18 1 0
- 21 22 1 0
- 8 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 21 39 1 0
- 22 40 1 0
- 26 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61421-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.8545 0.0017 -0.7730 C 0 0 0
- 1.4492 -1.2068 -0.3582 C 0 0 0
- 1.4560 1.2060 -0.3563 C 0 0 0
- -0.2740 0.0056 -1.5642 N 0 0 0
- 2.6145 -1.1689 0.4516 C 0 0 0
- 0.9049 -2.4461 -0.7357 C 0 0 0
- 2.6212 1.1601 0.4536 C 0 0 0
- 0.9182 2.4490 -0.7310 C 0 0 0
- -1.5423 0.0057 -0.9738 C 0 0 0
- 3.1487 -0.0061 0.8221 N 0 0 0
- 3.1993 -2.3853 0.8595 C 0 0 0
- 1.4998 -3.5977 -0.3215 C 0 0 0
- 3.2129 2.3725 0.8635 C 0 0 0
- 1.5192 3.5964 -0.3140 C 0 0 0
- -2.6801 0.0096 -1.7709 C 0 0 0
- -1.6648 -0.0038 0.4096 C 0 0 0
- 2.6443 -3.5650 0.4751 C 0 0 0
- 2.6645 3.5559 0.4810 C 0 0 0
- -3.9313 0.0093 -1.1873 C 0 0 0
- -2.9172 -0.0042 0.9915 C 0 0 0
- -4.0526 0.0050 0.1948 C 0 0 0
- -5.2853 0.0052 0.7687 O 0 0 0
- -5.0824 0.0003 2.1832 C 0 0 0
- -0.2723 0.9509 0.0000 H 0 0 0
- -0.0399 -2.4759 0.0000 H 0 0 0
- -0.0264 2.4840 0.0000 H 0 0 0
- 4.1446 -2.3813 0.0000 H 0 0 0
- 1.0197 -4.4120 0.0000 H 0 0 0
- 4.1581 2.3630 0.0000 H 0 0 0
- 1.0442 4.4137 0.0000 H 0 0 0
- -2.6786 0.9549 0.0000 H 0 0 0
- -1.6281 -0.9483 0.0000 H 0 0 0
- 3.1622 -4.3558 0.0000 H 0 0 0
- 3.1873 4.3434 0.0000 H 0 0 0
- -3.9482 0.9544 0.0000 H 0 0 0
- -2.9209 -0.9495 0.0000 H 0 0 0
- -5.1052 -0.9447 0.0000 H 0 0 0
- -4.1374 -0.0225 0.0000 H 0 0 0
- -5.0596 0.9453 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 21 22 1 0
- 22 23 1 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 20 21 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 23 37 1 0
- 23 38 1 0
- 23 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75605-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.3115 1.0417 -0.2479 C 0 0 0
- -3.1274 0.0276 0.3112 C 0 0 0
- -1.0334 0.7554 -0.6558 N 0 3 0
- -2.8163 2.3318 -0.3740 C 0 0 0
- -2.6296 -1.2711 0.4476 C 0 0 0
- -4.4450 0.3422 0.7275 C 0 0 0
- -0.5267 -0.5123 -0.5295 C 0 0 0
- -0.2018 1.8146 -1.2326 C 0 0 0
- -4.0992 2.6197 0.0416 C 0 0 0
- -1.3177 -1.5460 0.0231 C 0 0 0
- -4.9130 1.6348 0.5810 C 0 0 0
- -5.2569 -0.6369 1.2759 N 0 0 0
- 0.7732 -0.7973 -0.9461 C 0 0 0
- -0.7823 -2.8418 0.1450 C 0 0 0
- 1.2707 -2.0731 -0.8144 C 0 0 0
- 0.4907 -3.0896 -0.2711 C 0 0 0
- 10.8322 0.7387 0.4795 Cl 0 0 0
- -2.1639 3.0919 0.0000 H 0 0 0
- -3.2792 -2.0336 0.0000 H 0 0 0
- 0.5861 1.1960 0.0000 H 0 0 0
- 0.4168 2.6025 0.0000 H 0 0 0
- -0.9897 2.4332 0.0000 H 0 0 0
- -4.4235 3.5674 0.0000 H 0 0 0
- -5.9000 1.8058 0.0000 H 0 0 0
- -6.2444 -0.4687 0.0000 H 0 0 0
- -4.9088 -1.5762 0.0000 H 0 0 0
- 1.4242 -0.0360 0.0000 H 0 0 0
- -1.4165 -3.6171 0.0000 H 0 0 0
- 2.2624 -2.2142 0.0000 H 0 0 0
- 0.8455 -4.0264 0.0000 H 0 0 0
- 11.8339 0.7387 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 9 11 1 0
- 15 16 1 0
- 4 18 1 0
- 5 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108529-37-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.3095 0.0541 -0.0030 C 0 0 0
- -1.6669 -0.4834 -0.0015 C 0 0 0
- -0.1396 1.4422 -0.0005 C 0 0 0
- 0.9160 -0.5032 -0.0011 N 0 0 0
- -2.7611 0.4149 0.0023 C 0 0 0
- -1.9129 -1.8624 -0.0043 C 0 0 0
- 1.2269 1.6601 -0.0027 N 0 0 0
- -1.2501 2.2887 0.0029 C 0 0 0
- 1.8289 0.4369 -0.0039 C 0 0 0
- -2.5167 1.8017 0.0047 C 0 0 0
- -4.0093 -0.0632 0.0033 N 0 0 0
- -3.2144 -2.2866 -0.0032 C 0 0 0
- 1.9004 2.9611 -0.0018 C 0 0 0
- 3.1969 0.2208 -0.0024 N 0 0 0
- -4.2461 -1.3535 0.0007 C 0 0 0
- 3.6804 -1.0372 0.0018 C 0 0 0
- 5.1689 -1.2724 0.0035 C 0 0 0
- 2.9176 -1.9799 0.0043 O 0 0 0
- -1.1297 -2.5440 0.0000 H 0 0 0
- -1.1030 3.3165 0.0000 H 0 0 0
- -3.3181 2.4619 0.0000 H 0 0 0
- -3.4309 -3.3020 0.0000 H 0 0 0
- 2.8224 2.4838 0.0000 H 0 0 0
- 2.3777 3.8831 0.0000 H 0 0 0
- 0.9784 3.4384 0.0000 H 0 0 0
- 3.8500 1.0280 0.0000 H 0 0 0
- -5.2293 -1.6870 0.0000 H 0 0 0
- 5.0069 -2.2979 0.0000 H 0 0 0
- 6.1944 -1.4344 0.0000 H 0 0 0
- 5.3309 -0.2469 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 14 16 1 0
- 16 17 1 0
- 16 18 2 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-10-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.2733 0.3243 0.0463 C 0 0 0
- -1.2754 -1.0838 0.0231 C 0 0 0
- 0.0001 1.0517 0.2113 C 0 0 0
- -2.4768 1.0196 -0.0929 C 0 0 0
- -0.0001 -1.8194 0.1641 C 0 0 0
- -2.4742 -1.7696 -0.1323 C 0 0 0
- 1.2732 0.3244 0.0446 C 0 0 0
- 0.0002 2.2374 0.4813 O 0 0 0
- -3.6657 0.3128 -0.2532 C 0 0 0
- -2.4871 2.3754 -0.0726 O 0 0 0
- 1.2752 -1.0840 0.0216 C 0 0 0
- -0.0001 -3.0126 0.3944 O 0 0 0
- -3.6616 -1.0670 -0.2643 C 0 0 0
- 2.4769 1.0194 -0.0912 C 0 0 0
- 2.4734 -1.7698 -0.1355 C 0 0 0
- 3.6666 0.3122 -0.2479 C 0 0 0
- 2.4873 2.3751 -0.0710 O 0 0 0
- 3.6611 -1.0670 -0.2690 C 0 0 0
- -2.4818 -2.8062 0.0000 H 0 0 0
- -4.5675 0.8240 0.0000 H 0 0 0
- -2.4950 3.4120 0.0000 H 0 0 0
- -4.5613 -1.5818 0.0000 H 0 0 0
- 2.4809 -2.8064 0.0000 H 0 0 0
- 4.5686 0.8230 0.0000 H 0 0 0
- 2.4953 3.4117 0.0000 H 0 0 0
- 4.5606 -1.5823 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 2 0
- 11 15 2 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 7 11 1 0
- 9 13 1 0
- 16 18 2 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 13 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23445-00-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 54 1 V2000
- -0.8700 -0.9941 -0.7578 C 0 0 0
- -2.0523 -1.5209 -0.2141 C 0 0 0
- 0.2908 -1.7694 -0.8596 C 0 0 0
- -0.8776 0.4156 -1.1985 C 0 0 0
- -3.2063 -0.8473 -0.1626 O 0 0 0
- -2.0217 -2.8252 0.2795 C 0 0 0
- 1.4079 -1.2554 -1.4329 O 0 0 0
- 0.2905 -3.0637 -0.3718 C 0 0 0
- -2.0334 1.1933 -0.7006 C 0 0 0
- -0.0109 0.8943 -1.9078 O 0 0 0
- -3.1321 0.4884 -0.1914 C 0 0 0
- -0.8653 -3.5810 0.2026 C 0 0 0
- 2.1487 -0.6145 -0.3923 C 0 0 2
- -2.0227 2.5910 -0.7350 C 0 0 0
- -4.2113 1.2281 0.3107 C 0 0 0
- -0.8590 -4.8458 0.6950 O 0 0 0
- 1.4193 0.5146 0.0844 O 0 0 0
- 3.5060 -0.1630 -0.9362 C 0 0 1
- -3.1058 3.2950 -0.2367 C 0 0 0
- -0.9569 3.2536 -1.2533 O 0 0 0
- -4.1891 2.6083 0.2855 C 0 0 0
- -5.2907 0.5804 0.8271 O 0 0 0
- -0.4874 -4.7512 2.0715 C 0 0 0
- 2.0992 1.0133 1.2348 C 0 0 1
- 4.3058 0.4899 0.1969 C 0 0 2
- 4.2212 -1.2962 -1.4324 O 0 0 0
- 3.4525 1.5982 0.8241 C 0 0 2
- 1.2522 2.1028 1.8954 C 0 0 0
- 5.5068 1.0554 -0.3323 O 0 0 0
- 4.1176 2.1159 1.9781 O 0 0 0
- 0.0486 1.5262 2.4062 O 0 0 0
- -2.8782 -3.3017 0.0000 H 0 0 0
- 1.1130 -3.5968 0.0000 H 0 0 0
- 2.6333 -1.4665 0.0000 H 0 0 0
- 3.0336 0.6958 0.0000 H 0 0 0
- -3.1002 4.2751 0.0000 H 0 0 0
- -0.1245 3.7711 0.0000 H 0 0 0
- -5.0441 3.0876 0.0000 H 0 0 0
- -6.1312 0.0761 0.0000 H 0 0 0
- -0.2456 -5.7011 0.0000 H 0 0 0
- 0.4625 -4.5094 0.0000 H 0 0 0
- -0.7292 -3.8013 0.0000 H 0 0 0
- 2.5866 0.1629 0.0000 H 0 0 0
- 4.8284 -0.3393 0.0000 H 0 0 0
- 4.7443 -2.1251 0.0000 H 0 0 0
- 2.9530 2.4416 0.0000 H 0 0 0
- 2.0669 2.6477 0.0000 H 0 0 0
- 0.7668 2.9543 0.0000 H 0 0 0
- 6.3936 1.4729 0.0000 H 0 0 0
- 4.8911 2.7179 0.0000 H 0 0 0
- -0.8354 1.1027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 13 7 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 2 0
- 14 20 1 0
- 15 21 2 0
- 15 22 1 0
- 16 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 1 0
- 24 27 1 0
- 24 28 1 0
- 25 29 1 0
- 27 30 1 0
- 28 31 1 0
- 8 12 1 0
- 9 11 2 0
- 19 21 1 0
- 25 27 1 0
- 6 32 1 0
- 8 33 1 0
- 13 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
- 25 44 1 0
- 26 45 1 0
- 27 46 1 0
- 28 47 1 0
- 28 48 1 0
- 29 49 1 0
- 30 50 1 0
- 31 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25377-73-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 45 1 V2000
- 4.1855 0.1540 0.6905 C 0 0 0
- 4.4661 -1.3623 0.6530 C 0 0 0
- 5.3594 0.7490 -0.0564 C 0 0 0
- 2.9119 0.4478 -0.0595 C 0 0 0
- 5.7685 -1.4615 -0.1111 C 0 0 0
- 6.1715 -0.2346 -0.4545 O 0 0 0
- 5.5345 1.9268 -0.2608 O 0 0 0
- 1.9163 1.0439 0.5485 C 0 0 0
- 6.3519 -2.4875 -0.3693 O 0 0 0
- 0.6427 1.3378 -0.2015 C 0 0 0
- -0.5265 0.6235 0.4795 C 0 0 0
- -1.8196 0.9219 -0.2820 C 0 0 0
- -2.9888 0.2077 0.3990 C 0 0 0
- -4.2819 0.5060 -0.3625 C 0 0 0
- -5.4511 -0.2082 0.3185 C 0 0 0
- -6.7442 0.0901 -0.4430 C 0 0 0
- -7.9134 -0.6241 0.2380 C 0 0 0
- -9.2065 -0.3258 -0.5235 C 0 0 0
- -10.3757 -1.0400 0.1575 C 0 0 0
- 4.0652 1.1420 0.0000 H 0 0 0
- 3.4754 -1.4583 0.0000 H 0 0 0
- 4.4764 -2.3575 0.0000 H 0 0 0
- 2.5399 -0.4753 0.0000 H 0 0 0
- 2.2884 1.9670 0.0000 H 0 0 0
- 1.1129 2.2150 0.0000 H 0 0 0
- -0.0807 2.0214 0.0000 H 0 0 0
- -0.9967 -0.2537 0.0000 H 0 0 0
- 0.1969 -0.0601 0.0000 H 0 0 0
- -1.3494 1.7991 0.0000 H 0 0 0
- -2.5429 1.6056 0.0000 H 0 0 0
- -3.4589 -0.6696 0.0000 H 0 0 0
- -2.2655 -0.4760 0.0000 H 0 0 0
- -3.8118 1.3833 0.0000 H 0 0 0
- -5.0052 1.1897 0.0000 H 0 0 0
- -5.9212 -1.0855 0.0000 H 0 0 0
- -4.7278 -0.8919 0.0000 H 0 0 0
- -6.2741 0.9674 0.0000 H 0 0 0
- -7.4675 0.7738 0.0000 H 0 0 0
- -8.3835 -1.5014 0.0000 H 0 0 0
- -7.1901 -1.3078 0.0000 H 0 0 0
- -8.7364 0.5515 0.0000 H 0 0 0
- -9.9298 0.3579 0.0000 H 0 0 0
- -10.8945 -0.1906 0.0000 H 0 0 0
- -11.2251 -1.5588 0.0000 H 0 0 0
- -9.8569 -1.8894 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 8 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 5 6 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 19 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98931-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 48 1 V2000
- 0.9470 0.3711 0.3487 C 0 0 0
- -0.0861 1.3135 0.3678 C 0 0 0
- 2.3175 0.6544 0.3390 C 0 0 0
- 0.7789 -1.0823 0.3259 C 0 0 0
- -1.4770 0.7619 0.3931 C 0 0 2
- 0.3119 2.6119 0.3663 C 0 0 0
- 2.9404 -0.5570 0.3298 N 0 0 0
- 2.6928 1.9968 0.3400 C 0 0 0
- -0.6196 -1.6497 0.3044 C 0 0 0
- 2.0051 -1.5811 0.3198 C 0 0 0
- -1.5349 -0.5902 -0.3225 C 0 0 1
- -2.4566 1.7285 -0.2717 C 0 0 0
- 1.6684 2.9339 0.3524 C 0 0 0
- 4.3926 -0.7507 0.3293 C 0 0 0
- -2.9225 -1.0666 -0.3225 N 0 0 0
- -3.8789 1.1752 -0.1461 C 0 0 2
- 4.8991 -0.8065 -1.1134 C 0 0 0
- -3.9667 -0.1791 -0.8558 C 0 0 0
- -3.2345 -2.2946 0.1576 C 0 0 0
- -4.8649 2.1526 -0.7889 C 0 0 0
- 6.4157 -1.0088 -1.1139 C 0 0 0
- -3.4961 -3.3242 0.5602 N 0 0 0
- -2.4460 0.3809 0.0000 H 0 0 0
- -0.4003 3.3715 0.0000 H 0 0 0
- 3.6939 2.2832 0.0000 H 0 0 0
- -1.4769 -2.2406 0.0000 H 0 0 0
- -0.1255 -2.5663 0.0000 H 0 0 0
- 2.2345 -2.5968 0.0000 H 0 0 0
- -0.5515 -0.2480 0.0000 H 0 0 0
- -1.6287 2.3601 0.0000 H 0 0 0
- -2.9662 2.6366 0.0000 H 0 0 0
- 1.9300 3.9418 0.0000 H 0 0 0
- 3.7636 -1.5805 0.0000 H 0 0 0
- 4.8041 -1.7072 0.0000 H 0 0 0
- -4.8525 0.8059 0.0000 H 0 0 0
- 5.5281 0.0233 0.0000 H 0 0 0
- 4.4876 0.1500 0.0000 H 0 0 0
- -4.9680 0.1066 0.0000 H 0 0 0
- -4.4579 -1.0973 0.0000 H 0 0 0
- -4.1318 2.8921 0.0000 H 0 0 0
- -5.6044 2.8857 0.0000 H 0 0 0
- -5.5980 1.4131 0.0000 H 0 0 0
- 6.2780 -2.0409 0.0000 H 0 0 0
- 7.4478 -1.1465 0.0000 H 0 0 0
- 6.5534 0.0233 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 19 22 3 0
- 7 10 1 0
- 8 13 1 0
- 9 11 1 0
- 16 18 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 20 40 1 0
- 20 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 21 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13177-28-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.9457 -0.6440 -0.0096 C 0 0 0
- -0.2813 -0.2359 -0.0070 C 0 0 0
- 1.8763 0.4835 0.0161 C 0 0 0
- 1.3917 -2.0320 -0.0290 C 0 0 0
- -0.2582 1.2351 0.0214 C 0 0 0
- -1.3179 -1.2854 -0.0315 C 0 0 0
- 0.9987 1.6637 0.0347 C 0 0 0
- 3.1556 0.2027 0.0168 C 0 0 0
- 0.4711 -2.9658 -0.0457 C 0 0 0
- 2.8488 -2.2467 -0.0272 C 0 0 0
- -1.3551 2.2209 0.0362 C 0 0 0
- -0.9500 -2.5540 -0.0545 C 0 0 0
- -2.6312 -0.9522 -0.0300 N 0 3 0
- 1.2842 3.1065 0.0628 C 0 0 0
- 3.6382 -1.1877 -0.0074 C 0 0 0
- -1.0953 3.5086 0.0620 C 0 0 0
- -3.4004 -1.5106 0.7317 O 0 0 0
- -3.0427 -0.0942 -0.7903 O 0 5 0
- 0.3004 3.9793 0.0751 C 0 0 0
- 3.8562 0.9912 0.0000 H 0 0 0
- 0.7374 -3.9864 0.0000 H 0 0 0
- 3.2517 -3.2215 0.0000 H 0 0 0
- -2.3564 1.8893 0.0000 H 0 0 0
- -1.6958 -3.2999 0.0000 H 0 0 0
- 2.2838 3.4432 0.0000 H 0 0 0
- 4.6806 -1.3487 0.0000 H 0 0 0
- -1.8867 4.2059 0.0000 H 0 0 0
- 0.5102 5.0130 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 13 17 2 0
- 13 18 1 0
- 14 19 2 0
- 5 7 2 0
- 9 12 1 0
- 10 15 2 0
- 16 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102408-25-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.5107 -0.0726 -0.0023 C 0 0 0
- -0.8774 -0.3084 -0.0012 C 0 0 0
- 0.9870 1.2396 -0.0011 C 0 0 0
- 1.6223 -0.8909 0.0010 N 0 0 0
- -1.7716 0.7904 0.0012 C 0 0 0
- -1.3998 -1.6125 -0.0029 C 0 0 0
- 0.0811 2.3171 0.0013 C 0 0 0
- 2.3445 1.1723 -0.0022 N 0 0 0
- 2.7210 -0.0822 -0.0020 C 0 0 0
- 1.6223 -2.3559 0.0066 C 0 0 0
- -1.2573 2.1025 0.0029 C 0 0 0
- -3.0899 0.5726 0.0015 N 0 0 0
- -2.7586 -1.7651 -0.0021 C 0 0 0
- 4.0303 -0.5195 -0.0002 N 0 0 0
- -3.5820 -0.6432 -0.0005 C 0 0 0
- -0.7726 -2.4362 0.0000 H 0 0 0
- 0.4423 3.2874 0.0000 H 0 0 0
- 0.5870 -2.3559 0.0000 H 0 0 0
- 1.6223 -3.3912 0.0000 H 0 0 0
- 2.6576 -2.3559 0.0000 H 0 0 0
- -1.9068 2.9087 0.0000 H 0 0 0
- -3.1740 -2.7134 0.0000 H 0 0 0
- 4.2373 -1.5339 0.0000 H 0 0 0
- 4.8053 0.1669 0.0000 H 0 0 0
- -4.6093 -0.7715 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 9 14 1 0
- 12 15 2 0
- 7 11 2 0
- 8 9 2 0
- 13 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5598-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -2.0321 0.0918 0.3358 P 0 0 0
- -1.1379 -1.2388 0.1875 O 0 0 0
- -1.7687 1.0586 -0.9244 O 0 0 0
- -3.5899 -0.3114 0.3866 O 0 0 0
- -1.6640 0.7969 1.5839 O 0 0 0
- 0.1583 -0.8382 0.1502 C 0 0 0
- -1.9853 0.2742 -2.0991 C 0 0 0
- -4.3142 0.8781 0.7070 C 0 0 0
- 1.1674 -1.7850 0.0251 C 0 0 0
- 0.4480 0.4500 0.2278 N 0 0 0
- -1.7501 1.1382 -3.3397 C 0 0 0
- -5.8099 0.5627 0.7712 C 0 0 0
- 2.4867 -1.3638 -0.0122 C 0 0 0
- 0.7802 -3.4739 -0.0823 Cl 0 0 0
- 1.6948 0.8831 0.1949 C 0 0 0
- 2.7502 -0.0039 0.0773 C 0 0 0
- 2.0139 2.5862 0.3002 Cl 0 0 0
- 4.3852 0.5780 0.0362 Cl 0 0 0
- -2.9895 0.0107 0.0000 H 0 0 0
- -1.2559 -0.4646 0.0000 H 0 0 0
- -3.3722 1.3146 0.0000 H 0 0 0
- -4.6416 1.8633 0.0000 H 0 0 0
- -0.7483 0.8655 0.0000 H 0 0 0
- -1.4774 2.1400 0.0000 H 0 0 0
- -2.7519 1.4109 0.0000 H 0 0 0
- -6.0241 1.5786 0.0000 H 0 0 0
- -6.8258 0.3485 0.0000 H 0 0 0
- -5.5957 -0.4532 0.0000 H 0 0 0
- 3.2627 -2.0535 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 15 16 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-57-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- 0.5080 -0.0387 0.0404 C 0 0 0
- -0.5778 -1.0861 0.1899 C 0 0 0
- -0.4864 0.8712 0.1745 O 0 0 0
- 1.7056 -0.0229 -0.1190 O 0 0 0
- -1.5545 -0.0054 -0.3041 C 0 0 0
- -1.3391 -1.7893 0.0000 H 0 0 0
- 0.1336 -1.8397 0.0000 H 0 0 0
- -2.2246 0.7851 0.0000 H 0 0 0
- -2.3343 -0.6880 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 5 1 0
- 2 6 1 0
- 2 7 1 0
- 5 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.7478 0.2953 -0.3962 C 0 0 0
- -0.6650 -0.1054 -0.0582 C 0 0 0
- 1.1662 1.4773 0.4805 C 0 0 0
- 1.6253 -0.8074 -0.1595 O 0 0 0
- -1.6661 0.7769 -0.2041 O 0 0 0
- -0.8968 -1.2209 0.3440 O 0 0 0
- 0.0631 1.0252 0.0000 H 0 0 0
- 2.1096 1.1433 0.0000 H 0 0 0
- 1.5002 2.4207 0.0000 H 0 0 0
- 0.2228 1.8113 0.0000 H 0 0 0
- 2.2485 -1.5905 0.0000 H 0 0 0
- -2.4169 1.4386 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-76547-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 61 1 V2000
- -1.5238 -2.2191 -1.0219 N 0 0 0
- -2.4999 -2.4472 0.0537 C 0 0 1
- -0.8638 -1.0669 -1.2523 C 0 0 0
- -1.3820 -3.4615 -1.8028 C 0 0 0
- -3.0099 -3.8966 -0.0902 C 0 0 0
- -1.8224 -2.2834 1.3898 C 0 0 0
- -1.2240 0.1754 -0.4790 C 0 0 1
- 0.0201 -1.0298 -2.0819 O 0 0 0
- -2.7087 -4.2276 -1.5736 C 0 0 0
- -2.5240 -2.4464 2.5225 O 0 0 0
- -0.6477 -2.0054 1.4415 O 0 0 0
- -0.0274 1.0104 -0.3088 N 0 0 0
- -2.2898 0.9618 -1.2450 C 0 0 0
- 0.6091 0.5853 0.9450 C 0 0 1
- -2.6555 2.2231 -0.4599 C 0 0 0
- 2.1206 0.8018 0.8486 C 0 0 0
- 0.0574 1.3969 2.0887 C 0 0 0
- -3.7213 3.0094 -1.2259 C 0 0 0
- 2.6807 -0.0220 -0.3126 C 0 0 0
- -0.0141 0.8623 3.3179 O 0 0 0
- -0.3206 2.5287 1.8993 O 0 0 0
- -4.0870 4.2707 -0.4408 C 0 0 0
- 4.1695 0.1912 -0.4076 C 0 0 0
- -5.1103 5.0257 -1.1762 N 0 0 0
- 5.0320 -0.6339 0.2902 C 0 0 0
- 4.6730 1.2081 -1.1968 C 0 0 0
- 6.3974 -0.4383 0.2031 C 0 0 0
- 6.0389 1.4037 -1.2840 C 0 0 0
- 6.9009 0.5825 -0.5818 C 0 0 0
- -3.1178 -1.7634 0.0000 H 0 0 0
- -1.0342 -4.3149 0.0000 H 0 0 0
- -0.4891 -3.2332 0.0000 H 0 0 0
- -3.8173 -3.4523 0.0000 H 0 0 0
- -3.5806 -4.6202 0.0000 H 0 0 0
- -1.9801 -0.3515 0.0000 H 0 0 0
- -3.4329 -4.7976 0.0000 H 0 0 0
- -2.1920 -4.9907 0.0000 H 0 0 0
- -3.4217 -2.6550 0.0000 H 0 0 0
- -0.0368 1.9320 0.0000 H 0 0 0
- -3.2111 0.9837 0.0000 H 0 0 0
- -2.5882 0.0898 0.0000 H 0 0 0
- 0.4050 -0.3134 0.0000 H 0 0 0
- -1.7342 2.2012 0.0000 H 0 0 0
- -2.3571 3.0951 0.0000 H 0 0 0
- 2.9523 1.1989 0.0000 H 0 0 0
- 1.8536 1.6839 0.0000 H 0 0 0
- -4.6426 3.0313 0.0000 H 0 0 0
- -4.0197 2.1374 0.0000 H 0 0 0
- 1.8490 -0.4191 0.0000 H 0 0 0
- 2.9476 -0.9041 0.0000 H 0 0 0
- -0.1363 -0.0512 0.0000 H 0 0 0
- -3.1657 4.2488 0.0000 H 0 0 0
- -3.7886 5.1427 0.0000 H 0 0 0
- -5.0072 5.9415 0.0000 H 0 0 0
- -5.9550 4.6570 0.0000 H 0 0 0
- 4.7504 -1.5114 0.0000 H 0 0 0
- 4.1325 1.9546 0.0000 H 0 0 0
- 6.9384 -1.1844 0.0000 H 0 0 0
- 6.3196 2.2815 0.0000 H 0 0 0
- 7.8083 0.7436 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 17 21 2 0
- 18 22 1 0
- 19 23 1 0
- 22 24 1 0
- 23 25 1 0
- 23 26 2 0
- 25 27 2 0
- 26 28 1 0
- 27 29 1 0
- 5 9 1 0
- 28 29 2 0
- 2 30 1 0
- 4 31 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 7 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 12 39 1 0
- 13 40 1 0
- 13 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 16 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 22 52 1 0
- 22 53 1 0
- 24 54 1 0
- 24 55 1 0
- 25 56 1 0
- 26 57 1 0
- 27 58 1 0
- 28 59 1 0
- 29 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-11-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- 3.0830 -0.0557 -0.0050 C 0 0 0
- 1.7997 -0.6100 -0.0023 C 0 0 0
- 3.2880 1.6943 -0.0088 S 0 0 0
- 4.1872 -0.8795 0.0010 C 0 0 0
- 0.6163 0.2673 -0.0030 C 0 0 0
- 1.6423 -1.9994 0.0006 C 0 0 0
- 4.7757 1.9785 0.1420 O 0 0 0
- 2.9445 2.1205 -1.3201 O 0 0 0
- 2.6832 2.1565 1.1912 O 0 0 0
- 4.0265 -2.2608 0.0097 C 0 0 0
- -0.6161 -0.2672 -0.0004 C 0 0 0
- 2.7511 -2.8163 0.0008 C 0 0 0
- 5.1474 -3.0918 0.0153 N 0 0 0
- -1.7995 0.6102 -0.0010 C 0 0 0
- -3.0832 0.0557 0.0017 C 0 0 0
- -1.6421 1.9992 0.0014 C 0 0 0
- -3.2882 -1.6943 0.0066 S 0 0 0
- -4.1871 0.8793 0.0010 C 0 0 0
- -2.7513 2.8163 0.0007 C 0 0 0
- -4.7749 -1.9787 -0.1521 O 0 0 0
- -2.6766 -2.1581 -1.1893 O 0 0 0
- -2.9520 -2.1188 1.3204 O 0 0 0
- -4.0263 2.2610 -0.0024 C 0 0 0
- -5.1472 3.0920 -0.0036 N 0 0 0
- 5.1453 -0.4665 0.0000 H 0 0 0
- 0.7354 1.3038 0.0000 H 0 0 0
- 0.6861 -2.4167 0.0000 H 0 0 0
- 5.8005 2.1743 0.0000 H 0 0 0
- -0.7352 -1.3037 0.0000 H 0 0 0
- 2.6344 -3.8531 0.0000 H 0 0 0
- 5.0283 -4.1283 0.0000 H 0 0 0
- 6.1046 -2.6766 0.0000 H 0 0 0
- -0.6859 2.4165 0.0000 H 0 0 0
- -5.1452 0.4663 0.0000 H 0 0 0
- -2.6346 3.8531 0.0000 H 0 0 0
- -5.7997 -2.1747 0.0000 H 0 0 0
- -5.0281 4.1285 0.0000 H 0 0 0
- -6.1044 2.6768 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 3 9 2 0
- 4 10 2 0
- 5 11 2 0
- 6 12 2 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 17 21 2 0
- 17 22 2 0
- 18 23 1 0
- 23 24 1 0
- 10 12 1 0
- 19 23 2 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 24 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-77-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.4104 -0.6601 0.0644 C 0 0 0
- -1.5416 -1.2766 -0.1964 N 0 0 0
- -0.9547 1.0087 0.4005 S 0 0 0
- 1.2255 -1.3143 0.0850 S 0 0 0
- -2.7349 -0.6438 -0.1702 C 0 0 0
- -2.6925 0.7305 0.1569 C 0 0 0
- 2.5793 -0.2733 0.4671 N 0 0 0
- -4.0155 -1.1851 -0.4282 C 0 0 0
- -3.8192 1.5107 0.2250 C 0 0 0
- 2.5897 0.7934 -0.5427 C 0 0 0
- 3.7962 -1.0678 0.2532 C 0 0 0
- -5.1355 -0.3982 -0.3579 C 0 0 0
- -5.0561 0.9483 -0.0336 C 0 0 0
- 3.8492 1.6444 -0.3745 C 0 0 0
- 5.0254 -0.1702 0.4015 C 0 0 0
- 5.0071 0.8421 -0.6047 O 0 0 0
- -4.1255 -2.2162 0.0000 H 0 0 0
- -3.7266 2.5435 0.0000 H 0 0 0
- 2.1927 1.7514 0.0000 H 0 0 0
- 1.5717 0.5960 0.0000 H 0 0 0
- 3.1290 -1.8616 0.0000 H 0 0 0
- 4.5040 -1.8256 0.0000 H 0 0 0
- -6.0694 -0.8490 0.0000 H 0 0 0
- -5.9111 1.5351 0.0000 H 0 0 0
- 4.5403 2.4175 0.0000 H 0 0 0
- 3.1672 2.4255 0.0000 H 0 0 0
- 5.4544 -1.1143 0.0000 H 0 0 0
- 6.0369 0.0584 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 7 11 1 0
- 8 12 2 0
- 9 13 2 0
- 10 14 1 0
- 11 15 1 0
- 14 16 1 0
- 5 6 2 0
- 12 13 1 0
- 15 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1929-73-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -2.2426 -0.2854 -0.0197 C 0 0 0
- -3.5530 -0.6382 0.2743 C 0 0 0
- -1.9410 1.0212 -0.3723 C 0 0 0
- -1.2559 -1.2184 0.0436 O 0 0 0
- -4.5534 0.3136 0.2148 C 0 0 0
- -3.9342 -2.2730 0.7167 Cl 0 0 0
- -2.9443 1.9697 -0.4305 C 0 0 0
- -0.0390 -0.5572 -0.3086 C 0 0 0
- -4.2494 1.6169 -0.1374 C 0 0 0
- 1.1006 -1.5420 -0.2577 C 0 0 0
- -5.5076 2.8107 -0.2115 Cl 0 0 0
- 2.3473 -1.1415 -0.5527 O 0 0 0
- 0.8921 -2.6920 0.0488 O 0 0 0
- 3.4454 -2.0903 -0.5036 C 0 0 0
- 4.7483 -1.3824 -0.8807 C 0 0 0
- 4.9963 -0.3186 0.0407 O 0 0 0
- 6.2196 0.3002 -0.3624 C 0 0 0
- 6.5449 1.4541 0.5881 C 0 0 0
- 7.8547 2.1166 0.1565 C 0 0 0
- 8.1800 3.2705 1.1071 C 0 0 0
- -0.9614 1.3171 0.0000 H 0 0 0
- -5.5338 0.0204 0.0000 H 0 0 0
- -2.6944 2.9621 0.0000 H 0 0 0
- 0.7181 0.1313 0.0000 H 0 0 0
- -0.6318 0.2769 0.0000 H 0 0 0
- 2.6884 -2.7788 0.0000 H 0 0 0
- 4.0382 -2.9244 0.0000 H 0 0 0
- 5.0069 -2.3725 0.0000 H 0 0 0
- 5.7715 -1.3689 0.0000 H 0 0 0
- 6.4435 -0.6983 0.0000 H 0 0 0
- 7.2425 0.2725 0.0000 H 0 0 0
- 6.3210 2.4526 0.0000 H 0 0 0
- 5.5220 1.4818 0.0000 H 0 0 0
- 8.0786 1.1181 0.0000 H 0 0 0
- 8.8776 2.0889 0.0000 H 0 0 0
- 9.1649 2.9928 0.0000 H 0 0 0
- 8.4577 4.2554 0.0000 H 0 0 0
- 7.1951 3.5482 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 7 9 2 0
- 3 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 20 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87679-37-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 67 1 V2000
- 2.5399 -0.5191 0.7488 N 0 0 0
- 3.3084 -1.6937 0.3698 C 0 0 2
- 3.3230 0.6677 0.3303 C 0 0 1
- 1.3388 -0.5110 1.3603 C 0 0 0
- 4.0831 -1.2449 -0.8992 C 0 0 1
- 2.5403 -2.9486 0.0124 C 0 0 0
- 4.5611 0.1441 -0.4484 C 0 0 0
- 2.4867 1.5452 -0.5651 C 0 0 0
- 0.5986 0.7879 1.5501 C 0 0 1
- 0.8537 -1.5491 1.7578 O 0 0 0
- 5.1863 -2.2661 -1.1178 C 0 0 0
- 3.5729 -4.0418 -0.3096 C 0 0 0
- 2.6228 2.8796 -0.5141 O 0 0 0
- 1.6936 1.0475 -1.3288 O 0 0 0
- -0.8479 0.5318 1.5496 N 0 0 0
- 1.0049 1.4161 2.8847 C 0 0 0
- 4.5087 -3.6090 -1.4343 C 0 0 0
- -1.3632 1.0234 0.2648 C 0 0 1
- -2.7676 0.4633 0.0307 C 0 0 0
- -1.4206 2.5291 0.2897 C 0 0 0
- -2.7093 -1.0654 0.0055 C 0 0 0
- -1.1557 3.2293 -0.8244 O 0 0 0
- -1.7051 3.1060 1.3125 O 0 0 0
- -4.0926 -1.6171 -0.2251 C 0 0 0
- -1.2110 4.6801 -0.8004 C 0 0 0
- -4.5407 -1.8435 -1.5133 C 0 0 0
- -4.9113 -1.9020 0.8514 C 0 0 0
- -0.8699 5.2264 -2.1883 C 0 0 0
- -5.8093 -2.3494 -1.7248 C 0 0 0
- -6.1804 -2.4081 0.6398 C 0 0 0
- -6.6304 -2.6291 -0.6482 C 0 0 0
- 4.0126 -2.4152 0.0000 H 0 0 0
- 3.8962 1.4971 0.0000 H 0 0 0
- 3.3046 -0.6042 0.0000 H 0 0 0
- 1.7301 -2.3486 0.0000 H 0 0 0
- 1.8712 -3.7028 0.0000 H 0 0 0
- 5.5067 -0.2057 0.0000 H 0 0 0
- 4.9324 1.0814 0.0000 H 0 0 0
- 0.0411 1.6279 0.0000 H 0 0 0
- 6.0402 -2.8020 0.0000 H 0 0 0
- 5.7994 -1.4657 0.0000 H 0 0 0
- 2.7697 -4.6511 0.0000 H 0 0 0
- 4.0922 -4.9060 0.0000 H 0 0 0
- 2.7251 3.8826 0.0000 H 0 0 0
- -1.1394 -0.4333 0.0000 H 0 0 0
- 1.8515 0.8686 0.0000 H 0 0 0
- 1.5524 2.2627 0.0000 H 0 0 0
- 0.1583 1.9636 0.0000 H 0 0 0
- 4.6424 -4.6083 0.0000 H 0 0 0
- 5.5028 -3.7767 0.0000 H 0 0 0
- -0.4441 1.4377 0.0000 H 0 0 0
- -3.0323 1.4361 0.0000 H 0 0 0
- -3.7642 0.3107 0.0000 H 0 0 0
- -2.4446 -2.0382 0.0000 H 0 0 0
- -1.7127 -0.9128 0.0000 H 0 0 0
- -1.8510 5.4591 0.0000 H 0 0 0
- -2.1535 4.3222 0.0000 H 0 0 0
- -4.1262 -2.7626 0.0000 H 0 0 0
- -5.2638 -0.9574 0.0000 H 0 0 0
- -0.0147 4.6924 0.0000 H 0 0 0
- -0.3359 6.0816 0.0000 H 0 0 0
- -1.7251 5.7604 0.0000 H 0 0 0
- -5.4599 -3.2951 0.0000 H 0 0 0
- -6.5896 -1.4867 0.0000 H 0 0 0
- -7.5620 -3.0147 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 15 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 20 23 2 0
- 21 24 1 0
- 22 25 1 0
- 24 26 1 0
- 24 27 2 0
- 25 28 1 0
- 26 29 2 0
- 27 30 1 0
- 29 31 1 0
- 5 7 1 0
- 12 17 1 0
- 30 31 2 0
- 2 32 1 0
- 3 33 1 0
- 5 34 1 0
- 6 35 1 0
- 6 36 1 0
- 7 37 1 0
- 7 38 1 0
- 9 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 15 45 1 0
- 16 46 1 0
- 16 47 1 0
- 16 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 19 52 1 0
- 19 53 1 0
- 21 54 1 0
- 21 55 1 0
- 25 56 1 0
- 25 57 1 0
- 26 58 1 0
- 27 59 1 0
- 28 60 1 0
- 28 61 1 0
- 28 62 1 0
- 29 63 1 0
- 30 64 1 0
- 31 65 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.4637 0.0794 0.0021 C 0 0 0
- 0.5062 -0.9364 0.0004 C 0 0 0
- -0.0597 1.4200 0.0020 C 0 0 0
- -1.8912 -0.2622 -0.0021 C 0 0 0
- 1.8519 -0.6004 -0.0014 C 0 0 0
- 0.1290 -2.2388 0.0009 O 0 0 0
- 1.2811 1.7324 0.0002 C 0 0 0
- -2.7255 0.6183 -0.0007 O 0 0 0
- 2.2345 0.7260 -0.0014 C 0 0 0
- -0.7711 2.1783 0.0000 H 0 0 0
- -2.1872 -1.2589 0.0000 H 0 0 0
- 2.5737 -1.3488 0.0000 H 0 0 0
- -0.1602 -3.2375 0.0000 H 0 0 0
- 1.5802 2.7282 0.0000 H 0 0 0
- 3.2447 0.9719 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2642-98-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.2431 0.7822 0.0020 C 0 0 0
- -0.5103 -0.4072 0.0011 C 0 0 0
- 1.7056 0.6989 0.0014 C 0 0 0
- -0.4057 2.0298 -0.0022 C 0 0 0
- -1.9725 -0.3072 0.0012 C 0 0 0
- 0.1234 -1.6600 -0.0004 C 0 0 0
- 2.3176 -0.5752 0.0001 C 0 0 0
- 2.5022 1.8472 0.0016 C 0 0 0
- -1.7549 2.1269 -0.0077 C 0 0 0
- -2.5692 0.9748 0.0024 C 0 0 0
- -2.7810 -1.4471 -0.0004 C 0 0 0
- 1.4801 -1.7718 -0.0009 C 0 0 0
- 3.7150 -0.6661 -0.0002 C 0 0 0
- 3.8621 1.7257 0.0005 C 0 0 0
- -3.9690 1.0781 0.0024 C 0 0 0
- -4.1392 -1.3121 -0.0008 C 0 0 0
- 2.0719 -3.0324 -0.0019 N 0 0 0
- 4.4657 0.4733 0.0007 C 0 0 0
- -4.7299 -0.0528 0.0012 C 0 0 0
- 0.1707 2.9065 0.0000 H 0 0 0
- -0.4624 -2.5305 0.0000 H 0 0 0
- 2.0576 2.7976 0.0000 H 0 0 0
- -2.2035 3.0754 0.0000 H 0 0 0
- -2.3461 -2.4019 0.0000 H 0 0 0
- 4.1823 -1.6055 0.0000 H 0 0 0
- 4.4592 2.5884 0.0000 H 0 0 0
- -4.4277 2.0217 0.0000 H 0 0 0
- -4.7451 -2.1687 0.0000 H 0 0 0
- 1.4723 -3.8934 0.0000 H 0 0 0
- 3.1174 -3.1211 0.0000 H 0 0 0
- 5.5126 0.4033 0.0000 H 0 0 0
- -5.7760 0.0277 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 2 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16110-09-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -1.3756 -0.0260 0.0032 C 0 0 0
- -0.7074 -1.2428 0.0021 C 0 0 0
- -0.6417 1.1458 0.0026 C 0 0 0
- -3.1109 0.0237 -0.0020 Cl 0 0 0
- 0.6781 -1.2344 0.0005 C 0 0 0
- 0.6770 1.1159 0.0011 N 0 0 0
- 1.3451 -0.0218 0.0001 C 0 0 0
- 3.0810 0.0025 -0.0013 Cl 0 0 0
- -1.2336 -2.1382 0.0000 H 0 0 0
- -1.1344 2.0600 0.0000 H 0 0 0
- 1.2094 -2.1268 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-709-98-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.8715 0.8052 -0.4450 C 0 0 0
- -0.2159 -0.4183 -0.4671 C 0 0 0
- -0.1617 1.9660 -0.1661 C 0 0 0
- -2.2446 0.8695 -0.7091 N 0 0 0
- 1.1414 -0.4782 -0.2116 C 0 0 0
- 1.1940 1.9012 0.0885 C 0 0 0
- -3.1046 0.1199 0.0085 C 0 0 0
- 1.8462 0.6810 0.0662 C 0 0 0
- 1.9625 -2.0075 -0.2383 Cl 0 0 0
- -4.5661 0.0910 -0.3581 C 0 0 0
- -2.7024 -0.5313 0.9493 O 0 0 0
- 3.5505 0.6031 0.3873 Cl 0 0 0
- -5.3159 -0.8292 0.6072 C 0 0 0
- -0.7592 -1.2821 0.0000 H 0 0 0
- -0.6394 2.8678 0.0000 H 0 0 0
- -2.5802 1.8332 0.0000 H 0 0 0
- 1.7394 2.7637 0.0000 H 0 0 0
- -4.3487 1.0880 0.0000 H 0 0 0
- -5.4853 0.5341 0.0000 H 0 0 0
- -6.1070 -0.1846 0.0000 H 0 0 0
- -5.9605 -1.6203 0.0000 H 0 0 0
- -4.5248 -1.4738 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 10 13 1 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 10 18 1 0
- 10 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1152-48-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -1.0814 -0.8151 -0.0048 C 0 0 0
- -2.1951 -1.6568 -0.0050 C 0 0 0
- -1.2607 0.5697 -0.0021 C 0 0 0
- 0.2824 -1.3875 -0.0013 C 0 0 0
- -3.4644 -1.1163 -0.0025 C 0 0 0
- -2.5351 1.0969 0.0003 C 0 0 0
- 1.4466 -0.5029 -0.0011 C 0 0 0
- 0.4356 -2.5951 0.0015 O 0 0 0
- -3.6349 0.2567 0.0001 C 0 0 0
- 2.6921 -1.0258 0.0021 C 0 0 0
- -4.9998 0.8296 0.0022 N 0 3 0
- 3.8633 -0.1358 0.0023 C 0 0 0
- -5.1530 2.0379 0.0046 O 0 0 0
- -5.9696 0.0927 0.0017 O 0 5 0
- 5.1548 -0.6732 0.0057 C 0 0 0
- 3.6915 1.2528 -0.0067 C 0 0 0
- 6.2475 0.1678 0.0053 C 0 0 0
- 4.7942 2.0800 -0.0070 C 0 0 0
- 6.0691 1.5402 0.0017 C 0 0 0
- -2.0685 -2.6870 0.0000 H 0 0 0
- -0.4367 1.2009 0.0000 H 0 0 0
- -4.2933 -1.7411 0.0000 H 0 0 0
- -2.6697 2.1261 0.0000 H 0 0 0
- 1.3160 0.5268 0.0000 H 0 0 0
- 2.8227 -2.0555 0.0000 H 0 0 0
- 5.2902 -1.7023 0.0000 H 0 0 0
- 2.7363 1.6590 0.0000 H 0 0 0
- 7.2064 -0.2295 0.0000 H 0 0 0
- 4.6684 3.1103 0.0000 H 0 0 0
- 6.8956 2.1682 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 6 9 1 0
- 18 19 1 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86674-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 30 1 V2000
- 0.0824 -0.2851 -0.0018 C 0 0 0
- -1.3183 0.1688 -0.0012 C 0 0 0
- 1.0613 0.5883 -0.0005 C 0 0 0
- 0.3513 -1.7344 0.0024 C 0 0 0
- -1.5988 1.4504 0.0006 C 0 0 0
- -2.3862 -0.8472 -0.0021 C 0 0 0
- 2.4549 0.1119 -0.0010 C 0 0 0
- 0.7515 2.0281 0.0009 C 0 0 0
- -0.7771 -2.6773 0.0063 C 0 0 0
- 1.5968 -2.1568 0.0020 C 0 0 0
- -0.5034 2.4348 0.0022 C 0 0 0
- -3.0069 1.8819 0.0013 C 0 0 0
- -2.0253 -2.2728 -0.0042 C 0 0 0
- -3.6427 -0.4588 -0.0015 C 0 0 0
- 2.7025 -1.1821 -0.0027 C 0 0 0
- 3.4778 1.0005 -0.0001 N 0 0 0
- -3.9664 0.9792 0.0001 C 0 0 0
- 4.6293 0.6036 -0.0005 O 0 0 0
- 1.5699 2.7674 0.0000 H 0 0 0
- -0.5674 -3.7600 0.0000 H 0 0 0
- 1.8135 -3.2382 0.0000 H 0 0 0
- -0.7326 3.5136 0.0000 H 0 0 0
- -3.2570 2.9560 0.0000 H 0 0 0
- -2.8302 -3.0267 0.0000 H 0 0 0
- -4.4525 -1.2075 0.0000 H 0 0 0
- 3.7460 -1.5391 0.0000 H 0 0 0
- -5.0209 1.3022 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 2 0
- 8 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-448-97-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7303 -0.1295 0.1438 C 0 0 0
- -0.7303 0.1294 0.1438 C 0 0 0
- 1.6158 0.8667 -0.2664 C 0 0 0
- 1.2196 -1.3664 0.5591 C 0 0 0
- -1.6159 -0.8668 -0.2663 C 0 0 0
- -1.2196 1.3664 0.5592 C 0 0 0
- 2.9743 0.6234 -0.2651 C 0 0 0
- 2.5782 -1.6058 0.5590 C 0 0 0
- -2.9743 -0.6235 -0.2648 C 0 0 0
- -2.5782 1.6057 0.5592 C 0 0 0
- 3.4595 -0.6151 0.1459 C 0 0 0
- 3.8334 1.5874 -0.6622 F 0 0 0
- -3.4594 0.6152 0.1457 C 0 0 0
- -3.8335 -1.5874 -0.6623 F 0 0 0
- 4.8356 -0.8602 0.1468 N 0 0 0
- -4.8356 0.8603 0.1467 N 0 0 0
- 1.2886 1.8113 0.0000 H 0 0 0
- 0.5877 -2.1410 0.0000 H 0 0 0
- -1.2887 -1.8114 0.0000 H 0 0 0
- -0.5877 2.1410 0.0000 H 0 0 0
- 2.9065 -2.5500 0.0000 H 0 0 0
- -2.9066 2.5499 0.0000 H 0 0 0
- 5.1759 -1.8002 0.0000 H 0 0 0
- 5.4795 -0.0955 0.0000 H 0 0 0
- -5.1759 1.8002 0.0000 H 0 0 0
- -5.4795 0.0956 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 8 11 2 0
- 10 13 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.0000 -0.7679 0.0000 N 0 0 0
- -1.1786 0.1090 0.0000 C 0 0 0
- 1.1786 0.1090 0.0000 C 0 0 0
- -2.4488 -0.7440 0.0000 C 0 0 0
- 2.4488 -0.7440 0.0000 C 0 0 0
- -3.6298 0.1347 0.0000 C 0 0 0
- 3.6298 0.1347 0.0000 C 0 0 0
- -4.5412 0.8128 0.0000 N 0 0 0
- 4.5412 0.8128 0.0000 N 0 0 0
- 0.0000 -1.8708 0.0000 H 0 0 0
- -0.4245 0.9138 0.0000 H 0 0 0
- -1.8930 0.9492 0.0000 H 0 0 0
- 1.8930 0.9492 0.0000 H 0 0 0
- 0.4245 0.9138 0.0000 H 0 0 0
- -3.2029 -1.5488 0.0000 H 0 0 0
- -1.7344 -1.5842 0.0000 H 0 0 0
- 1.7344 -1.5842 0.0000 H 0 0 0
- 3.2029 -1.5488 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 3 0
- 9 7 3 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-66931-57-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.7417 -0.2733 -0.0146 C 0 0 0
- 0.4649 0.3110 -0.0713 C 0 0 0
- 2.8856 0.5612 0.0448 C 0 0 0
- 1.9062 -1.6690 -0.0097 C 0 0 0
- 0.3439 1.6666 -0.0685 C 0 0 0
- -0.7640 -0.5589 -0.1355 C 0 0 0
- 2.7210 1.9569 0.0454 C 0 0 0
- 4.1625 -0.0230 0.1025 C 0 0 0
- 3.1583 -2.1993 0.0465 C 0 0 0
- 1.4689 2.4873 -0.0100 C 0 0 0
- -1.9296 0.2663 -0.1853 O 0 0 0
- 4.2835 -1.3786 0.1006 C 0 0 0
- -3.0552 -0.6121 -0.2447 C 0 0 0
- -4.3430 0.2122 -0.3003 C 0 0 0
- -5.5482 -0.7282 -0.3638 C 0 0 0
- -5.1459 -0.0807 0.8449 O 0 0 0
- 1.0639 -2.3011 0.0000 H 0 0 0
- -0.6152 2.1016 0.0000 H 0 0 0
- -1.4655 -1.3444 0.0000 H 0 0 0
- -0.0626 -1.3444 0.0000 H 0 0 0
- 3.5633 2.5890 0.0000 H 0 0 0
- 5.0224 0.5849 0.0000 H 0 0 0
- 3.2789 -3.2455 0.0000 H 0 0 0
- 1.3483 3.5335 0.0000 H 0 0 0
- 5.2426 -1.8136 0.0000 H 0 0 0
- -3.7193 -1.4295 0.0000 H 0 0 0
- -2.3179 -1.3640 0.0000 H 0 0 0
- -4.2276 1.2590 0.0000 H 0 0 0
- -6.5895 -0.5711 0.0000 H 0 0 0
- -5.2811 -1.7469 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 7 10 2 0
- 9 12 1 0
- 15 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70-34-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.9404 -0.1468 -0.0031 C 0 0 0
- -0.3451 -0.6548 -0.0026 C 0 0 0
- 1.1429 1.2226 -0.0010 C 0 0 0
- 2.1000 -1.0667 0.0003 N 0 3 0
- -1.4281 0.2039 -0.0001 C 0 0 0
- 0.0570 2.0820 0.0016 C 0 0 0
- 2.3989 1.7203 -0.0010 F 0 0 0
- 1.9216 -2.2716 0.0035 O 0 0 0
- 3.2327 -0.6188 -0.0001 O 0 5 0
- -1.2271 1.5719 0.0020 C 0 0 0
- -2.8042 -0.3413 -0.0001 N 0 3 0
- -3.7590 0.4150 0.0022 O 0 0 0
- -2.9819 -1.5463 -0.0024 O 0 5 0
- -0.4970 -1.6802 0.0000 H 0 0 0
- 0.2075 3.1076 0.0000 H 0 0 0
- -2.0401 2.2150 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21340-68-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 39 1 V2000
- -1.0381 -0.2937 -0.3185 C 0 0 0
- -2.5027 -0.1201 -0.1580 C 0 0 0
- -0.3427 0.4705 -1.2537 C 0 0 0
- -0.3538 -1.2175 0.4700 C 0 0 0
- -3.3204 -1.2305 0.0446 C 0 0 0
- -3.0647 1.1542 -0.2037 C 0 0 0
- 1.0189 0.3068 -1.4006 C 0 0 0
- 1.0074 -1.3767 0.3186 C 0 0 0
- -4.6818 -1.0637 0.1937 C 0 0 0
- -4.4277 1.3105 -0.0535 C 0 0 0
- 1.6966 -0.6180 -0.6181 C 0 0 0
- -5.2361 0.2041 0.1423 C 0 0 0
- 3.0380 -0.7774 -0.7654 O 0 0 0
- -6.9499 0.4073 0.3301 Cl 0 0 0
- 3.6562 -0.1182 0.3416 C 0 0 0
- 5.0895 0.1989 0.0007 C 0 0 0
- 2.9054 1.1796 0.6465 C 0 0 0
- 3.6138 -1.0321 1.5679 C 0 0 0
- 5.8704 0.8224 0.8969 O 0 0 0
- 5.5358 -0.1081 -1.0793 O 0 0 0
- 7.2514 1.1279 0.5685 C 0 0 0
- -0.7015 1.4341 0.0000 H 0 0 0
- -0.8690 -2.1073 0.0000 H 0 0 0
- -2.9133 -2.1747 0.0000 H 0 0 0
- -2.4550 1.9821 0.0000 H 0 0 0
- 1.5378 1.1945 0.0000 H 0 0 0
- 1.3681 -2.3395 0.0000 H 0 0 0
- -5.2961 -1.8883 0.0000 H 0 0 0
- -4.8402 2.2523 0.0000 H 0 0 0
- 3.7954 1.6945 0.0000 H 0 0 0
- 2.3905 2.0696 0.0000 H 0 0 0
- 2.0154 0.6647 0.0000 H 0 0 0
- 2.5867 -0.9844 0.0000 H 0 0 0
- 3.5661 -2.0592 0.0000 H 0 0 0
- 4.6409 -1.0798 0.0000 H 0 0 0
- 7.4735 0.1240 0.0000 H 0 0 0
- 8.2553 1.3500 0.0000 H 0 0 0
- 7.0293 2.1318 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 2 0
- 19 21 1 0
- 8 11 1 0
- 10 12 2 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.0000 -0.5130 0.0000 N 0 0 0
- -1.1786 0.3639 0.0000 C 0 0 0
- 1.1786 0.3639 0.0000 C 0 0 0
- -2.4488 -0.4890 0.0000 C 0 0 0
- 2.4488 -0.4890 0.0000 C 0 0 0
- -3.6763 0.4243 0.0000 C 0 0 0
- 3.6763 0.4243 0.0000 C 0 0 0
- 0.0000 -1.6605 0.0000 H 0 0 0
- -0.3940 1.2012 0.0000 H 0 0 0
- -1.9219 1.2381 0.0000 H 0 0 0
- 1.9219 1.2381 0.0000 H 0 0 0
- 0.3940 1.2012 0.0000 H 0 0 0
- -3.2334 -1.3263 0.0000 H 0 0 0
- -1.7055 -1.3632 0.0000 H 0 0 0
- 1.7055 -1.3632 0.0000 H 0 0 0
- 3.2334 -1.3263 0.0000 H 0 0 0
- -2.9913 1.3449 0.0000 H 0 0 0
- -4.5969 1.1093 0.0000 H 0 0 0
- -4.3613 -0.4963 0.0000 H 0 0 0
- 4.3613 -0.4963 0.0000 H 0 0 0
- 4.5969 1.1093 0.0000 H 0 0 0
- 2.9913 1.3449 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-481-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.1396 0.9366 -0.0019 C 0 0 0
- -0.6503 -0.2285 -0.0009 C 0 0 0
- 1.6127 0.8123 -0.0013 C 0 0 0
- -0.4702 2.1844 0.0023 C 0 0 0
- 0.0071 -1.5481 0.0007 C 0 0 0
- -2.0425 -0.1204 -0.0020 C 0 0 0
- 2.2333 -0.5253 0.0004 C 0 0 0
- 2.3090 1.8080 -0.0026 O 0 0 0
- -1.8555 2.2788 0.0074 C 0 0 0
- 1.4798 -1.6332 0.0014 C 0 0 0
- -0.6623 -2.5627 0.0020 O 0 0 0
- -2.6356 1.1426 -0.0040 C 0 0 0
- -2.8129 -1.2354 -0.0015 O 0 0 0
- 3.7353 -0.6478 0.0006 C 0 0 0
- 0.1139 3.0527 0.0000 H 0 0 0
- -2.3112 3.2209 0.0000 H 0 0 0
- 1.9424 -2.5719 0.0000 H 0 0 0
- -3.6786 1.2276 0.0000 H 0 0 0
- -3.4078 -2.0964 0.0000 H 0 0 0
- 3.6502 -1.6908 0.0000 H 0 0 0
- 4.7783 -0.7329 0.0000 H 0 0 0
- 3.8204 0.3952 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 7 10 2 0
- 9 12 1 0
- 4 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24370-25-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -1.4541 0.8120 -0.0024 C 0 0 0
- -1.1193 -0.5522 -0.0015 C 0 0 0
- -0.2542 1.5026 -0.0018 N 0 0 0
- -2.7863 1.1979 0.0014 C 0 0 0
- 0.2371 -0.6305 -0.0004 N 0 0 0
- -2.1365 -1.5100 -0.0015 C 0 0 0
- 0.7469 0.5748 -0.0006 C 0 0 0
- -3.7786 0.2398 0.0060 C 0 0 0
- -3.4534 -1.1088 -0.0023 C 0 0 0
- 2.1003 0.8655 -0.0005 N 0 0 0
- 3.0043 -0.1342 0.0007 C 0 0 0
- 4.3220 0.1489 0.0008 N 0 0 0
- 2.6311 -1.2912 0.0019 O 0 0 0
- -0.1381 2.5296 0.0000 H 0 0 0
- -3.0349 2.2011 0.0000 H 0 0 0
- -1.9011 -2.5163 0.0000 H 0 0 0
- -4.7709 0.5285 0.0000 H 0 0 0
- -4.2055 -1.8177 0.0000 H 0 0 0
- 2.4176 1.8491 0.0000 H 0 0 0
- 5.0152 -0.6176 0.0000 H 0 0 0
- 4.6392 1.1325 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 5 7 2 0
- 8 9 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64099-25-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.2753 -0.0409 -0.0020 C 0 0 0
- -0.8700 0.7884 -0.0011 C 0 0 0
- 1.5522 0.4794 -0.0009 C 0 0 0
- -0.4192 -1.6712 0.0025 S 0 0 0
- -2.1124 0.0331 -0.0026 C 0 0 0
- -0.6479 2.1833 0.0015 C 0 0 0
- 1.7269 1.8380 0.0012 C 0 0 0
- 2.7254 -0.4233 -0.0014 N 0 3 0
- -2.0789 -1.2669 0.0053 N 0 0 0
- -3.3052 0.6838 -0.0019 O 0 0 0
- 0.6193 2.6774 0.0030 C 0 0 0
- 3.8513 0.0412 -0.0004 O 0 0 0
- 2.5647 -1.6307 -0.0028 O 0 5 0
- -4.3229 -0.3193 -0.0037 C 0 0 0
- -1.4594 2.8374 0.0000 H 0 0 0
- 2.6881 2.2412 0.0000 H 0 0 0
- 0.7631 3.7097 0.0000 H 0 0 0
- -5.0546 0.4230 0.0000 H 0 0 0
- -5.0652 -1.0510 0.0000 H 0 0 0
- -3.5912 -1.0616 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 1 0
- 5 9 2 0
- 7 11 1 0
- 6 15 1 0
- 7 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 1 0
- 14 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-03-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 62 1 V2000
- 3.9626 -0.1100 -0.4170 C 0 0 0
- 2.5369 0.4231 -0.5716 C 0 0 0
- 4.8943 1.0348 -0.0143 C 0 0 0
- 3.9866 -1.1372 0.6090 O 0 0 0
- 1.6192 -0.7046 -0.9682 C 0 0 0
- 6.3478 0.6115 -0.2360 C 0 0 0
- 4.2852 -2.4046 0.2830 C 0 0 0
- 0.6074 -1.0264 -0.2008 C 0 0 0
- 7.2795 1.7564 0.1667 C 0 0 0
- 4.1970 -3.4911 1.3236 C 0 0 0
- 4.6247 -2.6743 -0.8448 O 0 0 0
- -0.4756 -0.0171 0.0809 C 0 0 0
- 8.7329 1.3330 -0.0550 C 0 0 0
- -1.8448 -0.6630 -0.1403 C 0 0 0
- 9.6646 2.4779 0.3477 C 0 0 0
- -2.9443 0.3617 0.1457 C 0 0 0
- 11.1181 2.0545 0.1260 C 0 0 0
- -4.3135 -0.2842 -0.0755 C 0 0 0
- -5.4130 0.7405 0.2106 C 0 0 0
- -6.7822 0.0945 -0.0107 C 0 0 0
- -7.8818 1.1193 0.2754 C 0 0 0
- -9.2304 0.4830 0.0575 C 0 0 0
- -10.3493 1.1990 0.2504 O 0 0 0
- -9.3045 -0.6716 -0.2908 O 0 0 0
- -11.6487 0.5859 0.0405 C 0 0 0
- 5.0115 -0.4691 0.0000 H 0 0 0
- 3.0353 1.4134 0.0000 H 0 0 0
- 1.6063 1.0257 0.0000 H 0 0 0
- 5.3430 2.0486 0.0000 H 0 0 0
- 3.9491 1.6142 0.0000 H 0 0 0
- 2.2432 -1.6210 0.0000 H 0 0 0
- 5.8991 -0.4023 0.0000 H 0 0 0
- 7.2931 0.0321 0.0000 H 0 0 0
- 0.3642 -2.1081 0.0000 H 0 0 0
- 7.7282 2.7702 0.0000 H 0 0 0
- 6.3343 2.3358 0.0000 H 0 0 0
- 3.0919 -3.4014 0.0000 H 0 0 0
- 4.1073 -4.5962 0.0000 H 0 0 0
- 5.3021 -3.5808 0.0000 H 0 0 0
- 0.3766 0.6920 0.0000 H 0 0 0
- -1.0714 0.9179 0.0000 H 0 0 0
- 8.2842 0.3192 0.0000 H 0 0 0
- 9.6781 0.7536 0.0000 H 0 0 0
- -2.6970 -1.3721 0.0000 H 0 0 0
- -1.2490 -1.5980 0.0000 H 0 0 0
- 10.1133 3.4917 0.0000 H 0 0 0
- 8.7193 3.0573 0.0000 H 0 0 0
- -2.0921 1.0708 0.0000 H 0 0 0
- -3.5401 1.2967 0.0000 H 0 0 0
- 10.8080 0.9901 0.0000 H 0 0 0
- 12.1825 1.7444 0.0000 H 0 0 0
- 11.4282 3.1189 0.0000 H 0 0 0
- -5.1657 -0.9933 0.0000 H 0 0 0
- -3.7177 -1.2192 0.0000 H 0 0 0
- -4.5608 1.4496 0.0000 H 0 0 0
- -6.0089 1.6754 0.0000 H 0 0 0
- -7.6344 -0.6146 0.0000 H 0 0 0
- -6.1863 -0.8404 0.0000 H 0 0 0
- -7.0296 1.8284 0.0000 H 0 0 0
- -8.4777 2.0542 0.0000 H 0 0 0
- -12.1218 1.5886 0.0000 H 0 0 0
- -12.6514 0.1128 0.0000 H 0 0 0
- -11.1756 -0.4168 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 6 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 2 0
- 23 25 1 0
- 1 26 1 0
- 2 27 1 0
- 2 28 1 0
- 3 29 1 0
- 3 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 10 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 15 46 1 0
- 15 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 25 61 1 0
- 25 62 1 0
- 25 63 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-393-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.5580 1.1979 0.0031 C 0 0 0
- -1.2499 0.0001 0.0020 C 0 0 0
- 0.8244 1.1973 0.0026 C 0 0 0
- -1.2976 2.4800 -0.0014 N 0 3 0
- -0.5578 -1.1981 0.0004 C 0 0 0
- -2.9859 0.0001 0.0032 Cl 0 0 0
- 1.5152 0.0001 0.0010 C 0 0 0
- -0.6883 3.5347 -0.0004 O 0 0 0
- -2.5156 2.4805 -0.0060 O 0 5 0
- 0.8241 -1.1975 -0.0001 C 0 0 0
- -1.2974 -2.4802 -0.0013 N 0 3 0
- 3.0222 0.0001 0.0000 C 0 0 0
- -0.6880 -3.5348 -0.0026 O 0 0 0
- -2.5154 -2.4807 -0.0012 O 0 5 0
- 3.4885 -1.3189 -0.0015 F 0 0 0
- 3.4877 0.6607 -1.1420 F 0 0 0
- 3.4893 0.6585 1.1426 F 0 0 0
- 1.3431 2.0950 0.0000 H 0 0 0
- 1.3428 -2.0952 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 12 17 1 0
- 7 10 1 0
- 3 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-91-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.5102 0.0277 0.0000 C 0 0 0
- -0.6386 -0.8222 0.0005 O 0 0 0
- 0.4912 0.9116 1.2487 C 0 0 0
- 1.7781 -0.8286 0.0005 C 0 0 0
- 0.4912 0.9102 -1.2498 C 0 0 0
- -1.8164 0.0559 0.0000 O 0 0 0
- 1.5627 0.9346 0.0000 H 0 0 0
- 0.4682 1.9831 0.0000 H 0 0 0
- -0.5803 0.8886 0.0000 H 0 0 0
- 1.1783 -1.7168 0.0000 H 0 0 0
- 2.6663 -1.4284 0.0000 H 0 0 0
- 2.3779 0.0596 0.0000 H 0 0 0
- 1.5627 0.9333 0.0000 H 0 0 0
- 0.4681 1.9817 0.0000 H 0 0 0
- -0.5803 0.8871 0.0000 H 0 0 0
- -2.6756 0.6965 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103088-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 1.3389 0.1294 -0.0032 C 0 0 0
- -0.0202 -0.2456 -0.0026 C 0 0 0
- 1.6906 1.4902 -0.0016 C 0 0 0
- 2.4036 -0.8859 0.0007 C 0 0 0
- -1.0133 0.7659 -0.0003 C 0 0 0
- -0.4007 -1.6024 -0.0047 C 0 0 0
- 0.6890 2.4684 0.0001 C 0 0 0
- 3.1055 1.8839 -0.0013 C 0 0 0
- 3.8253 -0.4168 0.0004 C 0 0 0
- 2.1369 -2.0704 0.0045 O 0 0 0
- -2.4241 0.3649 0.0006 C 0 0 0
- -0.6422 2.1104 0.0016 C 0 0 0
- -1.7000 -1.9720 -0.0045 C 0 0 0
- 4.0961 0.9736 -0.0024 C 0 0 0
- 4.7371 -1.2200 0.0039 O 0 0 0
- -2.7395 -1.0126 -0.0011 C 0 0 0
- -3.4503 1.3111 0.0025 C 0 0 0
- -4.0844 -1.4071 -0.0003 C 0 0 0
- -4.7616 0.8914 0.0028 C 0 0 0
- -5.0703 -0.4633 0.0021 C 0 0 0
- 0.3440 -2.3443 0.0000 H 0 0 0
- 0.9546 3.4855 0.0000 H 0 0 0
- 3.3512 2.9060 0.0000 H 0 0 0
- -1.3830 2.8561 0.0000 H 0 0 0
- -1.9438 -2.9945 0.0000 H 0 0 0
- 5.0947 1.3019 0.0000 H 0 0 0
- -3.2234 2.3375 0.0000 H 0 0 0
- -4.3334 -2.4284 0.0000 H 0 0 0
- -5.5361 1.6022 0.0000 H 0 0 0
- -6.0771 -0.7655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 2 0
- 9 15 2 0
- 11 16 2 0
- 11 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 7 12 2 0
- 9 14 1 0
- 13 16 1 0
- 19 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90147-31-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -1.0574 0.0124 -0.0036 C 0 0 0
- -2.2340 -0.6481 -0.0027 O 0 0 0
- -1.3328 1.3641 -0.0012 C 0 0 0
- 0.2303 -0.5768 -0.0012 C 0 0 0
- -3.2416 0.2355 0.0002 C 0 0 0
- -2.7305 1.4867 0.0012 C 0 0 0
- 1.3357 0.2091 -0.0024 C 0 0 0
- -4.6825 -0.1041 0.0012 N 0 3 0
- 2.6228 -0.3799 0.0000 C 0 0 0
- -5.5173 0.7828 0.0038 O 0 0 0
- -5.0332 -1.2705 -0.0007 O 0 5 0
- 3.7213 0.4011 -0.0012 N 0 0 0
- 2.7377 -1.5922 0.0032 O 0 0 0
- 5.0534 -0.2085 0.0013 C 0 0 0
- 6.1174 0.8910 -0.0008 C 0 0 0
- 7.5086 0.2544 0.0018 C 0 0 0
- -0.6497 2.1295 0.0000 H 0 0 0
- 0.3271 -1.5981 0.0000 H 0 0 0
- -3.2648 2.3625 0.0000 H 0 0 0
- 1.2390 1.2304 0.0000 H 0 0 0
- 3.6246 1.4224 0.0000 H 0 0 0
- 4.5238 -1.0871 0.0000 H 0 0 0
- 5.8665 -0.8340 0.0000 H 0 0 0
- 6.6470 1.7697 0.0000 H 0 0 0
- 5.3042 1.5165 0.0000 H 0 0 0
- 7.0817 -0.6785 0.0000 H 0 0 0
- 8.4415 -0.1725 0.0000 H 0 0 0
- 7.9355 1.1873 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 5 6 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 12 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-34-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.6422 -1.2597 -0.0036 C 0 0 0
- -0.7526 -1.1919 -0.0028 C 0 0 0
- 1.3920 -0.0821 -0.0026 C 0 0 0
- 1.3212 -2.5717 0.0005 C 0 0 0
- -1.3801 0.0363 -0.0009 C 0 0 0
- 0.7514 1.1398 -0.0007 C 0 0 0
- 2.6669 -2.6337 -0.0003 O 0 0 0
- 0.6661 -3.5946 0.0046 O 0 0 0
- -0.6307 1.1997 0.0006 C 0 0 0
- -2.8585 0.1102 0.0000 N 0 3 0
- 1.5447 2.3894 0.0005 N 0 3 0
- -3.4140 1.1941 0.0016 O 0 0 0
- -3.5194 -0.9129 -0.0010 O 0 5 0
- 0.9806 3.4689 0.0021 O 0 0 0
- 2.7617 2.3382 -0.0003 O 0 5 0
- -1.3140 -2.0611 0.0000 H 0 0 0
- 2.4258 -0.1256 0.0000 H 0 0 0
- 3.7005 -2.6813 0.0000 H 0 0 0
- -1.1063 2.1186 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 6 9 2 0
- 2 16 1 0
- 3 17 1 0
- 7 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4584-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -4.8305 -0.0242 0.0028 C 0 0 0
- -4.2854 -1.3041 0.0009 C 0 0 0
- -3.9982 1.0900 0.0041 C 0 0 0
- -6.2154 0.1421 -0.0023 N 0 0 0
- -2.9186 -1.4724 0.0002 C 0 0 0
- -2.6299 0.9299 0.0034 C 0 0 0
- -6.7914 1.4891 -0.0003 C 0 0 0
- -7.0939 -1.0302 -0.0097 C 0 0 0
- -2.0784 -0.3546 0.0014 C 0 0 0
- -0.6158 -0.5302 0.0002 C 0 0 0
- 0.1896 0.5445 0.0013 C 0 0 0
- 1.6528 0.3688 0.0001 C 0 0 0
- 2.4938 1.4846 0.0013 C 0 0 0
- 2.2059 -0.9147 0.0036 C 0 0 0
- 3.8624 1.3123 0.0006 C 0 0 0
- 3.5760 -1.0713 0.0028 C 0 0 0
- 4.4028 0.0386 -0.0013 C 0 0 0
- 5.8727 -0.1379 -0.0020 N 0 3 0
- 6.3516 -1.2578 -0.0037 O 0 0 0
- 6.6031 0.8368 -0.0010 O 0 5 0
- -4.9130 -2.1376 0.0000 H 0 0 0
- -4.4106 2.0484 0.0000 H 0 0 0
- -2.5105 -2.4326 0.0000 H 0 0 0
- -2.0061 1.7662 0.0000 H 0 0 0
- -5.8321 1.8993 0.0000 H 0 0 0
- -7.2016 2.4484 0.0000 H 0 0 0
- -7.7507 1.0789 0.0000 H 0 0 0
- -7.9288 -0.4045 0.0000 H 0 0 0
- -7.7196 -1.8651 0.0000 H 0 0 0
- -6.2590 -1.6559 0.0000 H 0 0 0
- -0.2056 -1.4895 0.0000 H 0 0 0
- -0.2206 1.5038 0.0000 H 0 0 0
- 2.0876 2.4457 0.0000 H 0 0 0
- 1.5838 -1.7523 0.0000 H 0 0 0
- 4.4917 2.1445 0.0000 H 0 0 0
- 3.9903 -2.0289 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 6 9 2 0
- 16 17 1 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 11 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3344-12-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 0.5858 -0.7506 0.0589 C 0 0 0
- 0.1444 0.7172 1.0291 S 0 0 0
- 2.0595 -1.0907 0.2905 C 0 0 0
- -0.2715 -1.9132 0.4884 C 0 0 0
- -1.7768 1.1227 0.2297 P 0 0 0
- 2.9168 0.0718 -0.1390 C 0 0 0
- -0.5909 -2.8734 -0.3934 O 0 0 0
- -0.6714 -1.9809 1.6266 O 0 0 0
- -2.3556 2.4753 0.8836 O 0 0 0
- -1.6320 1.3597 -1.8720 S 0 0 0
- -2.6870 -0.0029 0.5377 O 0 0 0
- 4.2524 -0.0015 -0.0265 O 0 0 0
- 2.4020 1.0700 -0.5846 O 0 0 0
- -1.4170 -3.9935 0.0204 C 0 0 0
- -2.4325 2.2526 2.2931 C 0 0 0
- -3.3547 1.7731 -2.2618 C 0 0 0
- 5.0784 1.1186 -0.4403 C 0 0 0
- -1.6297 -4.9360 -1.1659 C 0 0 0
- 6.5520 0.7785 -0.2087 C 0 0 0
- -0.4622 -0.5689 0.0000 H 0 0 0
- 1.6818 -2.0850 0.0000 H 0 0 0
- 2.9933 -1.5999 0.0000 H 0 0 0
- -1.9725 -3.0865 0.0000 H 0 0 0
- -2.4663 -4.1669 0.0000 H 0 0 0
- -3.4378 2.5997 0.0000 H 0 0 0
- -2.7796 1.2473 0.0000 H 0 0 0
- -1.4272 1.9055 0.0000 H 0 0 0
- -3.1065 2.8073 0.0000 H 0 0 0
- -4.3889 2.0213 0.0000 H 0 0 0
- -3.6029 0.7389 0.0000 H 0 0 0
- 5.4561 2.1129 0.0000 H 0 0 0
- 4.1446 1.6278 0.0000 H 0 0 0
- -2.6672 -4.7019 0.0000 H 0 0 0
- -1.8638 -5.9735 0.0000 H 0 0 0
- -0.5922 -5.1701 0.0000 H 0 0 0
- 6.3128 -0.2578 0.0000 H 0 0 0
- 7.5883 0.5393 0.0000 H 0 0 0
- 6.7912 1.8148 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 14 18 1 0
- 17 19 1 0
- 1 20 1 0
- 3 21 1 0
- 3 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6146-52-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -1.2146 0.6395 -0.0026 C 0 0 0
- -1.6564 -0.6960 -0.0017 C 0 0 0
- 0.1530 0.9209 -0.0020 C 0 0 0
- -2.4241 1.4659 0.0016 C 0 0 0
- -0.7190 -1.7240 0.0003 C 0 0 0
- -3.0330 -0.6685 -0.0026 N 0 0 0
- 1.0564 -0.1041 -0.0004 C 0 0 0
- -3.4724 0.6273 0.0048 C 0 0 0
- 0.6254 -1.4239 0.0013 C 0 0 0
- 2.5060 0.1949 0.0003 N 0 3 0
- 3.3155 -0.7152 0.0016 O 0 0 0
- 2.8894 1.3509 -0.0006 O 0 5 0
- 0.4807 1.9007 0.0000 H 0 0 0
- -2.4630 2.4983 0.0000 H 0 0 0
- -1.0301 -2.7091 0.0000 H 0 0 0
- -3.6433 -1.5021 0.0000 H 0 0 0
- -4.4640 0.9173 0.0000 H 0 0 0
- 1.3200 -2.1886 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-78-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7162 0.7434 0.0020 C 0 0 0
- -1.0981 -0.5919 0.0007 C 0 0 0
- 0.6325 1.0769 0.0017 C 0 0 0
- -1.6858 1.7488 -0.0023 N 0 0 0
- -0.1367 -1.5836 -0.0008 C 0 0 0
- -2.5599 -0.9584 0.0004 C 0 0 0
- 1.5885 0.0805 0.0002 C 0 0 0
- 1.2047 -1.2482 -0.0010 C 0 0 0
- 3.0517 0.4413 -0.0005 C 0 0 0
- 0.9222 2.0774 0.0000 H 0 0 0
- -1.3980 2.7499 0.0000 H 0 0 0
- -2.6967 1.4975 0.0000 H 0 0 0
- -0.4225 -2.5853 0.0000 H 0 0 0
- -2.8132 0.0520 0.0000 H 0 0 0
- -3.5703 -1.2117 0.0000 H 0 0 0
- -2.3066 -1.9688 0.0000 H 0 0 0
- 1.9278 -1.9979 0.0000 H 0 0 0
- 3.3011 -0.5700 0.0000 H 0 0 0
- 4.0630 0.6907 0.0000 H 0 0 0
- 2.8023 1.4526 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104671-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 1.2656 -0.1082 -0.0610 C 0 0 0
- 0.0300 0.3430 -0.3351 O 0 0 0
- 2.3148 0.7370 -0.0958 N 0 0 0
- 1.4363 -1.2777 0.2232 O 0 0 0
- -0.9182 -0.4208 -0.3037 N 0 0 0
- 3.6619 0.2450 0.2031 C 0 0 0
- -2.1389 0.0363 0.0244 C 0 0 0
- -3.3121 -0.9088 0.0633 C 0 0 0
- -2.2963 1.2101 0.2894 O 0 0 0
- 2.1545 1.7059 0.0000 H 0 0 0
- -0.7618 -1.3904 0.0000 H 0 0 0
- 3.3250 -0.6775 0.0000 H 0 0 0
- 4.5844 -0.0919 0.0000 H 0 0 0
- 3.9988 1.1675 0.0000 H 0 0 0
- -3.9282 -0.1440 0.0000 H 0 0 0
- -4.0769 -1.5249 0.0000 H 0 0 0
- -2.6960 -1.6736 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -1.3685 -0.3841 0.0611 C 0 0 0
- -2.4011 0.6213 0.0362 C 0 0 0
- 0.0562 -0.0210 0.1255 C 0 0 0
- -1.7754 -1.7019 0.0276 C 0 0 0
- -3.6761 0.1895 -0.0233 C 0 0 0
- 0.9972 -0.9857 0.1473 N 0 0 0
- 0.3847 1.1498 0.1591 O 0 0 0
- -3.5017 -1.5830 -0.0355 S 0 0 0
- -4.9192 0.9924 -0.0602 N 0 3 0
- 2.3533 -0.6431 0.0753 C 0 0 0
- -6.0017 0.4368 -0.1140 O 0 0 0
- -4.8594 2.2087 -0.0368 O 0 5 0
- 3.3158 -1.6372 -0.0378 C 0 0 0
- 2.7354 0.6916 0.1112 C 0 0 0
- 4.6528 -1.2985 -0.1092 C 0 0 0
- 4.0724 1.0287 0.0397 C 0 0 0
- 5.0341 0.0344 -0.0680 C 0 0 0
- 6.3506 0.3672 -0.1383 O 0 0 0
- 6.4204 1.7929 -0.0719 C 0 0 0
- -2.1719 1.6333 0.0000 H 0 0 0
- -1.1884 -2.5575 0.0000 H 0 0 0
- 0.7152 -1.9843 0.0000 H 0 0 0
- 3.0323 -2.6353 0.0000 H 0 0 0
- 2.0135 1.4369 0.0000 H 0 0 0
- 5.3752 -2.0433 0.0000 H 0 0 0
- 4.3567 2.0266 0.0000 H 0 0 0
- 7.4568 1.7422 0.0000 H 0 0 0
- 6.4711 2.8293 0.0000 H 0 0 0
- 5.3840 1.8436 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 5 8 1 0
- 16 17 1 0
- 2 20 1 0
- 4 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 19 27 1 0
- 19 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60883-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -1.7252 -1.7516 -0.7719 C 0 0 0
- -1.7257 -1.7549 0.7642 C 0 0 0
- -0.4844 -1.8801 -0.0039 N 0 0 0
- -1.7403 -0.4161 -1.4768 C 0 0 0
- -1.7401 -0.4224 1.4748 C 0 0 0
- 1.1630 -2.0487 -0.0038 S 0 0 0
- -1.7537 0.7629 -0.7401 C 0 0 0
- -1.7409 -0.3745 -2.8567 C 0 0 0
- -1.7526 0.7598 0.7432 C 0 0 0
- -1.7405 -0.3867 2.8549 C 0 0 0
- 1.8582 -0.4297 -0.0008 C 0 0 0
- 1.4933 -2.6131 1.2577 O 0 0 0
- 1.4938 -2.6086 -1.2673 O 0 0 0
- -1.7677 1.9882 -1.4122 C 0 0 0
- -1.7548 0.8419 -3.5145 C 0 0 0
- -1.7655 1.9822 1.4205 C 0 0 0
- -1.7534 0.8268 3.5179 C 0 0 0
- 2.1307 0.2031 1.1974 C 0 0 0
- 2.1365 0.2054 -1.1969 C 0 0 0
- -1.7683 2.0206 -2.7904 C 0 0 0
- -1.7663 2.0087 2.7989 C 0 0 0
- 2.6762 1.4735 1.1998 C 0 0 0
- 2.6819 1.4753 -1.1945 C 0 0 0
- 2.9491 2.1107 0.0040 C 0 0 0
- 3.5437 3.4954 0.0066 C 0 0 0
- -2.6095 -1.6900 0.0000 H 0 0 0
- -2.3800 -2.3530 0.0000 H 0 0 0
- -2.6273 -0.3860 0.0000 H 0 0 0
- -2.6269 -0.3964 0.0000 H 0 0 0
- -0.8813 2.0015 0.0000 H 0 0 0
- -0.8684 0.8520 0.0000 H 0 0 0
- -0.8792 2.0003 0.0000 H 0 0 0
- -0.8670 0.8363 0.0000 H 0 0 0
- 2.9451 -0.1471 0.0000 H 0 0 0
- 2.9497 -0.1474 0.0000 H 0 0 0
- -1.7816 2.9070 0.0000 H 0 0 0
- -1.7845 2.8950 0.0000 H 0 0 0
- 3.4909 1.1241 0.0000 H 0 0 0
- 3.4978 1.1286 0.0000 H 0 0 0
- 4.3583 3.1456 0.0000 H 0 0 0
- 3.8935 4.3100 0.0000 H 0 0 0
- 2.7291 3.8452 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 2 0
- 11 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 1 0
- 19 23 2 0
- 22 24 2 0
- 24 25 1 0
- 2 3 1 0
- 7 9 1 0
- 15 20 1 0
- 17 21 1 0
- 23 24 1 0
- 1 26 1 0
- 2 27 1 0
- 8 28 1 0
- 10 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 25 40 1 0
- 25 41 1 0
- 25 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31698-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.4349 0.0224 -1.0805 C 0 0 2
- -0.7391 -1.3468 -0.4056 C 0 0 1
- 0.9736 0.2497 -0.7029 N 0 0 0
- -1.2571 0.9701 -0.3697 O 0 0 0
- 0.2293 -1.3779 0.6556 O 0 0 0
- -2.1369 -1.1481 0.2197 C 0 0 1
- 1.2923 -0.6179 0.2946 C 0 0 0
- 1.8870 1.1416 -1.1992 C 0 0 0
- -2.5180 0.3008 -0.1545 C 0 0 1
- -3.0619 -2.0549 -0.3836 O 0 0 0
- 2.5126 -0.6423 0.7990 N 0 0 0
- 3.1406 1.1528 -0.7080 C 0 0 0
- -3.2490 0.9553 1.0195 C 0 0 0
- 3.4708 0.1926 0.3538 C 0 0 0
- -3.5225 2.3228 0.7076 O 0 0 0
- 4.6872 0.1496 0.8640 N 0 0 0
- -1.3610 -0.2121 0.0000 H 0 0 0
- -0.8218 -2.2985 0.0000 H 0 0 0
- -1.8390 -2.0558 0.0000 H 0 0 0
- 1.5227 2.0247 0.0000 H 0 0 0
- -3.3330 -0.1976 0.0000 H 0 0 0
- -3.7441 -2.7237 0.0000 H 0 0 0
- 3.6920 1.9329 0.0000 H 0 0 0
- -4.1984 1.0619 0.0000 H 0 0 0
- -3.6394 0.0834 0.0000 H 0 0 0
- -3.7099 3.2596 0.0000 H 0 0 0
- 5.6419 0.1159 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 2 0
- 9 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 2 0
- 5 7 1 0
- 6 9 1 0
- 12 14 1 0
- 1 17 1 0
- 2 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-982-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- -2.1116 -0.9573 0.2445 C 0 0 0
- -2.5774 -2.3915 -0.0143 C 0 0 0
- -0.9000 -0.6893 -0.5342 N 0 0 0
- -3.2126 0.0197 -0.1730 C 0 0 0
- -1.3886 -3.3174 0.0078 C 0 0 0
- -3.5041 -2.7818 1.0009 O 0 0 0
- 0.2372 -0.3270 0.0920 C 0 0 0
- -2.8322 1.3686 0.2065 O 0 0 0
- -0.7125 -3.5462 1.1919 C 0 0 0
- -0.9776 -3.9423 -1.1544 C 0 0 0
- 1.4567 0.0404 -0.7135 C 0 0 0
- 0.2790 -0.2968 1.3037 O 0 0 0
- -3.6513 2.3976 -0.0619 C 0 0 0
- 0.3778 -4.3953 1.2123 C 0 0 0
- 0.1131 -4.7917 -1.1341 C 0 0 0
- 1.0753 1.4486 -1.7729 Cl 0 0 0
- 2.8050 0.4752 0.4018 Cl 0 0 0
- -3.2564 3.7976 0.3320 C 0 0 0
- -4.7051 2.2013 -0.6194 O 0 0 0
- 0.7924 -5.0160 0.0485 C 0 0 0
- -4.3574 4.7745 -0.0855 C 0 0 0
- 1.9601 -5.9254 0.0703 N 0 3 0
- -3.9626 6.1745 0.3084 C 0 0 0
- 2.3253 -6.4722 -0.9550 O 0 0 0
- 2.5556 -6.1270 1.1134 O 0 5 0
- -2.8955 6.3732 0.8728 O 0 0 0
- -4.7092 7.1124 0.0637 O 0 0 0
- 14.8922 6.1030 0.2659 Na 0 3 0
- -1.8715 -0.0327 0.0000 H 0 0 0
- -3.2808 -1.7452 0.0000 H 0 0 0
- -0.6516 -1.6117 0.0000 H 0 0 0
- -4.0828 0.4137 0.0000 H 0 0 0
- -3.7325 -0.7817 0.0000 H 0 0 0
- -4.3844 -3.1526 0.0000 H 0 0 0
- -0.2596 -2.7052 0.0000 H 0 0 0
- -1.6795 -4.5902 0.0000 H 0 0 0
- 1.7411 -0.8715 0.0000 H 0 0 0
- 1.0774 -3.7449 0.0000 H 0 0 0
- -0.3367 -5.6344 0.0000 H 0 0 0
- -2.3862 3.4036 0.0000 H 0 0 0
- -2.7365 4.5990 0.0000 H 0 0 0
- -5.2276 5.1685 0.0000 H 0 0 0
- -4.8772 3.9731 0.0000 H 0 0 0
- -5.3041 7.8598 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 13 18 1 0
- 13 19 2 0
- 14 20 1 0
- 18 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 2 0
- 22 25 1 0
- 23 26 2 0
- 23 27 1 0
- 15 20 2 0
- 1 29 1 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 9 35 1 0
- 10 36 1 0
- 11 37 1 0
- 14 38 1 0
- 15 39 1 0
- 18 40 1 0
- 18 41 1 0
- 21 42 1 0
- 21 43 1 0
- 27 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-620-25-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6726 -0.2355 -0.0024 C 0 0 0
- -0.4887 -0.9974 -0.0016 C 0 0 0
- 0.5899 1.1514 -0.0014 C 0 0 0
- 1.9209 -0.8622 0.0016 N 0 0 0
- -1.7215 -0.3744 0.0003 C 0 0 0
- -0.6458 1.7677 0.0004 C 0 0 0
- 3.1038 -0.0839 0.0007 O 0 0 0
- -1.8002 1.0060 0.0013 C 0 0 0
- -2.9821 -1.2002 0.0007 C 0 0 0
- -0.4300 -2.0374 0.0000 H 0 0 0
- 1.4590 1.7256 0.0000 H 0 0 0
- 1.9816 -1.9021 0.0000 H 0 0 0
- -0.7086 2.8075 0.0000 H 0 0 0
- 3.9740 0.4887 0.0000 H 0 0 0
- -2.7311 1.4734 0.0000 H 0 0 0
- -3.5529 -0.3288 0.0000 H 0 0 0
- -3.8535 -1.7710 0.0000 H 0 0 0
- -2.4113 -2.0716 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4557 0.5154 -0.0139 C 0 0 0
- -0.8858 -0.8109 0.0579 C 0 0 0
- 0.9114 0.7992 -0.0368 C 0 0 0
- -1.4425 1.6133 -0.0715 C 0 0 0
- 0.0411 -1.8317 0.1058 C 0 0 0
- -2.3329 -1.1211 0.0832 N 0 3 0
- 1.8272 -0.2310 0.0115 C 0 0 0
- -2.0803 1.8857 -1.2263 O 0 0 0
- -1.6787 2.2703 0.9225 O 0 0 0
- 1.3940 -1.5434 0.0827 C 0 0 0
- -2.7620 -2.0762 -0.5390 O 0 0 0
- -3.0946 -0.4213 0.7263 O 0 5 0
- 3.2767 0.0678 -0.0132 N 0 3 0
- 4.0866 -0.8409 0.0295 O 0 0 0
- 3.6595 1.2224 -0.0762 O 0 5 0
- 1.2364 1.7809 0.0000 H 0 0 0
- -0.2761 -2.8160 0.0000 H 0 0 0
- -3.0313 2.2919 0.0000 H 0 0 0
- 2.0844 -2.3133 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 13 14 2 0
- 13 15 1 0
- 7 10 1 0
- 3 16 1 0
- 5 17 1 0
- 8 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- -5.5570 0.5346 1.0201 C 0 0 0
- -4.8673 0.5562 -0.2093 C 0 0 0
- -5.8539 1.7507 1.6880 C 0 0 0
- -5.9598 -0.6872 1.5889 C 0 0 0
- -4.4964 1.8095 -0.7296 C 0 0 0
- -4.5667 -0.6115 -0.8792 N 0 0 0
- -5.4927 2.9280 1.1765 N 0 0 0
- -6.5457 1.7027 2.9171 C 0 0 0
- -6.6269 -0.6922 2.7789 C 0 0 0
- -4.8400 3.0195 0.0211 C 0 0 0
- -3.8074 1.9311 -1.9473 C 0 0 0
- -3.2428 -1.0397 -0.4081 C 0 0 0
- -6.9158 0.5059 3.4414 C 0 0 0
- -7.0153 -1.8742 3.3270 O 0 0 0
- -4.4635 4.2685 -0.5098 C 0 0 0
- -3.4724 3.1674 -2.4064 C 0 0 0
- -2.8451 -2.3371 -1.1148 C 0 0 0
- -7.6806 -1.5624 4.5527 C 0 0 0
- -3.7966 4.3215 -1.6948 C 0 0 0
- -1.4662 -2.7831 -0.6242 C 0 0 0
- -3.3389 5.8674 -2.3383 Cl 0 0 0
- -1.0844 -4.0288 -1.3027 N 0 0 0
- 0.2410 -4.3999 -0.7894 C 0 0 0
- -2.0201 -5.0637 -0.8431 C 0 0 0
- 1.2576 -4.3692 -1.9324 C 0 0 0
- -2.4334 -5.9398 -2.0274 C 0 0 0
- 2.8843 -4.8247 -1.3024 Cl 0 0 0
- 14.2897 0.2583 0.1369 Cl 0 0 0
- 22.6651 2.0194 1.4605 Cl 0 0 0
- -5.4067 -1.4459 0.0000 H 0 0 0
- -5.2505 -1.2549 0.0000 H 0 0 0
- -7.1288 2.4386 0.0000 H 0 0 0
- -3.1740 1.2381 0.0000 H 0 0 0
- -2.3081 -0.9516 0.0000 H 0 0 0
- -3.1403 -0.1064 0.0000 H 0 0 0
- -7.8542 0.5356 0.0000 H 0 0 0
- -5.0529 4.9993 0.0000 H 0 0 0
- -2.5335 3.1717 0.0000 H 0 0 0
- -3.7798 -2.4252 0.0000 H 0 0 0
- -2.9476 -3.2704 0.0000 H 0 0 0
- -7.2822 -0.7123 0.0000 H 0 0 0
- -8.5307 -1.1640 0.0000 H 0 0 0
- -8.0790 -2.4125 0.0000 H 0 0 0
- -0.5315 -2.6950 0.0000 H 0 0 0
- -1.3637 -1.8499 0.0000 H 0 0 0
- -0.3606 -5.1207 0.0000 H 0 0 0
- 0.6517 -5.2442 0.0000 H 0 0 0
- -2.3945 -4.2027 0.0000 H 0 0 0
- -2.9589 -5.0493 0.0000 H 0 0 0
- 1.8592 -3.6484 0.0000 H 0 0 0
- 0.8469 -3.5249 0.0000 H 0 0 0
- -3.2825 -5.5392 0.0000 H 0 0 0
- -2.8340 -6.7889 0.0000 H 0 0 0
- -1.5843 -6.3404 0.0000 H 0 0 0
- 15.2286 0.2583 0.0000 H 0 0 0
- 23.6040 2.0194 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 7 10 1 0
- 9 13 1 0
- 16 19 2 0
- 4 30 1 0
- 6 31 1 0
- 8 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 13 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 18 43 1 0
- 20 44 1 0
- 20 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 26 52 1 0
- 26 53 1 0
- 26 54 1 0
- 28 55 1 0
- 29 56 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86607-81-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.3977 1.1144 -0.0020 C 0 0 0
- -0.4756 0.0181 -0.0006 C 0 0 0
- 1.7575 0.5420 -0.0013 C 0 0 0
- -0.1047 2.4114 0.0013 C 0 0 0
- 0.2592 -1.1158 0.0009 O 0 0 0
- -1.8469 0.2447 -0.0013 C 0 0 0
- 1.5838 -0.8488 0.0005 C 0 0 0
- 3.0362 1.0892 -0.0020 C 0 0 0
- -1.4684 2.6165 0.0060 C 0 0 0
- -2.3345 1.5345 -0.0034 C 0 0 0
- -2.7852 -0.9001 -0.0003 N 0 3 0
- 2.7044 -1.6712 0.0016 C 0 0 0
- 4.1360 0.2573 -0.0009 C 0 0 0
- -3.9871 -0.7024 -0.0009 O 0 0 0
- -2.3554 -2.0397 0.0011 O 0 5 0
- 3.9676 -1.1184 0.0009 C 0 0 0
- 0.5451 3.2228 0.0000 H 0 0 0
- 3.1623 2.1210 0.0000 H 0 0 0
- -1.8474 3.5844 0.0000 H 0 0 0
- -3.3612 1.6968 0.0000 H 0 0 0
- 2.5900 -2.7044 0.0000 H 0 0 0
- 5.0931 0.6628 0.0000 H 0 0 0
- 4.8013 -1.7392 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 11 14 2 0
- 11 15 1 0
- 12 16 2 0
- 5 7 1 0
- 9 10 1 0
- 13 16 1 0
- 4 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 16 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-145439-00-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- -1.4800 -0.6730 0.3308 C 0 0 0
- -0.5801 -1.2807 -0.5360 C 0 0 0
- -1.3964 0.6323 0.8683 C 0 0 0
- -2.4807 -1.6077 0.5563 N 0 0 0
- 0.5843 -0.7151 -1.0438 N 0 0 0
- -1.0407 -2.5099 -0.7919 N 0 0 0
- -1.8642 1.6821 0.1643 N 0 0 0
- -0.9021 0.8077 1.9666 O 0 0 0
- -2.1651 -2.7054 -0.1535 C 0 0 0
- -3.6596 -1.4316 1.4081 C 0 0 0
- 1.6109 -0.4307 -0.2181 C 0 0 0
- 0.6953 -0.4285 -2.4762 C 0 0 0
- -2.4937 1.4862 -0.9444 N 0 0 0
- -1.6577 3.0458 0.6583 C 0 0 0
- 2.7384 0.1169 -0.7098 O 0 0 0
- 1.5189 -0.6684 0.9698 O 0 0 0
- -3.0163 2.4227 -1.5217 O 0 0 0
- 3.8737 0.3498 0.1650 C 0 0 0
- 4.3166 -0.9749 0.7894 C 0 0 0
- 5.0282 0.9431 -0.6449 C 0 0 0
- 3.4725 1.3266 1.2721 C 0 0 0
- -2.6225 -3.4360 0.0000 H 0 0 0
- -3.5323 -0.5791 0.0000 H 0 0 0
- -4.5121 -1.3043 0.0000 H 0 0 0
- -3.7869 -2.2841 0.0000 H 0 0 0
- 1.4991 -0.7398 0.0000 H 0 0 0
- 1.0066 0.3753 0.0000 H 0 0 0
- -0.1085 -0.1172 0.0000 H 0 0 0
- -0.8054 2.9167 0.0000 H 0 0 0
- -1.5286 3.8981 0.0000 H 0 0 0
- -2.5100 3.1749 0.0000 H 0 0 0
- 3.4991 -1.2482 0.0000 H 0 0 0
- 4.5899 -1.7924 0.0000 H 0 0 0
- 5.1341 -0.7016 0.0000 H 0 0 0
- 5.4222 0.1764 0.0000 H 0 0 0
- 5.7949 1.3371 0.0000 H 0 0 0
- 4.6342 1.7098 0.0000 H 0 0 0
- 4.2698 1.6541 0.0000 H 0 0 0
- 3.1450 2.1239 0.0000 H 0 0 0
- 2.6752 0.9991 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 11 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 18 19 1 0
- 18 20 1 0
- 18 21 1 0
- 6 9 2 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
- 21 39 1 0
- 21 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-591-27-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.0147 -0.9834 0.0000 C 0 0 0
- -1.2344 -0.3210 0.0002 C 0 0 0
- 1.1656 -0.2567 -0.0002 C 0 0 0
- -1.2683 1.0683 0.0001 C 0 0 0
- -2.4259 -1.0496 -0.0001 N 0 0 0
- 1.1255 1.1305 -0.0002 C 0 0 0
- 2.3615 -0.9022 0.0001 O 0 0 0
- -0.0899 1.7886 0.0000 C 0 0 0
- 0.0136 -2.0232 0.0000 H 0 0 0
- -2.1817 1.5660 0.0000 H 0 0 0
- -3.3396 -0.5524 0.0000 H 0 0 0
- -2.3997 -2.0895 0.0000 H 0 0 0
- 2.0114 1.6757 0.0000 H 0 0 0
- 3.2769 -1.3963 0.0000 H 0 0 0
- -0.1171 2.8284 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 1 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59485-08-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.0111 0.5539 0.1107 C 0 0 0
- -2.3449 0.8096 0.1587 O 0 0 0
- -0.1084 1.5970 -0.0386 C 0 0 0
- -0.5494 -0.7499 0.2166 C 0 0 0
- -3.0016 -0.4498 0.3154 C 0 0 0
- 1.2468 1.3344 -0.0872 C 0 0 0
- 0.8072 -1.0073 0.1675 C 0 0 0
- -4.5147 -0.2319 0.3768 C 0 0 0
- -3.8545 -0.6852 -0.8067 O 0 0 0
- 1.7042 0.0332 0.0129 C 0 0 0
- 3.1568 -0.2454 -0.0399 N 0 3 0
- 3.5608 -1.3910 0.0481 O 0 0 0
- 3.9483 0.6711 -0.1714 O 0 5 0
- -0.4466 2.5747 0.0000 H 0 0 0
- -1.2229 -1.5351 0.0000 H 0 0 0
- -2.3513 -1.2544 0.0000 H 0 0 0
- 1.9228 2.1175 0.0000 H 0 0 0
- 1.1482 -1.9840 0.0000 H 0 0 0
- -4.7482 0.7759 0.0000 H 0 0 0
- -5.3695 -0.8147 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 10 11 1 0
- 11 12 2 0
- 11 13 1 0
- 7 10 2 0
- 8 9 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.7838 0.0744 -0.0019 C 0 0 0
- -0.8646 -1.3090 -0.0935 C 0 0 0
- 0.4512 0.6907 0.0528 C 0 0 0
- -2.0197 0.8880 0.0311 N 0 3 0
- 0.2976 -2.0691 -0.1300 C 0 0 0
- -2.1126 -1.9352 -0.1485 N 0 0 0
- 1.6071 -0.0689 0.0162 C 0 0 0
- -2.1852 1.7776 -0.7842 O 0 0 0
- -2.8714 0.6679 0.8736 O 0 5 0
- 1.5295 -1.4477 -0.0751 C 0 0 0
- 3.1575 0.7091 0.0845 Cl 0 0 0
- 0.5126 1.7262 0.0000 H 0 0 0
- 0.2395 -3.1048 0.0000 H 0 0 0
- -2.9791 -1.3648 0.0000 H 0 0 0
- -2.1733 -2.9708 0.0000 H 0 0 0
- 2.3973 -2.0161 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60259-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.9918 -0.8526 0.0086 C 0 0 0
- 2.6473 -0.6208 1.2036 C 0 0 0
- 2.6486 -0.6496 -1.1905 C 0 0 0
- 0.5633 -1.3325 0.0135 C 0 0 0
- 3.9593 -0.1861 1.1992 C 0 0 0
- 3.9610 -0.2148 -1.1949 C 0 0 0
- -0.3395 -0.1787 0.0024 N 0 0 0
- 4.6163 0.0169 -0.0003 C 0 0 0
- -1.7267 -0.3747 0.0046 N 0 0 0
- 6.0215 0.4819 -0.0050 N 0 3 0
- -2.5216 0.6412 -0.0052 N 0 0 0
- 6.6002 0.6607 -1.0617 O 0 0 0
- 6.5991 0.6857 1.0478 O 0 5 0
- -3.8802 0.4493 -0.0031 C 0 0 0
- -4.7426 1.5459 -0.0136 C 0 0 0
- -4.4052 -0.8437 0.0037 C 0 0 0
- -6.1080 1.3461 -0.0119 C 0 0 0
- -5.7721 -1.0299 0.0053 C 0 0 0
- -6.6221 0.0620 0.0002 C 0 0 0
- -8.1142 -0.1488 0.0024 C 0 0 0
- 2.3115 0.3599 0.0000 H 0 0 0
- 2.9647 -1.6368 0.0000 H 0 0 0
- -0.3201 -1.8749 0.0000 H 0 0 0
- 1.0024 -2.2715 0.0000 H 0 0 0
- 3.6433 0.8012 0.0000 H 0 0 0
- 4.2968 -1.1955 0.0000 H 0 0 0
- 0.0481 0.7827 0.0000 H 0 0 0
- -4.3585 2.5087 0.0000 H 0 0 0
- -3.7694 -1.6625 0.0000 H 0 0 0
- -6.7498 2.1601 0.0000 H 0 0 0
- -6.1633 -1.9899 0.0000 H 0 0 0
- -8.2592 0.8776 0.0000 H 0 0 0
- -9.1406 -0.2938 0.0000 H 0 0 0
- -7.9692 -1.1752 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 6 8 2 0
- 18 19 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3585-32-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0607 -0.2525 0.0000 N 0 0 0
- -1.1683 0.4199 0.0000 N 0 0 0
- 1.1201 0.3920 0.0000 N 0 0 0
- -2.4199 -0.3415 0.0000 C 0 0 0
- 2.4053 -0.3111 0.0000 C 0 0 0
- -1.1930 1.4943 0.0000 H 0 0 0
- -2.9784 0.5767 0.0000 H 0 0 0
- -3.3381 -0.9000 0.0000 H 0 0 0
- -1.8613 -1.2597 0.0000 H 0 0 0
- 1.8895 -1.2539 0.0000 H 0 0 0
- 3.3481 -0.8269 0.0000 H 0 0 0
- 2.9211 0.6317 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 2 6 1 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-26-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.5626 0.0003 0.6287 C 0 0 0
- 0.3285 -1.2038 0.4366 C 0 0 0
- 0.3291 1.2040 0.4372 C 0 0 0
- -1.6402 0.0008 -0.4248 C 0 0 0
- 1.6842 -0.7041 0.1452 C 0 0 0
- -0.0087 -2.3660 0.5088 O 0 0 0
- 1.6845 0.7038 0.1455 C 0 0 0
- -0.0076 2.3664 0.5097 O 0 0 0
- -3.0914 -0.0004 -0.0183 C 0 0 0
- -1.3409 0.0022 -1.5947 O 0 0 0
- 2.8731 -1.3917 -0.1104 C 0 0 0
- 2.8738 1.3910 -0.1097 C 0 0 0
- -3.3892 1.2491 0.8129 C 0 0 0
- -3.9715 -0.0021 -1.2697 C 0 0 0
- -3.3866 -1.2493 0.8147 C 0 0 0
- 4.0381 -0.6925 -0.3604 C 0 0 0
- 4.0384 0.6914 -0.3600 C 0 0 0
- -1.0239 -0.9145 0.0000 H 0 0 0
- 2.8814 -2.4162 0.0000 H 0 0 0
- 2.8825 2.4155 0.0000 H 0 0 0
- -2.3926 1.4866 0.0000 H 0 0 0
- -3.6267 2.2457 0.0000 H 0 0 0
- -4.3858 1.0116 0.0000 H 0 0 0
- -3.9735 1.0224 0.0000 H 0 0 0
- -4.9960 -0.0041 0.0000 H 0 0 0
- -3.9695 -1.0266 0.0000 H 0 0 0
- -4.3837 -1.0136 0.0000 H 0 0 0
- -3.6223 -2.2464 0.0000 H 0 0 0
- -2.3895 -1.4850 0.0000 H 0 0 0
- 4.9296 -1.1973 0.0000 H 0 0 0
- 4.9302 1.1959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 2 0
- 5 7 2 0
- 16 17 1 0
- 1 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56980-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 48 1 V2000
- -0.8127 -0.3313 -0.2680 C 0 0 0
- -2.0100 -1.0647 -0.2818 C 0 0 0
- -0.8511 1.0524 -0.3533 C 0 0 0
- 0.3777 -0.9740 -0.1661 O 0 0 0
- -3.2330 -0.3909 -0.3816 C 0 0 0
- -1.9793 -2.5296 -0.1926 C 0 0 0
- -2.0612 1.7082 -0.4513 C 0 0 0
- 1.3926 0.0320 -0.1791 C 0 0 0
- -3.2526 0.9891 -0.4657 C 0 0 0
- -3.2669 -3.3125 -0.2077 C 0 0 0
- -0.9176 -3.1099 -0.1066 O 0 0 0
- 2.7677 -0.6294 -0.0666 C 0 0 0
- -4.4761 1.6658 -0.5661 N 0 0 0
- 3.8543 0.4476 -0.0806 C 0 0 0
- 2.8431 -1.3663 1.1555 O 0 0 0
- -5.4363 1.4627 0.3576 C 0 0 0
- 5.1745 -0.1874 0.0275 N 0 0 0
- -6.6533 2.0193 0.1981 N 0 0 0
- -5.2045 0.7774 1.3349 O 0 0 0
- 6.1667 0.8957 0.0084 C 0 0 0
- 7.5724 0.3017 0.1182 C 0 0 0
- 6.0440 1.6767 -1.3016 C 0 0 0
- 5.9172 1.8369 1.1885 C 0 0 0
- 0.0382 1.5988 0.0000 H 0 0 0
- -4.1278 -0.9281 0.0000 H 0 0 0
- -2.0854 2.7516 0.0000 H 0 0 0
- 1.9489 0.9151 0.0000 H 0 0 0
- 0.5784 0.6850 0.0000 H 0 0 0
- -3.8091 -2.4207 0.0000 H 0 0 0
- -4.1587 -3.8547 0.0000 H 0 0 0
- -2.7247 -4.2043 0.0000 H 0 0 0
- 3.7503 -0.9813 0.0000 H 0 0 0
- -4.3218 2.6980 0.0000 H 0 0 0
- 4.4106 1.3307 0.0000 H 0 0 0
- 3.0401 1.1006 0.0000 H 0 0 0
- 2.9493 -2.4046 0.0000 H 0 0 0
- 5.3720 -1.2122 0.0000 H 0 0 0
- -6.7519 3.0583 0.0000 H 0 0 0
- -7.5038 1.4144 0.0000 H 0 0 0
- 7.1662 -0.6597 0.0000 H 0 0 0
- 8.5338 -0.1045 0.0000 H 0 0 0
- 7.9786 1.2631 0.0000 H 0 0 0
- 7.0751 1.8387 0.0000 H 0 0 0
- 5.8820 2.7078 0.0000 H 0 0 0
- 5.0129 1.5147 0.0000 H 0 0 0
- 6.9261 2.1043 0.0000 H 0 0 0
- 5.6498 2.8458 0.0000 H 0 0 0
- 4.9083 1.5695 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 20 22 1 0
- 20 23 1 0
- 7 9 1 0
- 3 24 1 0
- 5 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 10 29 1 0
- 10 30 1 0
- 10 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-144-80-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 0.5127 -0.4691 -0.0709 C 0 0 0
- -1.1628 -1.0050 -0.1719 S 0 0 0
- 1.3232 -0.9274 0.9517 C 0 0 0
- 1.0157 0.4043 -1.0175 C 0 0 0
- -2.0783 0.0652 0.6994 N 0 0 0
- -1.5448 -0.8246 -1.5286 O 0 0 0
- -1.2194 -2.2322 0.5423 O 0 0 0
- 2.6367 -0.5095 1.0337 C 0 0 0
- 2.3287 0.8264 -0.9413 C 0 0 0
- -2.1006 1.3683 0.3561 C 0 0 0
- 3.1438 0.3725 0.0876 C 0 0 0
- -2.9337 2.3422 1.1490 C 0 0 0
- -1.4503 1.7572 -0.5908 O 0 0 0
- 4.4718 0.7976 0.1679 N 0 0 0
- 1.2261 -1.8637 0.0000 H 0 0 0
- 0.4241 1.1364 0.0000 H 0 0 0
- -2.9585 -0.2685 0.0000 H 0 0 0
- 3.2275 -1.2423 0.0000 H 0 0 0
- 2.4213 1.7631 0.0000 H 0 0 0
- -2.2184 2.9541 0.0000 H 0 0 0
- -3.5456 3.0575 0.0000 H 0 0 0
- -3.6490 1.7303 0.0000 H 0 0 0
- 5.1686 0.1647 0.0000 H 0 0 0
- 4.6715 1.7175 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 9 11 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 8 18 1 0
- 9 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70458-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.6139 -0.3586 0.0908 C 0 0 0
- 1.2508 0.8911 -0.0167 C 0 0 0
- 1.3606 -1.5136 0.1915 N 0 0 0
- -0.7751 -0.4147 0.0885 C 0 0 0
- 2.7225 0.9346 -0.0191 C 0 0 0
- 0.4947 2.0617 -0.1191 C 0 0 0
- 2.7001 -1.5131 0.1932 C 0 0 0
- 0.6593 -2.7951 0.3017 C 0 0 0
- -1.5114 0.7537 -0.0190 C 0 0 0
- 3.4345 -0.3493 0.0926 C 0 0 0
- 3.3262 1.9896 -0.1102 O 0 0 0
- -0.8693 1.9915 -0.1148 C 0 0 0
- 0.4287 -3.3722 -1.0964 C 0 0 0
- -2.9029 0.6955 -0.0217 N 0 0 0
- 4.9034 -0.3905 0.0979 C 0 0 0
- -1.6011 3.1228 -0.2133 F 0 0 0
- -3.2999 0.0355 1.2281 C 0 0 0
- -3.2855 -0.2026 -1.1181 C 0 0 0
- 5.6101 0.7534 0.0000 O 0 0 0
- 5.4812 -1.4560 0.1906 O 0 0 0
- -4.8145 -0.1745 1.2402 C 0 0 0
- -4.8001 -0.4126 -1.1061 C 0 0 0
- -5.1971 -1.0726 0.1437 N 0 0 0
- -6.6648 -1.1341 0.1409 C 0 0 0
- -1.2563 -1.3299 0.0000 H 0 0 0
- 0.9657 2.9822 0.0000 H 0 0 0
- 3.1995 -2.4184 0.0000 H 0 0 0
- 0.0869 -1.9340 0.0000 H 0 0 0
- -0.3691 -2.9017 0.0000 H 0 0 0
- -0.5314 -2.9885 0.0000 H 0 0 0
- 0.0450 -4.3323 0.0000 H 0 0 0
- 1.3888 -3.7559 0.0000 H 0 0 0
- -3.3915 -0.9944 0.0000 H 0 0 0
- -2.3169 -0.2849 0.0000 H 0 0 0
- -3.3293 -1.2356 0.0000 H 0 0 0
- -2.2771 -0.4308 0.0000 H 0 0 0
- 6.1535 1.6330 0.0000 H 0 0 0
- -4.7707 0.8585 0.0000 H 0 0 0
- -5.8229 0.0537 0.0000 H 0 0 0
- -4.7085 0.6173 0.0000 H 0 0 0
- -5.7831 -0.0922 0.0000 H 0 0 0
- -6.7081 -0.1011 0.0000 H 0 0 0
- -7.6978 -1.1774 0.0000 H 0 0 0
- -6.6215 -2.1671 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 17 21 1 0
- 18 22 1 0
- 21 23 1 0
- 23 24 1 0
- 7 10 2 0
- 9 12 1 0
- 22 23 1 0
- 4 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 13 30 1 0
- 13 31 1 0
- 13 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 39 1 V2000
- -2.3792 -0.1097 -0.3888 N 0 0 0
- -3.3185 0.9176 -0.2555 C 0 0 0
- -1.3834 -0.3929 0.4752 C 0 0 0
- -2.3084 -1.0324 -1.4407 N 0 0 0
- -3.0526 2.1762 -0.7799 C 0 0 0
- -4.5216 0.6803 0.3963 C 0 0 0
- -0.6692 -1.5057 -0.0388 C 0 0 0
- -1.1408 0.2000 1.5110 O 0 0 0
- -1.2495 -1.8746 -1.2004 C 0 0 0
- -3.2074 -1.0898 -2.5959 C 0 0 0
- -3.9822 3.1885 -0.6466 C 0 0 0
- -5.4472 1.6973 0.5262 C 0 0 0
- 0.4499 -2.1212 0.5608 N 0 0 0
- -0.8130 -3.0168 -2.0813 C 0 0 0
- -5.1771 2.9504 0.0081 C 0 0 0
- 1.8035 -1.7143 0.1757 C 0 0 0
- 0.2582 -3.1672 1.5685 C 0 0 0
- 2.1735 -0.0897 0.8928 S 0 0 0
- 1.8886 -0.0544 2.2845 O 0 0 0
- 3.3661 0.4621 0.3520 O 0 0 0
- 1.0911 0.8038 0.3040 O 0 0 0
- 11.9980 1.7326 -1.2460 Na 0 3 0
- -2.1270 2.4297 0.0000 H 0 0 0
- -4.8224 -0.2310 0.0000 H 0 0 0
- -3.2685 -0.1321 0.0000 H 0 0 0
- -4.1651 -1.1509 0.0000 H 0 0 0
- -3.1463 -2.0475 0.0000 H 0 0 0
- -3.6843 4.1007 0.0000 H 0 0 0
- -6.3738 1.4478 0.0000 H 0 0 0
- -1.7094 -3.3594 0.0000 H 0 0 0
- -0.4704 -3.9132 0.0000 H 0 0 0
- 0.0834 -2.6742 0.0000 H 0 0 0
- -5.8504 3.6343 0.0000 H 0 0 0
- 1.9184 -2.6670 0.0000 H 0 0 0
- 2.7619 -1.7641 0.0000 H 0 0 0
- -0.6857 -2.9942 0.0000 H 0 0 0
- 0.0852 -4.1111 0.0000 H 0 0 0
- 1.2021 -3.3402 0.0000 H 0 0 0
- 0.3510 1.4147 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 13 17 1 0
- 16 18 1 0
- 18 19 2 0
- 18 20 2 0
- 18 21 1 0
- 7 9 2 0
- 12 15 2 0
- 5 23 1 0
- 6 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72869-86-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- -0.1624 0.6814 -1.0716 N 0 0 0
- 0.1625 -0.6814 -1.0716 N 0 0 0
- 0.6645 1.5713 -0.4880 C 0 0 0
- -0.6645 -1.5713 -0.4880 C 0 0 0
- 1.8029 1.1507 0.0950 O 0 0 0
- 0.3828 2.7533 -0.4880 O 0 0 0
- -1.8029 -1.1507 0.0950 O 0 0 0
- -0.3828 -2.7533 -0.4881 O 0 0 0
- 2.6939 2.1094 0.7238 C 0 0 0
- -2.6939 -2.1094 0.7237 C 0 0 0
- 3.9041 1.3758 1.3052 C 0 0 0
- -3.9041 -1.3758 1.3051 C 0 0 0
- 4.6094 0.6858 0.2400 O 0 0 0
- -4.6094 -0.6858 0.2399 O 0 0 0
- 5.7158 -0.0320 0.5188 C 0 0 0
- -5.7158 0.0320 0.5188 C 0 0 0
- 6.4297 -0.7303 -0.5592 C 0 0 0
- 6.1229 -0.1018 1.6619 O 0 0 0
- -6.4297 0.7304 -0.5592 C 0 0 0
- -6.1229 0.1017 1.6619 O 0 0 0
- 5.9249 -0.6439 -1.9766 C 0 0 0
- 7.5219 -1.4391 -0.2839 C 0 0 0
- -5.9249 0.6440 -1.9765 C 0 0 0
- -7.5219 1.4391 -0.2839 C 0 0 0
- -1.0435 0.9133 0.0000 H 0 0 0
- 1.0436 -0.9133 0.0000 H 0 0 0
- 3.2180 2.8547 0.0000 H 0 0 0
- 1.9859 2.6829 0.0000 H 0 0 0
- -3.2180 -2.8547 0.0000 H 0 0 0
- -1.9859 -2.6829 0.0000 H 0 0 0
- 4.7602 1.6876 0.0000 H 0 0 0
- 3.9931 2.2826 0.0000 H 0 0 0
- -4.7602 -1.6876 0.0000 H 0 0 0
- -3.9931 -2.2826 0.0000 H 0 0 0
- 6.0786 0.2542 0.0000 H 0 0 0
- 5.0268 -0.4902 0.0000 H 0 0 0
- 5.7712 -1.5420 0.0000 H 0 0 0
- 7.4745 -2.3490 0.0000 H 0 0 0
- 8.3336 -1.0252 0.0000 H 0 0 0
- -6.0786 -0.2541 0.0000 H 0 0 0
- -5.0268 0.4903 0.0000 H 0 0 0
- -5.7712 1.5421 0.0000 H 0 0 0
- -7.4746 2.3490 0.0000 H 0 0 0
- -8.3336 1.0251 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 16 20 2 0
- 17 21 1 0
- 17 22 2 0
- 19 23 1 0
- 19 24 2 0
- 1 25 1 0
- 2 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1649-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- -4.2000 -0.3885 -0.6537 N 0 0 0
- -5.4900 0.0345 -0.3553 C 0 0 0
- -3.8836 -1.4721 0.2848 C 0 0 0
- -3.3044 0.7293 -0.3317 C 0 0 0
- -6.0652 1.0650 -1.0915 C 0 0 0
- -6.1625 -0.5509 0.6239 N 0 0 0
- -2.4298 -1.9073 0.0965 C 0 0 0
- -1.8507 0.2942 -0.5200 C 0 0 0
- -7.3498 1.4759 -0.7838 C 0 0 0
- -7.3888 -0.1798 0.9392 C 0 0 0
- -1.5343 -0.7895 0.4185 N 0 0 0
- -8.0183 0.8400 0.2537 C 0 0 0
- -0.1709 -1.2365 0.1031 C 0 0 0
- 0.8194 -0.1132 0.4169 C 0 0 0
- 2.2394 -0.5788 0.0884 C 0 0 0
- 3.2148 0.5276 0.3975 C 0 0 0
- 4.6526 0.3259 0.1659 C 0 0 0
- 2.8138 1.5843 0.8371 O 0 0 0
- 5.5612 1.3513 0.4519 C 0 0 0
- 5.1191 -0.8941 -0.3358 C 0 0 0
- 6.9068 1.1557 0.2332 C 0 0 0
- 6.4677 -1.0767 -0.5500 C 0 0 0
- 7.3623 -0.0546 -0.2695 C 0 0 0
- 8.6835 -0.2401 -0.4818 F 0 0 0
- -4.8977 -1.5661 0.0000 H 0 0 0
- -3.9845 -2.4856 0.0000 H 0 0 0
- -2.8900 1.6596 0.0000 H 0 0 0
- -4.1741 1.2593 0.0000 H 0 0 0
- -5.4203 1.8533 0.0000 H 0 0 0
- -2.8442 -2.8376 0.0000 H 0 0 0
- -1.5601 -2.4372 0.0000 H 0 0 0
- -0.8366 0.3882 0.0000 H 0 0 0
- -1.7498 1.3077 0.0000 H 0 0 0
- -7.5774 2.4686 0.0000 H 0 0 0
- -8.0099 -0.9870 0.0000 H 0 0 0
- -9.0283 0.9707 0.0000 H 0 0 0
- -0.6158 -2.1527 0.0000 H 0 0 0
- 0.6769 -1.8009 0.0000 H 0 0 0
- 1.2643 0.8029 0.0000 H 0 0 0
- -0.0284 0.4512 0.0000 H 0 0 0
- 1.7945 -1.4949 0.0000 H 0 0 0
- 3.0872 -1.1432 0.0000 H 0 0 0
- 5.2113 2.3078 0.0000 H 0 0 0
- 4.4866 -1.6923 0.0000 H 0 0 0
- 7.5453 1.9492 0.0000 H 0 0 0
- 6.8252 -2.0304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 17 20 2 0
- 19 21 2 0
- 20 22 1 0
- 21 23 1 0
- 23 24 1 0
- 8 11 1 0
- 10 12 1 0
- 22 23 2 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 10 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-68-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.4619 -0.8157 -0.0090 C 0 0 0
- -1.1129 0.0844 0.0010 S 0 0 0
- 1.6205 0.1834 0.0019 C 0 0 0
- -1.3461 0.7179 1.2515 O 0 0 0
- -1.3462 0.7451 -1.2353 O 0 0 0
- -2.1494 -1.0300 -0.0111 O 0 0 0
- 2.8959 -0.5455 -0.0062 N 0 0 0
- 3.9606 0.4665 0.0048 C 0 0 0
- -0.1895 -1.7043 0.0000 H 0 0 0
- 1.2711 -1.5634 0.0000 H 0 0 0
- 2.2718 1.0720 0.0000 H 0 0 0
- 0.8113 0.9310 0.0000 H 0 0 0
- -2.8997 -1.8367 0.0000 H 0 0 0
- 3.0282 -1.6393 0.0000 H 0 0 0
- 4.7196 -0.3321 0.0000 H 0 0 0
- 4.7592 1.2255 0.0000 H 0 0 0
- 3.2016 1.2651 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 2 0
- 6 2 1 0
- 7 3 1 0
- 8 7 1 0
- 1 9 1 0
- 1 10 1 0
- 3 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-579-66-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 1.2024 0.1841 -0.2330 C 0 0 0
- 0.0001 -0.5021 -0.3456 C 0 0 0
- 1.1994 1.5468 -0.0068 C 0 0 0
- 2.5086 -0.5580 -0.3513 C 0 0 0
- -1.2018 0.1850 -0.2302 C 0 0 0
- -0.0005 -1.8800 -0.5747 N 0 0 0
- 0.0014 2.2275 0.1075 C 0 0 0
- 3.0055 -0.9413 1.0441 C 0 0 0
- -1.1976 1.5472 -0.0040 C 0 0 0
- -2.5088 -0.5554 -0.3521 C 0 0 0
- -3.0085 -0.9407 1.0417 C 0 0 0
- 2.0920 2.0676 0.0000 H 0 0 0
- 3.4449 -0.1207 0.0000 H 0 0 0
- 2.5498 0.4746 0.0000 H 0 0 0
- -0.8957 -2.3963 0.0000 H 0 0 0
- 0.8942 -2.3971 0.0000 H 0 0 0
- 0.0017 3.2609 0.0000 H 0 0 0
- 2.3743 -1.7596 0.0000 H 0 0 0
- 3.8238 -1.5725 0.0000 H 0 0 0
- 3.6367 -0.1230 0.0000 H 0 0 0
- -2.0898 2.0686 0.0000 H 0 0 0
- -2.5491 0.4772 0.0000 H 0 0 0
- -3.4449 -0.1176 0.0000 H 0 0 0
- -3.6395 -0.1223 0.0000 H 0 0 0
- -3.8269 -1.5717 0.0000 H 0 0 0
- -2.3775 -1.7591 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 10 11 1 0
- 7 9 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-24-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.4325 0.8414 0.0027 C 0 0 0
- 0.1368 -0.5231 0.0003 C 0 0 0
- 1.7646 1.2606 0.0027 C 0 0 0
- -0.6253 1.8066 -0.0009 C 0 0 0
- 1.1608 -1.4476 -0.0020 C 0 0 0
- -1.2721 -0.9767 0.0007 N 0 3 0
- 2.7785 0.3255 0.0004 C 0 0 0
- -1.4644 2.5723 -0.0037 N 0 0 0
- 2.4782 -1.0253 -0.0019 C 0 0 0
- -1.5285 -2.1674 -0.0014 O 0 0 0
- -2.1750 -0.1593 0.0031 O 0 5 0
- 1.9911 2.2732 0.0000 H 0 0 0
- 0.9424 -2.4619 0.0000 H 0 0 0
- 3.7686 0.6356 0.0000 H 0 0 0
- 3.2446 -1.7247 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 3 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 9 1 0
- 3 12 1 0
- 5 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4539-51-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.3298 -0.5343 -0.0011 C 0 0 0
- -1.1441 -0.4856 -0.0006 C 0 0 0
- 0.7720 0.7974 -0.0004 C 0 0 0
- 1.2530 -1.5784 0.0029 C 0 0 0
- -1.4976 0.8718 0.0004 C 0 0 0
- -2.1352 -1.4643 -0.0014 C 0 0 0
- -0.3366 1.6253 0.0005 N 0 0 0
- 2.1368 1.0635 -0.0003 C 0 0 0
- 2.6015 -1.3018 0.0011 C 0 0 0
- -2.8433 1.2256 0.0010 C 0 0 0
- -3.4629 -1.0942 -0.0011 C 0 0 0
- 3.0456 0.0187 -0.0009 C 0 0 0
- -3.8140 0.2470 0.0007 C 0 0 0
- 4.4156 0.2903 -0.0007 N 0 0 0
- 0.9226 -2.5679 0.0000 H 0 0 0
- -1.8734 -2.4742 0.0000 H 0 0 0
- -0.3023 2.6680 0.0000 H 0 0 0
- 2.4760 2.0500 0.0000 H 0 0 0
- 3.2928 -2.0831 0.0000 H 0 0 0
- -3.1177 2.2321 0.0000 H 0 0 0
- -4.2064 -1.8260 0.0000 H 0 0 0
- -4.8214 0.5179 0.0000 H 0 0 0
- 5.1029 -0.4945 0.0000 H 0 0 0
- 4.7516 1.2779 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4403-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -0.0999 0.1863 0.0016 C 0 0 0
- -0.9855 -0.8067 -0.0010 C 0 0 0
- 1.3022 -0.1048 0.0004 C 0 0 0
- -0.5724 1.6173 -0.0007 C 0 0 0
- -2.4610 -0.5004 0.0002 C 0 0 0
- 2.4145 -0.3357 -0.0005 N 0 0 0
- -0.6488 -1.8265 0.0000 H 0 0 0
- 0.4474 1.9540 0.0000 H 0 0 0
- -0.9091 2.6371 0.0000 H 0 0 0
- -1.5922 1.2806 0.0000 H 0 0 0
- -2.2427 0.5512 0.0000 H 0 0 0
- -3.5126 -0.2821 0.0000 H 0 0 0
- -2.6793 -1.5520 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 3 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110021-94-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 48 1 V2000
- 1.7645 0.9274 -0.7272 C 0 0 0
- 2.3731 -0.2787 -0.2992 C 0 0 0
- 2.3398 2.1425 -0.2908 C 0 0 0
- 0.6604 0.9161 -1.5401 N 0 0 0
- 3.5568 -0.2073 0.5657 C 0 0 0
- 1.8671 -1.5148 -0.6858 C 0 0 0
- 3.4850 2.1210 0.5448 C 0 0 0
- 1.7848 3.3723 -0.6788 C 0 0 0
- -0.6195 0.8941 -0.9799 C 0 0 0
- 4.0399 0.9697 0.9337 N 0 0 0
- 4.1761 -1.4067 1.0016 C 0 0 0
- 2.5045 -2.6933 -0.2370 C 0 0 0
- 4.0397 3.3446 0.9667 C 0 0 0
- 2.3509 4.5360 -0.2493 C 0 0 0
- -1.7389 0.8827 -1.8040 C 0 0 0
- -0.7735 0.8780 0.4011 C 0 0 0
- 3.6836 -2.6047 0.6259 C 0 0 0
- 2.0341 -3.8794 -0.5969 N 0 0 0
- 3.4754 4.5196 0.5713 C 0 0 0
- -3.0027 0.8610 -1.2506 C 0 0 0
- -2.0379 0.8563 0.9542 C 0 0 0
- 2.5411 -4.8169 -0.2400 N 0 3 0
- -3.1565 0.8507 0.1305 C 0 0 0
- 3.0481 -5.7545 0.1170 N 0 5 0
- -4.4372 0.8287 0.6911 N 0 0 0
- -5.4595 -0.4343 0.3713 S 0 0 0
- -4.6682 -1.8306 1.2166 C 0 0 0
- -6.6598 -0.0405 1.0219 O 0 0 0
- -5.3726 -0.5600 -1.0415 O 0 0 0
- 0.6473 1.8716 0.0000 H 0 0 0
- 0.9129 -1.5660 0.0000 H 0 0 0
- 0.8293 3.3861 0.0000 H 0 0 0
- 5.1308 -1.3653 0.0000 H 0 0 0
- 4.9952 3.3552 0.0000 H 0 0 0
- 1.8500 5.3498 0.0000 H 0 0 0
- -1.7520 1.8382 0.0000 H 0 0 0
- -0.7156 -0.0758 0.0000 H 0 0 0
- 4.2449 -3.3780 0.0000 H 0 0 0
- 3.9901 5.3247 0.0000 H 0 0 0
- -3.0428 1.8158 0.0000 H 0 0 0
- -2.0273 -0.0992 0.0000 H 0 0 0
- -4.8561 1.6876 0.0000 H 0 0 0
- -5.4996 -2.3018 0.0000 H 0 0 0
- -4.1970 -2.6620 0.0000 H 0 0 0
- -3.8368 -1.3594 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 1 0
- 18 22 2 0
- 20 23 1 0
- 22 24 2 0
- 23 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 2 0
- 26 29 2 0
- 7 10 2 0
- 12 17 1 0
- 14 19 1 0
- 21 23 2 0
- 4 30 1 0
- 6 31 1 0
- 8 32 1 0
- 11 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 25 42 1 0
- 27 43 1 0
- 27 44 1 0
- 27 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.0004 -1.7564 0.0936 C 0 0 0
- -1.1980 -1.0653 0.0709 C 0 0 0
- 1.1978 -1.0656 0.0701 C 0 0 0
- -0.0008 -3.2623 0.1502 C 0 0 0
- -1.1981 0.3182 0.0242 C 0 0 0
- -2.8356 -2.0103 0.1030 Br 0 0 0
- 1.1985 0.3174 0.0244 C 0 0 0
- 2.8350 -2.0114 0.1011 Br 0 0 0
- -0.0048 -3.8261 -1.2721 C 0 0 0
- 0.0002 1.0095 0.0008 C 0 0 0
- -2.8358 1.2631 -0.0081 Br 0 0 0
- 2.8366 1.2617 -0.0065 Br 0 0 0
- 0.0006 2.8994 -0.0636 Br 0 0 0
- 0.8955 -3.7856 0.0000 H 0 0 0
- 0.8993 -2.7457 0.0000 H 0 0 0
- -1.0426 -3.8187 0.0000 H 0 0 0
- -0.0122 -4.8639 0.0000 H 0 0 0
- 1.0330 -3.8335 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
- 7 10 1 0
- 4 14 1 0
- 4 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-599-79-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- -2.7934 1.2323 0.3225 C 0 0 0
- -4.5228 1.1936 0.6573 S 0 0 0
- -2.2788 2.1909 -0.5330 C 0 0 0
- -1.9555 0.3077 0.9207 C 0 0 0
- -5.2238 0.2061 -0.4723 N 0 0 0
- -4.6606 0.5177 1.8997 O 0 0 0
- -5.0000 2.5021 0.3755 O 0 0 0
- -0.9264 2.2277 -0.7994 C 0 0 0
- -0.6005 0.3322 0.6637 C 0 0 0
- -4.8385 -1.1262 -0.5655 C 0 0 0
- -0.0746 1.2937 -0.2030 C 0 0 0
- -5.4313 -1.9502 -1.5166 C 0 0 0
- -3.9066 -1.5984 0.2482 N 0 0 0
- 1.2674 1.3240 -0.4625 N 0 0 0
- -5.0384 -3.2741 -1.5984 C 0 0 0
- -3.5123 -2.8563 0.1927 C 0 0 0
- 2.0507 0.4605 0.0896 N 0 0 0
- -4.0623 -3.7310 -0.7231 C 0 0 0
- 3.3912 0.4908 -0.1695 C 0 0 0
- 4.2382 -0.4426 0.4272 C 0 0 0
- 3.9150 1.4557 -1.0391 C 0 0 0
- 5.6051 -0.4064 0.1588 C 0 0 0
- 5.2656 1.4906 -1.3036 C 0 0 0
- 6.1192 0.5694 -0.7102 C 0 0 0
- 6.5083 -1.3894 0.7847 C 0 0 0
- 7.4479 0.6089 -0.9746 O 0 0 0
- 6.0364 -2.2397 1.7174 O 0 0 0
- 7.6782 -1.4329 0.4594 O 0 0 0
- -2.7742 2.9940 0.0000 H 0 0 0
- -2.3301 -0.5584 0.0000 H 0 0 0
- -6.1541 0.3638 0.0000 H 0 0 0
- -0.5571 3.0961 0.0000 H 0 0 0
- -0.1120 -0.4751 0.0000 H 0 0 0
- -6.3617 -1.7928 0.0000 H 0 0 0
- -5.7535 -3.8897 0.0000 H 0 0 0
- -2.5765 -2.9775 0.0000 H 0 0 0
- -3.7962 -4.6363 0.0000 H 0 0 0
- 3.8675 -1.3104 0.0000 H 0 0 0
- 3.4221 2.2603 0.0000 H 0 0 0
- 5.6320 2.3602 0.0000 H 0 0 0
- 8.3911 0.6369 0.0000 H 0 0 0
- 5.5785 -3.0648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 14 17 2 0
- 15 18 2 0
- 17 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 25 28 2 0
- 9 11 2 0
- 16 18 1 0
- 23 24 2 0
- 3 29 1 0
- 4 30 1 0
- 5 31 1 0
- 8 32 1 0
- 9 33 1 0
- 12 34 1 0
- 15 35 1 0
- 16 36 1 0
- 18 37 1 0
- 20 38 1 0
- 21 39 1 0
- 23 40 1 0
- 26 41 1 0
- 27 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.9310 0.7465 0.0468 C 0 0 0
- -0.9597 -0.6649 0.0469 C 0 0 0
- 0.3545 1.4504 0.1907 C 0 0 0
- -2.1229 1.4624 -0.0957 C 0 0 0
- 0.2980 -1.4204 0.1905 C 0 0 0
- -2.1775 -1.3313 -0.0899 C 0 0 0
- 1.6147 0.6931 0.0264 C 0 0 0
- 0.3799 2.6401 0.4413 O 0 0 0
- -3.3320 0.7749 -0.2368 C 0 0 0
- -2.1061 2.8489 -0.0975 N 0 0 0
- 1.5870 -0.7135 0.0263 C 0 0 0
- 0.2761 -2.6099 0.4413 O 0 0 0
- -3.3584 -0.5997 -0.2265 C 0 0 0
- -2.2140 -2.6868 -0.0906 O 0 0 0
- 2.8260 1.3592 -0.1286 C 0 0 0
- 2.7713 -1.4269 -0.1285 C 0 0 0
- 3.9948 0.6345 -0.2812 C 0 0 0
- 3.9675 -0.7486 -0.2818 C 0 0 0
- -4.2264 1.3068 0.0000 H 0 0 0
- -1.1987 3.3582 0.0000 H 0 0 0
- -3.0009 3.3801 0.0000 H 0 0 0
- -4.2723 -1.0972 0.0000 H 0 0 0
- -2.2420 -3.7270 0.0000 H 0 0 0
- 2.8532 2.3994 0.0000 H 0 0 0
- 2.7576 -2.4674 0.0000 H 0 0 0
- 4.9090 1.1316 0.0000 H 0 0 0
- 4.8614 -1.2812 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 11 2 0
- 9 13 2 0
- 17 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 17 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-88-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.1859 -0.0636 -0.5307 C 0 0 0
- -1.4839 -0.6779 -0.0027 C 0 0 0
- -1.1675 0.7053 0.1674 O 0 0 0
- 0.9636 -0.4062 0.4191 C 0 0 0
- 2.2616 0.2081 -0.1088 C 0 0 0
- 0.3028 0.8818 0.0000 H 0 0 0
- -2.5481 -0.6752 0.0000 H 0 0 0
- -1.2519 -1.7165 0.0000 H 0 0 0
- 0.3899 -1.3025 0.0000 H 0 0 0
- 1.6667 -1.2050 0.0000 H 0 0 0
- 2.7168 -0.7538 0.0000 H 0 0 0
- 3.2235 0.6633 0.0000 H 0 0 0
- 1.8064 1.1700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5857-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 1.8019 0.6002 -0.0068 C 0 0 0
- 0.4295 0.8186 -0.1217 N 0 0 0
- 2.4153 -0.3874 -0.7674 C 0 0 0
- 2.5596 1.3745 0.8651 C 0 0 0
- -0.4025 -0.0862 0.2695 N 0 3 0
- 3.7809 -0.6010 -0.6496 C 0 0 0
- 3.9192 1.1584 0.9793 C 0 0 0
- -1.7266 0.0813 0.0665 C 0 0 0
- 0.0065 -1.0917 0.8221 O 0 5 0
- 4.5309 0.1730 0.2283 C 0 0 0
- 4.4015 -1.5932 -1.4121 N 0 0 0
- -2.6342 -0.8997 0.4902 C 0 0 0
- -2.2024 1.2411 -0.5647 C 0 0 0
- 6.0145 -0.0587 0.3566 C 0 0 0
- -3.9903 -0.7177 0.2769 C 0 0 0
- -3.5548 1.4068 -0.7693 C 0 0 0
- -4.4480 0.4343 -0.3548 C 0 0 0
- -4.8997 -1.6917 0.6968 N 0 0 0
- -5.9250 0.6269 -0.5837 C 0 0 0
- 1.8659 -1.2168 0.0000 H 0 0 0
- 2.2473 2.3191 0.0000 H 0 0 0
- 4.4698 1.9870 0.0000 H 0 0 0
- 3.9348 -2.4718 0.0000 H 0 0 0
- 5.3957 -1.5580 0.0000 H 0 0 0
- -2.2973 -1.8358 0.0000 H 0 0 0
- -1.5990 2.0321 0.0000 H 0 0 0
- 5.8610 -1.0417 0.0000 H 0 0 0
- 6.9975 -0.2122 0.0000 H 0 0 0
- 6.1680 0.9243 0.0000 H 0 0 0
- -3.8987 2.3403 0.0000 H 0 0 0
- -5.8689 -1.4673 0.0000 H 0 0 0
- -4.6094 -2.6433 0.0000 H 0 0 0
- -5.7964 1.6134 0.0000 H 0 0 0
- -6.9115 0.7555 0.0000 H 0 0 0
- -6.0536 -0.3596 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 2 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 13 16 2 0
- 15 17 2 0
- 15 18 1 0
- 17 19 1 0
- 7 10 2 0
- 16 17 1 0
- 3 20 1 0
- 4 21 1 0
- 7 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99520-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 40 1 V2000
- 0.0422 -0.3491 -0.0012 C 0 0 0
- -1.2921 -0.7131 -0.0011 C 0 0 0
- 0.4983 1.0301 -0.0007 C 0 0 0
- 1.0946 -1.2567 0.0040 C 0 0 0
- -2.2557 0.3068 0.0002 C 0 0 0
- -1.6342 -2.0849 -0.0027 C 0 0 0
- 1.9711 0.9314 -0.0027 C 0 0 0
- -0.4605 2.0044 0.0011 C 0 0 0
- 2.3250 -0.4424 0.0012 C 0 0 0
- 0.7454 -2.6095 0.0094 C 0 0 0
- -1.8380 1.6588 0.0022 C 0 0 0
- -3.6175 -0.0651 -0.0011 C 0 0 0
- -0.5821 -3.0075 -0.0032 C 0 0 0
- -3.0074 -2.4153 -0.0042 C 0 0 0
- 2.9734 1.8978 -0.0049 C 0 0 0
- 3.6730 -0.7953 0.0044 C 0 0 0
- -2.8368 2.6422 0.0041 C 0 0 0
- -3.9529 -1.4402 -0.0034 C 0 0 0
- -4.5740 0.9540 0.0005 C 0 0 0
- 4.3004 1.5273 -0.0060 C 0 0 0
- 4.6520 0.1822 -0.0011 C 0 0 0
- -4.1688 2.2760 0.0031 C 0 0 0
- 5.9635 -0.1740 0.0017 O 0 0 0
- -0.1771 3.0134 0.0000 H 0 0 0
- 1.5007 -3.3361 0.0000 H 0 0 0
- -0.8050 -4.0316 0.0000 H 0 0 0
- -3.2994 -3.4219 0.0000 H 0 0 0
- 2.7167 2.9139 0.0000 H 0 0 0
- 3.9468 -1.8070 0.0000 H 0 0 0
- -2.5728 3.6564 0.0000 H 0 0 0
- -4.9643 -1.7151 0.0000 H 0 0 0
- -5.5949 0.7170 0.0000 H 0 0 0
- 5.0476 2.2622 0.0000 H 0 0 0
- -4.8990 3.0278 0.0000 H 0 0 0
- 6.9749 -0.4487 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 12 19 1 0
- 15 20 2 0
- 16 21 2 0
- 17 22 1 0
- 21 23 1 0
- 7 9 2 0
- 8 11 1 0
- 10 13 2 0
- 14 18 2 0
- 19 22 2 0
- 20 21 1 0
- 8 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4559-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.2728 0.6619 -0.0048 C 0 0 0
- -1.4507 -0.7968 -0.0015 C 0 0 0
- -0.0519 1.1861 -0.0052 N 0 0 0
- -2.4159 1.4877 -0.0017 C 0 0 0
- -0.3917 -1.5991 0.0012 N 0 0 0
- -2.7589 -1.3238 -0.0006 C 0 0 0
- 1.0080 0.3822 -0.0025 C 0 0 0
- -3.6554 0.9231 0.0043 C 0 0 0
- 0.8302 -1.0738 0.0008 C 0 0 0
- -3.8263 -0.4778 -0.0030 C 0 0 0
- 2.3177 0.9051 -0.0023 C 0 0 0
- -4.7794 1.7467 0.0078 N 0 0 0
- 1.9761 -1.8969 0.0031 C 0 0 0
- -5.1155 -1.0071 -0.0021 N 0 0 0
- 3.3793 0.0563 0.0009 C 0 0 0
- 3.2096 -1.3297 0.0022 C 0 0 0
- 4.9867 0.7119 0.0010 Cl 0 0 0
- -2.3125 2.5278 0.0000 H 0 0 0
- -2.9085 -2.3583 0.0000 H 0 0 0
- 2.4711 1.9390 0.0000 H 0 0 0
- -4.6659 2.7857 0.0000 H 0 0 0
- -5.7360 1.3254 0.0000 H 0 0 0
- 1.8760 -2.9373 0.0000 H 0 0 0
- -5.9427 -0.3682 0.0000 H 0 0 0
- -5.2552 -2.0429 0.0000 H 0 0 0
- 4.0537 -1.9462 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 7 9 1 0
- 8 10 1 0
- 15 16 1 0
- 4 18 1 0
- 6 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-38-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 79 1 V2000
- -4.4892 -0.2001 0.7539 C 0 0 0
- -5.7577 -0.7189 0.0738 C 0 0 0
- -5.2094 -1.3341 1.2413 O 0 0 0
- -3.2618 -0.6729 -0.0276 C 0 0 0
- -6.9452 0.1604 0.4708 C 0 0 0
- -1.9932 -0.1541 0.6525 C 0 0 0
- -8.2138 -0.3584 -0.2093 C 0 0 0
- -0.7658 -0.6268 -0.1291 C 0 0 0
- -9.4013 0.5210 0.1877 C 0 0 0
- 0.5028 -0.1080 0.5510 C 0 0 0
- -10.6698 0.0022 -0.4924 C 0 0 0
- 1.7302 -0.5808 -0.2306 C 0 0 0
- -11.8573 0.8815 -0.0955 C 0 0 0
- 2.9987 -0.0620 0.4495 C 0 0 0
- -13.1259 0.3627 -0.7756 C 0 0 0
- 4.2262 -0.5347 -0.3321 C 0 0 0
- -14.3134 1.2420 -0.3786 C 0 0 0
- 5.4756 -0.0238 0.3378 C 0 0 0
- -15.5819 0.7233 -1.0587 C 0 0 0
- 6.6805 -0.3165 -0.1764 O 0 0 0
- 5.3929 0.6494 1.3377 O 0 0 0
- 7.8844 0.1758 0.4690 C 0 0 0
- 9.1118 -0.2969 -0.3125 C 0 0 0
- 10.3804 0.2219 0.3676 C 0 0 0
- 9.1388 -1.8264 -0.3434 C 0 0 0
- 11.1413 1.1319 -0.5987 C 0 0 0
- 9.1767 -2.3065 -1.7956 C 0 0 0
- 12.3520 1.7357 0.1158 C 0 0 0
- 13.1130 2.6457 -0.8504 C 0 0 0
- -4.4996 0.8145 0.0000 H 0 0 0
- -6.4420 -1.4681 0.0000 H 0 0 0
- -3.8672 -1.4872 0.0000 H 0 0 0
- -2.6398 -1.4746 0.0000 H 0 0 0
- -6.2039 0.8533 0.0000 H 0 0 0
- -7.4927 1.0147 0.0000 H 0 0 0
- -1.3878 0.6602 0.0000 H 0 0 0
- -2.6152 0.6476 0.0000 H 0 0 0
- -8.9551 -1.0513 0.0000 H 0 0 0
- -7.6663 -1.2127 0.0000 H 0 0 0
- -1.3712 -1.4411 0.0000 H 0 0 0
- -0.1438 -1.4285 0.0000 H 0 0 0
- -8.6600 1.2139 0.0000 H 0 0 0
- -9.9488 1.3753 0.0000 H 0 0 0
- 1.1082 0.7063 0.0000 H 0 0 0
- -0.1192 0.6937 0.0000 H 0 0 0
- -11.4111 -0.6907 0.0000 H 0 0 0
- -10.1223 -0.8521 0.0000 H 0 0 0
- 1.1248 -1.3951 0.0000 H 0 0 0
- 2.3522 -1.3825 0.0000 H 0 0 0
- -11.1160 1.5744 0.0000 H 0 0 0
- -12.4048 1.7358 0.0000 H 0 0 0
- 3.6041 0.7523 0.0000 H 0 0 0
- 2.3767 0.7397 0.0000 H 0 0 0
- -13.8672 -0.3302 0.0000 H 0 0 0
- -12.5784 -0.4916 0.0000 H 0 0 0
- 3.6208 -1.3490 0.0000 H 0 0 0
- 4.8482 -1.3364 0.0000 H 0 0 0
- -13.5721 1.9349 0.0000 H 0 0 0
- -14.8609 2.0963 0.0000 H 0 0 0
- -15.9659 1.6625 0.0000 H 0 0 0
- -16.5211 0.3393 0.0000 H 0 0 0
- -15.1979 -0.2159 0.0000 H 0 0 0
- 8.4898 0.9901 0.0000 H 0 0 0
- 7.2624 0.9775 0.0000 H 0 0 0
- 9.1014 0.7177 0.0000 H 0 0 0
- 10.4075 -0.7924 0.0000 H 0 0 0
- 11.3387 -0.1116 0.0000 H 0 0 0
- 8.2414 -1.3528 0.0000 H 0 0 0
- 8.2912 -2.3842 0.0000 H 0 0 0
- 11.0640 2.1436 0.0000 H 0 0 0
- 10.1750 1.4415 0.0000 H 0 0 0
- 8.1652 -2.3864 0.0000 H 0 0 0
- 9.2566 -3.3180 0.0000 H 0 0 0
- 10.1882 -2.2266 0.0000 H 0 0 0
- 12.4293 0.7240 0.0000 H 0 0 0
- 13.3183 1.4261 0.0000 H 0 0 0
- 13.8914 1.9948 0.0000 H 0 0 0
- 13.7639 3.4241 0.0000 H 0 0 0
- 12.3346 3.2966 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 28 29 1 0
- 2 3 1 0
- 1 30 1 0
- 2 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 5 35 1 0
- 6 36 1 0
- 6 37 1 0
- 7 38 1 0
- 7 39 1 0
- 8 40 1 0
- 8 41 1 0
- 9 42 1 0
- 9 43 1 0
- 10 44 1 0
- 10 45 1 0
- 11 46 1 0
- 11 47 1 0
- 12 48 1 0
- 12 49 1 0
- 13 50 1 0
- 13 51 1 0
- 14 52 1 0
- 14 53 1 0
- 15 54 1 0
- 15 55 1 0
- 16 56 1 0
- 16 57 1 0
- 17 58 1 0
- 17 59 1 0
- 19 60 1 0
- 19 61 1 0
- 19 62 1 0
- 22 63 1 0
- 22 64 1 0
- 23 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
- 25 69 1 0
- 26 70 1 0
- 26 71 1 0
- 27 72 1 0
- 27 73 1 0
- 27 74 1 0
- 28 75 1 0
- 28 76 1 0
- 29 77 1 0
- 29 78 1 0
- 29 79 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-505-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.0000 -0.9740 0.0000 S 0 0 0
- -1.3896 0.1920 0.0000 C 0 0 0
- 1.3896 0.1920 0.0000 C 0 0 0
- -2.7075 -0.5853 0.0000 C 0 0 0
- 2.7075 -0.5853 0.0000 C 0 0 0
- -4.0887 0.5737 0.0000 Cl 0 0 0
- 4.0887 0.5737 0.0000 Cl 0 0 0
- -0.4089 1.1230 0.0000 H 0 0 0
- -2.2038 1.2717 0.0000 H 0 0 0
- 2.2038 1.2717 0.0000 H 0 0 0
- 0.4089 1.1230 0.0000 H 0 0 0
- -3.6883 -1.5163 0.0000 H 0 0 0
- -1.8933 -1.6650 0.0000 H 0 0 0
- 1.8933 -1.6650 0.0000 H 0 0 0
- 3.6883 -1.5163 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3025-77-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 2.8745 -0.4033 -0.1616 C 0 0 0
- 2.0902 0.8295 -0.0870 C 0 0 0
- 4.2800 -0.3308 -0.0090 C 0 0 0
- 2.2643 -1.6445 -0.3739 C 0 0 0
- 0.7403 0.8029 -0.2287 N 0 0 0
- 2.7630 2.0369 0.1333 C 0 0 0
- 4.8921 0.9174 0.2107 C 0 0 0
- 5.0389 -1.5109 -0.0796 C 0 0 0
- 3.0309 -2.7708 -0.4367 C 0 0 0
- 0.0366 -0.0366 0.4527 N 0 0 0
- 4.1523 2.0541 0.2773 C 0 0 0
- 2.0461 3.2234 0.2085 N 0 0 0
- 4.4140 -2.7024 -0.2930 C 0 0 0
- -1.3223 -0.0633 0.3100 C 0 0 0
- -2.0879 -0.9713 1.0465 C 0 0 0
- -1.9538 0.8214 -0.5690 C 0 0 0
- -3.4589 -0.9924 0.8972 C 0 0 0
- -3.3253 0.7885 -0.7076 C 0 0 0
- -4.0764 -0.1175 0.0209 C 0 0 0
- -5.5483 -0.1468 -0.1340 N 0 3 0
- -6.0950 0.6219 -0.9044 O 0 0 0
- -6.2127 -0.9397 0.5090 O 0 5 0
- 1.2417 -1.7166 0.0000 H 0 0 0
- 5.9153 0.9794 0.0000 H 0 0 0
- 6.0630 -1.4656 0.0000 H 0 0 0
- 2.5741 -3.6885 0.0000 H 0 0 0
- 4.6354 2.9582 0.0000 H 0 0 0
- 2.5409 4.1212 0.0000 H 0 0 0
- 1.0212 3.2030 0.0000 H 0 0 0
- 4.9660 -3.5662 0.0000 H 0 0 0
- -1.6486 -1.8975 0.0000 H 0 0 0
- -1.4956 1.7384 0.0000 H 0 0 0
- -3.9235 -1.9062 0.0000 H 0 0 0
- -3.7724 1.7110 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 7 11 2 0
- 9 13 1 0
- 18 19 1 0
- 4 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146177-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.5072 -0.7146 -0.0015 C 0 0 0
- -0.9332 -0.4709 -0.0006 C 0 0 0
- 1.3737 0.3816 -0.0014 C 0 0 0
- 1.2678 -1.8329 0.0028 N 0 0 0
- -1.3970 0.8684 0.0004 C 0 0 0
- -1.8086 -1.4749 -0.0012 N 0 0 0
- 0.8670 1.6836 -0.0004 C 0 0 0
- 2.6549 -0.1424 -0.0019 N 0 0 0
- 2.5366 -1.5009 -0.0001 C 0 0 0
- -0.4681 1.9262 0.0009 C 0 0 0
- -2.7126 1.1070 0.0012 N 0 0 0
- -3.0985 -1.2156 -0.0008 C 0 0 0
- 1.8259 2.8461 -0.0003 C 0 0 0
- 3.9055 0.6206 -0.0020 C 0 0 0
- 3.5910 -2.3905 0.0029 N 0 0 0
- -0.9638 3.3493 0.0015 C 0 0 0
- -3.5581 0.1003 0.0011 C 0 0 0
- -4.0883 -2.3520 -0.0014 C 0 0 0
- 2.6296 2.1832 0.0000 H 0 0 0
- 2.4888 3.6498 0.0000 H 0 0 0
- 1.0222 3.5090 0.0000 H 0 0 0
- 4.4481 -0.2687 0.0000 H 0 0 0
- 4.7948 1.1632 0.0000 H 0 0 0
- 3.3629 1.5099 0.0000 H 0 0 0
- 3.4073 -3.4160 0.0000 H 0 0 0
- 4.5709 -2.0368 0.0000 H 0 0 0
- 0.0200 3.6920 0.0000 H 0 0 0
- -1.3065 4.3331 0.0000 H 0 0 0
- -1.9476 3.0066 0.0000 H 0 0 0
- -4.5828 0.2881 0.0000 H 0 0 0
- -4.8739 -1.6678 0.0000 H 0 0 0
- -4.7725 -3.1376 0.0000 H 0 0 0
- -3.3027 -3.0362 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 7 10 2 0
- 8 9 1 0
- 12 17 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 20 1 V2000
- -5.5736 0.2857 0.2135 C 0 0 0
- -6.4732 1.2579 0.9793 C 0 0 0
- -4.4034 -0.1359 1.1045 C 0 0 0
- -6.3697 -0.9319 -0.1796 C 0 0 0
- -5.0713 0.9261 -0.9611 O 0 0 0
- -7.6257 1.6732 0.1017 C 0 0 0
- -3.5173 -1.0935 0.3503 C 0 0 0
- -6.4958 -1.2252 -1.3606 O 0 0 0
- -6.8901 -1.6271 0.6823 O 0 0 0
- -8.4679 2.4526 0.5260 O 0 0 0
- -7.7193 1.2309 -1.0352 O 0 0 0
- -2.5184 -1.5539 0.8860 O 0 0 0
- -3.7969 -1.4106 -0.7979 O 0 0 0
- 6.7666 -0.2748 0.2486 Na 0 3 0
- 15.4161 0.0963 0.0305 Na 0 3 0
- 24.0657 0.4674 -0.1875 Na 0 3 0
- -5.6913 1.5724 0.0000 H 0 0 0
- -6.4886 2.1005 0.0000 H 0 0 0
- -3.6215 0.1787 0.0000 H 0 0 0
- -4.4189 0.7067 0.0000 H 0 0 0
- -4.5512 1.5892 0.0000 H 0 0 0
- -7.3951 -2.3018 0.0000 H 0 0 0
- -7.8938 0.4064 0.0000 H 0 0 0
- -4.3543 -2.0427 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 6 10 2 0
- 6 11 1 0
- 7 12 2 0
- 7 13 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 5 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60504-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 80 1 V2000
- -0.4957 1.6694 -0.3017 C 0 0 0
- -0.0730 0.5817 0.4260 C 0 0 0
- 0.4179 2.8170 -0.6481 C 0 0 2
- -1.8143 1.7443 -0.7443 C 0 0 0
- 1.3409 0.4418 0.9281 C 0 0 2
- -0.9684 -0.4511 0.7244 C 0 0 0
- 1.8803 2.4094 -0.4839 C 0 0 2
- 0.1184 3.9872 0.2531 C 0 0 0
- -2.7172 0.7306 -0.4566 C 0 0 0
- 2.0553 1.7913 0.9085 C 0 0 0
- 2.0482 -0.4776 0.0936 O 0 0 0
- -2.2907 -0.3869 0.2850 C 0 0 0
- -0.5484 -1.5205 1.4444 O 0 0 0
- 2.7772 3.6417 -0.6172 C 0 0 0
- 2.2281 1.4503 -1.4845 O 0 0 0
- 0.3034 5.2405 -0.1905 O 0 0 0
- -0.2881 3.7972 1.3749 O 0 0 0
- -4.1152 0.8154 -0.9273 C 0 0 0
- 2.3878 -1.5998 0.9106 C 0 0 1
- -3.2377 -1.4730 0.5963 C 0 0 0
- 4.2423 3.2034 -0.6655 C 0 0 0
- -0.1150 6.3678 0.6234 C 0 0 0
- -5.0644 -0.2717 -0.6104 C 0 0 0
- -4.4834 1.7768 -1.5729 O 0 0 0
- 2.7616 -2.7857 0.0184 C 0 0 0
- 3.4899 -1.2606 1.7501 O 0 0 0
- -4.6324 -1.3911 0.1251 C 0 0 0
- -2.8688 -2.4358 1.2409 O 0 0 0
- -6.3832 -0.2003 -1.0470 C 0 0 0
- 3.9459 -2.3885 -0.8701 C 0 0 1
- 4.5260 -0.7466 0.9154 C 0 0 2
- -5.5367 -2.4168 0.4160 C 0 0 0
- -7.2696 -1.2221 -0.7473 C 0 0 0
- 5.0749 -1.8627 0.0237 C 0 0 2
- 4.4171 -3.5650 -1.6128 N 0 0 0
- 5.6534 -0.1892 1.7868 C 0 0 0
- -6.8505 -2.3272 -0.0348 C 0 0 0
- -5.1356 -3.4944 1.1348 O 0 0 0
- 6.1274 -1.3457 -0.7930 O 0 0 0
- 4.6632 -4.6200 -0.6206 C 0 0 0
- 3.2925 -4.0192 -2.4417 C 0 0 0
- -0.4955 3.0125 0.0000 H 0 0 0
- -2.1722 2.6071 0.0000 H 0 0 0
- 0.8875 -0.3748 0.0000 H 0 0 0
- 2.7348 1.1504 0.0000 H 0 0 0
- 2.8539 2.2757 0.0000 H 0 0 0
- -0.2069 -2.3899 0.0000 H 0 0 0
- 3.1440 4.5008 0.0000 H 0 0 0
- 1.9649 4.1028 0.0000 H 0 0 0
- 2.5465 0.5722 0.0000 H 0 0 0
- 1.4953 -1.8755 0.0000 H 0 0 0
- 3.9746 2.3085 0.0000 H 0 0 0
- 5.1372 2.9357 0.0000 H 0 0 0
- 4.5100 4.0983 0.0000 H 0 0 0
- 0.7607 6.6928 0.0000 H 0 0 0
- -0.4400 7.2435 0.0000 H 0 0 0
- -0.9907 6.0428 0.0000 H 0 0 0
- 1.8725 -3.0719 0.0000 H 0 0 0
- 3.0532 -3.6731 0.0000 H 0 0 0
- -6.7479 0.6596 0.0000 H 0 0 0
- 3.5997 -1.5210 0.0000 H 0 0 0
- 4.1115 0.0904 0.0000 H 0 0 0
- -8.1892 -1.0585 0.0000 H 0 0 0
- 5.4780 -2.7053 0.0000 H 0 0 0
- 6.0674 -1.0265 0.0000 H 0 0 0
- 6.4907 0.2248 0.0000 H 0 0 0
- 5.2394 0.6481 0.0000 H 0 0 0
- -7.4070 -3.0774 0.0000 H 0 0 0
- -4.8098 -4.3698 0.0000 H 0 0 0
- 6.9658 -0.9339 0.0000 H 0 0 0
- 3.7535 -4.8322 0.0000 H 0 0 0
- 4.8754 -5.5297 0.0000 H 0 0 0
- 5.5729 -4.4078 0.0000 H 0 0 0
- 2.9427 -3.1531 0.0000 H 0 0 0
- 2.4264 -4.3690 0.0000 H 0 0 0
- 3.6423 -4.8853 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 9 18 1 0
- 19 11 1 0
- 12 20 1 0
- 14 21 1 0
- 16 22 1 0
- 18 23 1 0
- 18 24 2 0
- 19 25 1 0
- 19 26 1 0
- 20 27 1 0
- 20 28 2 0
- 23 29 1 0
- 25 30 1 0
- 26 31 1 0
- 27 32 1 0
- 29 33 2 0
- 30 34 1 0
- 30 35 1 0
- 31 36 1 0
- 32 37 2 0
- 32 38 1 0
- 34 39 1 0
- 35 40 1 0
- 35 41 1 0
- 7 10 1 0
- 9 12 2 0
- 23 27 2 0
- 31 34 1 0
- 33 37 1 0
- 3 42 1 0
- 4 43 1 0
- 5 44 1 0
- 10 45 1 0
- 10 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 15 50 1 0
- 19 51 1 0
- 21 52 1 0
- 21 53 1 0
- 21 54 1 0
- 22 55 1 0
- 22 56 1 0
- 22 57 1 0
- 25 58 1 0
- 25 59 1 0
- 29 60 1 0
- 30 61 1 0
- 31 62 1 0
- 33 63 1 0
- 34 64 1 0
- 36 65 1 0
- 36 66 1 0
- 36 67 1 0
- 37 68 1 0
- 38 69 1 0
- 39 70 1 0
- 40 71 1 0
- 40 72 1 0
- 40 73 1 0
- 41 74 1 0
- 41 75 1 0
- 41 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.0375 -1.0844 -0.0527 C 0 0 0
- -0.0791 -2.2975 -0.1165 O 0 0 0
- 1.2664 -0.3899 -0.0352 C 0 0 0
- -1.2909 -0.3040 0.0011 C 0 0 0
- 2.0392 -0.3777 1.1281 C 0 0 0
- 1.7347 0.2528 -1.1838 C 0 0 0
- -2.5221 -0.9419 -0.1656 C 0 0 0
- -1.2503 1.0744 0.2248 C 0 0 0
- 3.2556 0.2727 1.1374 C 0 0 0
- 2.9526 0.8991 -1.1603 C 0 0 0
- -3.6884 -0.2071 -0.1137 C 0 0 0
- -2.4241 1.7964 0.2743 C 0 0 0
- 3.7106 0.9120 -0.0022 C 0 0 0
- -3.6405 1.1586 0.1030 C 0 0 0
- 2.2983 -1.3783 0.0000 H 0 0 0
- 1.0575 1.0336 0.0000 H 0 0 0
- -2.5656 -1.9745 0.0000 H 0 0 0
- -0.3408 1.5653 0.0000 H 0 0 0
- 3.9384 -0.5032 0.0000 H 0 0 0
- 2.6944 1.8999 0.0000 H 0 0 0
- -4.6019 -0.6906 0.0000 H 0 0 0
- -2.3887 2.8293 0.0000 H 0 0 0
- 4.6251 1.3935 0.0000 H 0 0 0
- -4.5154 1.7089 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 14 11 2 0
- 10 13 1 0
- 12 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7390-93-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 47 1 V2000
- 0.7503 0.7476 0.1897 C 0 0 0
- 0.3016 -0.5543 0.3123 C 0 0 0
- 2.1331 0.9000 0.2925 C 0 0 0
- -0.1354 1.8814 -0.0237 C 0 0 0
- -1.0665 -0.7818 0.2201 C 0 0 0
- 1.5098 -1.4329 0.5283 C 0 0 0
- 2.7196 -0.4728 0.5152 C 0 0 0
- 2.6459 2.1538 0.1812 C 0 0 0
- -1.5107 1.6481 -0.1096 C 0 0 0
- 0.4582 3.1540 -0.1305 C 0 0 0
- -1.9797 0.3445 0.0006 C 0 0 0
- -1.6102 -2.1325 0.3386 C 0 0 0
- 3.5939 -0.8111 -0.5936 O 0 0 0
- 1.8137 3.2556 -0.0293 C 0 0 0
- 4.1352 2.3583 0.2870 C 0 0 0
- -3.4218 0.0667 -0.0893 C 0 0 0
- -2.9353 -2.3531 0.2496 C 0 0 0
- 4.6480 -1.6181 -0.3950 C 0 0 0
- -3.8796 -1.2613 0.0337 C 0 0 0
- -4.3381 1.0999 -0.2939 C 0 0 0
- 5.5555 -1.9692 -1.5458 C 0 0 0
- 4.8693 -2.0629 0.7064 O 0 0 0
- -5.2546 -1.5217 -0.0536 C 0 0 0
- -5.6820 0.8127 -0.3743 C 0 0 0
- -6.1318 -0.4960 -0.2540 C 0 0 0
- 0.8246 -2.2155 0.0000 H 0 0 0
- 2.2273 -2.1860 0.0000 H 0 0 0
- 3.4423 0.2753 0.0000 H 0 0 0
- -2.1782 2.4458 0.0000 H 0 0 0
- -0.1330 4.0098 0.0000 H 0 0 0
- -0.9590 -2.9436 0.0000 H 0 0 0
- 2.2422 4.2034 0.0000 H 0 0 0
- 4.2767 1.3278 0.0000 H 0 0 0
- 5.1657 2.4998 0.0000 H 0 0 0
- 3.9937 3.3888 0.0000 H 0 0 0
- -3.2884 -3.3315 0.0000 H 0 0 0
- -4.0135 2.0881 0.0000 H 0 0 0
- 5.1802 -2.9393 0.0000 H 0 0 0
- 6.5256 -2.3445 0.0000 H 0 0 0
- 5.9308 -0.9991 0.0000 H 0 0 0
- -5.5996 -2.5030 0.0000 H 0 0 0
- -6.3719 1.5912 0.0000 H 0 0 0
- -7.1536 -0.6906 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 1 0
- 18 22 2 0
- 19 23 1 0
- 20 24 2 0
- 23 25 2 0
- 6 7 1 0
- 9 11 2 0
- 10 14 1 0
- 17 19 1 0
- 24 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 9 29 1 0
- 10 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 15 35 1 0
- 17 36 1 0
- 20 37 1 0
- 21 38 1 0
- 21 39 1 0
- 21 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-64-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0000 0.0971 0.0000 C 0 0 0
- -1.2492 0.9804 0.0000 C 0 0 0
- 1.2492 0.9804 0.0000 C 0 0 0
- -2.8545 -0.1547 0.0000 Br 0 0 0
- 2.8545 -0.1547 0.0000 Br 0 0 0
- -0.8731 -0.8809 0.0000 H 0 0 0
- 0.8731 -0.8809 0.0000 H 0 0 0
- -0.3761 1.9584 0.0000 H 0 0 0
- -2.1223 1.9584 0.0000 H 0 0 0
- 2.1223 1.9584 0.0000 H 0 0 0
- 0.3761 1.9584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14882-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- -1.0634 0.9607 0.0075 C 0 0 0
- -0.9934 -0.4141 0.2410 C 0 0 0
- 0.1068 1.6756 -0.2257 C 0 0 0
- -2.3502 1.4004 0.0607 O 0 0 0
- 0.2004 -1.0671 0.2563 C 0 0 0
- -2.4168 -0.9032 0.4324 C 0 0 0
- 1.3316 1.0287 -0.2191 C 0 0 0
- -3.2402 0.2857 -0.1163 C 0 0 0
- 1.3842 -0.3560 0.0263 C 0 0 0
- 2.4742 1.7128 -0.4450 O 0 0 0
- -4.4862 0.4856 0.7489 C 0 0 0
- 2.6844 -1.0284 0.0354 C 0 0 0
- 3.6695 1.1026 -0.4396 C 0 0 0
- -5.3658 -0.6604 0.6027 O 0 0 0
- -4.0718 0.6267 2.2149 C 0 0 0
- -5.2196 1.7518 0.3020 C 0 0 0
- 3.7947 -0.2809 -0.1980 C 0 0 0
- 4.6725 1.7612 -0.6489 O 0 0 0
- -5.7168 -1.0852 -0.6213 C 0 0 0
- 5.1556 -0.9283 -0.1982 C 0 0 0
- -6.7451 -2.1763 -0.7740 C 0 0 0
- -5.2084 -0.5928 -1.6005 O 0 0 0
- 6.0075 -0.3071 0.8786 C 0 0 0
- 5.0073 -2.4273 0.0701 C 0 0 0
- 5.8206 -0.7171 -1.5598 C 0 0 0
- 6.4879 -1.0507 1.8442 C 0 0 0
- 0.0746 2.7056 0.0000 H 0 0 0
- 0.2212 -2.0973 0.0000 H 0 0 0
- -3.3140 -1.4100 0.0000 H 0 0 0
- -1.9942 -1.8430 0.0000 H 0 0 0
- -3.7894 -0.5862 0.0000 H 0 0 0
- 2.7438 -2.0571 0.0000 H 0 0 0
- -3.7397 -0.3488 0.0000 H 0 0 0
- -3.0963 0.9588 0.0000 H 0 0 0
- -4.4039 1.6022 0.0000 H 0 0 0
- -4.3279 2.2683 0.0000 H 0 0 0
- -5.7361 2.6435 0.0000 H 0 0 0
- -6.1113 1.2353 0.0000 H 0 0 0
- -7.4950 -1.4696 0.0000 H 0 0 0
- -7.4518 -2.9262 0.0000 H 0 0 0
- -5.9952 -2.8830 0.0000 H 0 0 0
- 6.1956 0.7060 0.0000 H 0 0 0
- 3.9819 -2.3258 0.0000 H 0 0 0
- 4.9058 -3.4527 0.0000 H 0 0 0
- 6.0327 -2.5288 0.0000 H 0 0 0
- 6.1325 -1.6992 0.0000 H 0 0 0
- 6.8027 -0.4052 0.0000 H 0 0 0
- 5.5087 0.2650 0.0000 H 0 0 0
- 6.0179 -1.9677 0.0000 H 0 0 0
- 7.5171 -0.9992 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 2 0
- 14 19 1 0
- 17 20 1 0
- 19 21 1 0
- 19 22 2 0
- 20 23 1 0
- 20 24 1 0
- 20 25 1 0
- 23 26 2 0
- 6 8 1 0
- 7 9 2 0
- 13 17 1 0
- 3 27 1 0
- 5 28 1 0
- 6 29 1 0
- 6 30 1 0
- 8 31 1 0
- 12 32 1 0
- 15 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 16 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79660-72-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 0.7020 0.0285 0.1291 C 0 0 0
- 1.3622 -1.1987 -0.0630 C 0 0 0
- 1.4273 1.1876 0.3150 N 0 0 0
- -0.6893 0.0573 0.1349 C 0 0 0
- 2.8345 -1.2151 -0.0612 C 0 0 0
- 0.6284 -2.3728 -0.2504 C 0 0 0
- 2.7663 1.2110 0.3232 C 0 0 0
- 0.7022 2.4454 0.5111 C 0 0 0
- -1.4033 -1.1172 -0.0476 C 0 0 0
- -1.3421 1.2258 0.3183 F 0 0 0
- 3.5223 0.0704 0.1441 C 0 0 0
- 3.4581 -2.2499 -0.2226 O 0 0 0
- -0.7372 -2.3287 -0.2470 C 0 0 0
- 0.4779 3.1212 -0.8430 C 0 0 0
- -2.7976 -1.0872 -0.0411 N 0 0 0
- 4.9900 0.1377 0.1593 C 0 0 0
- -1.4468 -3.4639 -0.4282 F 0 0 0
- -0.2146 4.3223 -0.6557 F 0 0 0
- -3.2041 -0.1393 -1.0858 C 0 0 0
- -3.2011 -0.5037 1.2443 C 0 0 0
- 5.7180 -0.9834 -0.0156 O 0 0 0
- 5.5479 1.2043 0.3297 O 0 0 0
- -4.7226 0.0388 -1.0560 C 0 0 0
- -4.7195 -0.3257 1.2741 C 0 0 0
- -5.1260 0.6222 0.2294 N 0 0 0
- -6.5946 0.6538 0.2362 C 0 0 0
- 1.1124 -3.2804 0.0000 H 0 0 0
- 3.2449 2.1214 0.0000 H 0 0 0
- -0.3169 2.5845 0.0000 H 0 0 0
- 0.1284 1.5917 0.0000 H 0 0 0
- 1.4970 2.9821 0.0000 H 0 0 0
- 1.0516 3.9749 0.0000 H 0 0 0
- -2.2029 0.0964 0.0000 H 0 0 0
- -3.2629 0.8876 0.0000 H 0 0 0
- -2.2401 -0.1371 0.0000 H 0 0 0
- -3.3282 0.5170 0.0000 H 0 0 0
- 6.2782 -1.8461 0.0000 H 0 0 0
- -5.6836 -0.3278 0.0000 H 0 0 0
- -4.5956 -0.9819 0.0000 H 0 0 0
- -5.7207 -0.5614 0.0000 H 0 0 0
- -4.6607 -1.3526 0.0000 H 0 0 0
- -6.5725 1.6821 0.0000 H 0 0 0
- -7.6229 0.6759 0.0000 H 0 0 0
- -6.6167 -0.3745 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 1 0
- 16 21 1 0
- 16 22 2 0
- 19 23 1 0
- 20 24 1 0
- 23 25 1 0
- 25 26 1 0
- 7 11 2 0
- 9 13 1 0
- 24 25 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 14 31 1 0
- 14 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 23 38 1 0
- 23 39 1 0
- 24 40 1 0
- 24 41 1 0
- 26 42 1 0
- 26 43 1 0
- 26 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88598-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- 0.5450 -0.0156 -0.0001 C 0 0 0
- -0.7500 0.5316 0.0114 C 0 0 0
- 1.6673 0.8375 0.0074 C 0 0 0
- 0.7139 -1.4180 -0.0250 C 0 0 0
- -1.8726 -0.3264 0.0030 C 0 0 0
- -0.9154 1.9346 0.0307 C 0 0 0
- 2.9564 0.2807 -0.0053 C 0 0 0
- 1.4741 2.2412 0.0272 C 0 0 0
- 2.0085 -1.9325 -0.0353 C 0 0 0
- -0.4291 -2.2546 -0.0381 C 0 0 0
- -3.1504 0.2379 0.0143 C 0 0 0
- -1.6750 -1.7287 -0.0169 C 0 0 0
- 0.2288 2.7691 0.0383 C 0 0 0
- -2.2104 2.4592 0.0413 C 0 0 0
- 3.1128 -1.0874 -0.0207 C 0 0 0
- 4.1241 1.2328 -0.0094 C 0 0 0
- -3.3012 1.6114 0.0326 C 0 0 0
- -4.3449 -0.6369 0.0061 N 0 3 0
- 4.4718 -1.7418 -0.0242 C 0 0 0
- 5.4067 0.5157 0.4056 C 0 0 0
- -5.2659 -0.4028 -0.7558 O 0 0 0
- -4.4066 -1.5905 0.7613 O 0 5 0
- 5.5491 -0.7481 -0.4511 C 0 0 0
- 2.3114 2.8821 0.0000 H 0 0 0
- 2.1530 -2.9770 0.0000 H 0 0 0
- -0.3068 -3.3019 0.0000 H 0 0 0
- -2.5107 -2.3716 0.0000 H 0 0 0
- 0.1082 3.8166 0.0000 H 0 0 0
- -2.3553 3.5036 0.0000 H 0 0 0
- 4.7499 2.0814 0.0000 H 0 0 0
- 3.3606 1.9600 0.0000 H 0 0 0
- -4.2722 2.0224 0.0000 H 0 0 0
- 3.8989 -2.6270 0.0000 H 0 0 0
- 5.2782 -2.4211 0.0000 H 0 0 0
- 6.4563 0.4155 0.0000 H 0 0 0
- 5.7208 1.5222 0.0000 H 0 0 0
- 6.0859 -1.6556 0.0000 H 0 0 0
- 6.5489 -0.4133 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 2 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 23 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-57-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.3296 0.1607 -0.2974 C 0 0 0
- 0.6600 -0.9959 -0.0684 C 0 0 0
- 0.1639 -0.6519 -1.3638 O 0 0 0
- 0.4787 1.4223 -0.1282 C 0 0 0
- -1.7754 0.1379 0.1271 C 0 0 0
- 1.9924 -0.2889 0.2298 C 0 0 0
- 0.3237 -2.3101 0.6393 C 0 0 0
- 1.7475 1.1369 0.1616 O 0 0 0
- 0.0357 2.5409 -0.2400 O 0 0 0
- -2.6025 -0.8015 -0.3578 O 0 0 0
- -2.1901 0.9652 0.9039 O 0 0 0
- 2.4800 -0.6668 1.6299 C 0 0 0
- 2.9699 -0.6642 -0.7427 O 0 0 0
- -3.9955 -0.8236 0.0512 C 0 0 0
- -0.6212 -2.0683 0.0000 H 0 0 0
- 0.0819 -3.2550 0.0000 H 0 0 0
- 1.2686 -2.5519 0.0000 H 0 0 0
- 1.8825 -1.4377 0.0000 H 0 0 0
- 3.2509 -1.2643 0.0000 H 0 0 0
- 3.0775 0.1041 0.0000 H 0 0 0
- 3.8805 -1.0138 0.0000 H 0 0 0
- -4.0110 0.1517 0.0000 H 0 0 0
- -4.9708 -0.8391 0.0000 H 0 0 0
- -3.9800 -1.7989 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 10 14 1 0
- 2 3 1 0
- 6 8 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105467-67-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.8494 0.1390 -0.0036 C 0 0 0
- -2.1391 -0.5601 -0.0031 C 0 0 0
- -0.8368 1.5571 0.0002 C 0 0 0
- 0.3536 -0.5617 -0.0019 C 0 0 0
- -3.3252 0.2066 0.0011 C 0 0 0
- -2.2119 -1.9534 -0.0063 C 0 0 0
- 0.3159 2.2183 0.0003 N 0 0 0
- -2.0659 2.2627 0.0044 C 0 0 0
- 1.5387 0.1720 -0.0020 C 0 0 0
- -3.2493 1.6186 0.0053 C 0 0 0
- -4.5679 -0.4508 0.0016 C 0 0 0
- -3.4400 -2.5757 -0.0053 C 0 0 0
- 1.4877 1.5885 -0.0035 C 0 0 0
- 2.8416 -0.5016 0.0004 C 0 0 0
- -4.6111 -1.8304 -0.0021 C 0 0 0
- -5.7201 0.2678 0.0061 O 0 0 0
- 2.6906 2.3387 -0.0033 C 0 0 0
- 4.0138 0.2869 0.0008 C 0 0 0
- 2.9454 -1.8932 0.0027 C 0 0 0
- 3.8984 1.7411 -0.0071 C 0 0 0
- 5.2643 -0.3431 0.0030 C 0 0 0
- 4.1798 -2.4794 0.0053 C 0 0 0
- 5.3343 -1.7065 0.0048 C 0 0 0
- 0.3677 -1.6080 0.0000 H 0 0 0
- -1.3349 -2.5242 0.0000 H 0 0 0
- -2.0540 3.3090 0.0000 H 0 0 0
- -4.1342 2.1771 0.0000 H 0 0 0
- -3.4911 -3.6209 0.0000 H 0 0 0
- -5.5362 -2.3195 0.0000 H 0 0 0
- -6.6080 0.8215 0.0000 H 0 0 0
- 2.6393 3.3838 0.0000 H 0 0 0
- 2.0823 -2.4849 0.0000 H 0 0 0
- 4.7648 2.3278 0.0000 H 0 0 0
- 6.1409 0.2283 0.0000 H 0 0 0
- 4.2564 -3.5230 0.0000 H 0 0 0
- 6.2697 -2.1755 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 1 0
- 18 20 1 0
- 22 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- 0.4986 0.7556 -0.7284 C 0 0 2
- -0.1998 -0.4052 -0.0647 C 0 0 0
- 1.5459 1.2744 0.2293 C 0 0 2
- -0.6911 1.6558 -1.0332 C 0 0 1
- 1.2077 0.2294 -1.9800 C 0 0 0
- -1.5055 -0.4150 -0.5400 C 0 0 0
- 0.3193 -1.2475 0.8882 C 0 0 0
- 2.4276 0.1075 0.6472 C 0 0 1
- 0.9698 2.0526 1.3532 C 0 0 0
- -1.7014 0.6353 -1.3702 O 0 0 0
- -1.2468 2.2766 0.2536 C 0 0 2
- 2.1461 -0.8946 -1.5131 C 0 0 0
- -2.3541 -1.4265 -0.0806 C 0 0 0
- 1.7118 -1.0145 1.3779 C 0 0 0
- -0.5299 -2.2459 1.3314 C 0 0 0
- 3.1227 -0.4048 -0.5416 N 0 0 0
- -0.2442 2.5043 1.3247 C 0 0 0
- -2.3054 1.4599 0.7579 O 0 0 0
- -1.8250 -2.3245 0.8449 C 0 0 0
- -3.6382 -1.5294 -0.5167 O 0 0 0
- 3.9040 -1.5696 -0.1045 C 0 0 0
- 2.3252 1.8572 0.0000 H 0 0 0
- -0.0319 2.3716 0.0000 H 0 0 0
- 2.1503 0.4711 0.0000 H 0 0 0
- 1.3950 1.1843 0.0000 H 0 0 0
- 3.1116 0.7997 0.0000 H 0 0 0
- 1.5547 2.8303 0.0000 H 0 0 0
- -1.6615 3.1569 0.0000 H 0 0 0
- 1.3534 -1.4590 0.0000 H 0 0 0
- 2.6479 -1.7283 0.0000 H 0 0 0
- 1.6352 -1.9846 0.0000 H 0 0 0
- 2.6345 -1.3237 0.0000 H 0 0 0
- -0.0950 -3.1164 0.0000 H 0 0 0
- -0.1796 3.4753 0.0000 H 0 0 0
- -3.0759 0.8655 0.0000 H 0 0 0
- -2.2820 -3.1836 0.0000 H 0 0 0
- -4.6082 -1.6071 0.0000 H 0 0 0
- 3.0959 -2.1117 0.0000 H 0 0 0
- 4.4461 -2.3777 0.0000 H 0 0 0
- 4.7121 -1.0275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 11 18 1 0
- 13 19 1 0
- 13 20 1 0
- 16 21 1 0
- 6 10 1 0
- 8 14 1 0
- 11 17 1 0
- 12 16 1 0
- 15 19 2 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 21 39 1 0
- 21 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-17-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3143 -0.1833 -0.0004 C 0 0 0
- -1.8159 -1.4892 -0.0019 F 0 0 0
- -1.7635 0.4902 -1.1414 F 0 0 0
- -1.7619 0.4869 1.1431 F 0 0 0
- 0.1922 -0.2238 -0.0015 C 0 0 0
- 0.9195 0.9594 -0.0003 C 0 0 0
- 0.8512 -1.4377 0.0021 C 0 0 0
- 0.2564 2.1887 0.0019 N 0 0 0
- 2.3082 0.9175 -0.0008 C 0 0 0
- 2.2333 -1.4758 0.0016 C 0 0 0
- 2.9607 -0.2994 -0.0025 C 0 0 0
- 0.3086 -2.3218 0.0000 H 0 0 0
- 0.8008 3.0717 0.0000 H 0 0 0
- -0.7805 2.2187 0.0000 H 0 0 0
- 2.8543 1.7995 0.0000 H 0 0 0
- 2.7258 -2.3888 0.0000 H 0 0 0
- 3.9976 -0.3313 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 10 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148-65-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- -1.1976 0.1614 0.4582 N 0 0 0
- -1.3862 -1.1793 0.1431 C 0 0 0
- -0.2455 0.5409 1.5050 C 0 0 0
- -1.9463 1.1952 -0.2608 C 0 0 0
- -0.6433 -1.7578 -0.8807 C 0 0 0
- -2.2677 -1.8956 0.8239 N 0 0 0
- 1.1152 0.7536 0.8933 C 0 0 0
- -3.3563 1.3029 0.3234 C 0 0 0
- -0.8412 -3.0931 -1.1837 C 0 0 0
- -2.4771 -3.1707 0.5568 C 0 0 0
- 1.6557 1.8891 0.3887 C 0 0 0
- 2.4358 -0.4234 0.6529 S 0 0 0
- -4.1071 2.3395 -0.3975 N 0 0 0
- -1.7788 -3.8072 -0.4499 C 0 0 0
- 2.9377 1.8498 -0.1279 C 0 0 0
- 3.6169 0.6757 -0.1115 C 0 0 0
- -4.2859 1.8524 -1.7718 C 0 0 0
- -5.4440 2.3914 0.2092 C 0 0 0
- 5.2208 0.3324 -0.6803 Cl 0 0 0
- 0.0341 1.4651 0.0000 H 0 0 0
- -0.9568 1.1938 0.0000 H 0 0 0
- -1.0542 1.5645 0.0000 H 0 0 0
- -2.0983 2.1487 0.0000 H 0 0 0
- 0.2530 -1.3987 0.0000 H 0 0 0
- -4.2484 0.9336 0.0000 H 0 0 0
- -3.2043 0.3494 0.0000 H 0 0 0
- -0.0098 -3.5841 0.0000 H 0 0 0
- -3.3891 -3.4876 0.0000 H 0 0 0
- 1.1527 2.7133 0.0000 H 0 0 0
- -1.8214 -4.7718 0.0000 H 0 0 0
- 3.4329 2.6787 0.0000 H 0 0 0
- -5.1923 2.1851 0.0000 H 0 0 0
- -4.6186 0.9460 0.0000 H 0 0 0
- -3.3795 1.5197 0.0000 H 0 0 0
- -5.4065 3.3562 0.0000 H 0 0 0
- -6.4088 2.4289 0.0000 H 0 0 0
- -5.4815 1.4266 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 16 19 1 0
- 10 14 1 0
- 15 16 2 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99601-31-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.2959 -0.4403 -0.0700 C 0 0 0
- -1.1325 -0.1385 -0.0169 C 0 0 0
- 1.2024 0.6181 -0.1730 C 0 0 0
- 1.0122 -1.5873 -0.0468 N 0 0 0
- -1.5445 1.2164 -0.0718 C 0 0 0
- -2.0443 -1.1046 0.0817 N 0 0 0
- 2.4612 0.0431 -0.2027 N 0 0 0
- 0.7462 1.9375 -0.2242 C 0 0 0
- 2.2914 -1.3075 -0.1219 C 0 0 0
- -2.8485 1.5080 -0.0242 N 0 0 0
- -0.5771 2.2340 -0.1751 C 0 0 0
- -3.3219 -0.7933 0.1274 C 0 0 0
- 3.7385 0.7534 -0.3044 C 0 0 0
- 3.3098 -2.2382 -0.1240 N 0 0 0
- -3.7306 0.5382 0.0727 C 0 0 0
- -4.3530 -1.8867 0.2384 C 0 0 0
- 4.1801 1.2104 1.0873 C 0 0 0
- 1.4356 2.7091 0.0000 H 0 0 0
- -0.8781 3.2240 0.0000 H 0 0 0
- 3.8235 -0.2778 0.0000 H 0 0 0
- 4.7129 0.4054 0.0000 H 0 0 0
- 3.0872 -3.2487 0.0000 H 0 0 0
- 4.2962 -1.9257 0.0000 H 0 0 0
- -4.7403 0.7641 0.0000 H 0 0 0
- -5.1058 -1.1768 0.0000 H 0 0 0
- -5.0629 -2.6395 0.0000 H 0 0 0
- -3.6002 -2.5966 0.0000 H 0 0 0
- 4.9242 0.4914 0.0000 H 0 0 0
- 4.8991 1.9545 0.0000 H 0 0 0
- 3.4360 1.9294 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 13 17 1 0
- 7 9 1 0
- 8 11 2 0
- 12 15 1 0
- 8 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14098-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- 2.2386 0.6301 -0.3786 C 0 0 0
- 2.1300 -0.5805 0.2999 C 0 0 0
- 3.4895 1.1693 -0.6307 C 0 0 0
- 1.1192 1.2849 -0.7879 O 0 0 0
- 3.2731 -1.2400 0.7208 C 0 0 0
- 0.9043 -1.1147 0.5486 O 0 0 0
- 4.6267 0.5055 -0.2081 C 0 0 0
- 0.5591 1.9093 0.3689 C 0 0 0
- 4.5187 -0.6961 0.4662 C 0 0 0
- 0.7647 -2.2476 -0.3110 C 0 0 0
- -0.6169 2.7948 -0.0480 C 0 0 0
- -0.6740 -2.3229 -0.8262 C 0 0 0
- -1.7848 2.4100 0.6802 O 0 0 0
- -1.5801 -2.1327 0.2623 O 0 0 0
- -2.7605 2.0121 -0.2850 C 0 0 0
- -2.8997 -2.2628 -0.2703 C 0 0 0
- -3.7759 1.0751 0.3720 C 0 0 0
- -3.8189 -1.2318 0.3877 C 0 0 0
- -3.9540 -0.0830 -0.4460 O 0 0 0
- 3.5489 2.1476 0.0000 H 0 0 0
- 3.2184 -2.2186 0.0000 H 0 0 0
- 5.4977 0.9550 0.0000 H 0 0 0
- 1.5031 2.1729 0.0000 H 0 0 0
- 0.7409 2.8724 0.0000 H 0 0 0
- 5.3139 -1.2691 0.0000 H 0 0 0
- 0.7588 -3.2277 0.0000 H 0 0 0
- 1.7428 -2.3106 0.0000 H 0 0 0
- 0.1180 3.4433 0.0000 H 0 0 0
- -1.1044 3.6450 0.0000 H 0 0 0
- -1.2625 -3.1066 0.0000 H 0 0 0
- -0.2132 -3.1879 0.0000 H 0 0 0
- -2.7438 2.9921 0.0000 H 0 0 0
- -3.6549 2.4129 0.0000 H 0 0 0
- -3.7511 -2.7482 0.0000 H 0 0 0
- -2.6024 -3.1967 0.0000 H 0 0 0
- -4.1987 1.9593 0.0000 H 0 0 0
- -4.7455 0.9318 0.0000 H 0 0 0
- -4.7789 -1.0344 0.0000 H 0 0 0
- -4.3082 -2.0810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 7 9 2 0
- 18 19 1 0
- 3 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2876-22-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.0190 0.4028 -0.0030 C 0 0 0
- -0.8428 -1.0543 -0.0014 C 0 0 0
- 0.0379 1.2042 -0.0029 N 0 0 0
- -2.3373 0.9282 0.0012 C 0 0 0
- 0.3782 -1.5803 0.0002 N 0 0 0
- -1.9892 -1.8759 -0.0011 C 0 0 0
- 1.2589 0.6797 -0.0012 C 0 0 0
- -3.4001 0.0716 0.0066 C 0 0 0
- -2.5447 2.3043 0.0002 N 0 0 0
- 1.4370 -0.7771 0.0004 C 0 0 0
- -3.2246 -1.3101 -0.0024 C 0 0 0
- 2.4057 1.5025 -0.0006 C 0 0 0
- 2.7481 -1.2996 0.0016 C 0 0 0
- 3.6384 0.9342 0.0016 C 0 0 0
- 3.8077 -0.4513 0.0013 C 0 0 0
- -1.8890 -2.9148 0.0000 H 0 0 0
- -4.3682 0.4617 0.0000 H 0 0 0
- -1.7287 2.9550 0.0000 H 0 0 0
- -3.5163 2.6856 0.0000 H 0 0 0
- -4.0656 -1.9282 0.0000 H 0 0 0
- 2.3065 2.5415 0.0000 H 0 0 0
- 2.9019 -2.3319 0.0000 H 0 0 0
- 4.4816 1.5493 0.0000 H 0 0 0
- 4.7742 -0.8453 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 10 1 0
- 8 11 1 0
- 14 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2418 0.5991 -0.0028 C 0 0 0
- -0.4537 -0.8021 -0.0009 C 0 0 0
- 1.0753 1.0912 -0.0024 C 0 0 0
- -1.2887 1.4300 0.0006 N 0 0 0
- 0.6498 -1.6707 0.0018 C 0 0 0
- -1.7727 -1.2927 -0.0012 C 0 0 0
- 2.1212 0.2208 -0.0002 C 0 0 0
- -2.5188 0.9764 0.0058 C 0 0 0
- 1.9105 -1.1568 0.0025 C 0 0 0
- -2.7967 -0.3885 -0.0034 C 0 0 0
- 3.5303 0.7552 0.0002 C 0 0 0
- 1.2503 2.1214 0.0000 H 0 0 0
- 0.5041 -2.7054 0.0000 H 0 0 0
- -1.9635 -2.3201 0.0000 H 0 0 0
- -3.3118 1.6569 0.0000 H 0 0 0
- 2.7310 -1.8039 0.0000 H 0 0 0
- -3.7875 -0.7205 0.0000 H 0 0 0
- 3.9008 -0.2218 0.0000 H 0 0 0
- 4.5073 1.1257 0.0000 H 0 0 0
- 3.1598 1.7322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1072-43-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.7077 -0.1410 0.5888 C 0 0 0
- 0.0135 -1.2296 -0.2085 C 0 0 0
- 0.9300 0.3263 -0.0359 S 0 0 0
- -1.7884 0.4995 -0.2846 C 0 0 0
- -1.4853 -0.9586 0.0000 H 0 0 0
- -0.8226 -1.9873 0.0000 H 0 0 0
- 0.8884 -1.9421 0.0000 H 0 0 0
- -1.2131 1.4702 0.0000 H 0 0 0
- -2.7591 1.0748 0.0000 H 0 0 0
- -2.3637 -0.4712 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 3 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4560-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 69 1 V2000
- 0.1907 -2.8923 -0.0550 C 0 0 0
- -0.8320 -1.7653 0.1029 C 0 0 0
- -0.6136 -0.6863 -0.9942 C 0 0 0
- -2.2315 -2.2817 -0.2025 C 0 0 0
- -0.6141 -1.0503 1.4024 C 0 0 0
- 0.8509 -0.2987 -0.9598 C 0 0 0
- -1.1072 -1.4168 -2.2436 C 0 0 0
- -3.2646 -1.4083 0.5121 C 0 0 0
- -2.3951 -2.1255 -1.7366 C 0 0 0
- -1.4672 -0.9762 2.2538 O 0 0 0
- 0.7616 -0.4254 1.5671 C 0 0 0
- 1.1199 0.4307 0.3599 C 0 0 0
- 1.1620 0.5925 -2.1619 C 0 0 0
- -3.2347 0.0031 -0.0779 C 0 0 0
- -4.6587 -2.0101 0.3241 C 0 0 0
- 2.5933 0.8010 0.4739 C 0 0 0
- 2.4424 1.3963 -1.9313 C 0 0 0
- -4.2678 0.8766 0.6367 C 0 0 0
- 2.7019 2.2552 0.9371 C 0 0 0
- 3.2785 0.6655 -0.8874 C 0 0 0
- 3.3393 -0.0885 1.4665 C 0 0 0
- -4.2382 2.2667 0.0556 C 0 0 0
- 4.6933 1.2272 -0.7837 C 0 0 0
- 4.7728 0.4456 1.5963 C 0 0 0
- -3.4697 2.5316 -0.8383 O 0 0 0
- -5.0657 3.2106 0.5312 O 0 0 0
- 5.4702 0.4064 0.2524 C 0 0 0
- 5.5594 -0.9511 -0.1850 O 0 0 0
- -0.5607 -3.5741 0.0000 H 0 0 0
- 0.8725 -3.6437 0.0000 H 0 0 0
- 0.9421 -2.2105 0.0000 H 0 0 0
- -1.2012 0.1409 0.0000 H 0 0 0
- -2.4073 -3.2810 0.0000 H 0 0 0
- 1.5336 -1.0493 0.0000 H 0 0 0
- -0.9683 -2.4219 0.0000 H 0 0 0
- -0.1190 -1.6466 0.0000 H 0 0 0
- -2.3398 -0.9910 0.0000 H 0 0 0
- -2.9721 -1.2909 0.0000 H 0 0 0
- -3.1667 -2.7843 0.0000 H 0 0 0
- 0.9154 -1.4283 0.0000 H 0 0 0
- 1.7687 -0.5490 0.0000 H 0 0 0
- 0.4583 1.1999 0.0000 H 0 0 0
- 0.8994 1.5725 0.0000 H 0 0 0
- 0.1481 0.6301 0.0000 H 0 0 0
- -2.2511 -0.2460 0.0000 H 0 0 0
- -2.7707 0.9054 0.0000 H 0 0 0
- -5.0608 -1.0786 0.0000 H 0 0 0
- -5.5902 -2.4122 0.0000 H 0 0 0
- -4.2566 -2.9416 0.0000 H 0 0 0
- 3.1812 2.0917 0.0000 H 0 0 0
- 1.8220 2.1991 0.0000 H 0 0 0
- -5.2513 1.1258 0.0000 H 0 0 0
- -4.7318 -0.0257 0.0000 H 0 0 0
- 3.7137 2.1796 0.0000 H 0 0 0
- 2.7775 3.2670 0.0000 H 0 0 0
- 1.6901 2.3308 0.0000 H 0 0 0
- 3.3711 -0.3449 0.0000 H 0 0 0
- 2.4929 -0.6480 0.0000 H 0 0 0
- 3.7992 -0.9929 0.0000 H 0 0 0
- 5.5124 1.8260 0.0000 H 0 0 0
- 4.2028 2.1154 0.0000 H 0 0 0
- 5.2069 1.3626 0.0000 H 0 0 0
- 4.0867 1.1930 0.0000 H 0 0 0
- -5.7346 3.9735 0.0000 H 0 0 0
- 6.4000 0.8125 0.0000 H 0 0 0
- 5.6259 -1.9635 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 2 0
- 11 5 1 0
- 12 6 1 0
- 13 6 1 0
- 14 8 1 0
- 15 8 1 0
- 16 12 1 0
- 17 13 1 0
- 18 14 1 0
- 19 16 1 0
- 20 16 1 0
- 21 16 1 0
- 22 18 1 0
- 23 20 1 0
- 24 21 1 0
- 25 22 2 0
- 26 22 1 0
- 27 23 1 0
- 28 27 1 0
- 7 9 1 0
- 11 12 1 0
- 17 20 1 0
- 24 27 1 0
- 1 29 1 0
- 1 30 1 0
- 1 31 1 0
- 3 32 1 0
- 4 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 15 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 19 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 21 58 1 0
- 21 59 1 0
- 23 60 1 0
- 23 61 1 0
- 24 62 1 0
- 24 63 1 0
- 26 64 1 0
- 27 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71839-05-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- -1.7412 -0.0833 -0.0892 C 0 0 0
- -2.8495 0.7783 -0.0078 C 0 0 0
- -0.4098 0.4685 -0.3443 C 0 0 0
- -1.9184 -1.4680 0.0806 C 0 0 0
- -2.6785 2.1711 -0.1711 C 0 0 0
- -4.1329 0.2384 0.2388 C 0 0 0
- 0.6815 -0.3803 -0.4248 C 0 0 0
- -0.2665 1.9154 -0.5094 C 0 0 0
- -0.7454 -2.3353 -0.0099 C 0 0 0
- -3.2047 -1.9814 0.3312 C 0 0 0
- -1.3488 2.7193 -0.4257 C 0 0 0
- -3.7975 3.0021 -0.0849 C 0 0 0
- -4.2804 -1.1575 0.3997 C 0 0 0
- -5.2290 1.1058 0.3180 C 0 0 0
- 0.5281 -1.7671 -0.2646 C 0 0 0
- 2.0509 0.1913 -0.6881 C 0 0 0
- -0.8641 -3.7212 0.1520 C 0 0 0
- -5.0485 2.4636 0.1563 C 0 0 0
- 1.6491 -2.6168 -0.3494 C 0 0 0
- 2.6837 0.5034 0.5545 O 0 0 0
- 0.2428 -4.5118 0.0644 C 0 0 0
- 1.4951 -3.9594 -0.1934 C 0 0 0
- 4.0546 1.0731 0.2191 S 0 0 0
- 3.8976 2.5798 0.0718 O 0 0 0
- 4.8482 0.8795 1.3818 O 0 0 0
- 4.3668 0.5887 -1.0798 O 0 0 0
- 0.6897 2.3385 0.0000 H 0 0 0
- -3.3474 -3.0172 0.0000 H 0 0 0
- -1.2196 3.7569 0.0000 H 0 0 0
- -3.6763 4.0407 0.0000 H 0 0 0
- -5.2410 -1.5704 0.0000 H 0 0 0
- -6.1982 0.7135 0.0000 H 0 0 0
- 1.9390 -0.8483 0.0000 H 0 0 0
- 2.9080 -0.4076 0.0000 H 0 0 0
- -1.8134 -4.1595 0.0000 H 0 0 0
- -5.8820 3.0949 0.0000 H 0 0 0
- 2.6105 -2.2058 0.0000 H 0 0 0
- 0.1359 -5.5519 0.0000 H 0 0 0
- 2.3370 -4.5795 0.0000 H 0 0 0
- 3.7892 3.6198 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 1 0
- 17 21 2 0
- 19 22 2 0
- 20 23 1 0
- 23 24 1 0
- 23 25 2 0
- 23 26 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 18 1 0
- 21 22 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 21 38 1 0
- 22 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-824-69-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -3.0741 -0.5437 -0.0014 Cl 0 0 0
- -1.3645 -0.2426 -0.0019 C 0 0 0
- -0.8896 1.0613 0.0010 C 0 0 0
- -0.4759 -1.3020 0.0006 C 0 0 0
- -1.7636 2.1033 0.0033 O 0 0 0
- 0.4762 1.3018 0.0011 C 0 0 0
- 0.8894 -1.0616 0.0007 C 0 0 0
- 1.3645 0.2428 -0.0017 C 0 0 0
- 1.7634 -2.1036 0.0036 O 0 0 0
- 3.0742 0.5439 -0.0016 Cl 0 0 0
- -0.8318 -2.2791 0.0000 H 0 0 0
- -2.4319 2.9001 0.0000 H 0 0 0
- 0.8321 2.2789 0.0000 H 0 0 0
- 2.4317 -2.9004 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 6 2 0
- 9 7 1 0
- 10 8 1 0
- 7 8 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97461-41-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 5.5435 0.3954 -0.0010 C 0 0 0
- 4.4183 -0.6414 0.0009 C 0 0 0
- 5.4298 1.2736 1.2467 C 0 0 0
- 6.8960 -0.3198 0.0003 C 0 0 0
- 5.4298 1.2691 -1.2518 C 0 0 0
- 3.1233 0.0434 -0.0004 N 0 0 0
- 1.9819 -0.6734 0.0009 C 0 0 0
- 0.7306 -0.0117 -0.0003 C 0 0 0
- 2.0272 -1.8903 0.0031 O 0 0 0
- -0.4179 -0.7330 0.0010 C 0 0 0
- -1.6698 -0.0711 -0.0002 C 0 0 0
- -2.8823 -0.6632 0.0009 O 0 0 0
- -1.8673 1.2942 0.0034 C 0 0 0
- -3.8377 0.2768 -0.0008 C 0 0 0
- -3.2558 1.4966 0.0005 C 0 0 0
- -5.2957 0.0201 -0.0011 N 0 3 0
- -6.0783 0.9534 -0.0027 O 0 0 0
- -5.7126 -1.1243 0.0003 O 0 5 0
- 3.8452 -1.4796 0.0000 H 0 0 0
- 5.1864 -1.3056 0.0000 H 0 0 0
- 6.4368 1.4040 0.0000 H 0 0 0
- 5.2994 2.2806 0.0000 H 0 0 0
- 4.4228 1.1432 0.0000 H 0 0 0
- 6.4213 -1.2174 0.0000 H 0 0 0
- 7.7936 -0.7945 0.0000 H 0 0 0
- 7.3707 0.5778 0.0000 H 0 0 0
- 6.4367 1.4001 0.0000 H 0 0 0
- 5.2988 2.2760 0.0000 H 0 0 0
- 4.4229 1.1381 0.0000 H 0 0 0
- 3.0856 1.0581 0.0000 H 0 0 0
- 0.6929 1.0030 0.0000 H 0 0 0
- -0.3801 -1.7477 0.0000 H 0 0 0
- -1.1489 2.0118 0.0000 H 0 0 0
- -3.7341 2.3923 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 2 0
- 16 18 1 0
- 14 15 2 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 8 31 1 0
- 10 32 1 0
- 13 33 1 0
- 15 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112653-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 39 1 V2000
- -0.2591 0.4020 -0.0683 C 0 0 2
- 0.6022 -0.6457 0.6399 C 0 0 0
- 0.4676 1.7484 -0.0619 C 0 0 2
- -1.5431 0.5354 0.6328 N 0 0 0
- 1.9396 -0.7845 -0.0903 C 0 0 1
- 1.8050 1.6096 -0.7921 C 0 0 1
- 0.7018 2.1570 1.2872 O 0 0 0
- -2.4625 -0.4309 0.0172 C 0 0 0
- 2.6663 0.5619 -0.0840 C 0 0 1
- 2.8008 -1.8323 0.6178 C 0 0 0
- 1.7055 -1.1932 -1.4395 O 0 0 0
- 1.5709 1.2008 -2.1412 O 0 0 0
- -3.4793 -0.9022 1.0588 C 0 0 0
- -3.1972 0.2351 -1.1479 C 0 0 0
- 2.9002 0.9705 1.2652 O 0 0 0
- 2.1221 -3.0897 0.6119 O 0 0 0
- -4.2209 0.2196 1.5421 O 0 0 0
- -4.0915 -0.7049 -1.7467 O 0 0 0
- -0.7346 -0.4827 0.0000 H 0 0 0
- -0.3132 -1.0591 0.0000 H 0 0 0
- 0.7626 -1.6372 0.0000 H 0 0 0
- -0.4101 2.2367 0.0000 H 0 0 0
- -1.8907 1.4777 0.0000 H 0 0 0
- 2.2804 2.4944 0.0000 H 0 0 0
- 1.2013 3.0284 0.0000 H 0 0 0
- -1.8772 -1.2471 0.0000 H 0 0 0
- 3.5441 0.0738 0.0000 H 0 0 0
- 3.6158 -2.4194 0.0000 H 0 0 0
- 3.4880 -1.0998 0.0000 H 0 0 0
- 1.2063 -2.0647 0.0000 H 0 0 0
- 1.0718 0.3292 0.0000 H 0 0 0
- -4.3438 -1.4135 0.0000 H 0 0 0
- -3.0119 -1.7912 0.0000 H 0 0 0
- -2.5167 0.9738 0.0000 H 0 0 0
- -3.9304 0.9215 0.0000 H 0 0 0
- 3.3992 1.8422 0.0000 H 0 0 0
- 1.6450 -3.9736 0.0000 H 0 0 0
- -4.7748 1.0575 0.0000 H 0 0 0
- -4.7838 -1.4326 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 14 18 1 0
- 6 9 1 0
- 1 19 1 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-765-87-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5657 0.7502 0.0174 C 0 0 0
- -0.5669 -0.7494 -0.0155 C 0 0 0
- 0.6985 1.4178 0.5223 C 0 0 0
- -1.5217 1.3936 -0.3447 O 0 0 0
- 0.6958 -1.4189 -0.5218 C 0 0 0
- -1.5251 -1.3912 0.3434 O 0 0 0
- 1.8992 0.7475 -0.1532 C 0 0 0
- 1.8982 -0.7505 0.1524 C 0 0 0
- 1.3770 2.2216 0.0000 H 0 0 0
- 0.0389 2.2371 0.0000 H 0 0 0
- 0.0348 -2.2371 0.0000 H 0 0 0
- 1.3729 -2.2238 0.0000 H 0 0 0
- 2.9358 0.5694 0.0000 H 0 0 0
- 2.2496 1.7392 0.0000 H 0 0 0
- 2.2470 -1.7428 0.0000 H 0 0 0
- 2.9351 -0.5739 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
- 7 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6473-13-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-106113 1 V2000
- -8.0883 -0.2491 0.2523 C 0 0 0
- -9.2161 0.5108 0.6562 C 0 0 0
- -6.8263 0.3732 0.1677 C 0 0 0
- -8.2448 -1.6060 -0.0626 C 0 0 0
- -9.0621 1.8745 0.9666 C 0 0 0
- -10.4765 -0.1078 0.7414 C 0 0 0
- -6.7105 1.7267 0.4833 C 0 0 0
- -5.7368 -0.3365 -0.2160 O 0 0 0
- -9.5022 -2.1864 0.0257 C 0 0 0
- -7.8419 2.4627 0.8810 C 0 0 0
- -10.6111 -1.4243 0.4386 C 0 0 0
- -5.4954 2.3397 0.4057 N 0 0 0
- -9.6627 -3.5083 -0.2796 N 0 0 0
- -7.6721 4.1719 1.2739 S 0 0 0
- -4.7746 2.2110 -0.6564 N 0 0 0
- -10.8298 -4.0518 -0.1989 N 0 0 0
- -8.6699 4.4451 2.2480 O 0 0 0
- -6.2783 4.3933 1.4397 O 0 0 0
- -8.0726 4.9649 0.0380 O 0 0 0
- -3.5579 2.8249 -0.7340 C 0 0 0
- -10.9897 -5.3690 -0.5030 C 0 0 0
- -2.7749 2.6865 -1.8848 C 0 0 0
- -3.0933 3.5988 0.3350 C 0 0 0
- -12.2612 -5.9648 -0.4160 C 0 0 0
- -9.8910 -6.1349 -0.9092 C 0 0 0
- -1.5483 3.3071 -1.9594 C 0 0 0
- -1.8659 4.2161 0.2530 C 0 0 0
- -12.4114 -7.3063 -0.7287 C 0 0 0
- -13.3611 -5.2116 -0.0181 N 0 0 0
- -10.0523 -7.4559 -1.2145 C 0 0 0
- -1.0872 4.0717 -0.8919 C 0 0 0
- -0.5610 3.1335 -3.4085 S 0 0 0
- -11.3088 -8.0522 -1.1248 C 0 0 0
- 0.1548 4.6983 -0.9711 N 0 0 0
- 0.7857 3.0991 -2.9563 O 0 0 0
- -1.1929 2.1272 -4.1879 O 0 0 0
- -0.6961 4.4215 -4.2080 O 0 0 0
- -11.4603 -9.4005 -1.4385 N 0 0 0
- 1.3082 4.0076 -0.6047 C 0 0 0
- 2.5572 4.5894 -0.8004 C 0 0 0
- 1.2079 2.7397 -0.0387 C 0 0 0
- 3.6991 3.9101 -0.4396 C 0 0 0
- 2.3449 2.0544 0.3245 C 0 0 0
- 3.6027 2.6336 0.1241 C 0 0 0
- 4.7326 1.9568 0.4826 N 0 0 0
- 4.6418 0.7797 1.0024 N 0 0 0
- 5.7703 0.1038 1.3605 C 0 0 0
- 5.8645 -0.4728 2.6405 C 0 0 0
- 6.8233 -0.0177 0.4543 C 0 0 0
- 6.9776 -1.1504 3.0202 C 0 0 0
- 4.5190 -0.3122 3.7667 S 0 0 0
- 7.9847 -0.7191 0.8367 C 0 0 0
- 6.7308 0.5324 -0.7813 O 0 0 0
- 8.0617 -1.2880 2.1339 C 0 0 0
- 5.0987 -0.3163 5.0641 O 0 0 0
- 3.6936 0.7165 3.2379 O 0 0 0
- 3.6961 -1.5895 3.6775 O 0 0 0
- 9.0635 -0.8622 -0.0469 C 0 0 0
- 9.2193 -1.9888 2.5179 C 0 0 0
- 10.1920 -1.5590 0.3612 C 0 0 0
- 10.2579 -2.1144 1.6528 C 0 0 0
- 11.2472 -1.7031 -0.4944 N 0 0 0
- 12.2982 -2.3501 -0.1191 N 0 0 0
- 13.3497 -2.4937 -0.9717 C 0 0 0
- 14.4974 -3.1987 -0.5655 C 0 0 0
- 13.2913 -1.9456 -2.2582 C 0 0 0
- 15.5610 -3.3386 -1.4425 C 0 0 0
- 14.5642 -3.7518 0.7093 N 0 0 0
- 14.3461 -2.0905 -3.1129 C 0 0 0
- 15.4875 -2.7834 -2.7135 C 0 0 0
- 16.5569 -2.9240 -3.5942 N 0 0 0
- -7.4389 -2.1894 0.0000 H 0 0 0
- -9.8736 2.4502 0.0000 H 0 0 0
- -11.2930 0.4607 0.0000 H 0 0 0
- -4.9031 -0.8795 0.0000 H 0 0 0
- -11.5140 -1.8421 0.0000 H 0 0 0
- -8.5211 5.8530 0.0000 H 0 0 0
- -2.6294 1.7023 0.0000 H 0 0 0
- -3.7701 4.3281 0.0000 H 0 0 0
- -8.9826 -5.7290 0.0000 H 0 0 0
- -2.0060 5.2011 0.0000 H 0 0 0
- -13.3148 -7.7231 0.0000 H 0 0 0
- -13.2847 -4.2196 0.0000 H 0 0 0
- -14.2584 -5.6415 0.0000 H 0 0 0
- -9.2452 -8.0377 0.0000 H 0 0 0
- 0.1908 5.6926 0.0000 H 0 0 0
- -0.7999 5.4110 0.0000 H 0 0 0
- -12.3721 -9.7986 0.0000 H 0 0 0
- -10.6596 -9.9911 0.0000 H 0 0 0
- 2.6073 5.5831 0.0000 H 0 0 0
- 0.3230 2.2849 0.0000 H 0 0 0
- 4.5819 4.3690 0.0000 H 0 0 0
- 2.2898 1.0610 0.0000 H 0 0 0
- 6.6490 -2.0895 0.0000 H 0 0 0
- 6.5658 1.5136 0.0000 H 0 0 0
- 3.1573 -2.4259 0.0000 H 0 0 0
- 9.3977 0.0749 0.0000 H 0 0 0
- 8.8947 -2.9293 0.0000 H 0 0 0
- 10.9606 -2.8187 0.0000 H 0 0 0
- 12.5985 -1.2315 0.0000 H 0 0 0
- 16.2648 -4.0418 0.0000 H 0 0 0
- 13.7684 -4.3490 0.0000 H 0 0 0
- 15.4793 -4.1424 0.0000 H 0 0 0
- 14.6789 -1.1529 0.0000 H 0 0 0
- 16.9378 -3.8431 0.0000 H 0 0 0
- 17.1624 -2.1346 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 13 16 2 0
- 14 17 2 0
- 14 18 2 0
- 14 19 1 0
- 15 20 1 0
- 16 21 1 0
- 20 22 2 0
- 20 23 1 0
- 21 24 2 0
- 21 25 1 0
- 22 26 1 0
- 23 27 2 0
- 24 28 1 0
- 24 29 1 0
- 25 30 2 0
- 26 31 2 0
- 26 32 1 0
- 28 33 2 0
- 31 34 1 0
- 32 35 2 0
- 32 36 2 0
- 32 37 1 0
- 33 38 1 0
- 34 39 1 0
- 39 40 2 0
- 39 41 1 0
- 40 42 1 0
- 41 43 2 0
- 42 44 2 0
- 44 45 1 0
- 45 46 2 0
- 46 47 1 0
- 47 48 2 0
- 47 49 1 0
- 48 50 1 0
- 48 51 1 0
- 49 52 2 0
- 49 53 1 0
- 50 54 2 0
- 51 55 2 0
- 51 56 2 0
- 51 57 1 0
- 52 58 1 0
- 54 59 1 0
- 58 60 2 0
- 59 61 2 0
- 60 62 1 0
- 62 63 2 0
- 63 64 1 0
- 64 65 2 0
- 64 66 1 0
- 65 67 1 0
- 65 68 1 0
- 66 69 2 0
- 67 70 2 0
- 70 71 1 0
- 7 10 2 0
- 9 11 1 0
- 27 31 1 0
- 30 33 1 0
- 43 44 1 0
- 52 54 1 0
- 60 61 1 0
- 69 70 1 0
- 4 72 1 0
- 5 73 1 0
- 6 74 1 0
- 8 75 1 0
- 11 76 1 0
- 19 77 1 0
- 22 78 1 0
- 23 79 1 0
- 25 80 1 0
- 27 81 1 0
- 28 82 1 0
- 29 83 1 0
- 29 84 1 0
- 30 85 1 0
- 34 86 1 0
- 37 87 1 0
- 38 88 1 0
- 38 89 1 0
- 40 90 1 0
- 41 91 1 0
- 42 92 1 0
- 43 93 1 0
- 50 94 1 0
- 53 95 1 0
- 57 96 1 0
- 58 97 1 0
- 59 98 1 0
- 61 99 1 0
- 66100 1 0
- 67101 1 0
- 68102 1 0
- 68103 1 0
- 69104 1 0
- 71105 1 0
- 71106 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3989-90-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.7399 0.6064 0.0022 C 0 0 0
- -1.5384 -0.5527 0.0011 C 0 0 0
- 0.7160 0.4520 0.0017 C 0 0 0
- -1.3383 1.8787 -0.0019 C 0 0 0
- -2.9943 -0.3981 0.0010 C 0 0 0
- -0.9399 -1.8248 -0.0004 C 0 0 0
- 1.2628 -0.8523 0.0003 C 0 0 0
- 1.5678 1.5602 0.0021 C 0 0 0
- -2.6828 2.0268 -0.0075 C 0 0 0
- -3.5409 0.9063 0.0023 C 0 0 0
- -3.8465 -1.5060 -0.0007 C 0 0 0
- 0.4047 -1.9728 -0.0012 C 0 0 0
- 2.6575 -1.0089 -0.0004 C 0 0 0
- 2.9196 1.3732 0.0010 C 0 0 0
- -4.9356 1.0633 0.0021 C 0 0 0
- -5.1983 -1.3187 -0.0012 C 0 0 0
- 3.4613 0.0919 0.0004 C 0 0 0
- -5.7397 -0.0373 0.0008 C 0 0 0
- 4.9317 -0.0784 -0.0003 N 0 3 0
- 5.6580 0.8993 0.0004 O 0 0 0
- 5.4152 -1.1964 -0.0015 O 0 5 0
- -0.7276 2.7334 0.0000 H 0 0 0
- -1.5505 -2.6795 0.0000 H 0 0 0
- 1.1694 2.5322 0.0000 H 0 0 0
- -3.0955 2.9928 0.0000 H 0 0 0
- -3.4484 -2.4781 0.0000 H 0 0 0
- 0.8174 -2.9388 0.0000 H 0 0 0
- 3.0802 -1.9706 0.0000 H 0 0 0
- 3.5588 2.2068 0.0000 H 0 0 0
- -5.3580 2.0251 0.0000 H 0 0 0
- -5.8377 -2.1522 0.0000 H 0 0 0
- -6.7831 0.0839 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 17 19 1 0
- 19 20 2 0
- 19 21 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111070-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- -1.4027 0.7306 0.2096 C 0 0 0
- -0.6715 -0.3730 0.5549 N 0 0 0
- -0.7351 2.0439 0.0944 C 0 0 0
- -2.7422 0.6294 -0.0350 C 0 0 0
- -1.2514 -1.5821 0.6677 C 0 0 0
- 0.7027 -0.2423 0.7944 N 0 0 0
- -0.5025 2.6042 -1.1628 C 0 0 0
- -0.3392 2.7324 1.2428 C 0 0 0
- -3.3764 -0.6231 0.0692 C 0 0 0
- -2.6220 -1.7327 0.4325 C 0 0 0
- -0.5775 -2.5528 0.9773 O 0 0 0
- 1.5614 -0.7137 -0.0646 C 0 0 0
- 0.1213 3.8307 -1.2632 C 0 0 0
- 0.2835 3.9578 1.1282 C 0 0 0
- -4.8293 -0.7545 -0.1923 C 0 0 0
- 2.9974 -0.5771 0.1857 C 0 0 0
- 0.5161 4.5050 -0.1215 C 0 0 0
- -5.6810 -1.2234 0.8076 C 0 0 0
- -5.3509 -0.4042 -1.4369 C 0 0 0
- 3.9871 -1.0178 -0.6172 O 0 0 0
- 3.5696 0.0243 1.2708 C 0 0 0
- -7.0326 -1.3431 0.5585 C 0 0 0
- -6.7048 -0.5283 -1.6743 C 0 0 0
- 5.1739 -0.7163 -0.0680 C 0 0 0
- 4.9614 -0.0723 1.0991 C 0 0 0
- -7.5437 -0.9989 -0.6804 C 0 0 0
- 6.4993 -1.0350 -0.6487 N 0 3 0
- 7.5157 -0.7120 -0.0602 O 0 0 0
- 6.5725 -1.6199 -1.7145 O 0 5 0
- -3.2729 1.4241 0.0000 H 0 0 0
- -1.3703 3.0043 0.0000 H 0 0 0
- 0.5013 2.2776 0.0000 H 0 0 0
- -3.0222 -2.6005 0.0000 H 0 0 0
- 1.3682 -1.6496 0.0000 H 0 0 0
- -0.7173 4.2889 0.0000 H 0 0 0
- 1.1497 3.5542 0.0000 H 0 0 0
- 0.9453 5.3588 0.0000 H 0 0 0
- -5.4024 -2.1375 0.0000 H 0 0 0
- -5.1145 0.5217 0.0000 H 0 0 0
- 3.2236 0.9151 0.0000 H 0 0 0
- -7.2710 -2.2685 0.0000 H 0 0 0
- -6.9884 0.3843 0.0000 H 0 0 0
- 5.5478 0.6822 0.0000 H 0 0 0
- -8.4985 -0.9600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 12 16 1 0
- 13 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 16 21 2 0
- 18 22 2 0
- 19 23 1 0
- 20 24 1 0
- 21 25 1 0
- 22 26 1 0
- 24 27 1 0
- 27 28 2 0
- 27 29 1 0
- 9 10 2 0
- 14 17 1 0
- 23 26 2 0
- 24 25 2 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 10 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 21 40 1 0
- 22 41 1 0
- 23 42 1 0
- 25 43 1 0
- 26 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.0302 0.1050 0.0585 C 0 0 0
- -0.2342 -0.9235 0.5291 C 0 0 0
- -0.4663 1.3226 -0.2745 C 0 0 0
- -2.7656 -0.1395 -0.1238 S 0 0 0
- 1.1270 -0.7369 0.6678 C 0 0 0
- 0.8946 1.5156 -0.1382 C 0 0 0
- -3.4796 0.2943 1.3060 N 0 0 0
- -3.1932 0.8239 -1.0768 O 0 0 0
- -2.9479 -1.5443 -0.2358 O 0 0 0
- 1.6966 0.4851 0.3340 C 0 0 0
- 3.0755 0.6773 0.4733 N 0 0 0
- 3.9377 -0.1651 -0.1296 C 0 0 0
- 5.4178 -0.0365 0.1229 C 0 0 0
- 3.5223 -1.0266 -0.8755 O 0 0 0
- -0.6158 -1.8573 0.0000 H 0 0 0
- -1.0679 2.1323 0.0000 H 0 0 0
- 1.7257 -1.5488 0.0000 H 0 0 0
- 1.2728 2.4508 0.0000 H 0 0 0
- -3.4570 1.3028 0.0000 H 0 0 0
- -4.3643 -0.1904 0.0000 H 0 0 0
- 3.3906 1.6356 0.0000 H 0 0 0
- 5.5051 -1.0415 0.0000 H 0 0 0
- 6.4228 0.0508 0.0000 H 0 0 0
- 5.3305 0.9685 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 10 2 0
- 2 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111-64-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -0.0010 -0.3376 0.0000 C 0 0 0
- -1.2727 0.5132 0.0000 C 0 0 0
- 1.2250 0.5777 0.0000 C 0 0 0
- -2.4986 -0.4022 0.0000 C 0 0 0
- 2.4775 -0.2603 0.0000 C 0 0 0
- -3.7703 0.4486 0.0000 C 0 0 0
- 2.3978 -1.4654 0.0000 O 0 0 0
- 4.0349 0.5066 0.0000 Cl 0 0 0
- -4.9963 -0.4667 0.0000 C 0 0 0
- -6.2679 0.3841 0.0000 C 0 0 0
- -0.7428 -1.2131 0.0000 H 0 0 0
- 0.7850 -1.1736 0.0000 H 0 0 0
- -0.5309 1.3887 0.0000 H 0 0 0
- -2.0588 1.3492 0.0000 H 0 0 0
- 1.9668 1.4532 0.0000 H 0 0 0
- 0.4390 1.4137 0.0000 H 0 0 0
- -3.2404 -1.2777 0.0000 H 0 0 0
- -1.7125 -1.2382 0.0000 H 0 0 0
- -3.0285 1.3241 0.0000 H 0 0 0
- -4.5563 1.2846 0.0000 H 0 0 0
- -5.7381 -1.3422 0.0000 H 0 0 0
- -4.2103 -1.3027 0.0000 H 0 0 0
- -5.6298 1.3378 0.0000 H 0 0 0
- -7.2216 1.0222 0.0000 H 0 0 0
- -6.9060 -0.5696 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 9 10 1 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-67-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 73 1 V2000
- -0.0919 -2.4364 -0.9452 N 0 0 0
- -1.1560 -1.6404 -0.5137 C 0 0 0
- 1.2004 -2.1896 -0.4752 C 0 0 0
- -1.4648 -0.4659 -1.1880 C 0 0 0
- -1.9114 -2.0249 0.5873 C 0 0 0
- 2.2813 -2.8710 -1.0201 C 0 0 0
- 1.4081 -1.2579 0.5345 C 0 0 0
- -2.5177 0.3184 -0.7590 C 0 0 0
- -2.9626 -1.2361 1.0107 C 0 0 0
- 3.5576 -2.6246 -0.5531 C 0 0 0
- 2.6867 -1.0165 0.9967 C 0 0 0
- -3.2641 -0.0645 0.3402 C 0 0 0
- 3.7600 -1.7009 0.4557 C 0 0 0
- -4.4122 0.7938 0.8052 C 0 0 0
- 5.1539 -1.4352 0.9631 C 0 0 0
- -5.6965 0.3534 0.0998 C 0 0 0
- 5.7858 -0.3040 0.1493 C 0 0 0
- -6.8621 1.2248 0.5720 C 0 0 0
- 7.2010 -0.0342 0.6644 C 0 0 0
- -8.1464 0.7845 -0.1334 C 0 0 0
- 7.8328 1.0969 -0.1494 C 0 0 0
- -9.3120 1.6559 0.3388 C 0 0 0
- 9.2480 1.3667 0.3657 C 0 0 0
- -10.5963 1.2155 -0.3666 C 0 0 0
- 9.8799 2.4979 -0.4481 C 0 0 0
- -11.7619 2.0869 0.1055 C 0 0 0
- 11.2951 2.7677 0.0670 C 0 0 0
- -13.0462 1.6466 -0.5999 C 0 0 0
- 11.9269 3.8988 -0.7468 C 0 0 0
- -0.3134 -3.3964 0.0000 H 0 0 0
- -0.6483 0.0854 0.0000 H 0 0 0
- -1.9965 -3.0064 0.0000 H 0 0 0
- 2.0992 -3.8392 0.0000 H 0 0 0
- 0.7230 -0.5500 0.0000 H 0 0 0
- -2.4359 1.3002 0.0000 H 0 0 0
- -3.7815 -1.7838 0.0000 H 0 0 0
- 4.2455 -3.3299 0.0000 H 0 0 0
- 2.8733 -0.0491 0.0000 H 0 0 0
- -3.6776 1.4503 0.0000 H 0 0 0
- -4.9101 1.6439 0.0000 H 0 0 0
- 5.1103 -2.4194 0.0000 H 0 0 0
- 6.1016 -1.7045 0.0000 H 0 0 0
- -6.4311 -0.3031 0.0000 H 0 0 0
- -5.1986 -0.4967 0.0000 H 0 0 0
- 5.8294 0.6802 0.0000 H 0 0 0
- 4.8381 -0.0347 0.0000 H 0 0 0
- -6.1275 1.8813 0.0000 H 0 0 0
- -7.3600 2.0749 0.0000 H 0 0 0
- 7.1575 -1.0184 0.0000 H 0 0 0
- 8.1487 -0.3034 0.0000 H 0 0 0
- -8.8810 0.1280 0.0000 H 0 0 0
- -7.6485 -0.0656 0.0000 H 0 0 0
- 7.8763 2.0811 0.0000 H 0 0 0
- 6.8851 1.3661 0.0000 H 0 0 0
- -8.5774 2.3124 0.0000 H 0 0 0
- -9.8099 2.5060 0.0000 H 0 0 0
- 9.2044 0.3825 0.0000 H 0 0 0
- 10.1957 1.0974 0.0000 H 0 0 0
- -11.3309 0.5590 0.0000 H 0 0 0
- -10.0984 0.3654 0.0000 H 0 0 0
- 9.9235 3.4821 0.0000 H 0 0 0
- 8.9322 2.7672 0.0000 H 0 0 0
- -11.0273 2.7434 0.0000 H 0 0 0
- -12.2598 2.9370 0.0000 H 0 0 0
- 11.2516 1.7835 0.0000 H 0 0 0
- 12.2428 2.4985 0.0000 H 0 0 0
- -13.3657 2.5785 0.0000 H 0 0 0
- -13.9781 1.3271 0.0000 H 0 0 0
- -12.7267 0.7147 0.0000 H 0 0 0
- 12.7870 3.4184 0.0000 H 0 0 0
- 12.4073 4.7589 0.0000 H 0 0 0
- 11.0668 4.3792 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 19 17 1 0
- 20 18 1 0
- 21 19 1 0
- 22 20 1 0
- 23 21 1 0
- 24 22 1 0
- 25 23 1 0
- 26 24 1 0
- 27 25 1 0
- 28 26 1 0
- 29 27 1 0
- 9 12 1 0
- 11 13 1 0
- 1 30 1 0
- 4 31 1 0
- 5 32 1 0
- 6 33 1 0
- 7 34 1 0
- 8 35 1 0
- 9 36 1 0
- 10 37 1 0
- 11 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 22 55 1 0
- 22 56 1 0
- 23 57 1 0
- 23 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 27 65 1 0
- 27 66 1 0
- 28 67 1 0
- 28 68 1 0
- 28 69 1 0
- 29 70 1 0
- 29 71 1 0
- 29 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62783-49-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.4290 0.6942 -0.4772 C 0 0 0
- -0.8471 -0.6229 -0.4520 C 0 0 0
- 0.9431 1.0395 -0.9962 C 0 0 0
- -1.2717 1.6957 -0.0316 C 0 0 0
- -2.1058 -0.9396 0.0241 C 0 0 0
- 1.9588 0.4335 -0.1317 N 0 0 0
- -2.5322 1.3796 0.4390 C 0 0 0
- -2.9461 0.0609 0.4749 C 0 0 0
- -2.5619 -2.3757 0.0511 C 0 0 0
- 2.3047 -0.7967 -0.3075 N 0 0 0
- 2.5817 1.2247 0.9323 C 0 0 0
- 3.1492 -1.3005 0.4112 O 0 0 0
- -0.1774 -1.3347 0.0000 H 0 0 0
- 1.6442 1.7203 0.0000 H 0 0 0
- 0.4672 1.8931 0.0000 H 0 0 0
- -0.9710 2.6256 0.0000 H 0 0 0
- -3.2028 2.0905 0.0000 H 0 0 0
- -3.9044 -0.1306 0.0000 H 0 0 0
- -3.4933 -2.0799 0.0000 H 0 0 0
- -2.8577 -3.3071 0.0000 H 0 0 0
- -1.6305 -2.6715 0.0000 H 0 0 0
- 3.3496 0.6202 0.0000 H 0 0 0
- 3.1862 1.9926 0.0000 H 0 0 0
- 1.8138 1.8292 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 10 12 2 0
- 7 8 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1222-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 3.7239 0.0813 -0.0007 C 0 0 0
- 2.5794 1.0183 -0.0002 C 0 0 0
- 5.0310 0.5713 -0.0007 C 0 0 0
- 3.5016 -1.2972 0.0046 C 0 0 0
- 1.2116 0.5016 -0.0001 C 0 0 0
- 2.7762 2.2195 0.0003 O 0 0 0
- 6.0940 -0.3081 -0.0013 C 0 0 0
- 4.5733 -2.1653 0.0040 C 0 0 0
- 0.1663 1.3573 0.0004 C 0 0 0
- 5.8667 -1.6729 -0.0019 C 0 0 0
- -1.2098 0.8374 0.0004 C 0 0 0
- -2.2949 1.7202 0.0009 C 0 0 0
- -1.4403 -0.5427 -0.0059 C 0 0 0
- -3.5818 1.2249 0.0010 C 0 0 0
- -2.7328 -1.0218 -0.0058 C 0 0 0
- -3.8013 -0.1415 0.0005 C 0 0 0
- -5.1860 -0.6646 0.0010 N 0 3 0
- -5.3829 -1.8666 0.0006 O 0 0 0
- -6.1284 0.1069 0.0019 O 0 5 0
- 5.2028 1.5949 0.0000 H 0 0 0
- 2.5320 -1.6677 0.0000 H 0 0 0
- 1.0438 -0.5227 0.0000 H 0 0 0
- 7.0664 0.0549 0.0000 H 0 0 0
- 4.4094 -3.1902 0.0000 H 0 0 0
- 0.3341 2.3816 0.0000 H 0 0 0
- 6.6698 -2.3304 0.0000 H 0 0 0
- -2.1318 2.7453 0.0000 H 0 0 0
- -0.6402 -1.2039 0.0000 H 0 0 0
- -4.3880 1.8786 0.0000 H 0 0 0
- -2.9054 -2.0453 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 11 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 10 1 0
- 15 16 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6629-29-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.5472 0.2339 -0.0063 C 0 0 0
- 0.0449 -1.0129 0.0478 C 0 0 0
- 0.2348 1.3718 -0.0601 C 0 0 0
- -2.0226 0.3510 -0.0128 N 0 3 0
- 1.4301 -1.1267 0.0482 C 0 0 0
- -0.8121 -2.2511 0.1069 C 0 0 0
- 1.6202 1.2652 -0.0600 C 0 0 0
- -2.6609 -0.0461 -0.9712 O 0 0 0
- -2.5986 0.8445 0.9402 O 0 5 0
- 2.2184 0.0139 -0.0058 C 0 0 0
- 2.0280 -2.3878 0.1024 N 0 0 0
- 2.4100 2.4158 -0.1149 N 0 0 0
- -0.2143 2.3111 0.0000 H 0 0 0
- -1.6682 -1.6586 0.0000 H 0 0 0
- -1.4046 -3.1072 0.0000 H 0 0 0
- 0.0440 -2.8436 0.0000 H 0 0 0
- 3.2563 -0.0687 0.0000 H 0 0 0
- 1.4363 -3.2445 0.0000 H 0 0 0
- 3.0658 -2.4719 0.0000 H 0 0 0
- 3.4480 2.3347 0.0000 H 0 0 0
- 1.9612 3.3553 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 7 10 1 0
- 3 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105427-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 2.5160 0.1384 -0.2198 C 0 0 0
- 1.0619 -0.2342 -0.0855 C 0 0 0
- 3.1589 0.9250 0.9243 C 0 0 0
- 3.4425 -0.4561 0.6913 O 0 0 0
- 2.9988 0.4265 -1.6427 C 0 0 0
- 0.1289 0.7293 0.0471 N 0 0 0
- 0.7314 -1.4011 -0.0968 O 0 0 0
- -1.2295 0.3936 0.0392 C 0 0 0
- -2.1935 1.3935 0.0402 C 0 0 0
- -1.6165 -0.9398 0.0246 C 0 0 0
- -3.5332 1.0588 0.0324 C 0 0 0
- -2.9583 -1.2679 0.0169 C 0 0 0
- -3.9155 -0.2703 0.0237 C 0 0 0
- 4.1009 1.3573 0.0000 H 0 0 0
- 2.5252 1.7451 0.0000 H 0 0 0
- 3.5299 -0.4635 0.0000 H 0 0 0
- 3.8888 0.9576 0.0000 H 0 0 0
- 2.4677 1.3165 0.0000 H 0 0 0
- 0.4149 1.7255 0.0000 H 0 0 0
- -1.9076 2.3898 0.0000 H 0 0 0
- -0.8994 -1.6881 0.0000 H 0 0 0
- -4.2531 1.8045 0.0000 H 0 0 0
- -3.2478 -2.2631 0.0000 H 0 0 0
- -4.9217 -0.5190 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 1 0
- 8 9 1 0
- 8 10 2 0
- 9 11 2 0
- 10 12 1 0
- 11 13 1 0
- 3 4 1 0
- 12 13 2 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80556-89-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.2611 -0.0600 0.1230 N 0 0 0
- -0.9063 0.5487 0.7657 C 0 0 0
- 0.9582 0.6496 -0.9525 C 0 0 0
- 0.6782 -1.2185 0.5076 N 0 0 0
- -2.1556 0.1402 0.0284 C 0 0 0
- 2.0629 1.5232 -0.3546 C 0 0 0
- 1.6487 -1.7246 -0.0267 O 0 0 0
- -3.3537 0.5820 0.4421 O 0 0 0
- -2.0787 -0.5849 -0.9350 O 0 0 0
- 2.9917 0.6989 0.3525 O 0 0 0
- -0.2792 1.2373 0.0000 H 0 0 0
- -1.4121 1.3308 0.0000 H 0 0 0
- 0.7848 1.5647 0.0000 H 0 0 0
- 0.0670 0.9201 0.0000 H 0 0 0
- 2.7209 2.1824 0.0000 H 0 0 0
- 1.4434 2.2187 0.0000 H 0 0 0
- -4.2276 0.9042 0.0000 H 0 0 0
- 3.6883 0.0807 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7085-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.1094 -0.7118 -0.0013 C 0 0 0
- -1.3315 -0.3910 -0.0009 C 0 0 0
- 1.0204 0.2808 -0.0006 O 0 0 0
- 0.4737 -1.8707 0.0028 O 0 0 0
- -1.7610 0.9751 0.0003 C 0 0 0
- -2.2426 -1.3836 -0.0016 C 0 0 0
- 2.4378 -0.0347 -0.0010 C 0 0 0
- -2.1016 2.0588 0.0012 N 0 0 0
- 3.2490 1.2626 0.0001 C 0 0 0
- -3.2600 -1.1571 0.0000 H 0 0 0
- -1.9300 -2.3779 0.0000 H 0 0 0
- 2.0978 -1.0200 0.0000 H 0 0 0
- 3.3783 -0.4839 0.0000 H 0 0 0
- 4.1327 0.7100 0.0000 H 0 0 0
- 3.8016 2.1463 0.0000 H 0 0 0
- 2.3653 1.8152 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 3 0
- 7 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86-57-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.3727 -0.1528 -0.0123 C 0 0 0
- -1.5052 0.6993 0.0081 C 0 0 0
- 0.9138 0.4098 0.0372 C 0 0 0
- -0.5585 -1.5440 -0.0875 C 0 0 0
- -1.3193 2.0903 0.0769 C 0 0 0
- -2.7920 0.1363 -0.0414 C 0 0 0
- 1.0554 1.7620 0.1039 C 0 0 0
- 2.1089 -0.4633 0.0164 N 0 3 0
- -1.8195 -2.0530 -0.1396 C 0 0 0
- -0.0578 2.5998 0.1229 C 0 0 0
- -2.9333 -1.2156 -0.1081 C 0 0 0
- 2.1608 -1.4421 0.7395 O 0 0 0
- 3.0405 -0.2030 -0.7238 O 0 5 0
- 0.2671 -2.1847 0.0000 H 0 0 0
- -2.1449 2.7309 0.0000 H 0 0 0
- -3.6356 0.7530 0.0000 H 0 0 0
- 2.0135 2.1792 0.0000 H 0 0 0
- -1.9555 -3.0891 0.0000 H 0 0 0
- 0.0784 3.6359 0.0000 H 0 0 0
- -3.8913 -1.6331 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 7 10 2 0
- 9 11 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5460-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.3602 -2.2342 0.0034 O 0 0 0
- -1.0017 -1.0751 0.0031 C 0 0 0
- 0.4349 -0.7270 0.0010 C 0 0 0
- -2.0030 0.0363 -0.0015 C 0 0 0
- 0.8094 0.6302 0.0007 C 0 0 0
- 1.4102 -1.7176 -0.0002 C 0 0 0
- -3.1942 -0.2142 -0.0046 O 0 0 0
- -1.5644 1.3648 -0.0018 C 0 0 0
- -0.2261 1.6803 0.0029 C 0 0 0
- 2.1593 0.9673 -0.0013 C 0 0 0
- 2.7499 -1.3629 -0.0017 C 0 0 0
- 0.1534 2.9978 0.0026 N 0 0 0
- 3.1201 -0.0314 -0.0029 C 0 0 0
- 1.1354 -2.7217 0.0000 H 0 0 0
- -2.2677 2.1323 0.0000 H 0 0 0
- 2.4470 1.9678 0.0000 H 0 0 0
- 3.4814 -2.1035 0.0000 H 0 0 0
- 1.1638 3.2484 0.0000 H 0 0 0
- -0.5688 3.7475 0.0000 H 0 0 0
- 4.1294 0.2236 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 9 1 0
- 13 10 2 0
- 8 9 2 0
- 11 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74550-97-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 67 1 V2000
- -4.3921 -1.0471 -0.7225 N 0 0 0
- -3.8483 -1.8647 0.1991 C 0 0 0
- -3.6064 -0.2561 -1.4780 C 0 0 0
- -5.8451 -1.0224 -0.9084 C 0 0 0
- -2.3555 -1.8973 0.3980 C 0 0 0
- -4.5627 -2.5773 0.8709 O 0 0 0
- -2.1115 -0.2733 -1.2937 C 0 0 0
- -4.1041 0.4727 -2.3091 O 0 0 0
- -6.3905 0.2174 -0.3396 N 0 0 0
- -1.7914 -0.5729 0.1075 N 0 0 0
- -6.6473 -0.0476 1.0821 C 0 0 0
- -7.6991 0.4317 -0.9714 C 0 0 0
- -0.3309 -0.7094 0.1871 C 0 0 0
- -7.3776 1.1451 1.7007 C 0 0 0
- -8.4031 1.6124 -0.3014 C 0 0 0
- 0.3243 0.6417 -0.1065 C 0 0 0
- -8.6484 1.3109 1.0721 O 0 0 0
- 1.7848 0.5052 -0.0269 N 0 0 0
- 2.3489 1.8296 -0.3174 C 0 0 0
- 2.1049 0.2061 1.3748 C 0 0 0
- 3.8417 1.7970 -0.1185 C 0 0 0
- 3.5999 0.1882 1.5583 C 0 0 0
- 4.3856 0.9788 0.8025 N 0 0 0
- 4.5561 2.5097 -0.7903 O 0 0 0
- 4.0976 -0.5409 2.3892 O 0 0 0
- 5.8391 0.9489 0.9835 C 0 0 0
- 6.4591 0.2469 -0.1483 N 0 0 0
- 6.4540 -1.1829 0.1880 C 0 0 0
- 7.8664 0.6661 -0.1852 C 0 0 0
- 7.2406 -1.9594 -0.8689 C 0 0 0
- 8.6176 -0.1567 -1.2327 C 0 0 0
- 8.6036 -1.5354 -0.8633 O 0 0 0
- -6.8240 -1.2940 0.0000 H 0 0 0
- -5.7166 -2.0301 0.0000 H 0 0 0
- -2.5061 -2.9019 0.0000 H 0 0 0
- -1.3780 -2.1739 0.0000 H 0 0 0
- -1.2411 0.2506 0.0000 H 0 0 0
- -2.3777 0.7070 0.0000 H 0 0 0
- -7.4661 -0.6488 0.0000 H 0 0 0
- -5.9796 -0.8132 0.0000 H 0 0 0
- -8.6683 0.1273 0.0000 H 0 0 0
- -7.6270 -0.5816 0.0000 H 0 0 0
- -0.5453 -1.7024 0.0000 H 0 0 0
- 0.6294 -1.0406 0.0000 H 0 0 0
- -6.4143 1.4676 0.0000 H 0 0 0
- -7.4756 2.1562 0.0000 H 0 0 0
- -7.5971 2.2307 0.0000 H 0 0 0
- -9.1111 2.3409 0.0000 H 0 0 0
- 0.5387 1.6347 0.0000 H 0 0 0
- -0.6360 0.9729 0.0000 H 0 0 0
- 2.4995 2.8342 0.0000 H 0 0 0
- 1.3714 2.1061 0.0000 H 0 0 0
- 1.2348 -0.3181 0.0000 H 0 0 0
- 2.3711 -0.7743 0.0000 H 0 0 0
- 6.7423 1.4139 0.0000 H 0 0 0
- 5.6100 1.9386 0.0000 H 0 0 0
- 5.4728 -0.9198 0.0000 H 0 0 0
- 5.9488 -2.0642 0.0000 H 0 0 0
- 8.7106 1.2311 0.0000 H 0 0 0
- 7.4340 1.5853 0.0000 H 0 0 0
- 6.4188 -2.5566 0.0000 H 0 0 0
- 7.6961 -2.8674 0.0000 H 0 0 0
- 9.5928 -0.4411 0.0000 H 0 0 0
- 9.1549 0.7054 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 2 0
- 22 25 2 0
- 23 26 1 0
- 26 27 1 0
- 27 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 7 10 1 0
- 15 17 1 0
- 22 23 1 0
- 31 32 1 0
- 4 33 1 0
- 4 34 1 0
- 5 35 1 0
- 5 36 1 0
- 7 37 1 0
- 7 38 1 0
- 11 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 19 51 1 0
- 19 52 1 0
- 20 53 1 0
- 20 54 1 0
- 26 55 1 0
- 26 56 1 0
- 28 57 1 0
- 28 58 1 0
- 29 59 1 0
- 29 60 1 0
- 30 61 1 0
- 30 62 1 0
- 31 63 1 0
- 31 64 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16757-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.1633 -0.0300 -0.0014 C 0 0 0
- -1.5063 0.3869 -0.0011 C 0 0 0
- 0.8665 0.9278 0.0001 C 0 0 0
- 0.1529 -1.4590 0.0029 C 0 0 0
- -2.5459 -0.5695 -0.0017 C 0 0 0
- -1.8049 1.7690 0.0002 C 0 0 0
- 2.2512 0.4601 -0.0002 C 0 0 0
- 0.5443 2.2980 0.0023 C 0 0 0
- 1.4755 -1.8699 0.0023 C 0 0 0
- -0.9469 -2.4243 0.0074 C 0 0 0
- -2.2276 -1.9951 -0.0021 C 0 0 0
- -3.8700 -0.1258 -0.0014 C 0 0 0
- -0.7490 2.7078 0.0007 C 0 0 0
- -3.1455 2.1725 0.0004 C 0 0 0
- 2.5205 -0.9317 -0.0019 C 0 0 0
- 3.3160 1.3695 0.0007 C 0 0 0
- -3.3470 -3.0041 -0.0022 C 0 0 0
- -4.1510 1.2284 -0.0006 C 0 0 0
- 3.8608 -1.3673 -0.0026 C 0 0 0
- 4.5998 0.9115 -0.0001 C 0 0 0
- 4.8697 -0.4548 -0.0017 C 0 0 0
- 1.3178 3.0149 0.0000 H 0 0 0
- 1.7007 -2.9002 0.0000 H 0 0 0
- -0.7389 -3.4583 0.0000 H 0 0 0
- -4.6587 -0.8260 0.0000 H 0 0 0
- -0.9688 3.7393 0.0000 H 0 0 0
- -3.3867 3.1992 0.0000 H 0 0 0
- 3.1250 2.4067 0.0000 H 0 0 0
- -4.0531 -2.2207 0.0000 H 0 0 0
- -4.1304 -3.7102 0.0000 H 0 0 0
- -2.6409 -3.7875 0.0000 H 0 0 0
- -5.1566 1.5463 0.0000 H 0 0 0
- 4.0812 -2.3987 0.0000 H 0 0 0
- 5.3985 1.6002 0.0000 H 0 0 0
- 5.8707 -0.7868 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 1 0
- 10 11 2 0
- 14 18 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-553-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.7389 0.8667 0.0020 C 0 0 0
- -1.1676 -0.5468 0.0007 C 0 0 0
- 0.5663 1.1710 0.0017 C 0 0 0
- -1.7690 1.9666 -0.0028 C 0 0 0
- -0.1579 -1.6249 -0.0009 C 0 0 0
- -2.3503 -0.8226 0.0004 O 0 0 0
- 1.5760 0.0929 0.0002 C 0 0 0
- 1.1472 -1.3206 -0.0011 C 0 0 0
- 2.7587 0.3686 -0.0004 O 0 0 0
- 0.8879 2.2311 0.0000 H 0 0 0
- -0.9604 2.7239 0.0000 H 0 0 0
- -2.5263 2.7752 0.0000 H 0 0 0
- -2.5776 1.2093 0.0000 H 0 0 0
- -0.4795 -2.6850 0.0000 H 0 0 0
- 1.9045 -2.1292 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 2 0
- 7 9 2 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135768-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 53 1 V2000
- 2.1735 -0.1152 0.0000 C 0 0 1
- 2.1735 1.5124 0.0000 C 0 0 1
- 0.7913 -0.9014 0.0000 C 0 0 1
- 3.7210 -0.5859 0.0000 C 0 0 0
- 3.5056 -0.1002 0.0000 C 0 0 0
- 3.7210 1.9682 0.0000 C 0 0 1
- 0.7913 2.3137 0.0000 C 0 0 0
- 2.1735 3.0950 0.0000 C 0 0 0
- -0.5909 -0.0851 0.0000 C 0 0 2
- 0.7913 -2.4990 0.0000 C 0 0 0
- 4.6074 0.6861 0.0000 C 0 0 2
- 4.0615 0.6961 0.0000 C 0 0 0
- 4.2669 3.4005 0.0000 O 0 0 0
- -0.5909 1.5124 0.0000 C 0 0 0
- -1.9632 -0.9014 0.0000 C 0 0 0
- -0.5909 -3.3003 0.0000 C 0 0 0
- 6.2000 0.6861 0.0000 O 0 0 0
- -1.9632 -2.4990 0.0000 C 0 0 0
- -3.3454 -0.0851 0.0000 C 0 0 0
- -3.3454 -3.3003 0.0000 C 0 0 0
- -4.7276 -0.9014 0.0000 C 0 0 0
- -4.7276 -2.4990 0.0000 C 0 0 0
- -6.1098 -3.3003 0.0000 O 0 0 0
- -0.2493 -1.4954 0.0000 H 0 0 0
- 3.2547 -1.6896 0.0000 H 0 0 0
- 4.7701 -1.1647 0.0000 H 0 0 0
- 3.2727 -1.2755 0.0000 H 0 0 0
- 4.6080 -0.5696 0.0000 H 0 0 0
- 1.5620 3.2311 0.0000 H 0 0 0
- 0.0206 3.2311 0.0000 H 0 0 0
- 3.3717 3.0950 0.0000 H 0 0 0
- 2.1735 4.2932 0.0000 H 0 0 0
- 0.9753 3.0950 0.0000 H 0 0 0
- -1.6324 0.5072 0.0000 H 0 0 0
- 1.2024 -3.6245 0.0000 H 0 0 0
- 1.9712 -2.2902 0.0000 H 0 0 0
- 5.1619 -0.3761 0.0000 H 0 0 0
- 4.8588 -0.1983 0.0000 H 0 0 0
- 5.1160 1.2651 0.0000 H 0 0 0
- 4.6936 4.5201 0.0000 H 0 0 0
- -1.0020 2.6379 0.0000 H 0 0 0
- -1.7708 1.3036 0.0000 H 0 0 0
- -1.3635 -4.2161 0.0000 H 0 0 0
- 0.1789 -4.2185 0.0000 H 0 0 0
- 7.3982 0.6861 0.0000 H 0 0 0
- -3.3454 1.1131 0.0000 H 0 0 0
- -3.3454 -4.4985 0.0000 H 0 0 0
- -5.7682 -0.3074 0.0000 H 0 0 0
- -7.1464 -3.9012 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 1
- 2 6 1 0
- 2 7 1 0
- 2 8 1 1
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 6
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 6
- 15 18 2 0
- 15 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 22 23 1 0
- 6 11 1 0
- 6 12 1 0
- 9 14 1 0
- 16 18 1 0
- 21 22 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 19 46 1 0
- 20 47 1 0
- 21 48 1 0
- 23 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.1546 -1.3552 0.1360 C 0 0 0
- -0.0104 -2.2281 -1.0818 C 0 0 0
- 1.0850 -0.5108 0.2825 C 0 0 0
- -1.3442 -0.4489 -0.0495 C 0 0 0
- -0.3393 -2.1232 1.3335 O 0 0 0
- 0.3646 -3.5104 -0.7009 C 0 0 0
- -0.1825 -1.9620 -2.4307 C 0 0 0
- 1.9965 -0.4372 -0.7548 C 0 0 0
- 1.3059 0.1934 1.4514 C 0 0 0
- -2.5459 -0.7540 0.5618 C 0 0 0
- -1.2300 0.6895 -0.8262 C 0 0 0
- 0.4259 -3.4358 1.0677 S 0 0 0
- 0.5836 -4.4979 -1.6253 C 0 0 0
- 0.0301 -2.9545 -3.3671 C 0 0 0
- 3.1340 0.3368 -0.6234 C 0 0 0
- 2.4420 0.9693 1.5884 C 0 0 0
- -3.6389 0.0760 0.3937 C 0 0 0
- -2.3193 1.5228 -0.9976 C 0 0 0
- 1.7818 -3.1940 1.4177 O 0 0 0
- -0.3947 -4.4901 1.5517 O 0 0 0
- 0.4163 -4.2223 -2.9730 C 0 0 0
- 3.3609 1.0407 0.5512 C 0 0 0
- 4.3801 0.4363 -2.0422 Br 0 0 0
- 2.7436 1.9317 3.1880 Br 0 0 0
- -3.5286 1.2161 -0.3894 C 0 0 0
- -5.2825 -0.3426 1.2298 Br 0 0 0
- -2.1620 3.0796 -2.0594 Br 0 0 0
- 4.4788 1.8028 0.6831 O 0 0 0
- -4.6015 2.0339 -0.5563 O 0 0 0
- -0.5408 -1.0966 0.0000 H 0 0 0
- 2.3080 -1.3205 0.0000 H 0 0 0
- 0.5534 0.7511 0.0000 H 0 0 0
- -2.7324 -1.6719 0.0000 H 0 0 0
- -0.3706 1.0619 0.0000 H 0 0 0
- 0.9327 -5.3670 0.0000 H 0 0 0
- -0.8766 -3.1893 0.0000 H 0 0 0
- -0.4387 -4.6048 0.0000 H 0 0 0
- 5.2527 2.3304 0.0000 H 0 0 0
- -5.3464 2.6017 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 11 18 2 0
- 12 19 2 0
- 12 20 2 0
- 13 21 2 0
- 15 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 2 0
- 17 26 1 0
- 18 27 1 0
- 22 28 1 0
- 25 29 1 0
- 6 12 1 0
- 14 21 1 0
- 16 22 2 0
- 18 25 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 10 33 1 0
- 11 34 1 0
- 13 35 1 0
- 14 36 1 0
- 21 37 1 0
- 28 38 1 0
- 29 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56183-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.5292 0.2796 -0.1249 C 0 0 0
- -0.2585 -0.8494 0.0107 C 0 0 0
- 1.9257 0.1562 -0.0665 C 0 0 0
- -0.1090 1.6247 -0.3400 C 0 0 2
- -1.7340 -0.7040 -0.0433 C 0 0 0
- 0.3258 -2.1115 0.1965 C 0 0 0
- 2.5056 -1.1237 0.1233 C 0 0 0
- 2.7615 1.2800 -0.1939 C 0 0 0
- -1.4111 1.7351 0.4486 C 0 0 1
- -0.3779 1.8072 -1.7315 O 0 0 0
- -2.2989 0.5537 0.1641 C 0 0 0
- -2.5498 -1.8018 -0.2970 C 0 0 0
- 1.6757 -2.2520 0.2524 C 0 0 0
- 3.9046 -1.2430 0.1781 C 0 0 0
- 4.1122 1.1252 -0.1351 C 0 0 0
- -1.1186 1.7852 1.8465 O 0 0 0
- -3.6694 0.7050 0.1115 C 0 0 0
- -3.9202 -1.6386 -0.3452 C 0 0 0
- 4.6821 -0.1331 0.0502 C 0 0 0
- -4.4776 -0.3887 -0.1425 C 0 0 0
- 0.6761 2.2978 0.0000 H 0 0 0
- -0.2754 -2.9529 0.0000 H 0 0 0
- 2.3506 2.2290 0.0000 H 0 0 0
- -1.9498 2.6178 0.0000 H 0 0 0
- -1.2336 2.3879 0.0000 H 0 0 0
- -2.1408 -2.7516 0.0000 H 0 0 0
- 2.0940 -3.1977 0.0000 H 0 0 0
- 4.3426 -2.1798 0.0000 H 0 0 0
- 4.7213 1.9609 0.0000 H 0 0 0
- -0.0993 1.9598 0.0000 H 0 0 0
- -4.0837 1.6525 0.0000 H 0 0 0
- -4.5336 -2.4712 0.0000 H 0 0 0
- 5.7118 -0.2290 0.0000 H 0 0 0
- -5.5056 -0.2768 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 17 20 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 18 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99803-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.2791 -0.0301 0.9216 C 0 0 0
- -1.0077 -0.0004 1.3425 O 0 0 0
- 0.9846 1.1637 0.7634 C 0 0 0
- 0.8930 -1.2542 0.6543 C 0 0 0
- -1.9249 0.1336 0.0261 P 0 0 0
- 2.2788 1.1438 0.3407 C 0 0 0
- 2.1868 -1.2939 0.2306 C 0 0 0
- -3.4611 0.3407 0.4612 O 0 0 0
- -1.4374 1.3996 -0.8410 O 0 0 0
- -1.7726 -1.4161 -0.9976 S 0 0 0
- 2.9072 -0.0906 0.0620 C 0 0 0
- 3.0384 2.4342 0.1702 C 0 0 0
- -3.8033 -0.7604 1.3053 C 0 0 0
- -2.3469 1.5250 -1.9360 C 0 0 0
- 4.1738 -0.1198 -0.3523 N 0 0 0
- 4.7119 -1.1859 -0.5915 O 0 0 0
- 0.4986 2.0309 0.0000 H 0 0 0
- 0.3579 -2.0921 0.0000 H 0 0 0
- 2.6637 -2.1662 0.0000 H 0 0 0
- 3.8951 1.9299 0.0000 H 0 0 0
- 3.5427 3.2909 0.0000 H 0 0 0
- 2.1817 2.9385 0.0000 H 0 0 0
- -4.7526 -0.4654 0.0000 H 0 0 0
- -4.0983 -1.7097 0.0000 H 0 0 0
- -2.8540 -1.0554 0.0000 H 0 0 0
- -2.2111 2.5098 0.0000 H 0 0 0
- -3.3317 1.6608 0.0000 H 0 0 0
- -2.4827 0.5402 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 15 16 2 0
- 7 11 2 0
- 3 17 1 0
- 4 18 1 0
- 7 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.6833 0.6458 0.0271 C 0 0 0
- -0.4982 -0.1076 -0.5275 C 0 0 0
- 0.5131 1.6842 0.6199 O 0 0 0
- 2.2883 0.0174 -0.1798 Cl 0 0 0
- -0.5672 -1.7488 0.2160 Cl 0 0 0
- -2.0153 0.7890 -0.1464 Cl 0 0 0
- 0.5694 -0.7225 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2082-81-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 33 1 V2000
- -3.0765 -0.2294 0.0000 O 0 0 0
- -4.2682 0.4005 0.0000 C 0 0 0
- -1.8470 0.5431 0.0000 C 0 0 0
- -5.5125 -0.3813 0.0000 C 0 0 0
- -4.3137 1.6150 0.0000 O 0 0 0
- -0.6477 -0.4070 0.0000 C 0 0 0
- -5.4562 -1.8872 0.0000 C 0 0 0
- -6.6891 0.2406 0.0000 C 0 0 0
- 0.6477 0.4070 0.0000 C 0 0 0
- 1.8470 -0.5431 0.0000 C 0 0 0
- 3.0765 0.2294 0.0000 O 0 0 0
- 4.2682 -0.4005 0.0000 C 0 0 0
- 5.5125 0.3813 0.0000 C 0 0 0
- 4.3137 -1.6150 0.0000 O 0 0 0
- 5.4562 1.8872 0.0000 C 0 0 0
- 6.6891 -0.2406 0.0000 C 0 0 0
- -1.0786 1.3148 0.0000 H 0 0 0
- -2.5269 1.3938 0.0000 H 0 0 0
- -1.4161 -1.1787 0.0000 H 0 0 0
- 0.0322 -1.2577 0.0000 H 0 0 0
- -6.5445 -1.9279 0.0000 H 0 0 0
- -5.4155 -2.9755 0.0000 H 0 0 0
- -4.3679 -1.8465 0.0000 H 0 0 0
- -6.7298 1.3289 0.0000 H 0 0 0
- -7.6112 -0.3388 0.0000 H 0 0 0
- 1.4161 1.1787 0.0000 H 0 0 0
- -0.0322 1.2577 0.0000 H 0 0 0
- 1.0786 -1.3148 0.0000 H 0 0 0
- 2.5269 -1.3938 0.0000 H 0 0 0
- 6.5445 1.9279 0.0000 H 0 0 0
- 5.4155 2.9755 0.0000 H 0 0 0
- 4.3679 1.8465 0.0000 H 0 0 0
- 6.7298 -1.3289 0.0000 H 0 0 0
- 7.6112 0.3388 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 13 16 2 0
- 3 17 1 0
- 3 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-535-80-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.9870 0.1732 -0.0034 C 0 0 0
- -0.2013 -0.5593 -0.0030 C 0 0 0
- 0.9398 1.5689 -0.0010 C 0 0 0
- 2.2889 -0.5250 -0.0001 C 0 0 0
- -1.4146 0.0999 -0.0003 C 0 0 0
- -0.2787 2.2151 0.0017 C 0 0 0
- 3.4339 0.1848 -0.0004 O 0 0 0
- 2.3270 -1.7391 0.0029 O 0 0 0
- -1.4535 1.4839 0.0025 C 0 0 0
- -2.8941 -0.8083 0.0001 Cl 0 0 0
- -0.1729 -1.5970 0.0000 H 0 0 0
- 1.8202 2.1190 0.0000 H 0 0 0
- -0.3146 3.2526 0.0000 H 0 0 0
- 4.3162 0.7318 0.0000 H 0 0 0
- -2.3680 1.9752 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-565-64-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.2357 0.1393 -0.4174 C 0 0 0
- -1.6482 0.5388 -0.0763 C 0 0 0
- 0.7434 0.9528 0.4315 C 0 0 0
- -0.0094 -1.6170 -0.0785 Cl 0 0 0
- -2.5077 -0.3755 0.4002 O 0 0 0
- -2.0070 1.6820 -0.2319 O 0 0 0
- 2.4334 0.4748 0.0235 Cl 0 0 0
- -0.4488 1.1448 0.0000 H 0 0 0
- 1.2146 1.8662 0.0000 H 0 0 0
- -0.0578 1.5966 0.0000 H 0 0 0
- -3.2117 -1.1244 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-641-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.9919 1.0312 -0.0037 C 0 0 0
- -1.0868 -0.3751 -0.0022 C 0 0 0
- 0.3321 1.6803 -0.0031 C 0 0 0
- -2.1513 1.8031 0.0001 C 0 0 0
- 0.1365 -1.1988 -0.0005 C 0 0 0
- -2.3427 -0.9820 -0.0018 C 0 0 0
- 1.5572 0.8531 -0.0009 C 0 0 0
- 0.4159 2.8930 -0.0040 O 0 0 0
- -3.3920 1.1924 0.0053 C 0 0 0
- 1.4586 -0.5519 -0.0005 C 0 0 0
- 0.0529 -2.4123 0.0011 O 0 0 0
- -3.4955 -0.1890 -0.0029 C 0 0 0
- -2.4460 -2.3345 0.0001 O 0 0 0
- 2.8082 1.4563 -0.0002 C 0 0 0
- -4.6408 2.0359 0.0098 C 0 0 0
- 2.6234 -1.3290 0.0004 C 0 0 0
- -4.7198 -0.7755 -0.0030 O 0 0 0
- 3.9592 0.6726 0.0020 C 0 0 0
- 3.8664 -0.7101 -0.0002 C 0 0 0
- 2.5378 -2.6823 0.0023 O 0 0 0
- 5.1796 1.2666 0.0022 O 0 0 0
- -2.0835 2.8453 0.0000 H 0 0 0
- -2.5255 -3.3758 0.0000 H 0 0 0
- 2.8857 2.4978 0.0000 H 0 0 0
- -4.0562 2.9013 0.0000 H 0 0 0
- -5.5062 2.6205 0.0000 H 0 0 0
- -5.2254 1.1705 0.0000 H 0 0 0
- -5.6617 -1.2267 0.0000 H 0 0 0
- 4.7354 -1.2893 0.0000 H 0 0 0
- 2.4719 -3.7246 0.0000 H 0 0 0
- 6.1186 1.7237 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 14 18 2 0
- 16 19 2 0
- 16 20 1 0
- 18 21 1 0
- 7 10 2 0
- 9 12 1 0
- 18 19 1 0
- 4 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-96-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.8754 0.3064 -0.0019 C 0 0 0
- 0.4185 0.5253 -0.0019 C 0 0 0
- 2.7483 1.3987 -0.0019 C 0 0 0
- 2.3886 -0.9938 0.0040 C 0 0 0
- -0.4185 -0.5253 -0.0019 C 0 0 0
- 4.1097 1.1900 -0.0014 C 0 0 0
- 3.7516 -1.1944 0.0044 C 0 0 0
- -1.8754 -0.3064 -0.0019 C 0 0 0
- 4.6165 -0.1054 -0.0009 C 0 0 0
- -2.7483 -1.3987 -0.0018 C 0 0 0
- -2.3886 0.9938 0.0040 C 0 0 0
- 5.9964 -0.3128 -0.0004 N 0 0 0
- -4.1097 -1.1900 -0.0014 C 0 0 0
- -3.7516 1.1944 0.0044 C 0 0 0
- -4.6165 0.1054 -0.0009 C 0 0 0
- -5.9964 0.3128 -0.0004 N 0 0 0
- 0.0369 1.4963 0.0000 H 0 0 0
- 2.3689 2.3705 0.0000 H 0 0 0
- 1.7403 -1.8112 0.0000 H 0 0 0
- -0.0369 -1.4963 0.0000 H 0 0 0
- 4.7616 2.0045 0.0000 H 0 0 0
- 4.1354 -2.1645 0.0000 H 0 0 0
- -2.3689 -2.3705 0.0000 H 0 0 0
- -1.7403 1.8112 0.0000 H 0 0 0
- 6.3779 -1.2838 0.0000 H 0 0 0
- 6.6465 0.5031 0.0000 H 0 0 0
- -4.7616 -2.0045 0.0000 H 0 0 0
- -4.1354 2.1645 0.0000 H 0 0 0
- -6.3779 1.2838 0.0000 H 0 0 0
- -6.6465 -0.5031 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 7 9 2 0
- 14 15 2 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1709-52-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.6004 0.2837 -0.2528 S 0 0 0
- -0.1520 0.1451 -0.1315 C 0 0 0
- 2.2447 -0.3564 1.1319 N 0 0 0
- 1.9856 -0.5957 -1.3004 O 0 0 0
- 1.8820 1.6756 -0.2021 O 0 0 0
- -0.8706 1.0867 0.5817 C 0 0 0
- -0.8060 -0.9022 -0.7546 C 0 0 0
- 2.1204 -1.7908 1.4026 C 0 0 0
- -2.2444 0.9810 0.6788 C 0 0 0
- -2.1791 -1.0139 -0.6615 C 0 0 0
- -2.9038 -0.0727 0.0591 C 0 0 0
- -4.2928 -0.1828 0.1556 N 0 0 0
- 3.1675 -0.0184 0.0000 H 0 0 0
- -0.4689 1.9836 0.0000 H 0 0 0
- -0.2950 -1.7416 0.0000 H 0 0 0
- 1.1413 -1.7060 0.0000 H 0 0 0
- 2.0356 -2.7699 0.0000 H 0 0 0
- 3.0995 -1.8756 0.0000 H 0 0 0
- -2.7532 1.8218 0.0000 H 0 0 0
- -2.5769 -1.9125 0.0000 H 0 0 0
- -4.8499 0.6268 0.0000 H 0 0 0
- -4.7154 -1.0700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 7 10 2 0
- 9 11 2 0
- 11 12 1 0
- 10 11 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55256-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- 2.7731 -0.2378 -0.1242 C 0 0 0
- 1.5734 -0.8560 0.1619 C 0 0 0
- 2.8472 1.1476 -0.2326 C 0 0 0
- 4.1596 -0.7878 -0.3842 C 0 0 1
- 0.4201 -0.0797 0.3212 C 0 0 0
- 1.5122 -2.2055 0.2874 O 0 0 0
- 1.7001 1.9149 -0.0545 C 0 0 0
- 4.1196 1.5497 -0.4979 O 0 0 0
- 4.8808 0.4463 -1.0117 C 0 0 1
- 4.8902 -0.9248 0.9384 C 0 0 0
- 0.4754 1.3211 0.2385 C 0 0 0
- -0.8937 -0.7113 0.5545 C 0 0 0
- 1.3642 -2.7366 -1.0309 C 0 0 0
- 6.1492 0.4124 -0.3297 O 0 0 0
- 5.9890 -0.2067 0.8610 C 0 0 0
- -0.5823 2.1134 0.4471 O 0 0 0
- -2.0415 0.1937 0.3256 C 0 0 0
- -1.0211 -1.8713 0.9031 O 0 0 0
- -1.7919 1.5723 0.2680 C 0 0 0
- -3.3334 -0.3149 0.1672 C 0 0 0
- -2.8699 2.4229 0.0104 C 0 0 0
- -4.3835 0.5563 -0.0802 C 0 0 0
- -3.5586 -1.6503 0.2552 O 0 0 0
- -4.1396 1.9171 -0.1609 C 0 0 0
- -5.9948 -0.0555 -0.2878 Cl 0 0 0
- -3.5093 -2.1661 -1.0765 C 0 0 0
- 3.8757 -1.7696 0.0000 H 0 0 0
- 1.7706 2.9345 0.0000 H 0 0 0
- 5.3679 1.3448 0.0000 H 0 0 0
- 5.0900 -1.9271 0.0000 H 0 0 0
- 0.3796 -2.4622 0.0000 H 0 0 0
- 1.0898 -3.7212 0.0000 H 0 0 0
- 2.3488 -3.0110 0.0000 H 0 0 0
- 6.8193 -0.8027 0.0000 H 0 0 0
- -2.7228 3.4343 0.0000 H 0 0 0
- -4.9314 2.5634 0.0000 H 0 0 0
- -4.5267 -2.2633 0.0000 H 0 0 0
- -3.4121 -3.1835 0.0000 H 0 0 0
- -2.4919 -2.0689 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 1 0
- 12 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 2 0
- 20 23 1 0
- 21 24 2 0
- 22 25 1 0
- 23 26 1 0
- 7 11 2 0
- 8 9 1 0
- 14 15 1 0
- 17 19 2 0
- 22 24 1 0
- 4 27 1 0
- 7 28 1 0
- 9 29 1 0
- 10 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 15 34 1 0
- 21 35 1 0
- 24 36 1 0
- 26 37 1 0
- 26 38 1 0
- 26 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98033-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.2151 -0.5551 -0.0021 C 0 0 0
- -1.2482 0.4032 -0.0012 C 0 0 0
- 1.1947 -0.1672 -0.0011 C 0 0 0
- -0.5424 -1.9264 0.0019 C 0 0 0
- -2.5858 -0.0188 -0.0017 C 0 0 0
- -1.2821 1.8642 0.0009 C 0 0 0
- 2.1804 -1.1818 -0.0016 C 0 0 0
- 1.5826 1.1753 -0.0001 C 0 0 0
- -1.8945 -2.3161 0.0063 C 0 0 0
- 0.4875 -2.8946 0.0019 C 0 0 0
- -3.3688 1.1131 -0.0001 N 0 0 0
- -2.8845 -1.3851 -0.0036 C 0 0 0
- -2.5768 2.2267 0.0014 C 0 0 0
- 1.7891 -2.5395 -0.0026 C 0 0 0
- 3.5366 -0.8235 -0.0006 C 0 0 0
- 2.9245 1.4959 0.0004 C 0 0 0
- -4.8337 1.1227 -0.0005 C 0 0 0
- 3.8933 0.4912 0.0009 C 0 0 0
- 3.3060 2.8001 0.0010 O 0 0 0
- -0.4526 2.5087 0.0000 H 0 0 0
- 0.8574 1.9352 0.0000 H 0 0 0
- -2.1412 -3.3372 0.0000 H 0 0 0
- 0.2336 -3.9139 0.0000 H 0 0 0
- -3.8879 -1.6960 0.0000 H 0 0 0
- -2.9269 3.2171 0.0000 H 0 0 0
- 2.5266 -3.2875 0.0000 H 0 0 0
- 4.2769 -1.5687 0.0000 H 0 0 0
- -4.8268 2.1731 0.0000 H 0 0 0
- -5.8841 1.1296 0.0000 H 0 0 0
- -4.8406 0.0723 0.0000 H 0 0 0
- 4.9108 0.7522 0.0000 H 0 0 0
- 3.6009 3.8083 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 15 18 2 0
- 16 19 1 0
- 9 12 2 0
- 10 14 2 0
- 11 13 1 0
- 16 18 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10087-89-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- -1.2817 -0.2281 -0.4031 C 0 0 0
- -2.5033 -1.0212 -0.0162 C 0 0 0
- -1.4725 1.2134 -0.0070 C 0 0 0
- -0.1186 -0.7675 0.2785 O 0 0 0
- -1.0813 -0.3145 -1.8588 C 0 0 0
- -2.3720 -2.1597 0.7564 C 0 0 0
- -3.7560 -0.6069 -0.4294 C 0 0 0
- -1.7032 2.1716 -0.9759 C 0 0 0
- -1.4223 1.5764 1.3261 C 0 0 0
- 1.1006 -0.2462 0.0446 C 0 0 0
- -0.9215 -0.3835 -3.0198 C 0 0 0
- -3.4927 -2.8874 1.1113 C 0 0 0
- -4.8763 -1.3344 -0.0746 C 0 0 0
- -1.8781 3.4940 -0.6125 C 0 0 0
- -1.5972 2.8984 1.6894 C 0 0 0
- 2.1953 -0.8298 0.5712 N 0 0 0
- 1.2138 0.7504 -0.6413 O 0 0 0
- -4.7444 -2.4764 0.6935 C 0 0 0
- -1.8223 3.8578 0.7197 C 0 0 0
- 3.5219 -0.2626 0.3168 C 0 0 0
- 4.4389 -0.5569 1.5056 C 0 0 0
- 4.1104 -0.8896 -0.9487 C 0 0 0
- 5.8244 0.0354 1.2398 C 0 0 0
- 5.4958 -0.2973 -1.2145 C 0 0 0
- 6.4129 -0.5915 -0.0257 C 0 0 0
- -1.5302 -2.5560 0.0000 H 0 0 0
- -3.8750 0.3159 0.0000 H 0 0 0
- -2.6179 2.0015 0.0000 H 0 0 0
- -0.4919 1.5737 0.0000 H 0 0 0
- -0.0673 -0.7523 0.0000 H 0 0 0
- -3.3727 -3.8100 0.0000 H 0 0 0
- -5.7181 -0.9382 0.0000 H 0 0 0
- -2.8085 3.5036 0.0000 H 0 0 0
- -0.6820 3.0659 0.0000 H 0 0 0
- 2.1554 -1.7594 0.0000 H 0 0 0
- -5.4654 -3.0645 0.0000 H 0 0 0
- -1.8587 4.7875 0.0000 H 0 0 0
- 3.4784 0.6668 0.0000 H 0 0 0
- 3.9166 -1.3269 0.0000 H 0 0 0
- 5.0307 -1.2748 0.0000 H 0 0 0
- 3.3625 -1.4431 0.0000 H 0 0 0
- 4.5732 -1.6968 0.0000 H 0 0 0
- 6.5722 0.5889 0.0000 H 0 0 0
- 5.3616 0.8426 0.0000 H 0 0 0
- 6.0180 0.4728 0.0000 H 0 0 0
- 4.9039 0.4206 0.0000 H 0 0 0
- 6.4541 -1.5210 0.0000 H 0 0 0
- 7.2702 -0.2300 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 3 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 2 0
- 10 16 1 0
- 10 17 2 0
- 12 18 2 0
- 14 19 2 0
- 16 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 13 18 1 0
- 15 19 1 0
- 24 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 24 45 1 0
- 24 46 1 0
- 25 47 1 0
- 25 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-145-49-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.2367 0.7648 0.0527 C 0 0 0
- -1.3034 -0.6446 0.0520 C 0 0 0
- 0.0669 1.4337 0.2055 C 0 0 0
- -2.4079 1.5128 -0.0974 C 0 0 0
- -0.0670 -1.4340 0.2040 C 0 0 0
- -2.5378 -1.2780 -0.0929 C 0 0 0
- 1.3030 0.6443 0.0509 C 0 0 0
- 0.1231 2.6231 0.4558 O 0 0 0
- -3.6329 0.8589 -0.2468 C 0 0 0
- -2.3537 2.8994 -0.0976 N 0 0 0
- 1.2364 -0.7647 0.0504 C 0 0 0
- -0.1228 -2.6236 0.4535 O 0 0 0
- -3.6966 -0.5155 -0.2365 C 0 0 0
- -2.6108 -2.6324 -0.0946 O 0 0 0
- 2.5375 1.2781 -0.0949 C 0 0 0
- 2.4084 -1.5127 -0.0962 C 0 0 0
- 3.6959 0.5161 -0.2399 C 0 0 0
- 2.6104 2.6326 -0.0951 O 0 0 0
- 3.6336 -0.8588 -0.2408 C 0 0 0
- 2.3543 -2.8993 -0.0984 N 0 0 0
- -4.5128 1.4147 0.0000 H 0 0 0
- -1.4327 3.3842 0.0000 H 0 0 0
- -3.2340 3.4546 0.0000 H 0 0 0
- -4.6239 -0.9880 0.0000 H 0 0 0
- -2.6668 -3.6716 0.0000 H 0 0 0
- 4.6229 0.9891 0.0000 H 0 0 0
- 2.6663 3.6719 0.0000 H 0 0 0
- 4.5138 -1.4142 0.0000 H 0 0 0
- 1.4334 -3.3841 0.0000 H 0 0 0
- 3.2346 -3.4544 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 7 11 2 0
- 9 13 2 0
- 17 19 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 13 24 1 0
- 14 25 1 0
- 17 26 1 0
- 18 27 1 0
- 19 28 1 0
- 20 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 1.1786 0.0001 -0.2959 C 0 0 0
- 0.0000 0.0001 0.5811 N 0 0 0
- 2.0182 1.2494 -0.0217 C 0 0 0
- 2.0184 -1.2491 -0.0215 C 0 0 0
- -1.1786 -0.0002 -0.2958 C 0 0 0
- -2.0182 -1.2494 -0.0213 C 0 0 0
- -2.0184 1.2491 -0.0217 C 0 0 0
- 0.6479 -0.9962 0.0000 H 0 0 0
- -0.0001 1.1290 0.0000 H 0 0 0
- 2.9551 0.6197 0.0000 H 0 0 0
- 2.6479 2.1863 0.0000 H 0 0 0
- 1.0813 1.8791 0.0000 H 0 0 0
- 1.0815 -1.8789 0.0000 H 0 0 0
- 2.6482 -2.1860 0.0000 H 0 0 0
- 2.9553 -0.6193 0.0000 H 0 0 0
- -0.6477 -0.9964 0.0000 H 0 0 0
- -2.9551 -0.6197 0.0000 H 0 0 0
- -2.6479 -2.1863 0.0000 H 0 0 0
- -1.0813 -1.8791 0.0000 H 0 0 0
- -1.0815 1.8789 0.0000 H 0 0 0
- -2.6482 2.1860 0.0000 H 0 0 0
- -2.9553 0.6193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4901-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.5014 0.6220 0.0017 C 0 0 0
- -1.3827 -0.4442 0.0008 C 0 0 0
- 0.8641 0.3920 0.0010 C 0 0 0
- -1.1074 2.2487 -0.0035 Cl 0 0 0
- -0.8972 -1.7448 -0.0009 C 0 0 0
- -3.0947 -0.1561 0.0023 Cl 0 0 0
- 1.3491 -0.9045 -0.0002 C 0 0 0
- 1.9689 1.7311 0.0022 Cl 0 0 0
- 0.4705 -1.9726 -0.0017 C 0 0 0
- -1.7618 -2.7938 -0.0014 O 0 0 0
- 3.0615 -1.1900 -0.0006 Cl 0 0 0
- 0.8356 -2.9463 0.0000 H 0 0 0
- -2.4232 -3.5963 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 9 1 0
- 9 12 1 0
- 10 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-590-17-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- -1.9154 -0.1708 0.0000 C 0 0 0
- -0.7196 -1.0293 0.0000 C 0 0 0
- -2.8381 0.4917 0.0000 N 0 0 0
- 0.8937 0.0942 0.0000 Br 0 0 0
- -1.4607 -1.8476 0.0000 H 0 0 0
- 0.0097 -1.8582 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 3 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1951-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -0.9417 0.0421 -0.0266 C 0 0 0
- -2.1030 -0.6433 -0.0769 O 0 0 0
- -1.2475 1.3799 0.1140 C 0 0 0
- 0.3588 -0.5135 -0.0988 C 0 0 0
- -3.1301 0.2114 0.0265 C 0 0 0
- -2.6475 1.4682 0.1459 C 0 0 0
- 1.4460 0.2949 -0.0355 C 0 0 0
- -4.5628 -0.1611 0.0115 N 0 3 0
- 2.7461 -0.2605 -0.1077 C 0 0 0
- -5.4173 0.7010 0.1129 O 0 0 0
- -4.8871 -1.3296 -0.1022 O 0 5 0
- 3.8264 0.5428 -0.0447 N 0 0 0
- 2.8883 -1.4640 -0.2268 O 0 0 0
- 5.1719 -0.0319 -0.1195 C 0 0 0
- 6.1241 0.9805 -0.7591 C 0 0 0
- 5.6604 -0.3716 1.2900 C 0 0 0
- -0.5909 2.1523 0.0000 H 0 0 0
- 0.4780 -1.5202 0.0000 H 0 0 0
- -3.1950 2.3213 0.0000 H 0 0 0
- 1.3268 1.3016 0.0000 H 0 0 0
- 3.7072 1.5495 0.0000 H 0 0 0
- 4.6809 -0.9188 0.0000 H 0 0 0
- 6.8625 0.2860 0.0000 H 0 0 0
- 6.8186 1.7189 0.0000 H 0 0 0
- 5.3857 1.6750 0.0000 H 0 0 0
- 5.0816 -1.2039 0.0000 H 0 0 0
- 6.4927 -0.9504 0.0000 H 0 0 0
- 6.2392 0.4607 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 5 6 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 12 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57491-68-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.7328 0.0432 -0.0017 C 0 0 0
- -4.0799 0.4083 -0.0013 C 0 0 0
- -1.4811 1.2833 0.0003 S 0 0 0
- -2.3824 -1.2987 0.0022 C 0 0 0
- -5.0594 -0.5724 -0.0024 C 0 0 0
- -4.4407 1.7610 0.0006 N 0 0 0
- 0.0000 0.2360 -0.0011 C 0 0 0
- -3.3666 -2.2702 0.0063 C 0 0 0
- -4.7007 -1.9083 -0.0039 C 0 0 0
- 1.4811 1.2833 0.0007 S 0 0 0
- 2.7328 0.0432 -0.0010 C 0 0 0
- 4.0799 0.4083 -0.0003 C 0 0 0
- 2.3824 -1.2987 0.0027 C 0 0 0
- 5.0594 -0.5724 -0.0017 C 0 0 0
- 4.4407 1.7610 0.0013 N 0 0 0
- 3.3666 -2.2702 0.0013 C 0 0 0
- 4.7007 -1.9083 -0.0038 C 0 0 0
- -1.3794 -1.5744 0.0000 H 0 0 0
- -6.0643 -0.3038 0.0000 H 0 0 0
- -3.7043 2.4957 0.0000 H 0 0 0
- -5.4451 2.0314 0.0000 H 0 0 0
- -0.6927 -0.5400 0.0000 H 0 0 0
- 0.6927 -0.5400 0.0000 H 0 0 0
- -3.1022 -3.2762 0.0000 H 0 0 0
- -5.4372 -2.6429 0.0000 H 0 0 0
- 1.3794 -1.5744 0.0000 H 0 0 0
- 6.0643 -0.3038 0.0000 H 0 0 0
- 5.4451 2.0314 0.0000 H 0 0 0
- 3.7043 2.4957 0.0000 H 0 0 0
- 3.1022 -3.2762 0.0000 H 0 0 0
- 5.4372 -2.6429 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 8 9 2 0
- 16 17 2 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2832-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -0.1458 0.2134 -0.1636 C 0 0 0
- -1.3299 0.8566 -0.1867 N 0 0 0
- 1.1141 0.9663 0.1782 C 0 0 0
- -0.0948 -0.9724 -0.4129 O 0 0 0
- -2.5547 0.1247 -0.5190 C 0 0 0
- 2.5206 -0.1606 0.1257 Cl 0 0 0
- -3.1347 -0.4009 0.6766 O 0 0 0
- -1.3512 1.8968 0.0000 H 0 0 0
- 1.8563 1.6953 0.0000 H 0 0 0
- 0.4783 1.7898 0.0000 H 0 0 0
- -2.6388 1.1617 0.0000 H 0 0 0
- -3.5221 0.5075 0.0000 H 0 0 0
- -3.9056 -1.0995 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-69839-83-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.4610 0.0245 0.0040 C 0 0 0
- 0.4781 -1.0101 0.0034 C 0 0 0
- -0.0313 1.3538 0.0022 C 0 0 0
- -1.9039 -0.2864 0.0005 C 0 0 0
- 1.8274 -0.7140 0.0009 C 0 0 0
- 1.3161 1.6424 -0.0003 C 0 0 0
- -2.8085 0.7127 0.0011 N 0 0 0
- -2.2765 -1.4437 -0.0029 O 0 0 0
- 2.2493 0.6146 -0.0009 C 0 0 0
- 2.7441 -1.7187 -0.0002 O 0 0 0
- -4.1928 0.4145 -0.0022 O 0 0 0
- 3.5761 0.9041 -0.0029 O 0 0 0
- 0.1624 -1.9996 0.0000 H 0 0 0
- -0.7275 2.1246 0.0000 H 0 0 0
- 1.6342 2.6311 0.0000 H 0 0 0
- -2.4903 1.7014 0.0000 H 0 0 0
- 3.4441 -2.4859 0.0000 H 0 0 0
- -5.2081 0.1958 0.0000 H 0 0 0
- 4.5908 1.1255 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 6 9 1 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2871-01-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.0263 0.5393 -0.0963 C 0 0 0
- 0.8085 -0.5692 -0.0513 C 0 0 0
- 0.5146 1.8179 -0.0573 C 0 0 0
- -1.4128 0.3682 -0.1867 N 0 0 0
- 2.1767 -0.4004 0.0321 C 0 0 0
- 0.2321 -1.9318 -0.0933 N 0 3 0
- 1.8824 1.9866 0.0261 C 0 0 0
- -2.2936 1.5379 -0.2341 C 0 0 0
- 2.7174 0.8778 0.0710 C 0 0 0
- 0.6648 -2.7990 0.6444 O 0 0 0
- -0.6749 -2.1859 -0.8655 O 0 5 0
- -3.7492 1.0766 -0.3313 C 0 0 0
- 4.1043 1.0489 0.1560 N 0 0 0
- -4.0741 0.2816 0.8109 O 0 0 0
- -0.1126 2.6487 0.0000 H 0 0 0
- -1.8194 -0.5901 0.0000 H 0 0 0
- 2.8039 -1.2312 0.0000 H 0 0 0
- 2.2890 2.9449 0.0000 H 0 0 0
- -1.3968 2.0665 0.0000 H 0 0 0
- -2.7178 2.4885 0.0000 H 0 0 0
- -3.8275 2.1146 0.0000 H 0 0 0
- -4.7775 1.2387 0.0000 H 0 0 0
- 4.7312 0.2179 0.0000 H 0 0 0
- 4.5105 2.0073 0.0000 H 0 0 0
- -4.4679 -0.6820 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 7 9 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-80-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 53 1 V2000
- 1.2905 -1.5114 0.3558 C 0 0 0
- 0.4332 -2.6998 -0.0840 C 0 0 0
- 2.7061 -1.6692 -0.2029 C 0 0 0
- -0.9611 -2.5443 0.4664 C 0 0 0
- 3.5634 -0.4808 0.2369 C 0 0 0
- -1.9834 -2.4744 -0.3497 C 0 0 0
- 4.9790 -0.6387 -0.3219 C 0 0 0
- -3.3776 -2.3189 0.2007 C 0 0 0
- 5.8363 0.5498 0.1179 C 0 0 0
- -3.9933 -1.0222 -0.3289 C 0 0 0
- 7.2519 0.3919 -0.4409 C 0 0 0
- -5.4088 -0.8643 0.2299 C 0 0 0
- 8.0963 1.5625 -0.0077 C 0 0 0
- -6.0245 0.4324 -0.2997 C 0 0 0
- 9.3829 1.6374 -0.3832 O 0 0 0
- 7.6154 2.4336 0.6776 O 0 0 0
- -7.4400 0.5903 0.2591 C 0 0 0
- -8.0556 1.8870 -0.2705 C 0 0 0
- -9.4712 2.0449 0.2883 C 0 0 0
- -10.0868 3.3416 -0.2412 C 0 0 0
- 1.5881 -0.4854 0.0000 H 0 0 0
- 0.3303 -1.0432 0.0000 H 0 0 0
- 0.1356 -3.7258 0.0000 H 0 0 0
- 1.3934 -3.1680 0.0000 H 0 0 0
- 2.4085 -2.6952 0.0000 H 0 0 0
- 3.6663 -2.1374 0.0000 H 0 0 0
- -0.8654 -1.4803 0.0000 H 0 0 0
- 3.8611 0.5452 0.0000 H 0 0 0
- 2.6032 -0.0126 0.0000 H 0 0 0
- -2.0791 -3.5384 0.0000 H 0 0 0
- 4.6814 -1.6647 0.0000 H 0 0 0
- 5.9392 -1.1069 0.0000 H 0 0 0
- -4.4104 -2.5920 0.0000 H 0 0 0
- -3.2989 -3.3843 0.0000 H 0 0 0
- 6.1339 1.5758 0.0000 H 0 0 0
- 4.8761 1.0180 0.0000 H 0 0 0
- -2.9605 -0.7491 0.0000 H 0 0 0
- -4.0720 0.0432 0.0000 H 0 0 0
- 6.9543 -0.6341 0.0000 H 0 0 0
- 8.2121 -0.0763 0.0000 H 0 0 0
- -6.4416 -1.1374 0.0000 H 0 0 0
- -5.3301 -1.9297 0.0000 H 0 0 0
- -4.9917 0.7055 0.0000 H 0 0 0
- -6.1032 1.4978 0.0000 H 0 0 0
- 10.4494 1.6995 0.0000 H 0 0 0
- -8.4728 0.3173 0.0000 H 0 0 0
- -7.3614 -0.4751 0.0000 H 0 0 0
- -7.0228 2.1600 0.0000 H 0 0 0
- -8.1343 2.9524 0.0000 H 0 0 0
- -10.5040 1.7719 0.0000 H 0 0 0
- -9.3925 0.9795 0.0000 H 0 0 0
- -9.1217 3.7998 0.0000 H 0 0 0
- -10.5450 4.3067 0.0000 H 0 0 0
- -11.0519 2.8834 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 1 21 1 0
- 1 22 1 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 11 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 17 46 1 0
- 17 47 1 0
- 18 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
- 20 53 1 0
- 20 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2451-62-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.0027 -1.1580 0.4741 N 0 0 0
- -1.1161 -0.5652 -0.0008 C 0 0 0
- 1.1151 -0.4316 0.6725 C 0 0 0
- -0.0093 -2.5906 0.7802 C 0 0 0
- -1.1117 0.7539 -0.2771 N 0 0 0
- -2.1238 -1.2202 -0.1801 O 0 0 0
- 1.1194 0.8875 0.3962 N 0 0 0
- 2.1190 -0.9661 1.1003 O 0 0 0
- 0.4092 -3.3795 -0.4621 C 0 0 0
- 0.0059 1.4804 -0.0782 C 0 0 0
- -2.3220 1.3982 -0.7933 C 0 0 0
- 2.3347 1.6769 0.6110 C 0 0 0
- 0.4024 -4.8757 -0.1424 C 0 0 0
- -0.6581 -4.2420 -0.8606 O 0 0 0
- 0.0096 2.6698 -0.3266 O 0 0 0
- -3.1675 1.9065 0.3761 C 0 0 0
- 3.1809 1.6676 -0.6637 C 0 0 0
- -4.4314 2.5794 -0.1629 C 0 0 0
- -4.4376 1.2518 0.3656 O 0 0 0
- 4.4501 2.4920 -0.4394 C 0 0 0
- 4.4469 1.0638 -0.3906 O 0 0 0
- -0.9416 -2.2353 0.0000 H 0 0 0
- -0.6699 -3.3383 0.0000 H 0 0 0
- 1.3779 -3.1408 0.0000 H 0 0 0
- -3.1862 0.8996 0.0000 H 0 0 0
- -2.3050 0.4006 0.0000 H 0 0 0
- 2.6664 2.6179 0.0000 H 0 0 0
- 1.5507 2.2940 0.0000 H 0 0 0
- 0.0504 -5.8093 0.0000 H 0 0 0
- 1.3835 -5.0568 0.0000 H 0 0 0
- -2.6759 2.7747 0.0000 H 0 0 0
- 2.9554 0.6957 0.0000 H 0 0 0
- -4.1103 3.5240 0.0000 H 0 0 0
- -5.4154 2.7444 0.0000 H 0 0 0
- 5.4298 2.6809 0.0000 H 0 0 0
- 4.0770 3.4173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 1 0
- 16 18 1 0
- 16 19 1 0
- 17 20 1 0
- 17 21 1 0
- 7 10 1 0
- 13 14 1 0
- 18 19 1 0
- 20 21 1 0
- 4 22 1 0
- 4 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88-53-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -2.1868 -0.4300 0.0003 S 0 0 0
- -2.7329 -0.0442 -1.2536 O 0 0 0
- -2.7178 -0.0806 1.2712 O 0 0 0
- -2.1343 -1.9509 -0.0220 O 0 0 0
- -0.5246 0.1546 -0.0012 C 0 0 0
- -0.2679 1.5194 0.0020 C 0 0 0
- 0.5243 -0.7442 0.0003 C 0 0 0
- -1.3270 2.4309 0.0068 N 0 0 0
- 1.0439 1.9768 0.0008 C 0 0 0
- 1.8297 -0.2858 -0.0009 C 0 0 0
- 2.0885 1.0738 -0.0035 C 0 0 0
- 3.1456 -1.4182 0.0015 Cl 0 0 0
- 3.5118 1.5692 -0.0048 C 0 0 0
- -2.0984 -2.9918 0.0000 H 0 0 0
- 0.3323 -1.7679 0.0000 H 0 0 0
- -1.1333 3.4543 0.0000 H 0 0 0
- -2.3101 2.0869 0.0000 H 0 0 0
- 1.2392 2.9999 0.0000 H 0 0 0
- 3.8542 0.5855 0.0000 H 0 0 0
- 4.4955 1.9116 0.0000 H 0 0 0
- 3.1694 2.5529 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 12 10 1 0
- 13 11 1 0
- 10 11 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-513-31-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.4856 0.3002 0.0033 C 0 0 0
- 0.5274 -0.8156 0.0042 C 0 0 0
- -0.0855 1.5489 -0.0002 C 0 0 0
- -2.3336 -0.1006 -0.0006 Br 0 0 0
- 2.3402 -0.0548 -0.0005 Br 0 0 0
- -0.5068 -1.5600 0.0000 H 0 0 0
- 1.1502 -1.9273 0.0000 H 0 0 0
- 1.1598 1.8189 0.0000 H 0 0 0
- -0.9420 2.4924 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33229-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 39 1 V2000
- -1.4739 -0.2395 -0.1899 C 0 0 0
- -2.8712 -0.2311 -0.1039 N 0 0 0
- -0.7294 0.7014 0.5096 C 0 0 0
- -0.8321 -1.1919 -0.9700 C 0 0 0
- -3.6733 0.1982 -1.2522 C 0 0 0
- -3.5313 -0.6516 1.1345 C 0 0 0
- 0.6487 0.6932 0.4247 C 0 0 0
- 0.5464 -1.2002 -1.0549 C 0 0 0
- -3.6972 1.7267 -1.3146 C 0 0 0
- -3.6419 -2.1774 1.1608 C 0 0 0
- 1.2903 -0.2557 -0.3606 C 0 0 0
- 1.4420 1.6959 1.1702 N 0 3 0
- -2.4430 2.2030 -1.8065 O 0 0 0
- -2.3598 -2.7431 1.4405 O 0 0 0
- 2.6876 -0.2638 -0.4471 N 0 0 0
- 1.1318 1.9929 2.3099 O 0 0 0
- 2.4051 2.2240 0.6439 O 0 5 0
- 3.3645 -1.2647 -1.2754 C 0 0 0
- 4.8778 -1.0537 -1.1957 C 0 0 0
- 5.3068 -1.1889 0.1607 O 0 0 0
- -1.1331 1.5421 0.0000 H 0 0 0
- -1.2726 -2.0139 0.0000 H 0 0 0
- -4.5949 0.3407 0.0000 H 0 0 0
- -3.9688 -0.6863 0.0000 H 0 0 0
- -3.8546 0.2231 0.0000 H 0 0 0
- -4.4546 -0.7825 0.0000 H 0 0 0
- 0.9510 -2.0404 0.0000 H 0 0 0
- -3.9254 2.6309 0.0000 H 0 0 0
- -4.6217 1.6045 0.0000 H 0 0 0
- -4.5583 -2.0043 0.0000 H 0 0 0
- -3.9185 -3.0680 0.0000 H 0 0 0
- -1.5712 2.5341 0.0000 H 0 0 0
- -1.5066 -3.1196 0.0000 H 0 0 0
- 3.1273 0.5586 0.0000 H 0 0 0
- 2.5218 -1.6641 0.0000 H 0 0 0
- 3.6317 -2.1582 0.0000 H 0 0 0
- 5.4649 -0.3291 0.0000 H 0 0 0
- 4.4191 -0.2417 0.0000 H 0 0 0
- 6.1963 -1.4692 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 15 18 1 0
- 18 19 1 0
- 19 20 1 0
- 8 11 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65267-04-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.6325 -0.5358 -0.3542 N 0 0 0
- -0.3648 0.3707 -0.3643 C 0 0 0
- 2.0064 -0.1166 -0.6421 C 0 0 0
- 0.3781 -1.7717 -0.0858 N 0 0 0
- -1.6288 -0.0150 -0.0994 N 0 0 0
- -0.1244 1.5355 -0.6121 O 0 0 0
- 2.7012 0.2833 0.6611 C 0 0 0
- 1.2793 -2.5909 -0.0766 O 0 0 0
- -2.7128 0.9704 -0.1104 C 0 0 0
- 4.3921 0.7992 0.3067 Cl 0 0 0
- -4.0161 0.2870 0.2145 C 0 0 0
- -5.1581 1.0012 0.2615 N 0 0 0
- -4.0373 -0.9056 0.4335 O 0 0 0
- 1.8548 -1.1057 0.0000 H 0 0 0
- 2.8321 -0.6819 0.0000 H 0 0 0
- -1.8480 -0.9914 0.0000 H 0 0 0
- 2.8528 1.2724 0.0000 H 0 0 0
- 1.8755 0.8486 0.0000 H 0 0 0
- -1.9581 1.6275 0.0000 H 0 0 0
- -3.2775 1.7965 0.0000 H 0 0 0
- -5.1228 2.0013 0.0000 H 0 0 0
- -6.0418 0.5317 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 2 0
- 7 3 1 0
- 8 4 2 0
- 9 5 1 0
- 10 7 1 0
- 11 9 1 0
- 12 11 1 0
- 13 11 2 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-02-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.5817 0.0001 -0.0011 C 0 0 0
- -2.0617 0.0000 -0.0006 N 0 3 0
- 0.1084 1.1980 0.0006 C 0 0 0
- 0.1086 -1.1982 0.0025 C 0 0 0
- -2.6707 -1.0548 -0.0021 O 0 0 0
- -2.6707 1.0548 0.0013 O 0 5 0
- 1.4900 1.2007 0.0006 C 0 0 0
- 1.4898 -1.2009 0.0025 C 0 0 0
- 2.1848 0.0001 -0.0011 C 0 0 0
- 3.5438 0.0001 -0.0016 O 0 0 0
- -0.4112 2.0949 0.0000 H 0 0 0
- -0.4110 -2.0951 0.0000 H 0 0 0
- 2.0069 2.0991 0.0000 H 0 0 0
- 2.0067 -2.0993 0.0000 H 0 0 0
- 4.5803 0.0001 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19770-52-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.0000 0.3388 0.0037 C 0 0 0
- -1.1463 1.1376 0.0007 C 0 0 0
- 1.1463 1.1376 0.0032 C 0 0 0
- 0.0000 -1.1088 0.0014 C 0 0 0
- -2.3877 0.4629 -0.0003 C 0 0 0
- -0.6836 2.4705 0.0000 C 0 0 0
- 2.3877 0.4629 0.0027 C 0 0 0
- 0.6837 2.4705 0.0018 C 0 0 0
- -1.2381 -1.7667 -0.0020 C 0 0 0
- 1.2381 -1.7667 0.0005 C 0 0 0
- -2.4150 -1.0047 0.0061 C 0 0 0
- -3.6002 1.1655 -0.0082 C 0 0 0
- 2.4149 -1.0048 0.0009 C 0 0 0
- 3.6002 1.1655 0.0042 C 0 0 0
- -3.6717 -1.6508 0.0072 C 0 0 0
- -4.7778 0.4816 -0.0083 C 0 0 0
- 3.6716 -1.6509 -0.0054 C 0 0 0
- 4.7779 0.4817 -0.0012 C 0 0 0
- -4.8105 -0.9108 0.0000 C 0 0 0
- 4.8105 -0.9108 -0.0070 C 0 0 0
- -1.2931 3.3273 0.0000 H 0 0 0
- 1.2933 3.3273 0.0000 H 0 0 0
- -1.2834 -2.8172 0.0000 H 0 0 0
- 1.2834 -2.8172 0.0000 H 0 0 0
- -3.6007 2.2170 0.0000 H 0 0 0
- 3.6007 2.2170 0.0000 H 0 0 0
- -3.7250 -2.7009 0.0000 H 0 0 0
- -5.6829 1.0168 0.0000 H 0 0 0
- 3.7249 -2.7010 0.0000 H 0 0 0
- 5.6830 1.0170 0.0000 H 0 0 0
- -5.7405 -1.4015 0.0000 H 0 0 0
- 5.7404 -1.4015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 15 19 2 0
- 17 20 2 0
- 6 8 2 0
- 9 11 2 0
- 10 13 2 0
- 16 19 1 0
- 18 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75607-61-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 42 1 V2000
- 0.7667 -0.5148 -0.1173 C 0 0 2
- -0.4063 0.0804 0.5277 N 0 0 0
- 0.9577 -1.9219 0.3874 C 0 0 0
- 2.0073 0.3179 0.2122 C 0 0 0
- -1.6232 -0.0468 -0.0375 C 0 0 0
- 1.9820 -2.6687 -0.0702 N 0 0 0
- 0.1895 -2.3822 1.2053 O 0 0 0
- 1.7775 2.0116 -0.3952 S 0 0 0
- -2.8298 0.5654 0.6260 C 0 0 0
- -1.7472 -0.6540 -1.0800 O 0 0 0
- 2.1676 -4.0366 0.4204 C 0 0 0
- 3.3539 2.7473 0.1188 C 0 0 0
- -4.0753 0.2771 -0.2146 C 0 0 0
- 3.3742 -4.6489 -0.2431 C 0 0 0
- 3.3905 4.2186 -0.2992 C 0 0 0
- -5.3003 0.8986 0.4590 C 0 0 1
- 3.7388 -5.9058 0.0553 O 0 0 0
- 4.0136 -4.0083 -1.0436 O 0 0 0
- 4.9574 4.9498 0.2117 Cl 0 0 0
- -6.5271 0.6146 -0.3689 C 0 0 0
- -5.4690 0.3198 1.7986 N 0 0 0
- -6.9005 1.4724 -1.3315 O 0 0 0
- -7.1745 -0.3852 -0.1663 O 0 0 0
- -0.0353 -1.0850 0.0000 H 0 0 0
- -0.2275 1.0481 0.0000 H 0 0 0
- 2.4256 -0.5728 0.0000 H 0 0 0
- 2.9511 0.5964 0.0000 H 0 0 0
- 2.8271 -2.1646 0.0000 H 0 0 0
- -2.1513 1.2781 0.0000 H 0 0 0
- -3.3177 1.4200 0.0000 H 0 0 0
- 1.1858 -3.9711 0.0000 H 0 0 0
- 1.9069 -4.9855 0.0000 H 0 0 0
- 3.6285 1.8024 0.0000 H 0 0 0
- 4.3298 2.8739 0.0000 H 0 0 0
- -4.7538 -0.4356 0.0000 H 0 0 0
- -3.5874 -0.5775 0.0000 H 0 0 0
- 3.1159 5.1635 0.0000 H 0 0 0
- 2.4146 4.0921 0.0000 H 0 0 0
- -5.1815 1.8754 0.0000 H 0 0 0
- 4.0129 -6.8509 0.0000 H 0 0 0
- -6.4248 0.0859 0.0000 H 0 0 0
- -4.7885 -0.3910 0.0000 H 0 0 0
- -7.2933 2.3747 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 1 0
- 16 21 1 0
- 20 22 1 0
- 20 23 2 0
- 1 24 1 0
- 2 25 1 0
- 4 26 1 0
- 4 27 1 0
- 6 28 1 0
- 9 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 17 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6724-53-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 68 1 V2000
- -5.7939 0.2300 -0.1853 C 0 0 0
- -7.0137 0.4529 -1.0817 C 0 0 0
- -5.6596 1.3987 0.7930 C 0 0 0
- -5.9677 -1.0730 0.5976 C 0 0 0
- -6.9258 1.8371 -1.7275 C 0 0 0
- -7.0466 -0.6183 -2.1737 C 0 0 0
- -6.7979 1.3426 1.8138 C 0 0 0
- -4.3170 1.3031 1.5204 C 0 0 0
- -4.6141 -1.7744 0.7273 C 0 0 0
- -8.1455 2.0600 -2.6239 C 0 0 0
- -8.2663 -0.3954 -3.0701 C 0 0 0
- -6.6636 2.5112 2.7921 C 0 0 0
- -4.1827 2.4717 2.4987 C 0 0 0
- -4.7454 -2.9638 1.6806 C 0 0 0
- -4.1774 -2.2421 -0.5926 N 0 0 0
- -8.1784 0.9888 -3.7159 C 0 0 0
- -5.3209 2.4157 3.5196 C 0 0 0
- -3.3785 -3.6375 1.8366 C 0 0 0
- -2.8205 -2.7776 -0.4389 C 0 0 0
- -2.8529 -4.0223 0.4501 C 0 0 0
- 11.9839 -1.1359 -0.4439 C 0 0 0
- 11.0210 -0.3256 -0.9127 C 0 0 0
- 13.1113 -0.5742 0.3249 C 0 0 0
- 11.2021 1.1382 -0.8684 C 0 0 0
- 14.3488 -1.0870 0.1782 O 0 0 0
- 12.9239 0.3503 1.0898 O 0 0 0
- 10.1861 1.9536 -1.2128 O 0 0 0
- 12.2669 1.6081 -0.5216 O 0 0 0
- -4.8710 0.1154 0.0000 H 0 0 0
- -7.9427 0.4966 0.0000 H 0 0 0
- -5.6494 2.3286 0.0000 H 0 0 0
- -6.8693 -0.8449 0.0000 H 0 0 0
- -6.2979 -1.9424 0.0000 H 0 0 0
- -6.0007 1.7419 0.0000 H 0 0 0
- -6.7945 2.7578 0.0000 H 0 0 0
- -7.1678 -1.5404 0.0000 H 0 0 0
- -6.1196 -0.6933 0.0000 H 0 0 0
- -7.7262 1.3982 0.0000 H 0 0 0
- -6.8028 0.4126 0.0000 H 0 0 0
- -4.3964 0.3765 0.0000 H 0 0 0
- -3.3916 1.2103 0.0000 H 0 0 0
- -4.0521 -1.0334 0.0000 H 0 0 0
- -8.0243 2.9821 0.0000 H 0 0 0
- -9.0725 2.1350 0.0000 H 0 0 0
- -9.1914 -0.3002 0.0000 H 0 0 0
- -8.3976 -1.3161 0.0000 H 0 0 0
- -6.5842 3.4378 0.0000 H 0 0 0
- -7.5890 2.6040 0.0000 H 0 0 0
- -3.2544 2.4160 0.0000 H 0 0 0
- -4.1777 3.4017 0.0000 H 0 0 0
- -5.6518 -2.7555 0.0000 H 0 0 0
- -5.0572 -3.8400 0.0000 H 0 0 0
- -4.7008 -3.0108 0.0000 H 0 0 0
- -7.3985 0.4822 0.0000 H 0 0 0
- -7.3544 1.4199 0.0000 H 0 0 0
- -5.8106 1.6251 0.0000 H 0 0 0
- -4.8486 1.6146 0.0000 H 0 0 0
- -2.5507 -3.2136 0.0000 H 0 0 0
- -3.3856 -2.7075 0.0000 H 0 0 0
- -1.8999 -2.9098 0.0000 H 0 0 0
- -2.5821 -1.8787 0.0000 H 0 0 0
- -3.2406 -4.8676 0.0000 H 0 0 0
- -1.9470 -4.2325 0.0000 H 0 0 0
- 11.8738 -2.0594 0.0000 H 0 0 0
- 10.1553 -0.6654 0.0000 H 0 0 0
- 15.2080 -1.4430 0.0000 H 0 0 0
- 9.4608 2.5357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 18 20 1 0
- 21 22 2 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 23 26 2 0
- 24 27 1 0
- 24 28 2 0
- 11 16 1 0
- 13 17 1 0
- 19 20 1 0
- 1 29 1 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 5 35 1 0
- 6 36 1 0
- 6 37 1 0
- 7 38 1 0
- 7 39 1 0
- 8 40 1 0
- 8 41 1 0
- 9 42 1 0
- 10 43 1 0
- 10 44 1 0
- 11 45 1 0
- 11 46 1 0
- 12 47 1 0
- 12 48 1 0
- 13 49 1 0
- 13 50 1 0
- 14 51 1 0
- 14 52 1 0
- 15 53 1 0
- 16 54 1 0
- 16 55 1 0
- 17 56 1 0
- 17 57 1 0
- 18 58 1 0
- 18 59 1 0
- 19 60 1 0
- 19 61 1 0
- 20 62 1 0
- 20 63 1 0
- 21 64 1 0
- 22 65 1 0
- 25 66 1 0
- 27 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6639-36-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.1256 0.0272 -0.0030 C 0 0 0
- -1.4804 -0.5690 -0.0017 C 0 0 0
- -0.0745 1.4291 -0.0011 C 0 0 0
- 1.1085 -0.6570 -0.0004 C 0 0 0
- -2.5484 0.3401 0.0013 C 0 0 0
- -1.8095 -1.9415 -0.0036 C 0 0 0
- -1.7747 1.9369 0.0023 S 0 0 0
- 1.1201 2.1199 -0.0017 C 0 0 0
- 2.2926 0.0365 -0.0016 C 0 0 0
- -3.8650 -0.0744 0.0028 C 0 0 0
- -3.1203 -2.3461 -0.0025 C 0 0 0
- 2.3130 1.4228 -0.0042 C 0 0 0
- 3.5714 -0.7090 0.0013 N 0 3 0
- -4.1567 -1.4245 0.0014 C 0 0 0
- 4.6287 -0.1045 0.0002 O 0 0 0
- 3.5662 -1.9270 0.0047 O 0 5 0
- 1.1208 -1.6969 0.0000 H 0 0 0
- -1.0509 -2.6530 0.0000 H 0 0 0
- 1.1225 3.1599 0.0000 H 0 0 0
- -4.6335 0.6263 0.0000 H 0 0 0
- -3.3409 -3.3624 0.0000 H 0 0 0
- 3.2188 1.9338 0.0000 H 0 0 0
- -5.1453 -1.7473 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5273-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 0.9296 0.7591 0.3839 C 0 0 0
- 0.9333 -0.6405 0.3731 C 0 0 0
- -0.2472 1.4523 0.0931 C 0 0 0
- 2.1651 1.5005 0.7077 C 0 0 0
- -0.2291 -1.3313 0.0745 C 0 0 0
- 2.0758 -1.3203 0.6549 O 0 0 0
- -1.4023 0.7546 -0.2037 C 0 0 0
- 3.1814 1.5006 -0.1450 C 0 0 0
- -1.3944 -0.6387 -0.2133 C 0 0 0
- 2.2048 -2.3404 -0.3375 C 0 0 0
- -2.5496 1.4293 -0.4867 O 0 0 0
- 3.2189 0.5016 -1.2726 C 0 0 0
- -2.5334 -1.3208 -0.5060 O 0 0 0
- -2.6889 2.4435 0.5103 C 0 0 0
- -2.6650 -2.3471 0.4796 C 0 0 0
- -0.2527 2.4505 0.0000 H 0 0 0
- 1.8986 2.4625 0.0000 H 0 0 0
- -0.2291 -2.3295 0.0000 H 0 0 0
- 3.8739 2.2196 0.0000 H 0 0 0
- 1.2144 -2.4656 0.0000 H 0 0 0
- 2.3300 -3.3308 0.0000 H 0 0 0
- 3.1952 -2.2152 0.0000 H 0 0 0
- 2.2214 0.4642 0.0000 H 0 0 0
- 3.2563 -0.4959 0.0000 H 0 0 0
- 4.2164 0.5390 0.0000 H 0 0 0
- -1.6999 2.5793 0.0000 H 0 0 0
- -2.8247 3.4325 0.0000 H 0 0 0
- -3.6779 2.3077 0.0000 H 0 0 0
- -3.6551 -2.2201 0.0000 H 0 0 0
- -2.7920 -3.3372 0.0000 H 0 0 0
- -1.6749 -2.4741 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 1 0
- 13 15 1 0
- 7 9 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94339-56-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.6821 -0.2331 0.0600 C 0 0 0
- -2.0591 0.0438 -0.0089 C 0 0 0
- 0.2425 0.8324 0.1143 C 0 0 0
- -0.2363 -1.5749 0.0684 C 0 0 0
- -2.5040 1.3845 -0.0255 C 0 0 0
- -2.9861 -1.0215 -0.0615 C 0 0 0
- 1.6156 0.5312 0.1853 C 0 0 0
- -0.2285 2.1637 0.0958 C 0 0 0
- 1.1368 -1.8368 0.1368 C 0 0 0
- -1.1870 -2.6218 0.0085 C 0 0 0
- -1.5538 2.4322 0.0275 C 0 0 0
- -3.8769 1.6388 -0.0937 C 0 0 0
- -2.5125 -2.3558 -0.0459 C 0 0 0
- -4.3500 -0.7255 -0.1286 C 0 0 0
- 2.0420 -0.8008 0.1972 C 0 0 0
- 2.6195 1.6083 0.2483 C 0 0 0
- -4.7740 0.5897 -0.1435 C 0 0 0
- 3.5189 -1.0955 0.2734 C 0 0 0
- 3.8828 1.3460 -0.0678 C 0 0 0
- 4.3002 -0.0333 -0.4968 C 0 0 0
- 5.6987 -0.2038 -0.2576 O 0 0 0
- 0.4630 2.9596 0.0000 H 0 0 0
- 1.4805 -2.8335 0.0000 H 0 0 0
- -0.8576 -3.6233 0.0000 H 0 0 0
- -1.8826 3.4339 0.0000 H 0 0 0
- -4.2286 2.6327 0.0000 H 0 0 0
- -3.2028 -3.1527 0.0000 H 0 0 0
- -5.0580 -1.5067 0.0000 H 0 0 0
- 2.3000 2.6130 0.0000 H 0 0 0
- -5.8078 0.7969 0.0000 H 0 0 0
- 3.1646 -2.0885 0.0000 H 0 0 0
- 4.4499 -1.5902 0.0000 H 0 0 0
- 4.5944 2.1240 0.0000 H 0 0 0
- 3.2611 0.1452 0.0000 H 0 0 0
- 6.7453 -0.3314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 1 0
- 20 21 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 19 20 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-462-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 1.8245 -0.0180 -0.0013 C 0 0 0
- 0.4740 0.6506 0.0000 C 0 0 0
- 2.9418 0.7259 -0.0007 O 0 0 0
- 1.9016 -1.2238 0.0021 O 0 0 0
- -0.5765 -0.3705 -0.0010 N 0 0 0
- -1.8733 -0.0033 -0.0001 C 0 0 0
- -2.8397 -0.9427 -0.0010 N 0 0 0
- -2.1713 1.1755 0.0015 O 0 0 0
- 1.0220 1.5000 0.0000 H 0 0 0
- -0.3080 1.2911 0.0000 H 0 0 0
- 3.7832 1.2861 0.0000 H 0 0 0
- -0.3287 -1.3505 0.0000 H 0 0 0
- -3.8123 -0.6673 0.0000 H 0 0 0
- -2.5919 -1.9227 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.3993 0.0001 -0.3823 N 0 0 0
- -0.7400 -1.1792 0.1921 C 0 0 0
- -0.7400 1.1792 0.1924 C 0 0 0
- -2.7789 0.0000 0.1222 C 0 0 0
- 0.7400 -1.1792 -0.1924 C 0 0 0
- 0.7400 1.1792 -0.1921 C 0 0 0
- 1.3993 -0.0001 0.3823 N 0 0 0
- 2.7789 0.0000 -0.1222 C 0 0 0
- -1.7054 -1.5205 0.0000 H 0 0 0
- -0.5668 -2.1885 0.0000 H 0 0 0
- -0.5668 2.1885 0.0000 H 0 0 0
- -1.7054 1.5206 0.0000 H 0 0 0
- -2.7790 1.0240 0.0000 H 0 0 0
- -3.8029 -0.0001 0.0000 H 0 0 0
- -2.7788 -1.0240 0.0000 H 0 0 0
- 0.5668 -2.1885 0.0000 H 0 0 0
- 1.7054 -1.5206 0.0000 H 0 0 0
- 1.7054 1.5205 0.0000 H 0 0 0
- 0.5668 2.1885 0.0000 H 0 0 0
- 2.7790 -1.0240 0.0000 H 0 0 0
- 3.8029 0.0001 0.0000 H 0 0 0
- 2.7788 1.0240 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70055-49-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- -3.7058 1.4268 0.0203 C 0 0 0
- -4.3540 0.2906 0.5312 C 0 0 0
- -2.3822 1.3304 -0.4376 C 0 0 0
- -4.4102 2.7064 -0.0403 C 0 0 0
- -3.6967 -0.9030 0.5815 C 0 0 0
- -1.7291 0.1342 -0.3852 C 0 0 0
- -3.7911 3.7889 -0.5277 O 0 0 0
- -5.6745 2.7958 0.3916 O 0 0 0
- -2.3772 -0.9964 0.1244 C 0 0 0
- -1.7202 -2.1942 0.1763 N 0 0 0
- -0.5040 -2.2815 -0.2448 N 0 0 0
- 0.1693 -3.5090 -0.1916 N 0 0 0
- -0.5079 -4.6934 0.3421 C 0 0 0
- 1.5505 -3.6082 -0.6698 C 0 0 0
- 11.2483 1.4912 0.1284 K 0 3 0
- -5.3626 0.2982 0.0000 H 0 0 0
- -1.8363 2.1786 0.0000 H 0 0 0
- -4.2402 -1.7527 0.0000 H 0 0 0
- -0.7205 0.1237 0.0000 H 0 0 0
- -1.3835 -4.1927 0.0000 H 0 0 0
- -1.0086 -5.5690 0.0000 H 0 0 0
- 0.3677 -5.1941 0.0000 H 0 0 0
- 1.4782 -4.6143 0.0000 H 0 0 0
- 2.5566 -3.6805 0.0000 H 0 0 0
- 1.6228 -2.6021 0.0000 H 0 0 0
- -6.6806 2.8669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 6 9 2 0
- 2 16 1 0
- 3 17 1 0
- 5 18 1 0
- 6 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 8 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-79-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4769 -1.2107 -0.0038 C 0 0 0
- -0.9634 -1.4828 -0.0206 C 0 0 0
- 0.9135 0.1332 0.0098 C 0 0 0
- 1.4161 -2.2436 0.0047 C 0 0 0
- -1.8605 -0.3905 -0.0225 C 0 0 0
- -1.4610 -2.7867 -0.0351 C 0 0 0
- -0.0351 1.1823 0.0075 C 0 0 0
- 2.2890 0.4048 0.0259 C 0 0 0
- 2.7491 -1.9462 0.0208 C 0 0 0
- -3.2399 -0.6392 -0.0385 C 0 0 0
- -1.3598 0.9323 -0.0089 C 0 0 0
- -2.8109 -2.9961 -0.0509 C 0 0 0
- 0.4368 2.5853 0.0219 N 0 3 0
- 3.1826 -0.6257 0.0282 C 0 0 0
- -3.6960 -1.9250 -0.0519 C 0 0 0
- -4.1981 0.4890 -0.0403 N 0 3 0
- -0.0462 3.3822 0.8061 O 0 0 0
- 1.3081 2.9426 -0.7506 O 0 5 0
- 4.6336 -0.3337 0.0453 N 0 3 0
- -5.1476 0.4828 0.7225 O 0 0 0
- -4.0371 1.4236 -0.8046 O 0 5 0
- 5.4388 -1.2477 0.0475 O 0 0 0
- 5.0225 0.8205 0.0572 O 0 5 0
- 1.1014 -3.2373 0.0000 H 0 0 0
- -0.8055 -3.5972 0.0000 H 0 0 0
- 2.6275 1.3907 0.0000 H 0 0 0
- 3.4493 -2.7184 0.0000 H 0 0 0
- -2.0295 1.7311 0.0000 H 0 0 0
- -3.1812 -3.9705 0.0000 H 0 0 0
- -4.7225 -2.1063 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 10 16 1 0
- 13 17 2 0
- 13 18 1 0
- 14 19 1 0
- 16 20 2 0
- 16 21 1 0
- 19 22 2 0
- 19 23 1 0
- 7 11 2 0
- 9 14 1 0
- 12 15 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7085-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.1285 -0.4437 0.3594 C 0 0 0
- -0.8514 -1.4132 0.2057 C 0 0 0
- 1.4245 -0.8093 0.5442 O 0 0 0
- -0.2151 0.8999 0.3185 C 0 0 0
- -2.1682 -1.0395 0.0175 C 0 0 0
- -0.4800 -2.8732 0.2435 C 0 0 0
- 2.1736 -0.2306 -0.5263 C 0 0 1
- -1.5317 1.2696 0.1249 C 0 0 0
- -2.5095 0.3007 -0.0177 C 0 0 0
- 3.2107 0.7072 0.0358 C 0 0 0
- 2.8661 -1.3391 -1.3217 C 0 0 0
- -4.1647 0.7677 -0.2543 Cl 0 0 0
- 4.0360 1.3685 -0.7907 O 0 0 0
- 3.2992 0.8639 1.2306 O 0 0 0
- 0.5213 1.6193 0.0000 H 0 0 0
- -2.9060 -1.7575 0.0000 H 0 0 0
- -1.4777 -3.1270 0.0000 H 0 0 0
- -0.2262 -3.8709 0.0000 H 0 0 0
- 0.5177 -2.6194 0.0000 H 0 0 0
- 1.5132 0.5591 0.0000 H 0 0 0
- -1.7899 2.2662 0.0000 H 0 0 0
- 1.9930 -1.8846 0.0000 H 0 0 0
- 3.4116 -2.2122 0.0000 H 0 0 0
- 3.7392 -0.7936 0.0000 H 0 0 0
- 4.8394 2.0123 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 8 9 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2213-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -1.3862 0.7087 -0.0026 C 0 0 0
- -1.3863 -0.7088 -0.0019 C 0 0 0
- -0.2232 1.3700 -0.0021 N 0 0 0
- -2.6118 1.3970 0.0020 C 0 0 0
- -0.2232 -1.3700 -0.0008 N 0 0 0
- -2.6119 -1.3970 -0.0020 C 0 0 0
- 0.9073 0.7000 -0.0009 C 0 0 0
- -3.7788 0.6970 0.0071 C 0 0 0
- 0.9072 -0.7000 -0.0003 C 0 0 0
- -3.7788 -0.6969 -0.0027 C 0 0 0
- 2.4156 1.5595 -0.0002 Cl 0 0 0
- 2.4156 -1.5595 0.0018 Cl 0 0 0
- -2.6267 2.4423 0.0000 H 0 0 0
- -2.6269 -2.4423 0.0000 H 0 0 0
- -4.6885 1.2121 0.0000 H 0 0 0
- -4.6885 -1.2120 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 7 9 2 0
- 8 10 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.8296 0.0000 -0.3806 N 0 0 0
- 0.5744 0.4451 0.2392 C 0 0 0
- 2.8857 0.8912 0.1177 C 0 0 0
- 2.1158 -1.3363 0.1582 C 0 0 0
- -0.5744 -0.4451 -0.2392 C 0 0 0
- -1.8296 0.0000 0.3806 N 0 0 0
- -2.1158 1.3363 -0.1582 C 0 0 0
- -2.8857 -0.8912 -0.1177 C 0 0 0
- 1.0935 1.3289 0.0000 H 0 0 0
- -0.1953 1.1219 0.0000 H 0 0 0
- 3.5467 0.1079 0.0000 H 0 0 0
- 3.6690 1.5522 0.0000 H 0 0 0
- 2.2247 1.6745 0.0000 H 0 0 0
- 1.1136 -1.5509 0.0000 H 0 0 0
- 2.3304 -2.3385 0.0000 H 0 0 0
- 3.1180 -1.1217 0.0000 H 0 0 0
- -1.0935 -1.3289 0.0000 H 0 0 0
- 0.1953 -1.1219 0.0000 H 0 0 0
- -1.1136 1.5509 0.0000 H 0 0 0
- -2.3304 2.3385 0.0000 H 0 0 0
- -3.1180 1.1217 0.0000 H 0 0 0
- -3.5467 -0.1079 0.0000 H 0 0 0
- -3.6690 -1.5522 0.0000 H 0 0 0
- -2.2247 -1.6745 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-84-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.6211 0.7943 0.0018 C 0 0 0
- -1.0472 -0.5321 0.0004 C 0 0 0
- 0.7358 1.0831 0.0017 C 0 0 0
- -1.5595 1.8328 -0.0025 N 0 0 0
- -0.1141 -1.5557 -0.0011 C 0 0 0
- -2.3762 -0.8212 0.0009 O 0 0 0
- 1.6605 0.0557 0.0002 C 0 0 0
- 1.2368 -1.2603 -0.0013 C 0 0 0
- 3.1342 0.3709 0.0000 C 0 0 0
- 1.0568 2.0711 0.0000 H 0 0 0
- -1.2402 2.8213 0.0000 H 0 0 0
- -2.5752 1.6150 0.0000 H 0 0 0
- -0.4292 -2.5456 0.0000 H 0 0 0
- -3.3913 -1.0420 0.0000 H 0 0 0
- 1.9352 -2.0293 0.0000 H 0 0 0
- 3.3515 -0.6449 0.0000 H 0 0 0
- 4.1500 0.5882 0.0000 H 0 0 0
- 2.9169 1.3867 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114460-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.2391 0.4822 -0.0029 C 0 0 0
- -1.1813 -0.5672 -0.0017 C 0 0 0
- 1.1998 0.2199 -0.0018 C 0 0 0
- -0.6866 1.8188 0.0006 C 0 0 0
- -2.5475 -0.2581 -0.0023 C 0 0 0
- -1.0788 -1.9177 -0.0006 N 0 0 0
- 2.0918 1.3176 -0.0028 C 0 0 0
- 1.7045 -1.0829 0.0007 C 0 0 0
- -2.0671 2.0895 0.0050 C 0 0 0
- 0.2542 2.8743 -0.0007 C 0 0 0
- -2.9696 1.0723 -0.0035 C 0 0 0
- -3.2115 -1.4680 -0.0015 N 0 0 0
- -2.2685 -2.4469 -0.0005 C 0 0 0
- 1.5819 2.6354 -0.0052 C 0 0 0
- 3.4744 1.0805 -0.0017 C 0 0 0
- 3.0696 -1.2838 0.0021 C 0 0 0
- -2.5494 3.5173 0.0094 C 0 0 0
- -2.5572 -3.9260 0.0006 C 0 0 0
- 3.9458 -0.1975 0.0003 C 0 0 0
- 3.5648 -2.5492 0.0050 O 0 0 0
- 1.0508 -1.9018 0.0000 H 0 0 0
- -0.0877 3.8648 0.0000 H 0 0 0
- -3.9946 1.2900 0.0000 H 0 0 0
- -4.2502 -1.6063 0.0000 H 0 0 0
- 2.2488 3.4437 0.0000 H 0 0 0
- 4.1443 1.8862 0.0000 H 0 0 0
- -1.5567 3.8526 0.0000 H 0 0 0
- -2.8847 4.5100 0.0000 H 0 0 0
- -3.5421 3.1820 0.0000 H 0 0 0
- -3.5856 -3.7253 0.0000 H 0 0 0
- -2.7579 -4.9545 0.0000 H 0 0 0
- -1.5287 -4.1267 0.0000 H 0 0 0
- 4.9798 -0.3672 0.0000 H 0 0 0
- 3.9467 -3.5250 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 1 0
- 9 11 2 0
- 10 14 2 0
- 12 13 1 0
- 16 19 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-32-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.2031 -0.2260 0.1236 C 0 0 0
- -2.3765 0.5964 -0.0322 C 0 0 0
- 0.1460 0.3603 0.1678 C 0 0 0
- -1.4012 -1.5867 0.2353 C 0 0 0
- -3.5673 -0.0335 -0.0614 C 0 0 0
- 1.2228 -0.4368 0.3146 N 0 0 0
- 0.2893 1.5645 0.0719 O 0 0 0
- -3.1223 -1.7471 0.1324 S 0 0 0
- -4.9171 0.5561 -0.2086 N 0 3 0
- 2.5099 0.1029 0.2247 C 0 0 0
- -5.8990 -0.1646 -0.2150 O 0 0 0
- -5.0459 1.7618 -0.3232 O 0 5 0
- 3.6184 -0.7341 0.2409 C 0 0 0
- 2.6824 1.4763 0.1132 C 0 0 0
- 4.8878 -0.1981 0.1520 C 0 0 0
- 3.9549 2.0061 0.0247 C 0 0 0
- 5.0563 1.1707 0.0469 C 0 0 0
- 6.0910 -1.1053 0.1701 C 0 0 0
- 6.4413 -1.5163 -1.2615 C 0 0 0
- -2.3119 1.6300 0.0000 H 0 0 0
- -0.6881 -2.3376 0.0000 H 0 0 0
- 1.0987 -1.4649 0.0000 H 0 0 0
- 3.4907 -1.7618 0.0000 H 0 0 0
- 1.8584 2.1035 0.0000 H 0 0 0
- 4.0863 3.0333 0.0000 H 0 0 0
- 6.0102 1.5737 0.0000 H 0 0 0
- 7.0930 -0.8439 0.0000 H 0 0 0
- 6.2921 -0.0894 0.0000 H 0 0 0
- 5.6532 -2.1880 0.0000 H 0 0 0
- 7.1130 -2.3044 0.0000 H 0 0 0
- 7.2294 -0.8446 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 18 19 1 0
- 5 8 1 0
- 16 17 2 0
- 2 20 1 0
- 4 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2243-47-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.3954 -0.2620 0.0557 C 0 0 0
- -1.0745 -0.0618 0.0177 C 0 0 0
- 1.2521 0.8077 -0.1907 C 0 0 0
- 0.9219 -1.5197 0.3437 C 0 0 0
- -1.8981 -1.0330 -0.5482 C 0 0 0
- -1.6365 1.0952 0.5529 C 0 0 0
- 2.6249 0.6139 -0.1537 C 0 0 0
- 2.2899 -1.7047 0.3786 C 0 0 0
- -3.2644 -0.8419 -0.5804 C 0 0 0
- -3.0045 1.2761 0.5153 C 0 0 0
- 3.1411 -0.6455 0.1287 C 0 0 0
- 3.4885 1.6838 -0.4006 N 0 0 0
- -3.8168 0.3113 -0.0522 C 0 0 0
- 0.8741 1.7607 0.0000 H 0 0 0
- 0.2979 -2.3331 0.0000 H 0 0 0
- -1.5329 -1.9910 0.0000 H 0 0 0
- -1.0366 1.9266 0.0000 H 0 0 0
- 2.6699 -2.6569 0.0000 H 0 0 0
- -3.8697 -1.6694 0.0000 H 0 0 0
- -3.3750 2.2320 0.0000 H 0 0 0
- 4.1557 -0.7926 0.0000 H 0 0 0
- 4.5014 1.5250 0.0000 H 0 0 0
- 3.1196 2.6403 0.0000 H 0 0 0
- -4.8338 0.4407 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 8 11 2 0
- 10 13 2 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- 0.0618 -0.4614 0.0000 C 0 0 0
- -1.1280 0.1599 0.0000 O 0 0 0
- 1.0817 0.1864 0.0000 O 0 0 0
- 0.1023 -1.4170 0.0000 H 0 0 0
- -1.9758 0.6026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105052-38-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -1.0783 0.0021 0.0020 C 0 0 0
- -0.3995 -1.2970 0.0015 C 0 0 0
- -0.2954 1.1644 0.0013 C 0 0 0
- -2.4856 0.0572 -0.0027 C 0 0 0
- 0.9928 -1.2710 0.0004 C 0 0 0
- -1.2185 -2.5080 0.0027 C 0 0 0
- 1.0364 1.0419 0.0007 O 0 0 0
- -0.9523 2.4139 0.0017 C 0 0 0
- -3.2149 -1.1438 -0.0082 C 0 0 0
- -3.1028 1.3201 -0.0022 C 0 0 0
- 1.6229 -0.0238 -0.0002 C 0 0 0
- -2.5784 -2.3840 0.0042 C 0 0 0
- -2.3171 2.4708 0.0027 C 0 0 0
- 3.1032 0.0023 -0.0009 N 0 3 0
- 3.6935 1.0677 -0.0014 O 0 0 0
- 3.8327 -1.2114 -0.0009 O 0 5 0
- 1.5510 -2.1597 0.0000 H 0 0 0
- -0.7690 -3.4564 0.0000 H 0 0 0
- -0.3911 3.3007 0.0000 H 0 0 0
- -4.2637 -1.1063 0.0000 H 0 0 0
- -4.1496 1.3959 0.0000 H 0 0 0
- -3.1656 -3.2539 0.0000 H 0 0 0
- -2.7877 3.4089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 11 14 1 0
- 14 15 2 0
- 14 16 1 0
- 7 11 1 0
- 9 12 2 0
- 10 13 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-148193-38-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.1815 0.7171 -0.3578 C 0 0 0
- 0.3872 -0.6795 -0.2950 C 0 0 0
- 1.8236 1.3719 -0.4818 S 0 0 0
- -1.0803 1.2706 -0.3136 C 0 0 0
- 1.7938 -1.0536 -0.3517 C 0 0 0
- -0.7612 -1.4950 -0.1889 C 0 0 0
- 2.7163 -0.0833 -0.4532 N 0 0 0
- -2.1842 0.4396 -0.2045 C 0 0 0
- 2.1271 -2.2255 -0.3081 O 0 0 0
- -2.0020 -0.9422 -0.1503 C 0 0 0
- 4.1713 -0.2392 -0.5236 C 0 0 0
- -3.4347 0.9665 -0.1591 O 0 0 0
- 4.7555 -0.2181 0.8903 C 0 0 0
- -4.3419 -0.1319 -0.0473 C 0 0 0
- 6.2750 -0.3809 0.8167 C 0 0 0
- 5.6505 0.8883 1.0194 O 0 0 0
- -5.7770 0.3956 0.0089 C 0 0 0
- -6.7483 -0.7805 0.1286 C 0 0 0
- -6.3741 0.0200 1.2516 O 0 0 0
- -1.2026 2.3211 0.0000 H 0 0 0
- -0.6565 -2.5474 0.0000 H 0 0 0
- -2.8494 -1.5749 0.0000 H 0 0 0
- 3.5893 -1.1222 0.0000 H 0 0 0
- 4.6895 -1.1611 0.0000 H 0 0 0
- 4.7182 -1.2750 0.0000 H 0 0 0
- -4.8161 -1.0772 0.0000 H 0 0 0
- -3.4559 -0.7094 0.0000 H 0 0 0
- 6.3608 -1.4350 0.0000 H 0 0 0
- 7.2945 -0.0996 0.0000 H 0 0 0
- -5.8874 1.4474 0.0000 H 0 0 0
- -7.8059 -0.7826 0.0000 H 0 0 0
- -6.2967 -1.7368 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 5 7 1 0
- 8 10 1 0
- 15 16 1 0
- 18 19 1 0
- 4 20 1 0
- 6 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-64-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.3211 0.8939 0.2377 C 0 0 0
- -1.3436 -0.5061 0.1295 C 0 0 0
- -0.2242 1.5957 0.5383 O 0 0 0
- -2.5166 1.5849 0.0382 C 0 0 0
- -0.0667 -1.2330 0.2683 C 0 0 0
- -2.5369 -1.1963 -0.1164 C 0 0 0
- 0.9576 1.0169 0.2986 C 0 0 0
- -3.6900 0.9023 -0.2283 C 0 0 0
- 1.1321 -0.3671 0.1677 C 0 0 0
- -0.0036 -2.4354 0.4499 O 0 0 0
- -3.7094 -0.4863 -0.2996 C 0 0 0
- -2.5426 -2.5517 -0.1750 O 0 0 0
- 2.0857 1.8350 0.1777 C 0 0 0
- -4.8389 1.5980 -0.4230 O 0 0 0
- 2.3910 -0.9193 -0.0529 C 0 0 0
- 3.3271 1.2880 -0.0473 C 0 0 0
- 3.4917 -0.0888 -0.1597 C 0 0 0
- 4.7271 -0.6147 -0.3737 O 0 0 0
- 5.6387 0.4840 -0.4355 C 0 0 0
- -2.5180 2.6188 0.0000 H 0 0 0
- -4.6137 -0.9876 0.0000 H 0 0 0
- -2.5469 -3.5856 0.0000 H 0 0 0
- 1.9761 2.8631 0.0000 H 0 0 0
- -5.7233 2.1335 0.0000 H 0 0 0
- 2.5112 -1.9462 0.0000 H 0 0 0
- 4.1580 1.9033 0.0000 H 0 0 0
- 6.4344 -0.1762 0.0000 H 0 0 0
- 6.2989 1.2797 0.0000 H 0 0 0
- 4.8430 1.1442 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 1 0
- 7 9 2 0
- 8 11 1 0
- 16 17 1 0
- 4 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 19 27 1 0
- 19 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1606-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.9067 0.0653 -0.0022 C 0 0 0
- -0.3631 -0.2352 -0.0019 C 0 0 0
- 1.3359 1.4766 -0.0009 C 0 0 0
- 1.9287 -0.9967 0.0024 C 0 0 0
- -1.3795 0.8338 -0.0003 C 0 0 0
- -0.8005 -1.6428 -0.0027 C 0 0 0
- 0.4359 2.4308 0.0009 C 0 0 0
- 2.7837 1.7500 -0.0011 C 0 0 0
- 1.4991 -2.4052 0.0076 C 0 0 0
- 3.1973 -0.6605 0.0020 C 0 0 0
- -1.0028 2.0903 0.0008 C 0 0 0
- -2.7962 0.4291 0.0006 C 0 0 0
- 0.2150 -2.7092 -0.0039 C 0 0 0
- -2.0852 -1.9110 -0.0018 C 0 0 0
- 3.6304 0.7426 -0.0026 C 0 0 0
- -3.1014 -0.8510 -0.0001 C 0 0 0
- -3.7752 1.3658 0.0026 N 0 0 0
- 0.7520 3.4858 0.0000 H 0 0 0
- 3.1537 2.7873 0.0000 H 0 0 0
- 2.2527 -3.2083 0.0000 H 0 0 0
- 3.9602 -1.4548 0.0000 H 0 0 0
- -1.7583 2.8916 0.0000 H 0 0 0
- -0.0985 -3.7649 0.0000 H 0 0 0
- -2.4110 -2.9630 0.0000 H 0 0 0
- 4.7098 0.9612 0.0000 H 0 0 0
- -4.1642 -1.1396 0.0000 H 0 0 0
- -3.5137 2.4356 0.0000 H 0 0 0
- -4.8324 1.0573 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 12 16 2 0
- 12 17 1 0
- 7 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1204-41-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.3925 0.1639 -0.0010 C 0 0 0
- -1.0902 0.2124 -0.0016 C 0 0 0
- 1.0907 0.1417 -1.2076 C 0 0 0
- 1.0896 0.1463 1.2058 C 0 0 0
- -1.8287 -0.9697 0.0011 C 0 0 0
- -1.7497 1.4399 0.0009 C 0 0 0
- 2.4683 0.0966 -1.2048 C 0 0 0
- 2.4677 0.1011 1.2042 C 0 0 0
- -3.2077 -0.9186 0.0005 C 0 0 0
- -1.1226 -2.3010 0.0041 C 0 0 0
- -3.1295 1.4790 0.0003 C 0 0 0
- 3.1616 0.0733 0.0001 C 0 0 0
- -3.8572 0.3029 -0.0028 C 0 0 0
- 4.5565 0.0276 0.0007 N 0 0 0
- 1.1241 1.1764 0.0000 H 0 0 0
- 1.1196 1.1811 0.0000 H 0 0 0
- -1.2059 2.3208 0.0000 H 0 0 0
- 2.5026 1.1313 0.0000 H 0 0 0
- 2.5054 1.1357 0.0000 H 0 0 0
- -3.7572 -1.7960 0.0000 H 0 0 0
- -2.0372 -2.7861 0.0000 H 0 0 0
- -0.6375 -3.2156 0.0000 H 0 0 0
- -0.2080 -1.8159 0.0000 H 0 0 0
- -3.6205 2.3904 0.0000 H 0 0 0
- -4.8919 0.3367 0.0000 H 0 0 0
- 5.0445 -0.8854 0.0000 H 0 0 0
- 5.1032 0.9067 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 1 0
- 8 12 2 0
- 11 13 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60414-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- 0.0394 0.0305 -0.0567 N 0 0 0
- 0.7089 1.0128 -0.9129 C 0 0 0
- -0.6156 0.4628 1.1804 C 0 0 0
- 0.0219 -1.2142 -0.3949 N 0 0 0
- 2.1723 1.1471 -0.4871 C 0 0 0
- -2.0739 0.8210 0.8871 C 0 0 0
- -0.5348 -2.0309 0.3170 O 0 0 0
- 2.8340 -0.1389 -0.6167 O 0 0 0
- 2.8716 2.1729 -1.3813 C 0 0 0
- -2.7609 -0.3432 0.3570 O 0 0 0
- -2.7579 1.2723 2.1791 C 0 0 0
- 3.8519 -0.4552 0.1992 C 0 0 0
- -3.7804 -0.1873 -0.5022 C 0 0 0
- 4.5386 -1.7899 0.0646 C 0 0 0
- 4.2174 0.3301 1.0415 O 0 0 0
- -4.4935 -1.3955 -1.0524 C 0 0 0
- -4.1264 0.9217 -0.8344 O 0 0 0
- 0.8346 1.9154 0.0000 H 0 0 0
- -0.1413 1.3409 0.0000 H 0 0 0
- 0.1477 0.9607 0.0000 H 0 0 0
- -0.7685 1.3612 0.0000 H 0 0 0
- 1.7100 1.9325 0.0000 H 0 0 0
- -1.7089 1.6561 0.0000 H 0 0 0
- 3.6246 1.6596 0.0000 H 0 0 0
- 3.3849 2.9259 0.0000 H 0 0 0
- 2.1186 2.6862 0.0000 H 0 0 0
- -2.2560 2.0330 0.0000 H 0 0 0
- -3.5186 1.7742 0.0000 H 0 0 0
- -3.2598 0.5116 0.0000 H 0 0 0
- 3.7282 -2.2068 0.0000 H 0 0 0
- 4.9555 -2.6003 0.0000 H 0 0 0
- 5.3490 -1.3730 0.0000 H 0 0 0
- -5.2783 -0.9323 0.0000 H 0 0 0
- -4.9567 -2.1803 0.0000 H 0 0 0
- -3.7087 -1.8587 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 2 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2499-95-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -0.2630 -0.3782 0.0000 C 0 0 0
- -1.4283 0.4882 0.0000 O 0 0 0
- 1.0069 0.4752 0.0000 C 0 0 0
- -2.6657 -0.0466 0.0000 C 0 0 0
- 2.2347 -0.4377 0.0000 C 0 0 0
- -3.8449 0.8302 0.0000 C 0 0 0
- -2.8060 -1.2538 0.0000 O 0 0 0
- 3.5046 0.4157 0.0000 C 0 0 0
- -5.0666 0.3023 0.0000 C 0 0 0
- 4.7325 -0.4972 0.0000 C 0 0 0
- 6.0024 0.3562 0.0000 C 0 0 0
- -1.0318 -1.1992 0.0000 H 0 0 0
- 0.4659 -1.2349 0.0000 H 0 0 0
- 1.7757 1.2962 0.0000 H 0 0 0
- 0.2780 1.3319 0.0000 H 0 0 0
- 1.4659 -1.2587 0.0000 H 0 0 0
- 2.9636 -1.2944 0.0000 H 0 0 0
- -3.7150 1.9475 0.0000 H 0 0 0
- 4.2734 1.2367 0.0000 H 0 0 0
- 2.7757 1.2724 0.0000 H 0 0 0
- -5.9692 0.9734 0.0000 H 0 0 0
- -5.1965 -0.8150 0.0000 H 0 0 0
- 3.9637 -1.3182 0.0000 H 0 0 0
- 5.4614 -1.3539 0.0000 H 0 0 0
- 6.6298 -0.5774 0.0000 H 0 0 0
- 6.9360 0.9836 0.0000 H 0 0 0
- 5.3750 1.2898 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 10 11 1 0
- 1 12 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83996-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 82 1 V2000
- -3.4421 3.9455 0.2228 C 0 0 0
- -4.6496 3.5736 -0.3726 N 0 0 0
- -2.5252 2.9740 0.6029 C 0 0 0
- -3.1531 5.2884 0.4309 C 0 0 0
- -5.7504 4.5363 -0.4598 C 0 0 0
- -4.8153 2.2207 -0.9098 C 0 0 0
- -1.3318 3.3454 1.1910 C 0 0 0
- -1.9582 5.6527 1.0194 C 0 0 0
- -7.0794 3.8135 -0.2311 C 0 0 0
- -5.1446 1.2558 0.2310 C 0 0 0
- -0.3363 2.2920 1.6038 C 0 0 0
- -1.0494 4.6825 1.4011 C 0 0 0
- -8.4342 4.9983 -0.3385 Cl 0 0 0
- -5.3485 -0.4091 -0.4301 Cl 0 0 0
- 0.0795 1.4753 0.3786 C 0 0 1
- 1.5811 1.3532 0.3424 C 0 0 0
- -0.5173 0.1397 0.4566 N 0 0 0
- 2.1556 0.2654 -0.2082 N 0 0 0
- 2.2726 2.2337 0.8086 O 0 0 0
- -0.8244 -0.5282 -0.6730 C 0 0 0
- 2.9381 -0.6507 0.6253 C 0 0 2
- -1.4383 -1.9022 -0.5928 C 0 0 2
- -0.6066 -0.0235 -1.7541 O 0 0 0
- 4.3713 -0.1872 0.6721 C 0 0 0
- 2.8769 -2.0593 0.0310 C 0 0 0
- -0.3293 -2.9561 -0.5754 C 0 0 0
- -2.3033 -2.1208 -1.7598 N 0 0 0
- 5.1216 -0.4347 1.7572 O 0 0 0
- 4.8450 0.4072 -0.2672 O 0 0 0
- 2.8324 -3.0885 1.1622 C 0 0 0
- -0.9436 -4.3320 -0.5987 C 0 0 0
- 6.5025 0.0119 1.8023 C 0 0 0
- 2.7597 -4.7585 0.4576 S 0 0 0
- -0.9663 -5.0583 -1.7745 C 0 0 0
- -1.4789 -4.8692 0.5574 C 0 0 0
- 7.1266 -0.3945 3.1389 C 0 0 0
- 2.7173 -5.7417 1.9815 C 0 0 0
- -1.5294 -6.3204 -1.7971 C 0 0 0
- -2.0423 -6.1307 0.5372 C 0 0 0
- -2.0707 -6.8570 -0.6415 C 0 0 0
- -2.6214 -8.0905 -0.6624 F 0 0 0
- 15.3635 5.1190 -2.0703 Cl 0 0 0
- -2.7786 2.0072 0.0000 H 0 0 0
- -3.8889 5.9648 0.0000 H 0 0 0
- -5.0084 5.2059 0.0000 H 0 0 0
- -6.3280 5.3520 0.0000 H 0 0 0
- -4.1072 1.5153 0.0000 H 0 0 0
- -3.8707 2.5471 0.0000 H 0 0 0
- -1.7002 6.6183 0.0000 H 0 0 0
- -7.8214 3.1439 0.0000 H 0 0 0
- -6.5018 2.9978 0.0000 H 0 0 0
- -5.8527 1.9612 0.0000 H 0 0 0
- -6.0892 0.9294 0.0000 H 0 0 0
- 0.6622 2.3347 0.0000 H 0 0 0
- 0.0395 3.2181 0.0000 H 0 0 0
- -0.0868 4.9513 0.0000 H 0 0 0
- -0.9196 1.4500 0.0000 H 0 0 0
- 0.3930 -0.2729 0.0000 H 0 0 0
- 1.3287 -0.2960 0.0000 H 0 0 0
- 1.9931 -0.9762 0.0000 H 0 0 0
- -2.0815 -1.1372 0.0000 H 0 0 0
- 2.0338 -1.5225 0.0000 H 0 0 0
- 1.9905 -2.5211 0.0000 H 0 0 0
- 0.5314 -3.4642 0.0000 H 0 0 0
- 0.2728 -2.1584 0.0000 H 0 0 0
- -2.9999 -1.4041 0.0000 H 0 0 0
- -2.5757 -3.0824 0.0000 H 0 0 0
- 3.6755 -3.6253 0.0000 H 0 0 0
- 3.7188 -2.6267 0.0000 H 0 0 0
- 7.2223 0.7053 0.0000 H 0 0 0
- 5.9889 0.8693 0.0000 H 0 0 0
- 0.0079 -5.2817 0.0000 H 0 0 0
- -2.3028 -4.3034 0.0000 H 0 0 0
- 6.5812 -1.2320 0.0000 H 0 0 0
- 7.9641 -0.9399 0.0000 H 0 0 0
- 7.6720 0.4430 0.0000 H 0 0 0
- 1.7188 -5.6986 0.0000 H 0 0 0
- 2.6742 -6.7402 0.0000 H 0 0 0
- 3.7158 -5.7848 0.0000 H 0 0 0
- -0.7072 -6.8886 0.0000 H 0 0 0
- -3.0155 -5.9033 0.0000 H 0 0 0
- 16.3630 5.1190 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 21 18 1 0
- 20 22 1 0
- 20 23 2 0
- 21 24 1 0
- 21 25 1 0
- 22 26 1 0
- 22 27 1 0
- 24 28 1 0
- 24 29 2 0
- 25 30 1 0
- 26 31 1 0
- 28 32 1 0
- 30 33 1 0
- 31 34 2 0
- 31 35 1 0
- 32 36 1 0
- 33 37 1 0
- 34 38 1 0
- 35 39 2 0
- 38 40 2 0
- 40 41 1 0
- 8 12 1 0
- 39 40 1 0
- 3 43 1 0
- 4 44 1 0
- 5 45 1 0
- 5 46 1 0
- 6 47 1 0
- 6 48 1 0
- 8 49 1 0
- 9 50 1 0
- 9 51 1 0
- 10 52 1 0
- 10 53 1 0
- 11 54 1 0
- 11 55 1 0
- 12 56 1 0
- 15 57 1 0
- 17 58 1 0
- 18 59 1 0
- 21 60 1 0
- 22 61 1 0
- 25 62 1 0
- 25 63 1 0
- 26 64 1 0
- 26 65 1 0
- 27 66 1 0
- 27 67 1 0
- 30 68 1 0
- 30 69 1 0
- 32 70 1 0
- 32 71 1 0
- 34 72 1 0
- 35 73 1 0
- 36 74 1 0
- 36 75 1 0
- 36 76 1 0
- 37 77 1 0
- 37 78 1 0
- 37 79 1 0
- 38 80 1 0
- 39 81 1 0
- 42 82 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3175-89-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- -0.5882 0.1496 -0.1088 C 0 0 0
- 0.3340 -0.8922 -0.2267 C 0 0 0
- -0.1104 1.5513 -0.1786 C 0 0 0
- -1.9416 -0.1253 0.0780 C 0 0 0
- 1.7954 -0.5767 -0.4013 C 0 0 1
- -0.1031 -2.1997 -0.1868 C 0 0 0
- 1.2403 1.8157 0.0429 C 0 0 0
- -0.9881 2.5930 -0.4603 C 0 0 0
- -2.3691 -1.4479 0.1424 C 0 0 0
- -3.0241 0.6919 0.2235 O 0 0 0
- 2.1767 0.6857 0.3688 C 0 0 1
- 2.6004 -1.6992 0.1001 N 0 0 0
- -1.4496 -2.4736 0.0080 C 0 0 0
- 0.8448 -3.3507 -0.3800 C 0 0 0
- 1.7042 3.1133 -0.0287 C 0 0 0
- -0.5132 3.8882 -0.5255 C 0 0 0
- -3.7207 -1.4601 0.3353 O 0 0 0
- -4.1718 -0.1412 -0.0259 C 0 0 0
- 2.1317 0.4195 1.7721 O 0 0 0
- 2.2518 -2.8713 -0.7023 C 0 0 0
- 4.0023 -1.3818 -0.2029 C 0 0 0
- 0.8290 4.1466 -0.3118 C 0 0 0
- 2.8158 -0.4074 0.0000 H 0 0 0
- -2.0067 2.4136 0.0000 H 0 0 0
- 3.1756 0.9539 0.0000 H 0 0 0
- -1.7746 -3.4555 0.0000 H 0 0 0
- -0.0267 -3.9078 0.0000 H 0 0 0
- 1.2934 -4.2827 0.0000 H 0 0 0
- 2.7218 3.2982 0.0000 H 0 0 0
- -1.1833 4.6761 0.0000 H 0 0 0
- -4.6933 0.7520 0.0000 H 0 0 0
- -5.1124 -0.5714 0.0000 H 0 0 0
- 1.9593 -0.6003 0.0000 H 0 0 0
- 2.3783 -3.8978 0.0000 H 0 0 0
- 3.2825 -2.9573 0.0000 H 0 0 0
- 4.2307 -2.3906 0.0000 H 0 0 0
- 5.0111 -1.1534 0.0000 H 0 0 0
- 3.7739 -0.3730 0.0000 H 0 0 0
- 1.1729 5.1221 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 15 22 2 0
- 7 11 1 0
- 9 13 1 0
- 14 20 1 0
- 16 22 1 0
- 17 18 1 0
- 5 23 1 0
- 8 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-605-94-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.9769 0.1532 -0.0938 C 0 0 0
- -0.0761 -0.8394 0.0915 C 0 0 0
- -0.5166 1.5498 -0.2183 C 0 0 0
- -2.3012 -0.1358 -0.1705 O 0 0 0
- 1.3629 -0.5211 0.1682 C 0 0 0
- -0.4953 -2.1255 0.2070 O 0 0 0
- 0.9267 1.8622 -0.1405 C 0 0 0
- -1.3233 2.4427 -0.3842 O 0 0 0
- -2.8433 0.0606 1.1370 C 0 0 0
- 1.8179 0.8804 0.0427 C 0 0 0
- 2.1735 -1.4103 0.3349 O 0 0 0
- -0.3894 -2.7126 -1.0915 C 0 0 0
- 3.2876 1.2038 0.1218 C 0 0 0
- 1.2365 2.8283 0.0000 H 0 0 0
- -2.4977 1.0145 0.0000 H 0 0 0
- -3.7972 0.4062 0.0000 H 0 0 0
- -3.1889 -0.8933 0.0000 H 0 0 0
- -1.3878 -2.8927 0.0000 H 0 0 0
- -0.2093 -3.7110 0.0000 H 0 0 0
- 0.6090 -2.5325 0.0000 H 0 0 0
- 3.5056 0.2130 0.0000 H 0 0 0
- 4.2784 1.4218 0.0000 H 0 0 0
- 3.0696 2.1946 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 10 13 1 0
- 7 10 2 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73536-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- 0.7381 0.0341 0.3220 C 0 0 0
- -0.7379 -0.0336 0.3224 C 0 0 0
- 1.4779 -0.7860 1.1762 C 0 0 0
- 1.4056 0.9227 -0.5448 C 0 0 0
- -1.4771 0.7875 1.1755 C 0 0 0
- -1.4060 -0.9237 -0.5430 C 0 0 0
- 2.8668 -0.7183 1.1722 C 0 0 0
- 1.0877 -1.7199 2.0914 O 0 0 0
- 2.8010 0.9790 -0.5372 C 0 0 0
- 0.6355 1.7871 -1.4542 C 0 0 0
- -2.8665 0.7201 1.1719 C 0 0 0
- -1.0867 1.7220 2.0900 O 0 0 0
- -2.8010 -0.9797 -0.5351 C 0 0 0
- -0.6363 -1.7898 -1.4511 C 0 0 0
- 3.5224 0.1675 0.3177 C 0 0 0
- 3.3494 -1.6100 2.0860 O 0 0 0
- 2.2605 -2.5129 2.3543 C 0 0 0
- 1.2771 2.6357 -2.2819 O 0 0 0
- -0.5787 1.7354 -1.4588 O 0 0 0
- -3.5223 -0.1655 0.3182 C 0 0 0
- -3.3484 1.6127 2.0852 O 0 0 0
- -2.2592 2.5154 2.3525 C 0 0 0
- -1.2783 -2.6397 -2.2773 O 0 0 0
- 0.5780 -1.7385 -1.4560 O 0 0 0
- 4.8808 0.2277 0.3203 O 0 0 0
- 0.5176 3.4883 -3.1789 C 0 0 0
- -4.8807 -0.2254 0.3211 O 0 0 0
- -0.5191 -3.4939 -3.1729 C 0 0 0
- 5.2524 1.2124 -0.6463 C 0 0 0
- -5.2528 -1.2105 -0.6449 C 0 0 0
- 3.1360 1.7671 0.0000 H 0 0 0
- -3.1367 -1.7675 0.0000 H 0 0 0
- 1.7159 -3.1738 0.0000 H 0 0 0
- 2.8670 -3.1175 0.0000 H 0 0 0
- -1.7144 3.1761 0.0000 H 0 0 0
- -2.8655 3.1202 0.0000 H 0 0 0
- 1.1571 4.0579 0.0000 H 0 0 0
- -0.0520 4.1278 0.0000 H 0 0 0
- -0.1219 2.9187 0.0000 H 0 0 0
- -1.1592 -4.0628 0.0000 H 0 0 0
- 0.0498 -4.1340 0.0000 H 0 0 0
- 0.1210 -2.9250 0.0000 H 0 0 0
- 6.0536 0.9100 0.0000 H 0 0 0
- 5.5548 2.0136 0.0000 H 0 0 0
- 4.4512 1.5148 0.0000 H 0 0 0
- -6.0539 -0.9079 0.0000 H 0 0 0
- -5.5554 -2.0116 0.0000 H 0 0 0
- -4.4517 -1.5131 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 10 19 2 0
- 11 20 2 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 14 24 2 0
- 15 25 1 0
- 18 26 1 0
- 20 27 1 0
- 23 28 1 0
- 25 29 1 0
- 27 30 1 0
- 9 15 2 0
- 13 20 1 0
- 16 17 1 0
- 21 22 1 0
- 9 31 1 0
- 13 32 1 0
- 17 33 1 0
- 17 34 1 0
- 22 35 1 0
- 22 36 1 0
- 26 37 1 0
- 26 38 1 0
- 26 39 1 0
- 28 40 1 0
- 28 41 1 0
- 28 42 1 0
- 29 43 1 0
- 29 44 1 0
- 29 45 1 0
- 30 46 1 0
- 30 47 1 0
- 30 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83-32-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -0.0001 0.1723 0.0016 C 0 0 0
- -1.1704 0.9239 0.0004 C 0 0 0
- 1.1708 0.9238 0.0003 C 0 0 0
- -0.0003 -1.2341 -0.0016 C 0 0 0
- -0.7718 2.3796 -0.0018 C 0 0 0
- -2.3575 0.2571 0.0018 C 0 0 0
- 0.7725 2.3796 -0.0018 C 0 0 0
- 2.3574 0.2568 0.0008 C 0 0 0
- -1.2421 -1.8897 -0.0060 C 0 0 0
- 1.2419 -1.8901 -0.0007 C 0 0 0
- -2.3825 -1.1392 0.0044 C 0 0 0
- 2.3820 -1.1400 0.0026 C 0 0 0
- -0.6786 3.4230 0.0000 H 0 0 0
- -1.8028 2.5653 0.0000 H 0 0 0
- -3.2568 0.7943 0.0000 H 0 0 0
- 1.8035 2.5651 0.0000 H 0 0 0
- 0.6794 3.4230 0.0000 H 0 0 0
- 3.2569 0.7937 0.0000 H 0 0 0
- -1.2925 -2.9361 0.0000 H 0 0 0
- 1.2922 -2.9365 0.0000 H 0 0 0
- -3.3091 -1.6280 0.0000 H 0 0 0
- 3.3085 -1.6290 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 6 11 2 0
- 8 12 1 0
- 5 7 1 0
- 9 11 1 0
- 10 12 2 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 1.1970 0.2387 -0.0010 C 0 0 0
- -0.2262 0.5954 0.0000 C 0 0 0
- 2.2498 1.1120 -0.0001 C 0 0 0
- 1.7097 -1.0190 0.0028 N 0 0 0
- -1.1673 -0.3767 -0.0011 C 0 0 0
- 3.3827 0.3592 -0.0016 N 0 0 0
- 3.0094 -0.9471 0.0004 C 0 0 0
- -2.5399 -0.0326 -0.0001 C 0 0 0
- -3.4787 -1.0023 -0.0013 O 0 0 0
- -2.8739 1.1375 0.0017 O 0 0 0
- -0.5058 1.5751 0.0000 H 0 0 0
- 2.1958 2.1294 0.0000 H 0 0 0
- -0.8877 -1.3564 0.0000 H 0 0 0
- 4.3387 0.7114 0.0000 H 0 0 0
- 3.6451 -1.7432 0.0000 H 0 0 0
- -4.1873 -1.7343 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 6 7 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10048-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.2123 -0.3121 -0.0998 C 0 0 0
- -1.5821 -0.3098 0.1417 C 0 0 0
- 0.4525 0.9249 -0.1364 C 0 0 0
- 0.3991 -1.4830 -0.3121 O 0 0 0
- -2.2877 0.8724 0.3024 C 0 0 0
- -2.5666 -1.4512 0.2947 C 0 0 0
- -0.2526 2.1239 0.0095 C 0 0 0
- 1.9187 0.9205 -0.3093 C 0 0 0
- 1.7135 -1.5302 -0.0700 C 0 0 0
- -3.6108 0.6319 0.5092 O 0 0 0
- -1.6153 2.0953 0.2321 C 0 0 0
- -3.7963 -0.7285 0.9291 C 0 0 0
- -3.1045 -1.8163 -1.0761 C 0 0 0
- 0.3998 3.3110 -0.0678 O 0 0 0
- 2.5449 -0.4008 -0.0849 C 0 0 0
- 2.5549 1.9146 -0.6100 O 0 0 0
- 2.2957 -2.7687 0.2093 C 0 0 0
- -4.8817 -1.2914 0.1677 O 0 0 0
- -4.4123 -1.6864 -1.0366 C 0 0 0
- -0.5805 4.3339 0.1189 C 0 0 0
- 3.9231 -0.5157 0.1147 C 0 0 0
- 3.6515 -2.8739 0.4309 C 0 0 0
- 4.4720 -1.7609 0.3782 C 0 0 0
- 4.7173 0.5825 0.0516 O 0 0 0
- -1.8836 -2.2180 0.0000 H 0 0 0
- -2.1472 2.9737 0.0000 H 0 0 0
- -4.6356 -0.1369 0.0000 H 0 0 0
- -2.8518 -2.8116 0.0000 H 0 0 0
- 1.7122 -3.6137 0.0000 H 0 0 0
- -4.8115 -2.6325 0.0000 H 0 0 0
- 0.1609 5.0444 0.0000 H 0 0 0
- -1.2910 5.0753 0.0000 H 0 0 0
- -1.3219 3.6234 0.0000 H 0 0 0
- 4.0787 -3.8077 0.0000 H 0 0 0
- 5.4927 -1.8737 0.0000 H 0 0 0
- 5.3190 1.4146 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 2 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 2 0
- 17 22 1 0
- 21 23 1 0
- 21 24 1 0
- 7 11 1 0
- 9 15 1 0
- 10 12 1 0
- 18 19 1 0
- 22 23 2 0
- 6 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 17 29 1 0
- 19 30 1 0
- 20 31 1 0
- 20 32 1 0
- 20 33 1 0
- 22 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135-88-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -2.0416 0.3461 0.4987 C 0 0 0
- -2.4817 -0.5875 -0.4734 C 0 0 0
- -0.7400 0.2431 1.0147 C 0 0 0
- -2.9193 1.3552 0.9326 C 0 0 0
- -1.6096 -1.6015 -0.9060 C 0 0 0
- -3.7854 -0.4820 -0.9877 C 0 0 0
- 0.0891 -0.7632 0.5687 C 0 0 0
- -4.1763 1.4226 0.4155 C 0 0 0
- -0.3540 -1.6807 -0.3915 C 0 0 0
- -4.6054 0.5111 -0.5476 C 0 0 0
- 1.3846 -0.8685 1.0794 N 0 0 0
- 2.4474 -0.2434 0.4225 C 0 0 0
- 3.7534 -0.4742 0.8353 C 0 0 0
- 2.2007 0.6062 -0.6490 C 0 0 0
- 4.8018 0.1452 0.1834 C 0 0 0
- 3.2534 1.2220 -1.2963 C 0 0 0
- 4.5524 0.9941 -0.8792 C 0 0 0
- -0.3038 1.0804 0.0000 H 0 0 0
- -2.5050 2.2036 0.0000 H 0 0 0
- -2.0302 -2.4467 0.0000 H 0 0 0
- -4.2219 -1.3191 0.0000 H 0 0 0
- -4.6606 2.2330 0.0000 H 0 0 0
- 0.1224 -2.4958 0.0000 H 0 0 0
- -5.5421 0.3933 0.0000 H 0 0 0
- 1.5955 -1.7887 0.0000 H 0 0 0
- 3.9218 -1.4032 0.0000 H 0 0 0
- 1.3238 0.9559 0.0000 H 0 0 0
- 5.6801 -0.2012 0.0000 H 0 0 0
- 3.0864 2.1512 0.0000 H 0 0 0
- 5.1815 1.6980 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 7 9 2 0
- 8 10 1 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15687-27-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -1.0760 -0.6620 0.0365 C 0 0 0
- -2.5708 -0.6927 0.2255 C 0 0 0
- -0.2492 -1.2620 0.9676 C 0 0 0
- -0.5319 -0.0386 -1.0711 C 0 0 0
- -3.0950 0.7174 0.3136 C 0 0 0
- -3.2205 -1.4050 -0.9625 C 0 0 0
- 1.1221 -1.2338 0.7942 C 0 0 0
- 0.8390 -0.0105 -1.2445 C 0 0 0
- -4.4085 0.9358 0.4834 O 0 0 0
- -2.3330 1.6515 0.2313 O 0 0 0
- 1.6663 -0.6056 -0.3101 C 0 0 0
- 3.1611 -0.5749 -0.4991 C 0 0 0
- 3.7509 0.5962 0.2894 C 0 0 0
- 4.8765 0.0877 1.1923 C 0 0 0
- 4.3084 1.6369 -0.6838 C 0 0 0
- -2.1881 -1.5363 0.0000 H 0 0 0
- -0.5261 -2.1460 0.0000 H 0 0 0
- -0.9238 0.8008 0.0000 H 0 0 0
- -3.9049 -0.7807 0.0000 H 0 0 0
- -3.8448 -2.0894 0.0000 H 0 0 0
- -2.5361 -2.0293 0.0000 H 0 0 0
- 1.5156 -2.0724 0.0000 H 0 0 0
- 1.1141 0.8741 0.0000 H 0 0 0
- -5.3223 1.0877 0.0000 H 0 0 0
- 3.0302 -1.4919 0.0000 H 0 0 0
- 4.0449 -0.8524 0.0000 H 0 0 0
- 2.9289 1.0233 0.0000 H 0 0 0
- 4.4951 -0.7565 0.0000 H 0 0 0
- 5.7207 -0.2937 0.0000 H 0 0 0
- 5.2579 0.9319 0.0000 H 0 0 0
- 5.1250 1.1995 0.0000 H 0 0 0
- 4.7458 2.4535 0.0000 H 0 0 0
- 3.4918 2.0743 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 7 11 2 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 8 11 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-31430-15-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -1.1737 -0.7326 0.1261 C 0 0 0
- -1.4173 -1.7238 -0.8425 C 0 0 0
- 0.0988 -0.6117 0.6806 C 0 0 0
- -2.3399 -0.0586 0.3097 N 0 0 0
- -2.7461 -1.5959 -1.1957 N 0 0 0
- -0.3947 -2.5761 -1.2424 C 0 0 0
- 1.1121 -1.4742 0.2679 C 0 0 0
- -3.2633 -0.5625 -0.4680 C 0 0 0
- 0.8509 -2.4562 -0.6977 C 0 0 0
- 2.4632 -1.3542 0.8491 C 0 0 0
- -4.5721 -0.1174 -0.5390 N 0 0 0
- 3.3640 -0.2715 0.4060 C 0 0 0
- 2.8346 -2.1470 1.6929 O 0 0 0
- -4.9508 0.9753 0.1532 C 0 0 0
- 4.5852 -0.0659 1.0538 C 0 0 0
- 3.0014 0.5477 -0.6662 C 0 0 0
- -6.1939 1.4697 0.0032 O 0 0 0
- -4.1702 1.5141 0.9125 O 0 0 0
- 5.4221 0.9457 0.6357 C 0 0 0
- 3.8464 1.5565 -1.0758 C 0 0 0
- -6.6019 2.6469 0.7488 C 0 0 0
- 5.0545 1.7592 -0.4259 C 0 0 0
- 5.8789 2.7496 -0.8317 F 0 0 0
- 0.3808 0.2834 0.0000 H 0 0 0
- -3.2771 -2.3698 0.0000 H 0 0 0
- -0.6715 -3.4729 0.0000 H 0 0 0
- 1.4579 -3.1720 0.0000 H 0 0 0
- -5.2338 -0.7830 0.0000 H 0 0 0
- 5.0541 -0.8789 0.0000 H 0 0 0
- 2.0721 0.6789 0.0000 H 0 0 0
- 6.3523 0.8209 0.0000 H 0 0 0
- 3.3802 2.3710 0.0000 H 0 0 0
- -5.7151 2.9542 0.0000 H 0 0 0
- -6.9092 3.5337 0.0000 H 0 0 0
- -7.4887 2.3396 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 14 17 1 0
- 14 18 2 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 19 22 1 0
- 22 23 1 0
- 5 8 1 0
- 7 9 1 0
- 20 22 2 0
- 3 24 1 0
- 5 25 1 0
- 6 26 1 0
- 9 27 1 0
- 11 28 1 0
- 15 29 1 0
- 16 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-530-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -2.2350 -0.7378 0.5685 C 0 0 0
- -3.0632 0.3111 0.1374 C 0 0 0
- -0.9558 -0.4695 1.0381 N 0 0 0
- -2.7045 -2.0451 0.5280 C 0 0 0
- -4.3485 0.0266 -0.3330 C 0 0 0
- -2.5809 1.7022 0.1810 C 0 0 0
- 0.1053 -0.3378 0.1386 C 0 0 0
- -3.9775 -2.3083 0.0664 C 0 0 0
- -4.7935 -1.2763 -0.3707 C 0 0 0
- -3.4200 2.7158 -0.1103 O 0 0 0
- -1.4263 1.9359 0.4796 O 0 0 0
- 1.4099 -0.2552 0.6084 C 0 0 0
- -0.1416 -0.2948 -1.2280 C 0 0 0
- 2.4564 -0.1250 -0.2836 C 0 0 0
- 0.9093 -0.1645 -2.1141 C 0 0 0
- 2.2067 -0.0768 -1.6426 C 0 0 0
- 3.8721 -0.0348 0.2252 C 0 0 0
- 4.7495 0.0911 -0.8572 F 0 0 0
- 3.9976 1.0811 1.0595 F 0 0 0
- 4.1834 -1.1930 0.9455 F 0 0 0
- -1.1161 0.4925 0.0000 H 0 0 0
- -2.0651 -2.7816 0.0000 H 0 0 0
- -4.9987 0.7535 0.0000 H 0 0 0
- -4.3109 -3.2248 0.0000 H 0 0 0
- -5.7547 -1.4413 0.0000 H 0 0 0
- -4.0419 3.4670 0.0000 H 0 0 0
- 1.5010 -1.2262 0.0000 H 0 0 0
- -1.1166 -0.2709 0.0000 H 0 0 0
- 0.8164 0.8063 0.0000 H 0 0 0
- 2.2667 0.8966 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 17 20 1 0
- 8 9 1 0
- 15 16 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-133-07-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.3945 0.0027 -0.8511 N 0 0 0
- 1.1105 -1.1074 -0.5969 C 0 0 0
- 1.1129 1.1109 -0.5952 C 0 0 0
- -1.1636 0.0048 -1.4119 S 0 0 0
- 2.4505 -0.7048 -0.1202 C 0 0 0
- 0.7210 -2.2493 -0.7355 O 0 0 0
- 2.4520 0.7047 -0.1191 C 0 0 0
- 0.7261 2.2539 -0.7326 O 0 0 0
- -2.0650 -0.0002 0.1622 C 0 0 0
- 3.5825 -1.3954 0.2820 C 0 0 0
- 3.5856 1.3923 0.2839 C 0 0 0
- -1.6259 1.4688 1.1110 Cl 0 0 0
- -3.8388 0.0012 -0.1609 Cl 0 0 0
- -1.6264 -1.4755 1.1013 Cl 0 0 0
- 4.7090 -0.6942 0.6829 C 0 0 0
- 4.7107 0.6881 0.6833 C 0 0 0
- 3.5870 -2.3909 0.0000 H 0 0 0
- 3.5926 2.3878 0.0000 H 0 0 0
- 5.5790 -1.1781 0.0000 H 0 0 0
- 5.5818 1.1699 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 5 7 2 0
- 15 16 1 0
- 10 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3328-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 79 1 V2000
- 3.0627 -0.6802 0.0886 C 0 0 2
- 1.7654 -0.2144 -0.5522 C 0 0 2
- 3.9661 0.5422 0.2733 C 0 0 1
- 3.7938 -1.7103 -0.7670 C 0 0 0
- 2.7594 -1.2967 1.4556 C 0 0 0
- 1.0216 0.6570 0.4734 C 0 0 2
- 0.8969 -1.3700 -1.0243 C 0 0 0
- 3.2263 1.6560 0.9378 C 0 0 0
- 5.2158 0.1255 1.0416 C 0 0 0
- 4.3806 0.9893 -1.0191 O 0 0 0
- 5.0681 -2.1403 -0.0310 C 0 0 0
- -0.2044 1.2072 -0.2191 C 0 0 1
- 1.9270 1.7141 1.0135 C 0 0 0
- -0.4304 -0.8425 -1.6047 C 0 0 0
- 5.9662 -0.9296 0.2209 C 0 0 2
- 5.2431 2.1593 -0.8072 O 0 0 0
- -1.1085 -0.0187 -0.5316 C 0 0 2
- -1.1384 2.0618 0.6450 C 0 0 0
- 7.1350 -1.3432 0.9316 O 0 0 0
- -2.4468 0.6145 -0.8925 C 0 0 2
- -1.2671 -0.8738 0.7272 C 0 0 0
- -2.5021 1.9377 -0.0883 C 0 0 0
- -3.5838 -0.3044 -0.4413 C 0 0 1
- -4.9065 0.4636 -0.4812 C 0 0 0
- -3.6664 -1.5113 -1.3781 C 0 0 0
- -6.0436 -0.4553 -0.0300 C 0 0 0
- -7.3663 0.3127 -0.0700 C 0 0 0
- -8.5034 -0.6062 0.3812 C 0 0 0
- -8.2352 -1.0861 1.8091 C 0 0 0
- -9.8260 0.1618 0.3413 C 0 0 0
- 2.3387 0.6155 0.0000 H 0 0 0
- 2.8311 -2.0113 0.0000 H 0 0 0
- 3.7825 -2.7189 0.0000 H 0 0 0
- 1.8543 -0.8514 0.0000 H 0 0 0
- 2.3141 -2.2018 0.0000 H 0 0 0
- 3.6645 -1.7420 0.0000 H 0 0 0
- 0.4168 -0.1502 0.0000 H 0 0 0
- 0.4428 -2.2707 0.0000 H 0 0 0
- 1.7538 -1.9022 0.0000 H 0 0 0
- 3.7227 2.5340 0.0000 H 0 0 0
- 6.1780 0.4283 0.0000 H 0 0 0
- 5.2244 1.1341 0.0000 H 0 0 0
- 4.6479 -3.0573 0.0000 H 0 0 0
- 5.9364 -2.6537 0.0000 H 0 0 0
- 0.3496 2.0501 0.0000 H 0 0 0
- 1.5259 2.6396 0.0000 H 0 0 0
- -1.3836 -1.1722 0.0000 H 0 0 0
- -0.4532 -1.8509 0.0000 H 0 0 0
- 6.5737 -0.1244 0.0000 H 0 0 0
- 5.8416 2.9712 0.0000 H 0 0 0
- -0.2966 2.6175 0.0000 H 0 0 0
- -1.4720 3.0137 0.0000 H 0 0 0
- 8.0859 -1.6797 0.0000 H 0 0 0
- -3.3659 1.0301 0.0000 H 0 0 0
- -2.2589 -0.6899 0.0000 H 0 0 0
- -1.4510 -1.8656 0.0000 H 0 0 0
- -0.2753 -1.0577 0.0000 H 0 0 0
- -2.5771 2.9436 0.0000 H 0 0 0
- -3.5091 1.8791 0.0000 H 0 0 0
- -2.6890 -0.7699 0.0000 H 0 0 0
- -4.2979 1.2680 0.0000 H 0 0 0
- -5.6310 1.1654 0.0000 H 0 0 0
- -4.6727 -1.4424 0.0000 H 0 0 0
- -3.7353 -2.5176 0.0000 H 0 0 0
- -2.6601 -1.5802 0.0000 H 0 0 0
- -6.6522 -1.2597 0.0000 H 0 0 0
- -5.3191 -1.1571 0.0000 H 0 0 0
- -6.7577 1.1171 0.0000 H 0 0 0
- -8.0908 1.0145 0.0000 H 0 0 0
- -9.2225 -1.3135 0.0000 H 0 0 0
- -9.1157 -1.5782 0.0000 H 0 0 0
- -7.7431 -1.9666 0.0000 H 0 0 0
- -7.3547 -0.5940 0.0000 H 0 0 0
- -9.3195 1.0341 0.0000 H 0 0 0
- -10.6983 0.6683 0.0000 H 0 0 0
- -10.3325 -0.7105 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 12 18 1 0
- 15 19 1 0
- 17 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 23 24 1 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 27 28 1 0
- 28 29 1 0
- 28 30 1 0
- 8 13 2 0
- 11 15 1 0
- 14 17 1 0
- 20 22 1 0
- 2 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 5 35 1 0
- 5 36 1 0
- 6 37 1 0
- 7 38 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 9 42 1 0
- 11 43 1 0
- 11 44 1 0
- 12 45 1 0
- 13 46 1 0
- 14 47 1 0
- 14 48 1 0
- 15 49 1 0
- 16 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 21 57 1 0
- 22 58 1 0
- 22 59 1 0
- 23 60 1 0
- 24 61 1 0
- 24 62 1 0
- 25 63 1 0
- 25 64 1 0
- 25 65 1 0
- 26 66 1 0
- 26 67 1 0
- 27 68 1 0
- 27 69 1 0
- 28 70 1 0
- 29 71 1 0
- 29 72 1 0
- 29 73 1 0
- 30 74 1 0
- 30 75 1 0
- 30 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-823-40-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.0002 -0.7315 -0.0014 C 0 0 0
- -1.2009 -0.0360 -0.0009 C 0 0 0
- 1.2010 -0.0362 -0.0005 C 0 0 0
- -0.0005 -2.2385 0.0035 C 0 0 0
- -1.1971 1.3539 0.0004 C 0 0 0
- -2.4119 -0.7318 -0.0012 N 0 0 0
- 1.1976 1.3533 0.0008 C 0 0 0
- 2.4118 -0.7324 -0.0015 N 0 0 0
- 0.0002 2.0429 0.0013 C 0 0 0
- -1.0426 -2.2383 0.0000 H 0 0 0
- -0.0007 -3.2806 0.0000 H 0 0 0
- 1.0416 -2.2387 0.0000 H 0 0 0
- -2.0985 1.8768 0.0000 H 0 0 0
- -3.3133 -0.2089 0.0000 H 0 0 0
- -2.4141 -1.7739 0.0000 H 0 0 0
- 2.0992 1.8760 0.0000 H 0 0 0
- 2.4136 -1.7745 0.0000 H 0 0 0
- 3.3134 -0.2097 0.0000 H 0 0 0
- 0.0004 3.0850 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.0000 -0.7956 -0.0039 C 0 0 0
- -1.2836 -0.0544 -0.0159 C 0 0 0
- 1.2837 -0.0545 0.0111 C 0 0 0
- -0.0001 -2.1376 -0.0010 C 0 0 0
- -2.2018 -0.2288 1.0185 C 0 0 0
- -1.5744 0.8242 -1.0590 C 0 0 0
- 2.2018 -0.2249 -1.0240 C 0 0 0
- 1.5746 0.8199 1.0577 C 0 0 0
- -1.5035 -3.0055 -0.0113 Cl 0 0 0
- 1.5032 -3.0057 0.0131 Cl 0 0 0
- -3.3951 0.4640 1.0027 C 0 0 0
- -2.7703 1.5120 -1.0651 C 0 0 0
- 3.3952 0.4678 -1.0054 C 0 0 0
- 2.7705 1.5075 1.0665 C 0 0 0
- -3.6811 1.3311 -0.0379 C 0 0 0
- 3.6813 1.3306 0.0386 C 0 0 0
- -5.1844 2.1992 -0.0519 Cl 0 0 0
- 5.1844 2.1990 0.0558 Cl 0 0 0
- -2.3760 -1.2486 0.0000 H 0 0 0
- -0.7727 1.4782 0.0000 H 0 0 0
- 2.3781 -1.2444 0.0000 H 0 0 0
- 0.7734 1.4745 0.0000 H 0 0 0
- -4.1985 -0.1879 0.0000 H 0 0 0
- -2.6025 2.5329 0.0000 H 0 0 0
- 4.1980 -0.1848 0.0000 H 0 0 0
- 2.6006 2.5281 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 12 15 1 0
- 14 16 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84174-24-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.6667 -0.6867 -0.6029 C 0 0 0
- 0.2152 -1.6614 -0.1741 C 0 0 0
- -0.2328 0.6158 -0.7629 C 0 0 0
- -2.0994 -1.0457 -0.9019 C 0 0 0
- 1.5306 -1.3332 0.0946 C 0 0 0
- 1.0831 0.9440 -0.4941 C 0 0 0
- -2.9843 -0.3367 0.0258 N 0 0 0
- 1.9647 -0.0303 -0.0654 C 0 0 0
- -3.3333 0.8808 -0.2191 N 0 0 0
- -3.4727 -1.0104 1.2315 C 0 0 0
- 3.3736 0.3210 0.2219 N 0 3 0
- -4.0690 1.4702 0.5522 O 0 0 0
- 3.7559 1.4688 0.0809 O 0 0 0
- 4.1505 -0.5378 0.5993 O 0 5 0
- -0.0718 -2.6044 0.0000 H 0 0 0
- -0.9024 1.3391 0.0000 H 0 0 0
- -2.8666 -1.6645 0.0000 H 0 0 0
- -1.6600 -1.9280 0.0000 H 0 0 0
- 2.2002 -2.0565 0.0000 H 0 0 0
- 1.3701 1.8869 0.0000 H 0 0 0
- -4.2707 -0.4319 0.0000 H 0 0 0
- -4.0512 -1.8084 0.0000 H 0 0 0
- -2.6747 -1.5889 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 2 0
- 11 13 2 0
- 11 14 1 0
- 6 8 2 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-479-27-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.2501 -2.2676 0.0012 N 0 0 0
- -1.2281 -0.8749 0.0018 C 0 0 0
- -0.0001 -0.1832 0.0012 C 0 0 0
- -2.4084 -0.1602 -0.0027 C 0 0 0
- -0.0003 1.2328 0.0014 C 0 0 0
- 1.2285 -0.8747 -0.0001 C 0 0 0
- -2.3967 1.2308 -0.0025 C 0 0 0
- 1.2239 1.9242 0.0003 C 0 0 0
- -1.2242 1.9237 0.0022 C 0 0 0
- 1.2509 -2.2674 -0.0008 N 0 0 0
- 2.4083 -0.1598 -0.0011 C 0 0 0
- 2.3961 1.2316 -0.0009 C 0 0 0
- -2.1629 -2.7756 0.0000 H 0 0 0
- -0.3538 -2.8042 0.0000 H 0 0 0
- -3.3206 -0.6692 0.0000 H 0 0 0
- -3.3019 1.7523 0.0000 H 0 0 0
- 1.2341 2.9688 0.0000 H 0 0 0
- -1.2346 2.9683 0.0000 H 0 0 0
- 0.3547 -2.8042 0.0000 H 0 0 0
- 2.1639 -2.7751 0.0000 H 0 0 0
- 3.3207 -0.6685 0.0000 H 0 0 0
- 3.3011 1.7533 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 1 0
- 11 6 2 0
- 12 8 2 0
- 7 9 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 4 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-201-06-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- -1.1026 0.1347 -0.0026 C 0 0 0
- -0.2269 -0.8124 -0.0027 C 0 0 0
- -0.8142 1.5678 -0.0025 C 0 0 0
- -2.5542 -0.0368 0.0039 C 0 0 0
- 1.1897 -0.4226 -0.0014 C 0 0 0
- -0.7250 -2.1968 -0.0047 C 0 0 0
- 0.4537 1.9137 -0.0029 C 0 0 0
- -2.1283 2.2224 -0.0009 C 0 0 0
- -3.1007 1.3254 0.0026 C 0 0 0
- -2.9992 -1.2739 0.0084 C 0 0 0
- 1.4970 0.8641 -0.0014 C 0 0 0
- 2.2504 -1.4402 0.0010 C 0 0 0
- -2.0342 -2.3926 -0.0044 C 0 0 0
- 2.9156 1.2665 0.0006 C 0 0 0
- 3.5152 -1.0752 0.0036 C 0 0 0
- 3.8638 0.3559 0.0034 C 0 0 0
- -0.0297 -3.0445 0.0000 H 0 0 0
- 0.7367 2.9729 0.0000 H 0 0 0
- -2.2829 3.3078 0.0000 H 0 0 0
- -4.1701 1.5669 0.0000 H 0 0 0
- -4.0772 -1.4737 0.0000 H 0 0 0
- 1.9878 -2.5047 0.0000 H 0 0 0
- -2.4156 -3.4205 0.0000 H 0 0 0
- 3.1809 2.3303 0.0000 H 0 0 0
- 4.3066 -1.8340 0.0000 H 0 0 0
- 4.9165 0.6624 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 11 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 11 1 0
- 8 9 2 0
- 10 13 1 0
- 15 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-31-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.0402 0.0000 0.3821 C 0 0 0
- 0.7635 -1.2491 -0.1255 C 0 0 0
- 0.7630 1.2494 -0.1255 C 0 0 0
- -1.3430 -0.0003 -0.1124 N 0 0 0
- -0.5008 0.9377 0.0000 H 0 0 0
- -0.1733 -1.7916 0.0000 H 0 0 0
- 1.3060 -2.1859 0.0000 H 0 0 0
- 1.7003 -0.7066 0.0000 H 0 0 0
- 1.7000 0.7073 0.0000 H 0 0 0
- 1.3051 2.1864 0.0000 H 0 0 0
- -0.1740 1.7915 0.0000 H 0 0 0
- -1.8845 0.9371 0.0000 H 0 0 0
- -1.8841 -0.9379 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134682-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 49 1 V2000
- -3.2046 -0.5559 0.0279 C 0 0 0
- -3.3260 0.8178 0.2199 C 0 0 0
- -1.9596 -1.1192 -0.1378 C 0 0 0
- -4.4128 -1.4107 0.0081 N 0 3 0
- -2.1906 1.6235 0.2447 C 0 0 0
- -4.5835 1.3862 0.3867 N 0 0 0
- -0.8207 -0.3079 -0.1124 C 0 0 0
- -4.3061 -2.6123 -0.1599 O 0 0 0
- -5.5139 -0.9124 0.1598 O 0 5 0
- -0.9524 1.0710 0.0810 C 0 0 0
- -4.5827 2.0334 1.7055 C 0 0 0
- -4.6974 2.4593 -0.6100 C 0 0 0
- 0.5152 -0.9046 -0.2892 C 0 0 0
- 1.6117 -0.1214 -0.2646 O 0 0 0
- 0.6281 -2.1028 -0.4572 O 0 0 0
- 2.9278 -0.7093 -0.4387 C 0 0 0
- 3.9904 0.3894 -0.3695 C 0 0 0
- 5.3772 -0.2301 -0.5530 C 0 0 0
- 3.7383 1.4131 -1.4783 C 0 0 0
- 6.2187 0.0232 0.6995 C 0 0 0
- 3.5846 2.8050 -0.8619 C 0 0 0
- 7.5666 -0.6872 0.5605 C 0 0 0
- 8.4081 -0.4339 1.8130 C 0 0 0
- -1.8594 -2.1486 0.0000 H 0 0 0
- -2.2925 2.6528 0.0000 H 0 0 0
- -0.1125 1.6746 0.0000 H 0 0 0
- -3.5484 2.0321 0.0000 H 0 0 0
- -4.5814 3.0677 0.0000 H 0 0 0
- -5.6170 2.0347 0.0000 H 0 0 0
- -3.6689 2.5685 0.0000 H 0 0 0
- -4.8066 3.4878 0.0000 H 0 0 0
- -5.7259 2.3501 0.0000 H 0 0 0
- 2.3993 -1.5984 0.0000 H 0 0 0
- 3.7496 -1.3373 0.0000 H 0 0 0
- 4.7841 1.0526 0.0000 H 0 0 0
- 4.7060 -1.0170 0.0000 H 0 0 0
- 5.9427 -1.0961 0.0000 H 0 0 0
- 2.7739 1.7869 0.0000 H 0 0 0
- 2.9616 0.7301 0.0000 H 0 0 0
- 6.9233 0.7803 0.0000 H 0 0 0
- 5.6721 0.9012 0.0000 H 0 0 0
- 4.6126 2.9185 0.0000 H 0 0 0
- 3.4711 3.8330 0.0000 H 0 0 0
- 2.5566 2.6915 0.0000 H 0 0 0
- 6.8620 -1.4443 0.0000 H 0 0 0
- 8.1132 -1.5652 0.0000 H 0 0 0
- 8.7062 -1.4243 0.0000 H 0 0 0
- 9.3985 -0.1358 0.0000 H 0 0 0
- 8.1100 0.5565 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 7 10 1 0
- 3 24 1 0
- 5 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 23 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82419-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 49 1 V2000
- 1.4970 -0.8929 0.0560 C 0 0 0
- 0.1549 -1.2831 0.0462 C 0 0 0
- 1.8312 0.4666 0.0150 C 0 0 0
- 2.5045 -1.8364 0.1183 N 0 0 0
- -0.8420 -0.3129 0.0128 C 0 0 0
- -0.1978 -2.5925 0.0529 O 0 0 0
- 0.8144 1.4450 -0.0219 C 0 0 0
- 3.2528 0.8428 0.0078 C 0 0 0
- 2.1211 -3.2526 0.2198 C 0 0 0
- 3.8102 -1.4839 0.0941 C 0 0 0
- -2.1843 -0.7026 0.0126 N 0 0 0
- -0.5192 1.0414 -0.0210 C 0 0 0
- 0.7288 -3.3145 0.8590 C 0 0 0
- 1.1592 2.8757 -0.0608 C 0 0 0
- 4.2120 -0.1962 0.0416 C 0 0 0
- 3.5942 2.0143 -0.0267 O 0 0 0
- 2.0675 -3.8680 -1.1799 C 0 0 0
- -2.7936 -0.1164 -1.1875 C 0 0 0
- -2.8122 -0.0532 1.1699 C 0 0 0
- -1.5027 1.9672 -0.0525 F 0 0 0
- 1.3075 3.5648 1.0881 O 0 0 0
- 1.3101 3.4355 -1.1290 O 0 0 0
- -4.2963 -0.3995 -1.1918 C 0 0 0
- -4.3149 -0.3362 1.1656 C 0 0 0
- -4.9242 0.2499 -0.0346 N 0 0 0
- -6.3350 -0.1596 -0.0347 C 0 0 0
- 3.1484 -3.4349 0.0000 H 0 0 0
- 4.5335 -2.2358 0.0000 H 0 0 0
- -0.1199 -3.9213 0.0000 H 0 0 0
- 1.0694 -4.3006 0.0000 H 0 0 0
- 5.2298 0.0330 0.0000 H 0 0 0
- 1.0281 -3.7775 0.0000 H 0 0 0
- 1.9770 -4.9074 0.0000 H 0 0 0
- 3.1069 -3.9585 0.0000 H 0 0 0
- -1.9317 0.4714 0.0000 H 0 0 0
- -3.1925 0.8476 0.0000 H 0 0 0
- -1.9363 0.5137 0.0000 H 0 0 0
- -3.1995 0.9156 0.0000 H 0 0 0
- 1.5270 4.5848 0.0000 H 0 0 0
- -5.1721 -0.9664 0.0000 H 0 0 0
- -3.9090 -1.3683 0.0000 H 0 0 0
- -5.1768 -0.9241 0.0000 H 0 0 0
- -3.9160 -1.3002 0.0000 H 0 0 0
- -6.6258 0.8424 0.0000 H 0 0 0
- -7.3370 -0.4504 0.0000 H 0 0 0
- -6.0442 -1.1616 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 14 22 2 0
- 18 23 1 0
- 19 24 1 0
- 23 25 1 0
- 25 26 1 0
- 7 12 2 0
- 9 13 1 0
- 10 15 2 0
- 24 25 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 21 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 26 44 1 0
- 26 45 1 0
- 26 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-99-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.2095 -0.2645 -0.4804 C 0 0 0
- -0.9094 -1.2926 -0.2238 C 0 0 0
- -0.2581 1.0056 0.0037 O 0 0 0
- 1.4652 -0.6738 0.2921 C 0 0 0
- -2.0556 -0.4586 0.3984 C 0 0 0
- -1.7000 0.9775 -0.0636 C 0 0 0
- 2.5027 0.2795 0.0542 O 0 0 0
- 0.9470 0.5013 0.0000 H 0 0 0
- -1.5904 -2.1090 0.0000 H 0 0 0
- -0.1399 -2.0261 0.0000 H 0 0 0
- 0.9687 -1.6139 0.0000 H 0 0 0
- 2.3071 -1.3229 0.0000 H 0 0 0
- -3.0462 -0.0727 0.0000 H 0 0 0
- -2.5655 -1.3915 0.0000 H 0 0 0
- -1.6278 2.0382 0.0000 H 0 0 0
- -2.7503 1.1420 0.0000 H 0 0 0
- 3.2855 0.9988 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 6 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-513-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.6799 0.3638 -0.3713 C 0 0 0
- -0.7368 -0.0306 -0.0421 C 0 0 0
- 1.2179 1.2913 0.7201 C 0 0 0
- 1.4953 -0.8074 -0.4456 O 0 0 0
- -1.8869 0.8069 -0.5390 C 0 0 0
- -0.9505 -1.0177 0.6199 O 0 0 0
- 0.0271 1.2078 0.0000 H 0 0 0
- 2.1409 0.7559 0.0000 H 0 0 0
- 1.7533 2.2143 0.0000 H 0 0 0
- 0.2949 1.8267 0.0000 H 0 0 0
- 2.1050 -1.6831 0.0000 H 0 0 0
- -1.2588 1.6695 0.0000 H 0 0 0
- -2.7495 1.4350 0.0000 H 0 0 0
- -2.5150 -0.0557 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2058-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.0754 0.5601 0.0127 C 0 0 0
- 0.1235 -0.8321 0.0014 C 0 0 0
- 1.0198 1.4193 0.0156 C 0 0 0
- -1.4499 1.1103 0.0152 C 0 0 0
- -1.0327 -1.7443 -0.0033 C 0 0 0
- 1.4270 -1.3477 -0.0059 C 0 0 0
- 2.3062 0.9127 0.0080 C 0 0 0
- 0.8059 2.8839 0.0275 N 0 3 0
- -2.6089 0.1945 0.0059 C 0 0 0
- -1.6242 2.3125 0.0254 O 0 0 0
- -2.4058 -1.1971 0.0044 C 0 0 0
- -0.8577 -2.9474 -0.0139 O 0 0 0
- 2.5224 -0.4646 -0.0018 C 0 0 0
- 1.6344 -2.7116 -0.0165 N 0 0 0
- 0.1214 3.4064 -0.8339 O 0 0 0
- 1.3143 3.5666 0.8988 O 0 5 0
- -3.9056 0.7021 0.0086 C 0 0 0
- -3.5029 -2.0534 0.0000 C 0 0 0
- 3.8987 -0.9956 -0.0089 C 0 0 0
- -4.9848 -0.1636 0.0003 C 0 0 0
- -4.7849 -1.5322 0.0072 C 0 0 0
- 4.6804 -0.8266 -1.0934 O 0 0 0
- 4.3273 -1.5853 0.9629 O 0 0 0
- 3.1208 1.5656 0.0000 H 0 0 0
- 0.8190 -3.3636 0.0000 H 0 0 0
- 2.6067 -3.0917 0.0000 H 0 0 0
- -4.0631 1.7342 0.0000 H 0 0 0
- -3.3590 -3.0874 0.0000 H 0 0 0
- -5.9563 0.2186 0.0000 H 0 0 0
- -5.6065 -2.1763 0.0000 H 0 0 0
- 5.7008 -0.6060 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 8 15 2 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 13 19 1 0
- 17 20 2 0
- 18 21 2 0
- 19 22 1 0
- 19 23 2 0
- 7 13 1 0
- 9 11 2 0
- 20 21 1 0
- 7 24 1 0
- 14 25 1 0
- 14 26 1 0
- 17 27 1 0
- 18 28 1 0
- 20 29 1 0
- 21 30 1 0
- 22 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33704-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 38 1 V2000
- -0.4968 0.2473 0.0325 C 0 0 0
- 0.0872 -0.9593 0.0131 C 0 0 0
- 0.5218 1.3363 0.2276 C 0 0 0
- -1.9516 0.4092 -0.1285 C 0 0 0
- 1.5784 -0.8201 0.1945 C 0 0 0
- -0.6746 -2.2512 -0.1668 C 0 0 0
- 1.8804 0.6691 -0.0914 C 0 0 0
- 0.2566 2.4927 -0.7384 C 0 0 0
- 0.4993 1.8336 1.6743 C 0 0 0
- -2.7045 -0.8303 -0.5814 C 0 0 0
- -2.5124 1.4634 0.0868 O 0 0 0
- 1.9749 -1.1769 1.6285 C 0 0 0
- 2.3207 -1.7154 -0.7996 C 0 0 0
- -2.1451 -2.0330 0.1968 C 0 0 0
- 2.2004 0.8486 -1.5767 C 0 0 0
- -0.9596 -3.2582 0.0000 H 0 0 0
- 0.2876 -2.6629 0.0000 H 0 0 0
- 2.7261 0.0527 0.0000 H 0 0 0
- 1.2767 2.7266 0.0000 H 0 0 0
- 0.0227 3.5128 0.0000 H 0 0 0
- -0.7635 2.2588 0.0000 H 0 0 0
- 1.5448 1.8809 0.0000 H 0 0 0
- 0.4520 2.8791 0.0000 H 0 0 0
- -0.5462 1.7863 0.0000 H 0 0 0
- -3.4756 -0.1228 0.0000 H 0 0 0
- -3.5490 -1.4484 0.0000 H 0 0 0
- 1.2749 -1.9548 0.0000 H 0 0 0
- 2.7528 -1.8769 0.0000 H 0 0 0
- 2.6749 -0.3990 0.0000 H 0 0 0
- 1.5151 -2.3834 0.0000 H 0 0 0
- 2.9887 -2.5210 0.0000 H 0 0 0
- 3.1263 -1.0474 0.0000 H 0 0 0
- -3.1614 -2.2829 0.0000 H 0 0 0
- -2.0960 -3.0784 0.0000 H 0 0 0
- 2.7124 -0.0641 0.0000 H 0 0 0
- 3.1131 1.3606 0.0000 H 0 0 0
- 1.6884 1.7613 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 5 7 1 0
- 10 14 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 15 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33389-33-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.6256 -0.0783 -0.5744 C 0 0 0
- -0.8133 -0.0628 -0.1269 C 0 0 0
- 1.3751 0.9540 0.1521 N 0 0 0
- 1.2018 -1.3981 -0.3180 N 0 0 0
- -2.2877 0.2241 -1.0918 S 0 0 0
- -1.3244 -0.2690 1.1115 C 0 0 0
- 2.7642 0.9037 0.1321 C 0 0 0
- 2.5203 -1.5502 -0.0755 C 0 0 0
- -3.4849 0.0570 0.2220 C 0 0 0
- -2.6936 -0.2064 1.2906 C 0 0 0
- 3.3791 -0.3554 0.0116 C 0 0 0
- 3.5406 2.0457 0.2255 C 0 0 0
- 2.9947 -2.6604 0.0699 O 0 0 0
- -4.9595 0.1722 0.1598 N 0 3 0
- 4.7683 -0.4471 -0.0177 C 0 0 0
- 4.9181 1.9401 0.1968 C 0 0 0
- -5.6249 0.0259 1.1695 O 0 0 0
- -5.5073 0.4131 -0.9010 O 0 5 0
- 5.5275 0.7011 0.0751 C 0 0 0
- 0.1603 0.8468 0.0000 H 0 0 0
- 0.9216 1.8850 0.0000 H 0 0 0
- 0.5859 -2.2306 0.0000 H 0 0 0
- -1.1503 -1.2898 0.0000 H 0 0 0
- -2.8826 -1.2246 0.0000 H 0 0 0
- 3.0915 2.9788 0.0000 H 0 0 0
- 5.2283 -1.3749 0.0000 H 0 0 0
- 5.4986 2.7976 0.0000 H 0 0 0
- 6.5610 0.6353 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 2 0
- 14 18 1 0
- 15 19 2 0
- 8 11 1 0
- 9 10 2 0
- 16 19 1 0
- 1 20 1 0
- 3 21 1 0
- 4 22 1 0
- 6 23 1 0
- 10 24 1 0
- 12 25 1 0
- 15 26 1 0
- 16 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7085-55-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 94 98 1 V2000
- -2.3514 0.9096 -0.1649 C 0 0 0
- -2.2693 -0.0228 -1.1551 C 0 0 0
- -1.1815 1.7666 0.1022 C 0 0 0
- -3.4612 1.0809 0.5736 O 0 0 0
- -3.3867 -0.8548 -1.4246 C 0 0 0
- -1.1247 -0.1554 -1.8793 O 0 0 0
- -0.5972 2.4984 -0.9360 C 0 0 0
- -0.6576 1.8536 1.3946 C 0 0 0
- -4.5738 0.3405 0.3866 C 0 0 0
- -4.5916 -0.6578 -0.6030 C 0 0 0
- -3.3498 -1.7012 -2.3035 O 0 0 0
- -0.4056 -1.2551 -1.3176 C 0 0 2
- 0.4986 3.2996 -0.6802 C 0 0 0
- 0.4364 2.6554 1.6422 C 0 0 0
- -5.7009 0.5448 1.1683 C 0 0 0
- -5.7408 -1.4348 -0.8002 C 0 0 0
- 0.1172 -0.8808 -0.0445 O 0 0 0
- 0.7400 -1.6469 -2.2536 C 0 0 1
- 1.0195 3.3771 0.6106 C 0 0 0
- 1.0697 4.0124 -1.6878 O 0 0 0
- -6.8356 -0.2241 0.9642 C 0 0 0
- -6.8525 -1.2193 -0.0077 C 0 0 0
- -5.7623 -2.3917 -1.7625 O 0 0 0
- 0.6653 -2.0516 0.5582 C 0 0 1
- 1.4814 -2.8498 -1.6593 C 0 0 2
- 0.2104 -1.9987 -3.5334 O 0 0 0
- 2.0975 4.1658 0.8601 O 0 0 0
- 1.9313 3.1155 -2.3915 C 0 0 0
- -7.9347 -0.0177 1.7339 O 0 0 0
- 1.8986 -2.5085 -0.2243 C 0 0 1
- 1.0635 -1.7428 2.0028 C 0 0 0
- 2.6455 -3.1255 -2.4410 O 0 0 0
- 3.2558 3.3440 0.7024 C 0 0 0
- 2.6089 3.8587 -3.5445 C 0 0 0
- -8.9273 -0.9470 1.2942 C 0 0 0
- 2.8653 -1.4563 -0.2468 O 0 0 0
- -0.1100 -1.4786 2.7743 O 0 0 0
- 4.5038 4.1434 1.0823 C 0 0 0
- 3.3759 4.9466 -3.0247 O 0 0 0
- -10.1989 -0.7663 2.1256 C 0 0 0
- 3.9703 -1.8936 0.5468 C 0 0 2
- 4.4020 4.5670 2.4433 O 0 0 0
- -10.6888 0.5662 1.9633 O 0 0 0
- 4.8835 -0.7035 0.8495 C 0 0 2
- 4.6990 -2.8935 -0.1629 O 0 0 0
- 6.0450 -1.1768 1.7309 C 0 0 1
- 4.1409 0.3031 1.5403 O 0 0 0
- 5.6751 -3.4301 0.7280 C 0 0 2
- 6.7278 -2.3658 1.0456 C 0 0 2
- 6.9864 -0.1135 1.8897 O 0 0 0
- 6.3514 -4.6378 0.0761 C 0 0 0
- 7.7142 -2.9174 1.9202 O 0 0 0
- -1.2350 3.1639 0.0000 H 0 0 0
- -0.2999 1.0040 0.0000 H 0 0 0
- -0.9712 -1.9830 0.0000 H 0 0 0
- 1.0727 1.9884 0.0000 H 0 0 0
- -5.8914 1.4467 0.0000 H 0 0 0
- 1.3153 -0.9267 0.0000 H 0 0 0
- -7.5686 -1.7998 0.0000 H 0 0 0
- -5.7830 -3.3133 0.0000 H 0 0 0
- 0.0411 -2.7299 0.0000 H 0 0 0
- 0.9417 -3.5971 0.0000 H 0 0 0
- -0.5574 -2.5088 0.0000 H 0 0 0
- 1.2808 2.4624 0.0000 H 0 0 0
- 2.5986 2.4796 0.0000 H 0 0 0
- 2.5314 -3.1788 0.0000 H 0 0 0
- 1.7795 -2.3233 0.0000 H 0 0 0
- 1.4656 -0.9133 0.0000 H 0 0 0
- 3.5425 -3.3379 0.0000 H 0 0 0
- 2.6308 2.6664 0.0000 H 0 0 0
- 3.8480 2.6376 0.0000 H 0 0 0
- 2.9247 2.9927 0.0000 H 0 0 0
- 3.5227 3.7372 0.0000 H 0 0 0
- -9.2580 -1.8075 0.0000 H 0 0 0
- -8.1627 -1.4618 0.0000 H 0 0 0
- -1.0093 -1.2761 0.0000 H 0 0 0
- 4.9117 3.3168 0.0000 H 0 0 0
- 5.3706 4.4570 0.0000 H 0 0 0
- 3.9071 5.7000 0.0000 H 0 0 0
- -11.1045 -0.9384 0.0000 H 0 0 0
- -10.1774 -1.6879 0.0000 H 0 0 0
- 3.4059 -2.6224 0.0000 H 0 0 0
- 4.1866 5.4633 0.0000 H 0 0 0
- -11.0069 1.4314 0.0000 H 0 0 0
- 5.4495 0.0241 0.0000 H 0 0 0
- 5.4384 -1.8709 0.0000 H 0 0 0
- 3.5937 1.0449 0.0000 H 0 0 0
- 5.0258 -4.0845 0.0000 H 0 0 0
- 7.3759 -1.7103 0.0000 H 0 0 0
- 7.5975 0.5767 0.0000 H 0 0 0
- 5.5471 -5.0882 0.0000 H 0 0 0
- 6.8018 -5.4421 0.0000 H 0 0 0
- 7.1557 -4.1874 0.0000 H 0 0 0
- 8.5188 -3.3673 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 12 6 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 15 21 2 0
- 16 22 2 0
- 16 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 1 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 24 30 1 0
- 24 31 1 0
- 25 32 1 0
- 27 33 1 0
- 28 34 1 0
- 29 35 1 0
- 30 36 1 0
- 31 37 1 0
- 33 38 1 0
- 34 39 1 0
- 35 40 1 0
- 41 36 1 0
- 38 42 1 0
- 40 43 1 0
- 41 44 1 0
- 41 45 1 0
- 44 46 1 0
- 44 47 1 0
- 45 48 1 0
- 46 49 1 0
- 46 50 1 0
- 48 51 1 0
- 49 52 1 0
- 9 10 2 0
- 14 19 2 0
- 21 22 1 0
- 25 30 1 0
- 48 49 1 0
- 7 53 1 0
- 8 54 1 0
- 12 55 1 0
- 14 56 1 0
- 15 57 1 0
- 18 58 1 0
- 22 59 1 0
- 23 60 1 0
- 24 61 1 0
- 25 62 1 0
- 26 63 1 0
- 28 64 1 0
- 28 65 1 0
- 30 66 1 0
- 31 67 1 0
- 31 68 1 0
- 32 69 1 0
- 33 70 1 0
- 33 71 1 0
- 34 72 1 0
- 34 73 1 0
- 35 74 1 0
- 35 75 1 0
- 37 76 1 0
- 38 77 1 0
- 38 78 1 0
- 39 79 1 0
- 40 80 1 0
- 40 81 1 0
- 41 82 1 0
- 42 83 1 0
- 43 84 1 0
- 44 85 1 0
- 46 86 1 0
- 47 87 1 0
- 48 88 1 0
- 49 89 1 0
- 50 90 1 0
- 51 91 1 0
- 51 92 1 0
- 51 93 1 0
- 52 94 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84434-45-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.1112 0.0160 -0.0014 C 0 0 0
- -0.1907 0.4132 -0.0013 N 0 0 0
- 2.1419 0.9737 -0.0011 C 0 0 0
- 1.4303 -1.3467 0.0041 C 0 0 0
- -1.1336 -0.4672 -0.0015 N 0 0 0
- 3.4634 0.5570 -0.0007 C 0 0 0
- 1.8362 2.3307 -0.0017 N 0 0 0
- 2.7364 -1.7442 0.0045 C 0 0 0
- -2.4415 -0.0683 -0.0014 C 0 0 0
- 3.7613 -0.7996 -0.0006 C 0 0 0
- 4.5755 1.5740 -0.0009 C 0 0 0
- -3.4654 -1.0189 -0.0017 C 0 0 0
- -2.7606 1.2923 0.0047 C 0 0 0
- 5.0894 -1.2176 -0.0002 N 0 0 0
- -4.7824 -0.6091 -0.0017 C 0 0 0
- -3.1316 -2.4885 -0.0016 C 0 0 0
- -4.0818 1.6872 0.0047 C 0 0 0
- -5.0907 0.7398 -0.0014 C 0 0 0
- 0.6700 -2.0588 0.0000 H 0 0 0
- 2.6018 3.0371 0.0000 H 0 0 0
- 0.8417 2.6406 0.0000 H 0 0 0
- 2.9684 -2.7597 0.0000 H 0 0 0
- 5.2785 0.8053 0.0000 H 0 0 0
- 5.3442 2.2770 0.0000 H 0 0 0
- 3.8725 2.3427 0.0000 H 0 0 0
- -2.0022 2.0064 0.0000 H 0 0 0
- 5.3154 -2.2345 0.0000 H 0 0 0
- 5.8571 -0.5134 0.0000 H 0 0 0
- -5.5468 -1.3168 0.0000 H 0 0 0
- -4.1474 -2.7192 0.0000 H 0 0 0
- -2.9009 -3.5043 0.0000 H 0 0 0
- -2.1158 -2.2578 0.0000 H 0 0 0
- -4.3211 2.7010 0.0000 H 0 0 0
- -6.0871 1.0437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 9 12 2 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 2 0
- 15 18 2 0
- 8 10 1 0
- 17 18 1 0
- 4 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-217-59-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -1.0246 1.0117 0.0024 C 0 0 0
- -1.3979 -0.3444 0.0018 C 0 0 0
- 0.4004 1.3831 0.0016 C 0 0 0
- -2.0126 1.9986 -0.0020 C 0 0 0
- -0.3638 -1.3929 0.0004 C 0 0 0
- -2.7517 -0.6871 0.0020 C 0 0 0
- 1.3880 0.3816 0.0003 C 0 0 0
- 0.7813 2.7266 0.0017 C 0 0 0
- -3.3415 1.6393 -0.0070 C 0 0 0
- 0.9971 -1.0382 -0.0003 C 0 0 0
- -0.7248 -2.7419 0.0002 C 0 0 0
- -3.7098 0.3015 0.0029 C 0 0 0
- 2.7369 0.7428 -0.0009 C 0 0 0
- 2.1166 3.0613 0.0005 C 0 0 0
- 1.9709 -2.0391 -0.0011 C 0 0 0
- 0.2509 -3.7131 -0.0006 C 0 0 0
- 3.0909 2.0732 -0.0008 C 0 0 0
- 1.5937 -3.3631 -0.0012 C 0 0 0
- -1.7430 3.0106 0.0000 H 0 0 0
- -3.0377 -1.6946 0.0000 H 0 0 0
- 0.0522 3.4784 0.0000 H 0 0 0
- -4.0804 2.3816 0.0000 H 0 0 0
- -1.7361 -3.0143 0.0000 H 0 0 0
- -4.7244 0.0418 0.0000 H 0 0 0
- 3.4781 0.0028 0.0000 H 0 0 0
- 2.3994 4.0697 0.0000 H 0 0 0
- 2.9864 -1.7830 0.0000 H 0 0 0
- -0.0225 -4.7241 0.0000 H 0 0 0
- 4.1033 2.3416 0.0000 H 0 0 0
- 2.3259 -4.1120 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 7 10 1 0
- 9 12 1 0
- 14 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15323-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- 0.3941 0.5574 0.0393 C 0 0 0
- 0.6487 -0.8029 0.0681 C 0 0 0
- 1.7005 1.3225 0.0552 C 0 0 0
- -0.9087 1.0164 0.0078 C 0 0 0
- 2.1437 -1.0415 0.1052 C 0 0 0
- -0.4023 -1.7082 0.0608 C 0 0 0
- 2.7577 0.3068 0.5373 C 0 0 0
- 2.0428 1.8179 -1.3513 C 0 0 0
- 1.6139 2.5006 1.0277 C 0 0 0
- -1.9709 0.1089 0.0051 C 0 0 0
- 2.4823 -2.1302 1.1255 C 0 0 0
- 2.6524 -1.4386 -1.2820 C 0 0 0
- -1.7056 -1.2643 0.0248 C 0 0 0
- 4.0676 0.5364 -0.2192 C 0 0 0
- -3.3598 0.5944 -0.0285 C 0 0 0
- -2.8418 -2.2543 0.0170 C 0 0 0
- -3.9918 1.1565 1.2188 C 0 0 0
- -3.9955 0.5422 -1.0597 O 0 0 0
- -1.0987 2.0368 0.0000 H 0 0 0
- -0.2049 -2.7272 0.0000 H 0 0 0
- 3.0604 1.2996 0.0000 H 0 0 0
- 2.8967 1.2279 0.0000 H 0 0 0
- 2.6328 2.6718 0.0000 H 0 0 0
- 1.1889 2.4079 0.0000 H 0 0 0
- 2.6490 2.5767 0.0000 H 0 0 0
- 1.5378 3.5357 0.0000 H 0 0 0
- 0.5788 2.4245 0.0000 H 0 0 0
- 1.4912 -2.4384 0.0000 H 0 0 0
- 2.7905 -3.1213 0.0000 H 0 0 0
- 3.4734 -1.8220 0.0000 H 0 0 0
- 2.0137 -2.2568 0.0000 H 0 0 0
- 3.4706 -2.0773 0.0000 H 0 0 0
- 3.2911 -0.6204 0.0000 H 0 0 0
- 4.2468 -0.4860 0.0000 H 0 0 0
- 5.0900 0.7156 0.0000 H 0 0 0
- 3.8884 1.5588 0.0000 H 0 0 0
- -3.5237 -1.4717 0.0000 H 0 0 0
- -3.6244 -2.9362 0.0000 H 0 0 0
- -2.1599 -3.0369 0.0000 H 0 0 0
- -3.3020 1.9321 0.0000 H 0 0 0
- -4.7674 1.8463 0.0000 H 0 0 0
- -4.6816 0.3809 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 10 15 1 0
- 13 16 1 0
- 15 17 1 0
- 15 18 2 0
- 5 7 1 0
- 10 13 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 12 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
- 16 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 17 41 1 0
- 17 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-54-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.6512 -0.4015 0.0000 C 0 0 0
- -0.6512 0.4015 0.0000 C 0 0 0
- 1.8423 0.5588 0.0000 C 0 0 0
- -1.8423 -0.5588 0.0000 C 0 0 0
- 3.1447 -0.2442 0.0000 C 0 0 0
- -3.1447 0.2442 0.0000 C 0 0 0
- -0.0576 -1.3040 0.0000 H 0 0 0
- 1.4678 -1.2077 0.0000 H 0 0 0
- 0.0576 1.3040 0.0000 H 0 0 0
- -1.4678 1.2077 0.0000 H 0 0 0
- 2.5511 1.4613 0.0000 H 0 0 0
- 1.0257 1.3650 0.0000 H 0 0 0
- -2.5511 -1.4613 0.0000 H 0 0 0
- -1.0257 -1.3650 0.0000 H 0 0 0
- 2.5425 -1.2210 0.0000 H 0 0 0
- 4.1215 -0.8464 0.0000 H 0 0 0
- 3.7469 0.7326 0.0000 H 0 0 0
- -2.5425 1.2210 0.0000 H 0 0 0
- -4.1215 0.8464 0.0000 H 0 0 0
- -3.7469 -0.7326 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38915-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- -5.7627 0.9898 0.5218 C 0 0 0
- -5.1698 0.4880 -0.6547 C 0 0 0
- -6.0307 2.3767 0.6439 C 0 0 0
- -6.0974 0.1214 1.5778 C 0 0 0
- -4.8645 1.4060 -1.6759 C 0 0 0
- -4.8980 -0.8565 -0.7992 N 0 0 0
- -5.7337 3.2292 -0.3366 N 0 0 0
- -6.6267 2.8538 1.8361 C 0 0 0
- -6.6689 0.6178 2.7076 C 0 0 0
- -5.1731 2.8230 -1.4718 C 0 0 0
- -4.2732 1.0009 -2.8840 C 0 0 0
- -3.5338 -1.0678 -0.2969 C 0 0 0
- -6.9305 1.9812 2.8381 C 0 0 0
- -6.8946 4.1781 1.9814 O 0 0 0
- -4.8625 3.7331 -2.5022 C 0 0 0
- -3.9990 1.9302 -3.8392 C 0 0 0
- -3.1654 -2.5469 -0.4283 C 0 0 0
- -7.4854 4.3409 3.2724 C 0 0 0
- -4.2903 3.2793 -3.6484 C 0 0 0
- -1.7445 -2.7670 0.0948 C 0 0 0
- -1.3908 -4.1872 -0.0314 N 0 0 0
- -0.0230 -4.3290 0.4854 C 0 0 0
- -2.2680 -4.9240 0.8882 C 0 0 0
- 0.9027 -4.7908 -0.6419 C 0 0 0
- -2.7528 -6.2078 0.2116 C 0 0 0
- 2.5815 -4.9649 -0.0077 Cl 0 0 0
- 13.8169 0.6598 0.3796 Cl 0 0 0
- 22.2332 2.6930 0.1998 Cl 0 0 0
- -5.9000 -0.6719 0.0000 H 0 0 0
- -5.4627 -1.4477 0.0000 H 0 0 0
- -7.3773 0.2098 0.0000 H 0 0 0
- -3.9993 0.2306 0.0000 H 0 0 0
- -2.7213 -0.9768 0.0000 H 0 0 0
- -3.5166 -0.2505 0.0000 H 0 0 0
- -7.7459 2.0406 0.0000 H 0 0 0
- -5.0929 4.5175 0.0000 H 0 0 0
- -3.1820 1.8999 0.0000 H 0 0 0
- -3.9779 -2.6379 0.0000 H 0 0 0
- -3.1826 -3.3642 0.0000 H 0 0 0
- -7.2682 5.1291 0.0000 H 0 0 0
- -8.2736 4.5581 0.0000 H 0 0 0
- -7.7026 3.5527 0.0000 H 0 0 0
- -3.5961 3.7111 0.0000 H 0 0 0
- -0.9320 -2.6760 0.0000 H 0 0 0
- -1.7273 -1.9497 0.0000 H 0 0 0
- 0.6000 -3.7997 0.0000 H 0 0 0
- -0.2650 -3.5481 0.0000 H 0 0 0
- -2.5448 -4.1548 0.0000 H 0 0 0
- -3.0855 -4.9176 0.0000 H 0 0 0
- 0.2797 -5.3201 0.0000 H 0 0 0
- 1.1447 -5.5717 0.0000 H 0 0 0
- -3.5176 -5.9190 0.0000 H 0 0 0
- -3.0416 -6.9726 0.0000 H 0 0 0
- -1.9880 -6.4966 0.0000 H 0 0 0
- 14.6344 0.6598 0.0000 H 0 0 0
- 23.0507 2.6930 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 7 10 2 0
- 9 13 1 0
- 16 19 1 0
- 4 29 1 0
- 6 30 1 0
- 9 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 20 44 1 0
- 20 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 27 55 1 0
- 28 56 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-192-97-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.8537 0.7065 0.0023 C 0 0 0
- -0.8535 -0.7066 0.0018 C 0 0 0
- 0.3567 1.4297 0.0021 C 0 0 0
- -2.0852 1.4006 -0.0028 C 0 0 0
- 0.3571 -1.4294 0.0006 C 0 0 0
- -2.0847 -1.4012 0.0022 C 0 0 0
- 1.6387 0.7046 0.0008 C 0 0 0
- 0.3231 2.8202 0.0026 C 0 0 0
- -3.3008 0.6746 -0.0087 C 0 0 0
- -2.0816 2.7998 -0.0024 C 0 0 0
- 1.6389 -0.7039 -0.0002 C 0 0 0
- 0.3241 -2.8199 -0.0004 C 0 0 0
- -3.3007 -0.6757 0.0027 C 0 0 0
- -2.0806 -2.8004 0.0016 C 0 0 0
- 2.8512 1.3942 0.0001 C 0 0 0
- -0.8885 3.4895 0.0033 C 0 0 0
- 2.8513 -1.3935 -0.0014 C 0 0 0
- -0.8872 -3.4897 -0.0001 C 0 0 0
- 4.0375 0.6940 -0.0016 C 0 0 0
- 4.0376 -0.6934 -0.0022 C 0 0 0
- 1.2190 3.3635 0.0000 H 0 0 0
- -4.2121 1.1917 0.0000 H 0 0 0
- -2.9885 3.3246 0.0000 H 0 0 0
- 1.2202 -3.3628 0.0000 H 0 0 0
- -4.2118 -1.1931 0.0000 H 0 0 0
- -2.9873 -3.3255 0.0000 H 0 0 0
- 2.8596 2.4419 0.0000 H 0 0 0
- -0.8987 4.5372 0.0000 H 0 0 0
- 2.8597 -2.4413 0.0000 H 0 0 0
- -0.8970 -4.5374 0.0000 H 0 0 0
- 4.9474 1.2136 0.0000 H 0 0 0
- 4.9475 -1.2129 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 12 18 2 0
- 15 19 2 0
- 17 20 2 0
- 7 11 1 0
- 9 13 2 0
- 10 16 1 0
- 14 18 1 0
- 19 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3520-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 72 1 V2000
- -0.9025 -0.3487 -0.5824 C 0 0 0
- -1.6363 -1.3255 0.1374 C 0 0 0
- 0.1825 -0.7848 -1.3837 C 0 0 0
- -1.2614 1.0782 -0.5044 C 0 0 0
- -1.2683 -2.6843 0.0349 C 0 0 0
- -2.7207 -0.9497 0.9473 C 0 0 0
- 0.4947 -2.1605 -1.4395 C 0 0 0
- 0.9441 0.1395 -2.1177 C 0 0 0
- -0.6881 1.8948 0.4760 C 0 0 0
- -2.1730 1.6248 -1.4144 C 0 0 0
- -0.2290 -3.0582 -0.7394 O 0 0 0
- -1.9883 -3.6363 0.7403 C 0 0 0
- -3.4157 -1.8981 1.6329 C 0 0 0
- 1.5564 -2.5830 -2.2242 C 0 0 0
- 1.9834 -0.2937 -2.8825 C 0 0 0
- -1.0288 3.2292 0.5420 C 0 0 0
- 0.4658 1.2199 1.6239 S 0 0 0
- -2.5032 2.9607 -1.3352 C 0 0 0
- -3.0570 -3.2467 1.5352 C 0 0 0
- 2.2976 -1.6554 -2.9430 C 0 0 0
- -1.9354 3.7612 -0.3585 C 0 0 0
- 1.7441 1.3755 1.0230 O 0 0 0
- 0.0875 1.7282 2.8958 O 0 0 0
- 0.2190 -0.2806 1.6882 O 0 0 0
- -3.7755 -4.2026 2.2393 N 0 0 0
- 3.3598 -2.0822 -3.7269 N 0 3 0
- -2.3645 5.4676 -0.2653 S 0 0 0
- -5.1878 -4.4349 1.9266 C 0 0 0
- -3.1217 -4.9796 3.2953 C 0 0 0
- 3.1065 -2.8497 -4.9488 C 0 0 0
- 4.7348 -1.7653 -3.3328 C 0 0 0
- -1.4334 6.1459 -1.0972 O 0 0 0
- -3.7781 5.5182 -0.4014 O 0 0 0
- -2.0687 5.9344 1.1528 O 0 0 0
- -5.3504 -5.8222 1.3023 C 0 0 0
- -2.9508 -4.1060 4.5397 C 0 0 0
- 2.3385 -1.9808 -5.9468 C 0 0 0
- 5.1385 -2.6387 -2.1433 C 0 0 0
- 16.3187 0.9420 4.4571 Na 0 3 0
- -2.9833 -0.1079 0.0000 H 0 0 0
- 0.7316 0.9954 0.0000 H 0 0 0
- -2.8822 1.1007 0.0000 H 0 0 0
- -1.7388 -4.4821 0.0000 H 0 0 0
- -4.2823 -1.7348 0.0000 H 0 0 0
- 1.7822 -3.4354 0.0000 H 0 0 0
- 2.6571 0.2753 0.0000 H 0 0 0
- -0.3241 3.7594 0.0000 H 0 0 0
- -3.3696 3.1249 0.0000 H 0 0 0
- -5.2493 -3.5552 0.0000 H 0 0 0
- -6.0694 -4.4142 0.0000 H 0 0 0
- -3.6520 -5.6841 0.0000 H 0 0 0
- -2.3162 -5.3386 0.0000 H 0 0 0
- 2.5583 -3.5404 0.0000 H 0 0 0
- 3.8826 -3.2685 0.0000 H 0 0 0
- 5.5588 -1.4512 0.0000 H 0 0 0
- 4.4781 -0.9216 0.0000 H 0 0 0
- -6.2262 -5.7195 0.0000 H 0 0 0
- -5.4531 -6.6980 0.0000 H 0 0 0
- -4.4746 -5.9249 0.0000 H 0 0 0
- -2.0854 -4.2753 0.0000 H 0 0 0
- -2.7815 -3.2406 0.0000 H 0 0 0
- -3.8162 -3.9367 0.0000 H 0 0 0
- 2.9992 -1.3968 0.0000 H 0 0 0
- 1.7545 -1.3201 0.0000 H 0 0 0
- 1.6778 -2.5648 0.0000 H 0 0 0
- 4.3380 -3.0087 0.0000 H 0 0 0
- 5.5085 -3.4392 0.0000 H 0 0 0
- 5.9390 -2.2687 0.0000 H 0 0 0
- 0.0759 -1.1508 0.0000 H 0 0 0
- -1.5967 6.6793 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 2 0
- 14 20 1 0
- 16 21 2 0
- 17 22 2 0
- 17 23 2 0
- 17 24 1 0
- 19 25 1 0
- 20 26 2 0
- 21 27 1 0
- 25 28 1 0
- 25 29 1 0
- 26 30 1 0
- 26 31 1 0
- 27 32 2 0
- 27 33 2 0
- 27 34 1 0
- 28 35 1 0
- 29 36 1 0
- 30 37 1 0
- 31 38 1 0
- 7 11 1 0
- 13 19 1 0
- 15 20 1 0
- 18 21 1 0
- 6 40 1 0
- 8 41 1 0
- 10 42 1 0
- 12 43 1 0
- 13 44 1 0
- 14 45 1 0
- 15 46 1 0
- 16 47 1 0
- 18 48 1 0
- 28 49 1 0
- 28 50 1 0
- 29 51 1 0
- 29 52 1 0
- 30 53 1 0
- 30 54 1 0
- 31 55 1 0
- 31 56 1 0
- 35 57 1 0
- 35 58 1 0
- 35 59 1 0
- 36 60 1 0
- 36 61 1 0
- 36 62 1 0
- 37 63 1 0
- 37 64 1 0
- 37 65 1 0
- 38 66 1 0
- 38 67 1 0
- 38 68 1 0
- 24 69 1 0
- 34 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-158321-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.2390 0.1301 0.0028 C 0 0 0
- -0.5729 -1.0143 0.0016 C 0 0 0
- 1.6220 -0.0149 0.0008 C 0 0 0
- -0.5795 1.2457 0.0006 N 0 0 0
- -1.9683 -0.5372 0.0038 C 0 0 0
- 0.0041 -2.2829 -0.0013 C 0 0 0
- 2.1852 -1.2800 -0.0025 C 0 0 0
- 2.4919 1.1827 0.0016 N 0 3 0
- -1.9101 0.8642 -0.0022 C 0 0 0
- -3.2016 -1.1846 0.0038 C 0 0 0
- 1.3745 -2.4130 -0.0029 C 0 0 0
- 3.5747 -1.4210 -0.0046 N 0 0 0
- 2.8512 1.6737 1.0568 O 0 0 0
- 2.8484 1.6772 -1.0529 O 0 5 0
- -3.0942 1.5949 -0.0051 C 0 0 0
- -4.3637 -0.4435 0.0063 C 0 0 0
- -4.3080 0.9418 -0.0075 C 0 0 0
- -0.2422 2.2326 0.0000 H 0 0 0
- -0.6013 -3.1322 0.0000 H 0 0 0
- -3.2455 -2.2266 0.0000 H 0 0 0
- 1.8069 -3.3621 0.0000 H 0 0 0
- 4.0023 -2.3722 0.0000 H 0 0 0
- 4.1847 -0.5751 0.0000 H 0 0 0
- -3.0633 2.6374 0.0000 H 0 0 0
- -5.2881 -0.9265 0.0000 H 0 0 0
- -5.1924 1.4946 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 2 0
- 15 17 2 0
- 5 9 2 0
- 7 11 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 15 24 1 0
- 16 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20921-50-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 56 1 V2000
- -0.9069 0.2510 -0.5243 C 0 0 0
- -2.2452 -0.4025 -0.2939 C 0 0 0
- -0.9108 1.6309 0.0815 C 0 0 0
- 0.1349 -0.5473 0.0966 O 0 0 0
- -0.6522 0.3508 -1.9707 C 0 0 0
- -2.3125 -1.6489 0.2996 C 0 0 0
- -3.4058 0.2472 -0.6711 C 0 0 0
- -0.9579 2.7444 -0.7360 C 0 0 0
- -0.8729 1.7829 1.4551 C 0 0 0
- 1.4251 -0.1818 -0.0240 C 0 0 0
- -0.4490 0.4305 -3.1242 C 0 0 0
- -3.5402 -2.2484 0.5110 C 0 0 0
- -4.6332 -0.3522 -0.4598 C 0 0 0
- -0.9613 4.0103 -0.1802 C 0 0 0
- -0.8765 3.0484 2.0107 C 0 0 0
- 2.4004 -0.9907 0.4354 N 0 0 0
- 1.7102 0.8772 -0.5472 O 0 0 0
- -4.7002 -1.6015 0.1287 C 0 0 0
- -3.6137 -3.6076 1.1577 C 0 0 0
- -0.9178 4.1624 1.1928 C 0 0 0
- 3.8043 -0.5930 0.3041 C 0 0 0
- -6.0384 -2.2552 0.3587 C 0 0 0
- 4.6134 -1.1899 1.4573 C 0 0 0
- 4.3575 -1.1068 -1.0266 C 0 0 0
- 6.0795 -0.7747 1.3202 C 0 0 0
- 5.8237 -0.6915 -1.1638 C 0 0 0
- 6.6328 -1.2885 -0.0106 C 0 0 0
- -1.5211 -2.1734 0.0000 H 0 0 0
- -3.3792 1.1963 0.0000 H 0 0 0
- -1.9071 2.7231 0.0000 H 0 0 0
- 0.0696 1.6685 0.0000 H 0 0 0
- 0.4349 0.7772 0.0000 H 0 0 0
- -5.4247 0.1721 0.0000 H 0 0 0
- -1.9017 4.1408 0.0000 H 0 0 0
- 0.0727 3.0673 0.0000 H 0 0 0
- 2.2042 -1.9196 0.0000 H 0 0 0
- -4.5617 -3.5563 0.0000 H 0 0 0
- -3.6650 -4.5556 0.0000 H 0 0 0
- -2.6657 -3.6589 0.0000 H 0 0 0
- -0.8034 5.1049 0.0000 H 0 0 0
- 3.9741 0.3411 0.0000 H 0 0 0
- -6.4551 -1.4021 0.0000 H 0 0 0
- -6.8915 -2.6719 0.0000 H 0 0 0
- -5.6217 -3.1083 0.0000 H 0 0 0
- 3.8968 -1.8127 0.0000 H 0 0 0
- 5.0650 -2.0250 0.0000 H 0 0 0
- 3.5961 -1.6740 0.0000 H 0 0 0
- 4.7774 -1.9583 0.0000 H 0 0 0
- 6.8409 -0.2075 0.0000 H 0 0 0
- 5.6596 0.0768 0.0000 H 0 0 0
- 6.5403 -0.0687 0.0000 H 0 0 0
- 5.3721 0.1436 0.0000 H 0 0 0
- 6.4912 -2.2273 0.0000 H 0 0 0
- 7.5290 -0.9751 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 3 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 2 0
- 10 16 1 0
- 10 17 2 0
- 12 18 2 0
- 12 19 1 0
- 14 20 2 0
- 16 21 1 0
- 18 22 1 0
- 21 23 1 0
- 21 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 13 18 1 0
- 15 20 1 0
- 26 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 25 49 1 0
- 25 50 1 0
- 26 51 1 0
- 26 52 1 0
- 27 53 1 0
- 27 54 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2179-59-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.3638 1.1224 -0.3250 S 0 0 0
- -0.4529 -0.7005 -0.7858 S 0 0 0
- 1.7657 0.5905 0.6961 C 0 0 0
- -1.6059 -0.8889 0.6019 C 0 0 0
- 2.6848 -0.3117 -0.1298 C 0 0 0
- -2.5965 0.2467 0.5896 C 0 0 0
- 3.8672 -0.7603 0.7314 C 0 0 0
- -3.8775 -0.0027 0.4759 C 0 0 0
- 2.6638 0.9797 0.0000 H 0 0 0
- 1.7431 1.5690 0.0000 H 0 0 0
- -2.4493 -1.3856 0.0000 H 0 0 0
- -1.2730 -1.8093 0.0000 H 0 0 0
- 1.7867 -0.7009 0.0000 H 0 0 0
- 2.7075 -1.2902 0.0000 H 0 0 0
- -2.2788 1.1725 0.0000 H 0 0 0
- 3.5200 -1.6754 0.0000 H 0 0 0
- 4.7823 -1.1075 0.0000 H 0 0 0
- 4.2144 0.1548 0.0000 H 0 0 0
- -4.5199 0.7358 0.0000 H 0 0 0
- -4.1959 -0.9283 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 2 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.8698 -0.0113 0.0000 C 0 0 0
- -2.1591 0.8123 0.0000 C 0 0 0
- 0.3366 0.9298 0.0000 C 0 0 0
- -3.5807 -0.2967 0.0000 Cl 0 0 0
- 1.9934 -0.1285 0.0000 Br 0 0 0
- -1.6574 -0.9818 0.0000 H 0 0 0
- 0.0055 -0.9036 0.0000 H 0 0 0
- -1.3715 1.7828 0.0000 H 0 0 0
- -3.0344 1.7046 0.0000 H 0 0 0
- 1.1242 1.9003 0.0000 H 0 0 0
- -0.5387 1.8221 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-37151-16-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- -0.8898 1.2681 -0.0098 C 0 0 0
- -2.2142 0.9115 -0.0593 N 0 0 0
- -0.8703 2.6669 0.1306 C 0 0 0
- 0.2602 0.6075 -0.0688 N 0 0 0
- -2.7414 -0.4481 -0.2003 C 0 0 2
- -2.9491 2.0547 0.0477 C 0 0 0
- 0.3774 3.3121 0.2079 C 0 0 0
- -2.1587 3.0829 0.1590 N 0 0 0
- 1.4134 1.2538 0.0096 C 0 0 0
- -4.0274 -0.4002 -0.8558 O 0 0 0
- -3.0331 -1.0349 1.1986 C 0 0 1
- 1.4785 2.5742 0.1449 N 0 0 0
- 0.4548 4.6870 0.3460 N 0 0 0
- 2.6751 0.4781 -0.0606 C 0 0 0
- -4.6891 -1.6295 -0.4860 C 0 0 1
- -4.3439 -1.8300 1.0064 C 0 0 1
- -1.9826 -1.9305 1.5680 O 0 0 0
- 3.9038 1.1320 0.0193 C 0 0 0
- 2.6372 -0.9080 -0.2009 C 0 0 0
- -6.2018 -1.4612 -0.6413 C 0 0 0
- -4.1015 -3.2158 1.2572 O 0 0 0
- 5.0747 0.4050 -0.0461 C 0 0 0
- 3.8149 -1.6249 -0.2652 C 0 0 0
- -6.5125 -1.1866 -2.0089 O 0 0 0
- 5.0310 -0.9703 -0.1907 C 0 0 0
- 6.2906 -1.7447 -0.2607 N 0 3 0
- 6.2549 -2.9555 -0.3879 O 0 0 0
- 7.3628 -1.1710 -0.1910 O 0 5 0
- -1.7965 -0.8651 0.0000 H 0 0 0
- -3.9810 2.0981 0.0000 H 0 0 0
- -3.7934 -0.3359 0.0000 H 0 0 0
- 1.3768 5.1523 0.0000 H 0 0 0
- -0.4092 5.2529 0.0000 H 0 0 0
- -5.0125 -2.6104 0.0000 H 0 0 0
- -5.1911 -2.4207 0.0000 H 0 0 0
- -1.1967 -2.6006 0.0000 H 0 0 0
- 3.9382 2.1642 0.0000 H 0 0 0
- 1.7300 -1.4016 0.0000 H 0 0 0
- -7.0941 -1.9813 0.0000 H 0 0 0
- -5.9881 -2.4716 0.0000 H 0 0 0
- -3.9235 -4.2332 0.0000 H 0 0 0
- 5.9852 0.8926 0.0000 H 0 0 0
- 3.7875 -2.6573 0.0000 H 0 0 0
- -7.2864 -0.5026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 5 2 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 7 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 2 0
- 15 20 1 0
- 16 21 1 0
- 18 22 2 0
- 19 23 1 0
- 20 24 1 0
- 22 25 1 0
- 25 26 1 0
- 26 27 2 0
- 26 28 1 0
- 6 8 2 0
- 9 12 1 0
- 15 16 1 0
- 23 25 2 0
- 5 29 1 0
- 6 30 1 0
- 11 31 1 0
- 13 32 1 0
- 13 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 23 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-157730-36-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.9049 0.5287 0.0039 C 0 0 0
- -0.7842 -0.8828 0.0027 C 0 0 0
- 0.2116 1.3153 0.0028 C 0 0 0
- -2.2664 0.7991 0.0004 N 0 0 0
- 0.4099 -1.4625 0.0013 N 0 0 0
- -2.0388 -1.3827 0.0036 N 0 0 0
- 1.4666 0.6806 0.0006 C 0 0 0
- -2.9119 -0.4036 -0.0027 C 0 0 0
- -2.8918 2.1239 0.0006 C 0 0 0
- 1.5268 -0.7389 0.0010 C 0 0 0
- 2.6652 1.4090 -0.0009 C 0 0 0
- -4.2766 -0.5651 -0.0066 N 0 0 0
- 2.8003 -1.3434 -0.0010 C 0 0 0
- 3.8159 0.7758 -0.0033 N 0 0 0
- 3.9038 -0.5477 -0.0017 C 0 0 0
- 0.1371 2.3369 0.0000 H 0 0 0
- -1.9655 2.5612 0.0000 H 0 0 0
- -3.3291 3.0502 0.0000 H 0 0 0
- -3.8181 1.6866 0.0000 H 0 0 0
- 2.6432 2.4331 0.0000 H 0 0 0
- -4.8895 0.2557 0.0000 H 0 0 0
- -4.6810 -1.5062 0.0000 H 0 0 0
- 2.8932 -2.3635 0.0000 H 0 0 0
- 4.8306 -0.9839 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 6 8 2 0
- 7 10 1 0
- 14 15 1 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-947-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.9061 -0.5182 -0.0014 C 0 0 0
- -0.5469 -0.7139 -0.0007 C 0 0 0
- 1.4263 0.7957 -0.0009 C 0 0 0
- 1.7806 -1.6077 0.0034 C 0 0 0
- -1.3868 0.4215 0.0003 C 0 0 0
- -1.1124 -1.9906 -0.0016 C 0 0 0
- 0.5581 1.9095 0.0006 C 0 0 0
- 2.8184 0.9789 -0.0015 C 0 0 0
- 3.1295 -1.3956 0.0032 C 0 0 0
- -0.7902 1.7568 0.0002 C 0 0 0
- -2.7756 0.2481 0.0009 C 0 0 0
- -2.4714 -2.1283 -0.0014 C 0 0 0
- 3.6455 -0.1049 -0.0025 C 0 0 0
- -1.6129 2.8812 0.0008 N 0 0 0
- -3.2995 -1.0123 0.0005 C 0 0 0
- 1.4026 -2.5844 0.0000 H 0 0 0
- -0.4976 -2.8384 0.0000 H 0 0 0
- 0.9639 2.8749 0.0000 H 0 0 0
- 3.2205 1.9459 0.0000 H 0 0 0
- 3.7825 -2.2144 0.0000 H 0 0 0
- -3.4098 1.0815 0.0000 H 0 0 0
- -2.8943 -3.0864 0.0000 H 0 0 0
- 4.6831 0.0369 0.0000 H 0 0 0
- -1.1902 3.8393 0.0000 H 0 0 0
- -2.6540 2.7682 0.0000 H 0 0 0
- -4.3389 -1.1400 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 7 10 1 0
- 9 13 1 0
- 12 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4533-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 46 1 V2000
- 1.4026 0.9327 0.0054 C 0 0 0
- 0.7633 -0.2496 -0.4179 C 0 0 0
- 2.7202 0.8639 0.5302 C 0 0 0
- 0.7572 2.1771 -0.0900 C 0 0 0
- 1.4747 -1.4596 -0.2973 C 0 0 0
- -0.5151 -0.2232 -0.9321 N 0 0 0
- 3.3551 -0.3033 0.6252 N 0 0 0
- 3.3487 2.0537 0.9501 C 0 0 0
- 1.3988 3.3029 0.3261 C 0 0 0
- -0.6145 2.2631 -0.6400 N 0 3 0
- 2.7899 -1.4453 0.2380 C 0 0 0
- 0.9016 -2.6783 -0.6993 C 0 0 0
- -1.4250 -0.5156 0.1835 C 0 0 0
- 2.6904 3.2388 0.8476 C 0 0 0
- -0.8065 2.0809 -1.8289 O 0 0 0
- -1.5512 2.5161 0.0964 O 0 5 0
- 3.4911 -2.6632 0.3534 C 0 0 0
- 1.6119 -3.8316 -0.5718 C 0 0 0
- -2.8533 -0.6563 -0.3467 C 0 0 0
- 2.9037 -3.8221 -0.0456 C 0 0 0
- -3.8009 -0.9608 0.8152 C 0 0 0
- -5.1722 -1.0959 0.3061 N 0 0 0
- -6.0263 -1.3860 1.4656 C 0 0 0
- -5.5704 0.2279 -0.1908 C 0 0 0
- -0.6587 0.7594 0.0000 H 0 0 0
- 4.3417 2.0642 0.0000 H 0 0 0
- 0.9213 4.1736 0.0000 H 0 0 0
- -0.0899 -2.7341 0.0000 H 0 0 0
- -1.7697 -1.4469 0.0000 H 0 0 0
- -0.7383 -1.2329 0.0000 H 0 0 0
- 3.2151 4.0819 0.0000 H 0 0 0
- 4.4838 -2.6368 0.0000 H 0 0 0
- 1.1308 -4.7003 0.0000 H 0 0 0
- -2.5086 0.2750 0.0000 H 0 0 0
- -3.5400 0.0610 0.0000 H 0 0 0
- 3.4266 -4.6663 0.0000 H 0 0 0
- -4.1456 -1.8921 0.0000 H 0 0 0
- -3.1142 -1.6781 0.0000 H 0 0 0
- -6.3457 -0.4457 0.0000 H 0 0 0
- -6.9666 -1.7054 0.0000 H 0 0 0
- -5.7069 -2.3263 0.0000 H 0 0 0
- -4.6195 0.5139 0.0000 H 0 0 0
- -5.8564 1.1788 0.0000 H 0 0 0
- -6.5213 -0.0581 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 17 20 2 0
- 19 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 1 0
- 7 11 2 0
- 9 14 2 0
- 18 20 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17026-81-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -1.1185 0.4537 -0.4153 C 0 0 0
- -0.6719 -0.8604 -0.4271 C 0 0 0
- -0.2152 1.4928 -0.2361 C 0 0 0
- -2.4804 0.7320 -0.5901 N 0 0 0
- 0.6772 -1.1337 -0.2597 C 0 0 0
- 1.1298 1.2214 -0.0691 C 0 0 0
- -3.3947 0.1563 0.2156 C 0 0 0
- 1.5804 -0.0882 -0.0801 C 0 0 0
- 1.1307 -2.4576 -0.2707 N 0 0 0
- -4.8647 0.3534 -0.0512 C 0 0 0
- -3.0343 -0.5205 1.1555 O 0 0 0
- 2.9048 -0.3537 0.0844 O 0 0 0
- 3.5619 0.9054 0.2425 C 0 0 0
- 5.0627 0.6770 0.4329 C 0 0 0
- -1.3572 -1.6393 0.0000 H 0 0 0
- -0.5495 2.4749 0.0000 H 0 0 0
- -2.6663 1.7527 0.0000 H 0 0 0
- 1.8133 2.0019 0.0000 H 0 0 0
- 0.4488 -3.2395 0.0000 H 0 0 0
- 2.1488 -2.6572 0.0000 H 0 0 0
- -4.7268 1.3817 0.0000 H 0 0 0
- -5.8930 0.4913 0.0000 H 0 0 0
- -5.0026 -0.6749 0.0000 H 0 0 0
- 3.8296 1.9077 0.0000 H 0 0 0
- 2.5950 1.2815 0.0000 H 0 0 0
- 4.9066 -0.3487 0.0000 H 0 0 0
- 6.0884 0.5209 0.0000 H 0 0 0
- 5.2188 1.7027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 12 13 1 0
- 13 14 1 0
- 6 8 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 1.7630 0.2406 -0.0016 C 0 0 0
- 0.4191 0.4903 -0.0017 N 0 0 0
- 2.6740 1.3002 -0.0016 C 0 0 0
- 2.2327 -1.0760 0.0043 C 0 0 0
- -0.4191 -0.4903 -0.0017 N 0 0 0
- 4.0286 1.0404 -0.0016 C 0 0 0
- 3.5898 -1.3201 0.0043 C 0 0 0
- -1.7630 -0.2406 -0.0018 C 0 0 0
- 4.4862 -0.2654 -0.0015 C 0 0 0
- -2.6740 -1.3002 -0.0019 C 0 0 0
- -2.2327 1.0760 0.0039 C 0 0 0
- -4.0286 -1.0404 -0.0015 C 0 0 0
- -3.5898 1.3201 0.0042 C 0 0 0
- -4.4862 0.2654 -0.0011 C 0 0 0
- 2.3322 2.2801 0.0000 H 0 0 0
- 1.5618 -1.8677 0.0000 H 0 0 0
- 4.7063 1.8263 0.0000 H 0 0 0
- 3.9400 -2.2970 0.0000 H 0 0 0
- 5.5065 -0.4550 0.0000 H 0 0 0
- -2.3322 -2.2801 0.0000 H 0 0 0
- -1.5618 1.8677 0.0000 H 0 0 0
- -4.7063 -1.8263 0.0000 H 0 0 0
- -3.9400 2.2970 0.0000 H 0 0 0
- -5.5065 0.4550 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 7 9 1 0
- 13 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95791-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.1073 1.0840 0.0021 C 0 0 0
- -0.6891 -0.1981 0.0015 C 0 0 0
- 1.3532 1.1891 0.0016 C 0 0 0
- -0.9203 2.2304 -0.0026 C 0 0 0
- -2.1493 -0.3025 0.0014 C 0 0 0
- 0.1240 -1.3448 0.0005 C 0 0 0
- 2.1220 0.0019 0.0008 C 0 0 0
- 1.9955 2.4301 0.0015 C 0 0 0
- -2.2703 2.1391 -0.0082 C 0 0 0
- -2.9173 0.8853 0.0021 C 0 0 0
- -2.7929 -1.5433 0.0001 C 0 0 0
- 1.4749 -1.2535 -0.0002 C 0 0 0
- 3.5218 0.0941 0.0002 C 0 0 0
- 3.3595 2.4850 0.0006 C 0 0 0
- -4.3179 0.7940 0.0019 C 0 0 0
- -4.1565 -1.5970 -0.0005 C 0 0 0
- 2.4279 -2.7045 -0.0014 Cl 0 0 0
- 4.1188 1.3200 0.0005 C 0 0 0
- -4.9153 -0.4311 0.0010 C 0 0 0
- -0.4690 3.1811 0.0000 H 0 0 0
- -0.3274 -2.2955 0.0000 H 0 0 0
- 1.4305 3.3180 0.0000 H 0 0 0
- -2.8479 3.0188 0.0000 H 0 0 0
- -2.2287 -2.4317 0.0000 H 0 0 0
- 4.1088 -0.7794 0.0000 H 0 0 0
- 3.8422 3.4202 0.0000 H 0 0 0
- -4.9044 1.6678 0.0000 H 0 0 0
- -4.6399 -2.5318 0.0000 H 0 0 0
- 5.1692 1.3854 0.0000 H 0 0 0
- -5.9657 -0.4959 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 2 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-171866-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 61 65 1 V2000
- -1.2118 -1.2537 -0.6606 C 0 0 0
- -2.0556 -2.2552 -0.2520 C 0 0 0
- 0.2259 -1.5065 -1.0359 C 0 0 2
- -1.6744 0.0671 -0.7365 C 0 0 0
- -3.3811 -1.9594 0.0942 C 0 0 0
- -1.6207 -3.6955 -0.1619 C 0 0 0
- 0.4554 -2.9888 -1.3217 C 0 0 0
- 1.0776 -1.0900 0.0333 O 0 0 0
- -2.9890 0.3778 -0.3949 C 0 0 0
- -0.8354 1.0509 -1.1454 O 0 0 0
- -3.8566 -0.6514 0.0238 C 0 0 0
- -4.2080 -2.9544 0.5007 O 0 0 0
- -0.0974 -3.7982 -0.1425 C 0 0 2
- 1.9627 -0.1049 -0.5035 C 0 0 1
- -3.4744 1.7664 -0.4734 C 0 0 0
- -5.2499 -0.3399 0.3866 C 0 0 0
- 0.3224 -5.2630 -0.2807 C 0 0 0
- 0.4055 -3.2671 1.0851 O 0 0 0
- 2.3917 0.8554 0.6081 C 0 0 1
- 3.1099 -0.7474 -1.0563 O 0 0 0
- -4.8709 2.0802 -0.1049 C 0 0 0
- -2.7278 2.6526 -0.8410 O 0 0 0
- -5.7382 1.0528 0.3063 C 0 0 0
- -5.9968 -1.2269 0.7520 O 0 0 0
- 1.7310 -5.3769 -0.0685 O 0 0 0
- 3.0843 0.0568 1.7182 C 0 0 1
- 3.7677 2.3175 -0.1938 I 0 0 0
- 3.6493 -1.6057 -0.0530 C 0 0 2
- -5.3376 3.3900 -0.1743 C 0 0 0
- -7.0532 1.3567 0.6478 C 0 0 0
- 4.2163 -0.7682 1.0956 C 0 0 1
- 3.6278 0.9579 2.6850 O 0 0 0
- 4.7638 -2.4611 -0.6589 C 0 0 0
- -6.6462 3.6748 0.1721 C 0 0 0
- -7.5015 2.6631 0.5700 C 0 0 0
- 5.2245 0.1104 0.5919 O 0 0 0
- 0.0844 -0.5055 0.0000 H 0 0 0
- -2.6165 -3.8696 0.0000 H 0 0 0
- -1.5673 -4.7050 0.0000 H 0 0 0
- 1.1058 -3.7627 0.0000 H 0 0 0
- 1.3758 -2.5708 0.0000 H 0 0 0
- -0.1794 1.8201 0.0000 H 0 0 0
- -4.8541 -3.7319 0.0000 H 0 0 0
- 1.1149 0.4458 0.0000 H 0 0 0
- -0.6757 -5.4232 0.0000 H 0 0 0
- 0.3621 -6.2731 0.0000 H 0 0 0
- 1.1006 -2.5331 0.0000 H 0 0 0
- 1.5503 1.4158 0.0000 H 0 0 0
- 2.7386 -5.4584 0.0000 H 0 0 0
- 2.4004 -0.6876 0.0000 H 0 0 0
- 2.9018 -2.2863 0.0000 H 0 0 0
- -4.6700 4.1491 0.0000 H 0 0 0
- -7.7301 0.6059 0.0000 H 0 0 0
- 4.9733 -1.4382 0.0000 H 0 0 0
- 4.1499 1.8235 0.0000 H 0 0 0
- 4.1483 -3.2630 0.0000 H 0 0 0
- 5.5657 -3.0766 0.0000 H 0 0 0
- 5.3793 -1.6592 0.0000 H 0 0 0
- -6.9712 4.6320 0.0000 H 0 0 0
- -8.4950 2.8497 0.0000 H 0 0 0
- 5.9866 0.7746 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 19 26 1 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 26 31 1 0
- 26 32 1 0
- 28 33 1 0
- 29 34 2 0
- 30 35 2 0
- 31 36 1 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 31 1 0
- 34 35 1 0
- 3 37 1 0
- 6 38 1 0
- 6 39 1 0
- 7 40 1 0
- 7 41 1 0
- 10 42 1 0
- 12 43 1 0
- 14 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 19 48 1 0
- 25 49 1 0
- 26 50 1 0
- 28 51 1 0
- 29 52 1 0
- 30 53 1 0
- 31 54 1 0
- 32 55 1 0
- 33 56 1 0
- 33 57 1 0
- 33 58 1 0
- 34 59 1 0
- 35 60 1 0
- 36 61 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-63-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.2688 0.3669 -0.2879 C 0 0 0
- 0.6741 -0.8193 -0.0202 C 0 0 0
- 0.1900 -0.5003 -1.3266 O 0 0 0
- 0.5837 1.6040 -0.1666 C 0 0 0
- -1.7137 0.4079 0.1382 C 0 0 0
- 2.0364 -0.1607 0.2513 C 0 0 0
- 0.2854 -2.0940 0.7315 C 0 0 0
- 1.8482 1.2841 0.1323 N 0 0 0
- 0.1783 2.7368 -0.3198 O 0 0 0
- -2.5740 -0.5167 -0.3166 O 0 0 0
- -2.0979 1.2729 0.8891 O 0 0 0
- 2.5114 -0.5096 1.6632 C 0 0 0
- 2.9942 -0.6107 -0.7090 O 0 0 0
- -0.5538 -2.9892 -0.1824 C 0 0 0
- -3.9662 -0.4772 0.0939 C 0 0 0
- 0.7011 -2.9624 0.0000 H 0 0 0
- 1.2454 -2.0216 0.0000 H 0 0 0
- 2.5680 1.9234 0.0000 H 0 0 0
- 1.9415 -1.2855 0.0000 H 0 0 0
- 3.2873 -1.0795 0.0000 H 0 0 0
- 3.0813 0.2663 0.0000 H 0 0 0
- 3.8655 -1.0201 0.0000 H 0 0 0
- -1.2562 -2.3308 0.0000 H 0 0 0
- -1.2122 -3.6916 0.0000 H 0 0 0
- 0.1486 -3.6476 0.0000 H 0 0 0
- -3.9389 0.4851 0.0000 H 0 0 0
- -4.9285 -0.4499 0.0000 H 0 0 0
- -3.9935 -1.4395 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 2 3 1 0
- 6 8 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105500-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 45 1 V2000
- -1.7856 -0.0527 0.1038 C 0 0 0
- -1.9780 -1.5398 0.1594 C 0 0 2
- -0.4795 0.4756 0.0597 C 0 0 0
- -2.8454 0.7982 0.1004 C 0 0 0
- -3.3300 -2.0554 -0.2947 C 0 0 1
- -2.9878 -1.9392 1.0880 O 0 0 0
- -0.2921 1.9272 0.0182 C 0 0 0
- 0.6498 -0.3532 0.0533 C 0 0 0
- -4.2465 0.2408 0.1360 C 0 0 1
- -2.6669 2.1827 0.0620 C 0 0 0
- -4.3202 -0.9996 -0.7573 C 0 0 1
- 0.9336 2.4402 -0.0200 N 0 0 0
- -1.4348 2.7511 0.0204 C 0 0 0
- 1.9010 0.2513 0.0109 C 0 0 0
- -4.5854 -0.1105 1.4791 O 0 0 0
- -4.0337 -0.6380 -2.1098 O 0 0 0
- 2.0127 1.6656 -0.0237 C 0 0 0
- 3.1218 -0.5668 0.0021 C 0 0 0
- 3.3392 2.2816 -0.0638 C 0 0 0
- 4.3796 0.0709 -0.0372 C 0 0 0
- 3.0549 -1.9609 0.0314 C 0 0 0
- 4.4557 1.5283 -0.0699 C 0 0 0
- 5.5448 -0.7067 -0.0450 C 0 0 0
- 4.2171 -2.6986 0.0221 C 0 0 0
- 5.4543 -2.0682 -0.0154 C 0 0 0
- -1.1519 -2.1828 0.0000 H 0 0 0
- -3.5840 -3.0710 0.0000 H 0 0 0
- 0.5541 -1.3957 0.0000 H 0 0 0
- -4.8298 1.1101 0.0000 H 0 0 0
- -3.5107 2.8023 0.0000 H 0 0 0
- -5.3047 -1.3556 0.0000 H 0 0 0
- -1.3342 3.7931 0.0000 H 0 0 0
- -5.3122 -0.8639 0.0000 H 0 0 0
- -3.3836 0.1825 0.0000 H 0 0 0
- 3.4222 3.3252 0.0000 H 0 0 0
- 2.1257 -2.4431 0.0000 H 0 0 0
- 5.3926 1.9954 0.0000 H 0 0 0
- 6.4838 -0.2438 0.0000 H 0 0 0
- 4.1677 -3.7443 0.0000 H 0 0 0
- 6.3283 -2.6445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 18 21 1 0
- 19 22 2 0
- 20 23 1 0
- 21 24 2 0
- 23 25 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 2 0
- 20 22 1 0
- 24 25 1 0
- 2 26 1 0
- 5 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 19 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
- 25 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142022-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -0.0299 -0.2429 0.0048 C 0 0 0
- -1.3874 -0.7073 0.0018 C 0 0 0
- 0.1700 1.1452 0.0044 C 0 0 0
- 1.0244 -1.1674 0.0022 C 0 0 0
- -2.3947 0.2547 -0.0031 C 0 0 0
- -1.6644 -2.0894 0.0044 C 0 0 0
- -1.4907 1.7835 -0.0006 S 0 0 0
- 1.4096 1.6540 0.0064 C 0 0 0
- 2.3782 -0.6164 -0.0003 C 0 0 0
- 0.7138 -2.5379 0.0017 C 0 0 0
- -3.6833 -0.1437 -0.0081 C 0 0 0
- -0.5733 -2.9834 0.0118 C 0 0 0
- -3.0126 -2.4711 -0.0012 C 0 0 0
- -1.7043 2.3866 1.2683 O 0 0 0
- -1.6965 2.3870 -1.2705 O 0 0 0
- 2.5372 0.7926 0.0053 C 0 0 0
- 3.5064 -1.4403 -0.0097 C 0 0 0
- -3.9850 -1.5098 -0.0077 C 0 0 0
- 3.8347 1.3292 0.0039 C 0 0 0
- 4.7524 -0.8840 -0.0116 C 0 0 0
- 4.9138 0.4976 -0.0006 C 0 0 0
- 1.5473 2.6958 0.0000 H 0 0 0
- 1.4967 -3.2389 0.0000 H 0 0 0
- -4.4564 0.5681 0.0000 H 0 0 0
- -0.7579 -4.0179 0.0000 H 0 0 0
- -3.2745 -3.4888 0.0000 H 0 0 0
- 3.3958 -2.4854 0.0000 H 0 0 0
- -4.9929 -1.8072 0.0000 H 0 0 0
- 3.9732 2.3709 0.0000 H 0 0 0
- 5.5993 -1.5062 0.0000 H 0 0 0
- 5.8822 0.9058 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 16 19 1 0
- 17 20 2 0
- 19 21 2 0
- 5 7 1 0
- 9 16 2 0
- 10 12 2 0
- 13 18 2 0
- 20 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5329-87-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.4086 -0.3276 0.0100 C 0 0 0
- -1.8904 -0.3819 0.0147 C 0 0 0
- 0.2224 0.9048 0.1792 C 0 0 0
- 0.3481 -1.4806 -0.1653 C 0 0 0
- -2.6100 0.7923 -0.2066 C 0 0 0
- -2.5606 -1.5797 0.2359 C 0 0 0
- 1.6003 0.9734 0.1700 C 0 0 0
- -0.6017 2.1479 0.3779 C 0 0 0
- 1.7273 -1.3997 -0.1701 C 0 0 0
- -1.8797 2.0844 -0.4538 C 0 0 0
- -3.9892 0.7593 -0.1998 C 0 0 0
- -3.9419 -1.6006 0.2385 C 0 0 0
- 2.3503 -0.1766 -0.0015 C 0 0 0
- -4.6530 -0.4343 0.0219 C 0 0 0
- 3.8283 -0.0964 -0.0107 N 0 3 0
- 4.4921 -1.1064 -0.1613 O 0 0 0
- 4.3807 0.9797 0.1324 O 0 5 0
- -0.1164 -2.4048 0.0000 H 0 0 0
- -2.0307 -2.4680 0.0000 H 0 0 0
- 2.0702 1.8949 0.0000 H 0 0 0
- 0.3482 2.5572 0.0000 H 0 0 0
- -0.8357 3.1554 0.0000 H 0 0 0
- 2.2934 -2.2654 0.0000 H 0 0 0
- -1.7370 3.1089 0.0000 H 0 0 0
- -2.8594 2.4161 0.0000 H 0 0 0
- -4.5242 1.6446 0.0000 H 0 0 0
- -4.4415 -2.5063 0.0000 H 0 0 0
- -5.6871 -0.4550 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 8 10 1 0
- 9 13 2 0
- 12 14 2 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63-74-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.7673 -0.0001 -0.0659 S 0 0 0
- 0.0057 0.0000 -0.0317 C 0 0 0
- 2.2929 0.0032 1.5045 N 0 0 0
- 2.1431 -1.2638 -0.5961 O 0 0 0
- 2.1432 1.2612 -0.6015 O 0 0 0
- -0.6839 1.1983 -0.0209 C 0 0 0
- -0.6843 -1.1987 -0.0215 C 0 0 0
- -2.0649 1.2020 0.0058 C 0 0 0
- -2.0649 -1.2022 0.0052 C 0 0 0
- -2.7608 0.0002 0.0219 C 0 0 0
- -4.1573 0.0003 0.0494 N 0 0 0
- 2.8170 -0.8915 0.0000 H 0 0 0
- 2.8057 0.9044 0.0000 H 0 0 0
- -0.1636 2.0952 0.0000 H 0 0 0
- -0.1641 -2.0957 0.0000 H 0 0 0
- -2.5816 2.1010 0.0000 H 0 0 0
- -2.5817 -2.1011 0.0000 H 0 0 0
- -4.6757 0.8983 0.0000 H 0 0 0
- -4.6758 -0.8977 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 9 10 1 0
- 3 12 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-88-23-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 2.0209 -0.7127 -0.0749 S 0 0 0
- 2.8007 0.2160 -0.8156 O 0 0 0
- 1.8656 -2.0901 -0.3876 O 0 0 0
- 2.5658 -0.6700 1.3456 O 0 0 0
- 0.3911 -0.0443 -0.0341 C 0 0 0
- 0.2063 1.3276 -0.0096 C 0 0 0
- -0.7032 -0.8904 -0.0325 C 0 0 0
- 1.2818 2.1605 -0.0173 O 0 0 0
- -1.0838 1.8535 0.0226 C 0 0 0
- -1.9843 -0.3698 -0.0005 C 0 0 0
- -1.2759 3.2397 0.0471 N 0 0 0
- -2.1768 1.0000 0.0299 C 0 0 0
- -3.3533 -1.4372 0.0008 Cl 0 0 0
- 3.6008 -0.5889 0.0000 H 0 0 0
- -0.5623 -1.9190 0.0000 H 0 0 0
- 2.1026 2.7962 0.0000 H 0 0 0
- -0.4565 3.8773 0.0000 H 0 0 0
- -2.2378 3.6305 0.0000 H 0 0 0
- -3.1394 1.3890 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 1 0
- 12 9 2 0
- 13 10 1 0
- 10 12 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125486-24-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 61 1 V2000
- 3.7082 -0.1755 -0.4872 C 0 0 0
- 4.4019 -1.2944 0.0145 C 0 0 0
- 4.4429 1.0058 -0.7113 C 0 0 0
- 2.3576 -0.2361 -0.7551 N 0 0 0
- 5.7945 -1.1939 0.2724 C 0 0 0
- 3.7345 -2.5061 0.2628 C 0 0 0
- 5.8338 1.0266 -0.4283 C 0 0 0
- 3.8174 2.1613 -1.2100 C 0 0 0
- 1.6654 0.2057 0.4629 C 0 0 0
- 6.4484 -0.0560 0.0458 N 0 0 0
- 6.4764 -2.3214 0.7744 C 0 0 0
- 4.4290 -3.5707 0.7479 C 0 0 0
- 6.5569 2.2152 -0.6572 C 0 0 0
- 4.5508 3.2886 -1.4167 C 0 0 0
- 0.1532 0.1627 0.2341 C 0 0 0
- 5.7974 -3.4766 1.0018 C 0 0 0
- 5.9179 3.3131 -1.1407 C 0 0 0
- -0.5678 0.6229 1.5027 C 0 0 0
- -2.0573 0.5805 1.2773 C 0 0 0
- -2.7668 -0.5704 1.5689 C 0 0 0
- -2.7123 1.6941 0.7848 C 0 0 0
- -4.1316 -0.6126 1.3636 C 0 0 0
- -4.0774 1.6587 0.5771 C 0 0 0
- -4.7921 0.5028 0.8635 C 0 0 0
- -6.1725 0.4634 0.6542 N 0 0 0
- -6.7029 0.2174 -0.6891 C 0 0 0
- -7.0898 0.6680 1.7779 C 0 0 0
- -6.6656 -1.2832 -0.9853 C 0 0 0
- -7.1871 2.1624 2.0913 C 0 0 0
- -7.3184 -1.5858 -2.6384 Cl 0 0 0
- 2.0953 -1.2156 0.0000 H 0 0 0
- 2.7212 -2.5439 0.0000 H 0 0 0
- 2.8043 2.2022 0.0000 H 0 0 0
- 2.4551 0.8417 0.0000 H 0 0 0
- 1.3147 1.1571 0.0000 H 0 0 0
- 7.4903 -2.3150 0.0000 H 0 0 0
- 3.9770 -4.4783 0.0000 H 0 0 0
- 7.5708 2.2053 0.0000 H 0 0 0
- 4.0594 4.1755 0.0000 H 0 0 0
- -0.6365 -0.4733 0.0000 H 0 0 0
- 0.5039 -0.7887 0.0000 H 0 0 0
- 6.3309 -4.3389 0.0000 H 0 0 0
- 6.4155 4.1966 0.0000 H 0 0 0
- 0.2219 1.2589 0.0000 H 0 0 0
- -0.9185 1.5743 0.0000 H 0 0 0
- -2.2589 -1.4480 0.0000 H 0 0 0
- -2.2203 2.5807 0.0000 H 0 0 0
- -4.6201 -1.5012 0.0000 H 0 0 0
- -4.5825 2.5379 0.0000 H 0 0 0
- -7.0004 1.1867 0.0000 H 0 0 0
- -7.7037 0.0545 0.0000 H 0 0 0
- -8.1033 0.6982 0.0000 H 0 0 0
- -7.2158 -0.3381 0.0000 H 0 0 0
- -6.3682 -2.2526 0.0000 H 0 0 0
- -5.6648 -1.1204 0.0000 H 0 0 0
- -6.1753 2.2283 0.0000 H 0 0 0
- -7.2530 3.1742 0.0000 H 0 0 0
- -8.1989 2.0965 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 7 10 1 0
- 12 16 1 0
- 14 17 1 0
- 23 24 2 0
- 4 31 1 0
- 6 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 11 36 1 0
- 12 37 1 0
- 13 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 20 46 1 0
- 21 47 1 0
- 22 48 1 0
- 23 49 1 0
- 26 50 1 0
- 26 51 1 0
- 27 52 1 0
- 27 53 1 0
- 28 54 1 0
- 28 55 1 0
- 29 56 1 0
- 29 57 1 0
- 29 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.3545 0.0001 0.0030 C 0 0 0
- 0.3377 -1.1981 0.0018 C 0 0 0
- 0.3374 1.1979 0.0018 C 0 0 0
- -2.0905 0.0000 -0.0011 Cl 0 0 0
- 1.7196 -1.1974 -0.0007 C 0 0 0
- 1.7197 1.1973 -0.0006 C 0 0 0
- 2.4106 0.0002 -0.0019 C 0 0 0
- -0.1804 -2.0964 0.0000 H 0 0 0
- -0.1808 2.0961 0.0000 H 0 0 0
- 2.2384 -2.0953 0.0000 H 0 0 0
- 2.2385 2.0952 0.0000 H 0 0 0
- 3.4476 0.0003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91897-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- 1.0046 -0.1137 -0.5070 C 0 0 0
- -0.1665 -0.8705 -0.6251 C 0 0 0
- 1.0837 1.3477 -0.5053 C 0 0 0
- 2.3014 -0.6232 -0.3763 C 0 0 0
- -1.4321 -0.0897 -0.7831 C 0 0 2
- 0.0051 -2.2166 -0.5858 C 0 0 0
- -0.1955 2.1437 -0.6118 C 0 0 0
- 2.3709 1.6331 -0.3897 C 0 0 0
- 3.1167 0.4662 -0.3121 N 0 0 0
- 2.4436 -2.0094 -0.3454 C 0 0 0
- -1.3239 1.2591 -0.0692 C 0 0 1
- -2.6153 -0.8412 -0.2437 C 0 0 0
- 1.2807 -2.7615 -0.4444 C 0 0 0
- 4.5749 0.4130 -0.1819 C 0 0 0
- -2.6137 1.9492 -0.1587 N 0 0 0
- -3.5508 -0.2358 0.4310 C 0 0 0
- 4.9490 0.4055 1.2779 C 0 0 0
- -3.5312 1.2329 0.7344 C 0 0 0
- -2.4186 3.2853 0.4197 C 0 0 0
- -4.7132 -1.0535 0.9323 C 0 0 0
- 5.6244 -0.6005 1.7759 C 0 0 0
- -4.5412 -2.4166 0.5395 O 0 0 0
- -2.3231 0.4474 0.0000 H 0 0 0
- -0.8250 -2.8437 0.0000 H 0 0 0
- 0.4530 2.9572 0.0000 H 0 0 0
- -0.9281 2.8823 0.0000 H 0 0 0
- 2.7683 2.5945 0.0000 H 0 0 0
- 3.3816 -2.4593 0.0000 H 0 0 0
- -0.4074 0.7668 0.0000 H 0 0 0
- -2.6197 -1.8815 0.0000 H 0 0 0
- 1.3692 -3.7981 0.0000 H 0 0 0
- 4.0271 -0.4714 0.0000 H 0 0 0
- 5.0719 -0.5009 0.0000 H 0 0 0
- 5.4476 1.3186 0.0000 H 0 0 0
- -3.9719 2.1753 0.0000 H 0 0 0
- -4.5482 1.0139 0.0000 H 0 0 0
- -1.3892 3.1350 0.0000 H 0 0 0
- -2.2683 4.3147 0.0000 H 0 0 0
- -3.4480 3.4356 0.0000 H 0 0 0
- -5.1662 -0.1170 0.0000 H 0 0 0
- -5.7107 -1.3490 0.0000 H 0 0 0
- 5.1663 -1.5346 0.0000 H 0 0 0
- 6.6624 -0.5302 0.0000 H 0 0 0
- -4.4110 -3.4487 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 2 0
- 20 22 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 16 18 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-58-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.2378 0.0946 -0.0010 C 0 0 0
- -1.2277 0.2803 -0.0002 C 0 0 0
- 1.0852 1.2042 0.0003 C 0 0 0
- 0.7819 -1.1915 0.0027 C 0 0 0
- -2.0426 -0.7924 -0.0015 O 0 0 0
- -1.6980 1.4003 0.0017 O 0 0 0
- 2.4530 1.0235 -0.0005 C 0 0 0
- 2.1510 -1.3577 0.0018 C 0 0 0
- -3.4831 -0.6099 -0.0007 C 0 0 0
- 2.9852 -0.2534 -0.0027 C 0 0 0
- 0.6872 2.1626 0.0000 H 0 0 0
- 0.1574 -2.0203 0.0000 H 0 0 0
- 3.0840 1.8474 0.0000 H 0 0 0
- 2.5566 -2.3129 0.0000 H 0 0 0
- -3.3527 0.4196 0.0000 H 0 0 0
- -4.5126 -0.4795 0.0000 H 0 0 0
- -3.6135 -1.6394 0.0000 H 0 0 0
- 4.0147 -0.3838 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91379-15-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 45 1 V2000
- 2.8086 -0.2340 -0.3695 C 0 0 0
- 1.5733 0.1009 0.2318 C 0 0 0
- 3.9573 0.2409 0.1443 C 0 0 0
- 0.4127 -0.3789 -0.2873 C 0 0 0
- 5.1390 -0.0794 -0.4309 O 0 0 0
- -0.8170 -0.0456 0.3113 C 0 0 0
- 6.1590 0.5676 0.3328 C 0 0 0
- -1.9791 -0.5261 -0.2086 C 0 0 0
- 7.5284 0.2445 -0.2682 C 0 0 0
- -3.2097 -0.1925 0.3905 C 0 0 0
- 8.6204 0.9371 0.5495 C 0 0 0
- 7.7384 -1.1688 -0.2426 O 0 0 0
- -4.3685 -0.6716 -0.1279 C 0 0 0
- 9.8995 0.6354 -0.0118 O 0 0 0
- -5.6451 -0.3255 0.4935 C 0 0 0
- -6.7858 -0.7971 -0.0167 C 0 0 0
- -8.1022 -0.4403 0.6241 C 0 0 0
- -8.9813 0.2931 -0.3909 C 0 0 0
- -10.3179 0.6554 0.2597 C 0 0 0
- -11.1970 1.3887 -0.7553 C 0 0 0
- 2.8694 -1.1876 0.0000 H 0 0 0
- 1.5125 1.0545 0.0000 H 0 0 0
- 3.8965 1.1945 0.0000 H 0 0 0
- 0.4735 -1.3325 0.0000 H 0 0 0
- -0.8778 0.9080 0.0000 H 0 0 0
- 6.6084 1.4109 0.0000 H 0 0 0
- 5.4583 1.2173 0.0000 H 0 0 0
- -1.9183 -1.4797 0.0000 H 0 0 0
- 7.3698 1.1868 0.0000 H 0 0 0
- -3.2705 0.7611 0.0000 H 0 0 0
- 9.0698 1.7804 0.0000 H 0 0 0
- 7.9197 1.5868 0.0000 H 0 0 0
- 7.8788 -2.1140 0.0000 H 0 0 0
- -4.3077 -1.6252 0.0000 H 0 0 0
- 10.8295 0.4160 0.0000 H 0 0 0
- -5.7059 0.6281 0.0000 H 0 0 0
- -6.7250 -1.7507 0.0000 H 0 0 0
- -8.9429 -0.8946 0.0000 H 0 0 0
- -7.9922 -1.3895 0.0000 H 0 0 0
- -8.1406 0.7474 0.0000 H 0 0 0
- -9.0913 1.2423 0.0000 H 0 0 0
- -11.1585 0.2011 0.0000 H 0 0 0
- -10.2079 -0.2938 0.0000 H 0 0 0
- -10.5849 2.1225 0.0000 H 0 0 0
- -11.9308 2.0008 0.0000 H 0 0 0
- -11.8091 0.6549 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 1 21 1 0
- 2 22 1 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 20 45 1 0
- 20 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24684-41-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.7070 0.7313 -0.0436 C 0 0 0
- -0.1407 -0.3976 -0.0197 C 0 0 0
- 2.0998 0.5476 -0.0616 C 0 0 0
- 0.1487 2.0310 -0.0551 C 0 0 0
- -1.5914 -0.1900 0.0041 C 0 0 0
- 0.4155 -1.6778 -0.0186 C 0 0 0
- 2.6159 -0.7150 -0.0602 C 0 0 0
- 3.2184 1.5675 -0.0833 C 0 0 0
- -1.1859 2.2226 -0.0410 C 0 0 0
- -2.0873 1.1333 -0.0023 C 0 0 0
- -2.4833 -1.2636 0.0330 C 0 0 0
- 1.7712 -1.8244 -0.0388 C 0 0 0
- -0.4774 -2.8916 0.0051 C 0 0 0
- 4.1300 -0.6533 -0.0827 C 0 0 0
- 4.4808 0.7882 0.3429 C 0 0 0
- -3.4733 1.3434 0.0198 C 0 0 0
- -3.8281 -1.0258 0.0543 C 0 0 0
- -4.3199 0.2742 0.0479 C 0 0 0
- 0.7896 2.8673 0.0000 H 0 0 0
- 3.8526 2.4089 0.0000 H 0 0 0
- 2.4394 2.2769 0.0000 H 0 0 0
- -1.5654 3.2055 0.0000 H 0 0 0
- -2.1207 -2.2529 0.0000 H 0 0 0
- 2.1875 -2.7923 0.0000 H 0 0 0
- -1.3261 -2.2672 0.0000 H 0 0 0
- -1.1018 -3.7403 0.0000 H 0 0 0
- 0.3713 -3.5160 0.0000 H 0 0 0
- 4.0748 -1.7055 0.0000 H 0 0 0
- 5.1725 -0.8061 0.0000 H 0 0 0
- 5.4729 0.4334 0.0000 H 0 0 0
- 4.9375 1.7377 0.0000 H 0 0 0
- -3.8595 2.3237 0.0000 H 0 0 0
- -4.5005 -1.8370 0.0000 H 0 0 0
- -5.3611 0.4359 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 2 0
- 16 18 2 0
- 7 12 1 0
- 9 10 1 0
- 14 15 1 0
- 17 18 1 0
- 4 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.0000 -0.3487 0.0000 N 0 0 0
- -1.1786 0.5282 0.0000 C 0 0 0
- 1.1786 0.5282 0.0000 C 0 0 0
- -2.4488 -0.3248 0.0000 C 0 0 0
- 2.4488 -0.3248 0.0000 C 0 0 0
- 0.0000 -1.4734 0.0000 H 0 0 0
- -0.4096 1.3489 0.0000 H 0 0 0
- -1.9071 1.3850 0.0000 H 0 0 0
- 1.9071 1.3850 0.0000 H 0 0 0
- 0.4096 1.3489 0.0000 H 0 0 0
- -3.0758 0.6089 0.0000 H 0 0 0
- -3.3825 -0.9518 0.0000 H 0 0 0
- -1.8218 -1.2585 0.0000 H 0 0 0
- 1.8218 -1.2585 0.0000 H 0 0 0
- 3.3825 -0.9518 0.0000 H 0 0 0
- 3.0758 0.6089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-614-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 1.5235 0.2446 0.0343 C 0 0 0
- 0.1788 0.8533 0.0927 C 0 0 0
- 2.6543 1.0531 -0.0993 C 0 0 0
- 1.6701 -1.1413 0.1181 C 0 0 0
- -0.9099 0.0705 0.2216 O 0 0 0
- 0.0548 2.0598 0.0246 O 0 0 0
- 3.9068 0.4781 -0.1532 C 0 0 0
- 2.9289 -1.7032 0.0628 C 0 0 0
- -2.0475 0.5925 0.3667 O 0 0 0
- 4.0444 -0.8967 -0.0754 C 0 0 0
- -3.0039 -0.3709 -0.0796 C 0 0 0
- -2.8744 -1.6443 0.7586 C 0 0 0
- -4.4145 0.2008 0.0760 C 0 0 0
- -2.7469 -0.7008 -1.5514 C 0 0 0
- 2.5561 2.0814 0.0000 H 0 0 0
- 0.8343 -1.7484 0.0000 H 0 0 0
- 4.7475 1.0784 0.0000 H 0 0 0
- 3.0352 -2.7307 0.0000 H 0 0 0
- 4.9866 -1.3203 0.0000 H 0 0 0
- -3.9021 -1.7488 0.0000 H 0 0 0
- -2.7699 -2.6720 0.0000 H 0 0 0
- -1.8467 -1.5398 0.0000 H 0 0 0
- -4.0265 1.1582 0.0000 H 0 0 0
- -5.3719 0.5888 0.0000 H 0 0 0
- -4.8025 -0.7566 0.0000 H 0 0 0
- -3.5618 -1.3356 0.0000 H 0 0 0
- -2.1121 -1.5157 0.0000 H 0 0 0
- -1.9320 -0.0660 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 11 13 1 0
- 11 14 1 0
- 8 10 2 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-05-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.2850 0.7517 0.3707 C 0 0 0
- -1.4214 1.5760 0.2532 C 0 0 0
- 0.9892 1.3276 0.3808 C 0 0 0
- -0.4494 -0.7100 0.4758 C 0 0 0
- -2.7691 0.9664 0.2413 C 0 0 0
- -1.2672 2.9527 0.1492 C 0 0 0
- 2.1183 0.5254 0.4957 N 0 0 0
- 1.1200 2.7123 0.2742 C 0 0 0
- -1.7606 -1.3148 0.1528 C 0 0 0
- 0.4817 -1.4101 0.8235 O 0 0 0
- -2.8982 -0.4931 0.0459 C 0 0 0
- -3.7579 1.6569 0.3907 O 0 0 0
- 0.0023 3.5114 0.1606 C 0 0 0
- 3.1127 0.6280 -0.4082 C 0 0 0
- -1.8795 -2.6871 -0.0362 C 0 0 0
- -4.1336 -1.0619 -0.2531 C 0 0 0
- 4.3667 -0.1305 -0.2166 C 0 0 0
- 2.9783 1.3442 -1.3810 O 0 0 0
- -3.1141 -3.2368 -0.3383 C 0 0 0
- -4.2345 -2.4326 -0.4330 C 0 0 0
- -5.5424 -0.0581 -0.3994 Cl 0 0 0
- 5.3985 -0.0266 -1.1508 C 0 0 0
- 4.5266 -0.9497 0.9027 C 0 0 0
- 6.5665 -0.7374 -0.9659 C 0 0 0
- 5.6994 -1.6549 1.0754 C 0 0 0
- 6.7162 -1.5517 0.1424 C 0 0 0
- -2.0996 3.5646 0.0000 H 0 0 0
- 1.8553 -0.4736 0.0000 H 0 0 0
- 2.0599 3.1410 0.0000 H 0 0 0
- 0.1086 4.5390 0.0000 H 0 0 0
- -1.0382 -3.2867 0.0000 H 0 0 0
- -3.2191 -4.2645 0.0000 H 0 0 0
- -5.1703 -2.8702 0.0000 H 0 0 0
- 5.6271 0.9809 0.0000 H 0 0 0
- 3.6805 -1.5424 0.0000 H 0 0 0
- 7.4174 -0.1516 0.0000 H 0 0 0
- 5.4738 -2.6631 0.0000 H 0 0 0
- 7.5424 -2.1719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 14 17 1 0
- 14 18 2 0
- 15 19 2 0
- 16 20 2 0
- 16 21 1 0
- 17 22 2 0
- 17 23 1 0
- 22 24 1 0
- 23 25 2 0
- 24 26 2 0
- 8 13 2 0
- 9 11 2 0
- 19 20 1 0
- 25 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 13 30 1 0
- 15 31 1 0
- 19 32 1 0
- 20 33 1 0
- 22 34 1 0
- 23 35 1 0
- 24 36 1 0
- 25 37 1 0
- 26 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17024-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.2034 0.2306 -0.0028 C 0 0 0
- -1.5356 -0.3802 -0.0015 C 0 0 0
- -0.1032 1.6404 -0.0006 C 0 0 0
- 0.9570 -0.5456 -0.0003 C 0 0 0
- -2.6693 0.4638 0.0019 C 0 0 0
- -1.7048 -1.7661 -0.0040 C 0 0 0
- -1.2762 2.4299 0.0023 C 0 0 0
- 1.1666 2.2353 -0.0018 C 0 0 0
- 2.1792 0.0641 -0.0011 C 0 0 0
- -2.5020 1.8679 0.0035 C 0 0 0
- -3.9486 -0.1100 0.0031 C 0 0 0
- -2.9643 -2.2942 -0.0032 C 0 0 0
- 2.2820 1.4502 -0.0050 C 0 0 0
- 3.4083 -0.7607 0.0015 N 0 3 0
- -4.0817 -1.4675 0.0011 C 0 0 0
- 4.5017 -0.2242 0.0008 O 0 0 0
- 3.3262 -1.9760 0.0044 O 0 5 0
- 0.8907 -1.5905 0.0000 H 0 0 0
- -0.8698 -2.3978 0.0000 H 0 0 0
- -1.1912 3.4735 0.0000 H 0 0 0
- 1.2582 3.2783 0.0000 H 0 0 0
- -3.3482 2.4846 0.0000 H 0 0 0
- -4.7987 0.5013 0.0000 H 0 0 0
- -3.0896 -3.3337 0.0000 H 0 0 0
- 3.2286 1.8978 0.0000 H 0 0 0
- -5.0386 -1.8926 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 9 14 1 0
- 11 15 2 0
- 14 16 2 0
- 14 17 1 0
- 7 10 1 0
- 9 13 1 0
- 12 15 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56-53-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- 0.4281 0.4825 -0.5525 C 0 0 0
- -0.4139 -0.5603 -0.4673 C 0 0 0
- 1.8606 0.2986 -0.2607 C 0 0 0
- -0.0912 1.8394 -0.9526 C 0 0 0
- -1.8466 -0.3314 -0.2105 C 0 0 0
- 0.1067 -1.9647 -0.6343 C 0 0 0
- 2.2849 0.0685 1.0509 C 0 0 0
- 2.7990 0.3479 -1.2957 C 0 0 0
- -0.0158 2.7880 0.2455 C 0 0 0
- -2.8022 -0.7637 -1.1342 C 0 0 0
- -2.2547 0.3139 0.9606 C 0 0 0
- -0.1133 -2.7476 0.6617 C 0 0 0
- 3.6259 -0.1028 1.3189 C 0 0 0
- 4.1375 0.1754 -1.0179 C 0 0 0
- -4.1411 -0.5473 -0.8896 C 0 0 0
- -3.5956 0.5257 1.1963 C 0 0 0
- 4.5550 -0.0473 0.2882 C 0 0 0
- -4.5413 0.0993 0.2725 C 0 0 0
- 5.8759 -0.2164 0.5573 O 0 0 0
- -5.8624 0.3108 0.5091 O 0 0 0
- -0.9885 2.2780 0.0000 H 0 0 0
- -0.8282 1.1653 0.0000 H 0 0 0
- 0.9378 -2.5186 0.0000 H 0 0 0
- 0.8902 -1.3453 0.0000 H 0 0 0
- 1.9783 -0.8820 0.0000 H 0 0 0
- 2.8368 1.3459 0.0000 H 0 0 0
- 0.9798 2.7089 0.0000 H 0 0 0
- 0.0633 3.7836 0.0000 H 0 0 0
- -1.0114 2.8671 0.0000 H 0 0 0
- -2.6705 -1.7537 0.0000 H 0 0 0
- -1.7059 1.1484 0.0000 H 0 0 0
- -1.0748 -2.4774 0.0000 H 0 0 0
- -0.3835 -3.7091 0.0000 H 0 0 0
- 0.8482 -3.0178 0.0000 H 0 0 0
- 3.5923 -1.1010 0.0000 H 0 0 0
- 4.4413 1.1268 0.0000 H 0 0 0
- -4.6954 -1.3781 0.0000 H 0 0 0
- -3.7285 1.5156 0.0000 H 0 0 0
- 6.8666 -0.3432 0.0000 H 0 0 0
- -6.8486 0.4687 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 17 19 1 0
- 18 20 1 0
- 14 17 1 0
- 16 18 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 19 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6755-13-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.4546 -0.0311 -0.0033 C 0 0 0
- -1.6303 -0.6934 -0.0030 O 0 0 0
- -0.7320 1.3202 -0.0001 C 0 0 0
- 0.8340 -0.6184 -0.0010 C 0 0 0
- -2.6391 0.1888 0.0002 C 0 0 0
- -2.1299 1.4407 0.0021 C 0 0 0
- 1.9382 0.1691 -0.0016 C 0 0 0
- -4.0795 -0.1531 0.0008 N 0 3 0
- 3.2262 -0.4179 0.0006 C 0 0 0
- -4.9156 0.7326 0.0039 O 0 0 0
- -4.4285 -1.3200 -0.0018 O 0 5 0
- 4.3235 0.3646 0.0000 N 0 0 0
- 3.3429 -1.6301 0.0031 O 0 0 0
- 5.6565 -0.2429 0.0024 C 0 0 0
- 4.1831 1.8229 -0.0030 C 0 0 0
- -0.0558 2.0801 0.0000 H 0 0 0
- 0.9314 -1.6309 0.0000 H 0 0 0
- -2.6609 2.3083 0.0000 H 0 0 0
- 1.8408 1.1816 0.0000 H 0 0 0
- 5.2347 -1.1685 0.0000 H 0 0 0
- 6.5821 -0.6647 0.0000 H 0 0 0
- 6.0783 0.6827 0.0000 H 0 0 0
- 5.1956 1.9204 0.0000 H 0 0 0
- 4.0856 2.8354 0.0000 H 0 0 0
- 3.1706 1.7254 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 12 15 1 0
- 5 6 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77-46-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -0.0029 -1.8345 -0.0365 S 0 0 0
- -1.4120 -0.7801 -0.1220 C 0 0 0
- 1.4174 -0.8037 0.1214 C 0 0 0
- -0.1149 -2.5293 1.1980 O 0 0 0
- 0.1021 -2.4430 -1.3163 O 0 0 0
- -1.8607 -0.3264 -1.3485 C 0 0 0
- -2.0703 -0.4127 1.0376 C 0 0 0
- 1.8705 -0.4411 1.3764 C 0 0 0
- 2.0801 -0.3638 -1.0100 C 0 0 0
- -2.9654 0.4999 -1.4189 C 0 0 0
- -3.1752 0.4131 0.9739 C 0 0 0
- 2.9840 0.3664 1.5036 C 0 0 0
- 3.1938 0.4437 -0.8896 C 0 0 0
- -3.6253 0.8748 -0.2562 C 0 0 0
- 3.6483 0.8141 0.3695 C 0 0 0
- -4.7446 1.7118 -0.3242 N 0 0 0
- 4.7765 1.6322 0.4949 N 0 0 0
- -5.9504 1.2579 0.0714 C 0 0 0
- 5.9366 1.2748 -0.0907 C 0 0 0
- -7.1729 2.1233 -0.0948 C 0 0 0
- -6.0517 0.1529 0.5613 O 0 0 0
- 7.1118 2.2179 -0.0723 C 0 0 0
- 6.0347 0.1941 -0.6325 O 0 0 0
- -1.2884 0.3306 0.0000 H 0 0 0
- -2.5445 -1.1437 0.0000 H 0 0 0
- 1.3424 0.2519 0.0000 H 0 0 0
- 2.5769 -1.0796 0.0000 H 0 0 0
- -2.4883 1.2290 0.0000 H 0 0 0
- -3.7497 -0.2420 0.0000 H 0 0 0
- 2.4847 1.0805 0.0000 H 0 0 0
- 3.7250 -0.2470 0.0000 H 0 0 0
- -4.6221 2.5745 0.0000 H 0 0 0
- 4.6340 2.4918 0.0000 H 0 0 0
- -6.6695 2.8345 0.0000 H 0 0 0
- -7.8841 2.6267 0.0000 H 0 0 0
- -7.6763 1.4121 0.0000 H 0 0 0
- 7.6571 1.5383 0.0000 H 0 0 0
- 7.7914 2.7632 0.0000 H 0 0 0
- 6.5665 2.8975 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 19 22 1 0
- 19 23 2 0
- 11 14 1 0
- 13 15 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 16 32 1 0
- 17 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-613-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -3.8714 0.6871 -0.0021 C 0 0 0
- -4.2947 -0.6667 -0.0017 C 0 0 0
- -2.5008 0.9826 -0.0016 C 0 0 0
- -4.8358 1.7115 0.0028 C 0 0 0
- -3.3361 -1.6968 -0.0008 C 0 0 0
- -5.6691 -0.9567 -0.0017 C 0 0 0
- -1.5798 -0.0547 -0.0007 C 0 0 0
- -6.1584 1.3911 0.0079 C 0 0 0
- -2.0133 -1.3939 -0.0004 C 0 0 0
- -6.5738 0.0608 -0.0021 C 0 0 0
- -0.2426 0.2254 -0.0002 N 0 0 0
- 0.6177 -0.7358 0.0006 N 0 0 0
- 1.9529 -0.4561 0.0011 C 0 0 0
- 2.8876 -1.4972 0.0020 C 0 0 0
- 2.3914 0.8729 -0.0051 C 0 0 0
- 4.2340 -1.2109 0.0020 C 0 0 0
- 3.7391 1.1509 -0.0051 C 0 0 0
- 4.6660 0.1121 0.0012 C 0 0 0
- 6.0289 0.3976 0.0012 N 0 0 0
- 6.4857 1.7896 0.0003 C 0 0 0
- 7.0060 -0.6940 0.0022 C 0 0 0
- -2.1761 1.9752 0.0000 H 0 0 0
- -4.5382 2.7126 0.0000 H 0 0 0
- -3.6429 -2.6951 0.0000 H 0 0 0
- -5.9957 -1.9487 0.0000 H 0 0 0
- -6.8725 2.1532 0.0000 H 0 0 0
- -1.3080 -2.1641 0.0000 H 0 0 0
- -7.5948 -0.1590 0.0000 H 0 0 0
- 2.5642 -2.4902 0.0000 H 0 0 0
- 1.6967 1.6527 0.0000 H 0 0 0
- 4.9323 -1.9875 0.0000 H 0 0 0
- 4.0670 2.1424 0.0000 H 0 0 0
- 7.4780 1.4640 0.0000 H 0 0 0
- 6.8113 2.7819 0.0000 H 0 0 0
- 5.4934 2.1152 0.0000 H 0 0 0
- 6.2278 -1.3905 0.0000 H 0 0 0
- 7.7025 -1.4722 0.0000 H 0 0 0
- 7.7842 0.0025 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 12 13 1 0
- 13 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 7 9 2 0
- 8 10 1 0
- 17 18 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.6191 0.0827 -0.0007 C 0 0 0
- -0.6026 0.9650 0.0016 C 0 0 0
- 1.8438 0.6321 0.0005 O 0 0 0
- 0.4962 -1.1193 0.0016 O 0 0 0
- -2.0851 -0.0612 -0.0007 Cl 0 0 0
- 3.0209 -0.2181 -0.0017 C 0 0 0
- 0.1307 1.7701 0.0000 H 0 0 0
- -1.3197 1.7846 0.0000 H 0 0 0
- 2.3832 -1.1009 0.0000 H 0 0 0
- 3.9037 -0.8558 0.0000 H 0 0 0
- 3.6586 0.6647 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 2 7 1 0
- 2 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-814-78-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.7892 -0.0655 -0.0016 C 0 0 0
- -0.6696 0.0396 -0.0003 C 0 0 0
- 1.6346 1.1820 -0.0008 C 0 0 0
- 1.3717 -1.2663 0.0022 C 0 0 0
- -1.3273 1.3955 0.0017 C 0 0 0
- -1.3502 -0.9648 -0.0009 O 0 0 0
- 2.5427 0.5666 0.0000 H 0 0 0
- 2.2500 2.0901 0.0000 H 0 0 0
- 0.7265 1.7974 0.0000 H 0 0 0
- 0.7564 -2.1744 0.0000 H 0 0 0
- 2.4658 -1.3452 0.0000 H 0 0 0
- -0.3403 1.8742 0.0000 H 0 0 0
- -1.8060 2.3825 0.0000 H 0 0 0
- -2.3143 0.9168 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93673-33-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- -0.5106 0.5477 -0.1169 C 0 0 0
- -1.7879 0.0153 -0.0976 C 0 0 0
- -0.6458 2.0468 -0.2315 C 0 0 0
- 0.5577 -0.3300 -0.0390 C 0 0 0
- -2.8130 0.9563 -0.1856 C 0 0 0
- -2.0576 -1.4102 0.0053 C 0 0 0
- -2.1658 2.3168 -0.2763 C 0 0 0
- -1.3753 2.5434 0.8925 O 0 0 0
- 1.9437 0.1570 -0.0556 C 0 0 0
- 0.3183 -1.7734 0.0617 C 0 0 0
- -4.0952 0.5049 -0.1746 C 0 0 0
- -0.9772 -2.2904 0.0899 C 0 0 0
- -3.4076 -1.8134 0.0126 C 0 0 0
- 3.0023 -0.7721 0.0232 C 0 0 0
- 2.2250 1.5213 -0.1474 C 0 0 0
- 1.4657 -2.6776 0.1423 C 0 0 0
- -4.3769 -0.8597 -0.0772 C 0 0 0
- 2.7240 -2.2011 0.1236 C 0 0 0
- 4.3244 -0.3063 0.0043 C 0 0 0
- 3.5337 1.9479 -0.1624 C 0 0 0
- 4.5751 1.0318 -0.0878 C 0 0 0
- 0.2551 2.5765 0.0000 H 0 0 0
- -2.8414 3.1141 0.0000 H 0 0 0
- -4.8823 1.1924 0.0000 H 0 0 0
- -1.1354 -3.3235 0.0000 H 0 0 0
- -3.6596 -2.8277 0.0000 H 0 0 0
- 1.4459 2.2179 0.0000 H 0 0 0
- 1.3067 -3.7105 0.0000 H 0 0 0
- -5.3769 -1.1635 0.0000 H 0 0 0
- 3.5230 -2.8748 0.0000 H 0 0 0
- 5.1179 -0.9864 0.0000 H 0 0 0
- 3.7446 2.9715 0.0000 H 0 0 0
- 5.5631 1.3725 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 9 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 14 18 1 0
- 14 19 1 0
- 15 20 2 0
- 19 21 2 0
- 5 7 1 0
- 7 8 1 0
- 10 12 2 0
- 13 17 1 0
- 16 18 2 0
- 20 21 1 0
- 3 22 1 0
- 7 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-73-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -0.3293 -0.7588 -0.0754 C 0 0 0
- -1.6051 -1.3327 -0.1165 N 0 0 0
- 0.2827 -0.5119 1.1469 C 0 0 0
- 0.3280 -0.4411 -1.2566 C 0 0 0
- -2.7391 -0.5198 -0.0479 C 0 0 0
- 1.5413 0.0543 1.1865 C 0 0 0
- 1.5870 0.1253 -1.2151 C 0 0 0
- -3.9998 -1.0920 0.0707 C 0 0 0
- -2.6086 0.8624 -0.0922 C 0 0 0
- 2.1948 0.3767 0.0059 C 0 0 0
- -5.1185 -0.2856 0.1388 C 0 0 0
- -3.7319 1.6631 -0.0237 C 0 0 0
- 3.4345 0.9344 0.0459 O 0 0 0
- -4.9854 1.0902 0.0890 C 0 0 0
- 4.3727 -0.1435 0.0405 C 0 0 0
- 5.2680 -0.0342 -1.1953 C 0 0 0
- 5.2349 -0.0754 1.3026 C 0 0 0
- -1.7080 -2.3620 0.0000 H 0 0 0
- 0.6885 -1.4634 0.0000 H 0 0 0
- -0.1093 0.4964 0.0000 H 0 0 0
- 1.9824 -0.8814 0.0000 H 0 0 0
- 1.1771 1.0750 0.0000 H 0 0 0
- -4.1023 -2.1214 0.0000 H 0 0 0
- -1.6678 1.2924 0.0000 H 0 0 0
- -6.0610 -0.7120 0.0000 H 0 0 0
- -3.6335 2.6928 0.0000 H 0 0 0
- -5.8277 1.6906 0.0000 H 0 0 0
- 3.9814 -1.1011 0.0000 H 0 0 0
- 5.3934 -1.0610 0.0000 H 0 0 0
- 6.2948 0.0912 0.0000 H 0 0 0
- 5.1426 0.9926 0.0000 H 0 0 0
- 5.3164 -1.1066 0.0000 H 0 0 0
- 6.2661 0.0061 0.0000 H 0 0 0
- 5.1534 0.9558 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 1 0
- 7 10 2 0
- 12 14 2 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-66-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.7347 0.2125 -0.4052 C 0 0 0
- 0.5055 0.4849 -1.0100 N 0 0 0
- 2.7380 1.1729 -0.4042 C 0 0 0
- 1.9544 -1.0177 0.2019 C 0 0 0
- -0.5054 -0.4850 -1.0101 N 0 0 0
- 3.9524 0.9002 0.1948 C 0 0 0
- 3.1707 -1.2838 0.7989 C 0 0 0
- -1.7346 -0.2125 -0.4054 C 0 0 0
- 4.1697 -0.3272 0.7931 C 0 0 0
- -2.7380 -1.1729 -0.4045 C 0 0 0
- -1.9545 1.0177 0.2016 C 0 0 0
- -3.9524 -0.9002 0.1944 C 0 0 0
- -3.1708 1.2838 0.7985 C 0 0 0
- -4.1698 0.3272 0.7926 C 0 0 0
- 0.2525 1.3874 0.0000 H 0 0 0
- 2.4868 2.0759 0.0000 H 0 0 0
- 1.2790 -1.6675 0.0000 H 0 0 0
- -0.2524 -1.3875 0.0000 H 0 0 0
- 4.6301 1.5476 0.0000 H 0 0 0
- 3.4245 -2.1861 0.0000 H 0 0 0
- 5.0606 -0.6184 0.0000 H 0 0 0
- -2.4868 -2.0759 0.0000 H 0 0 0
- -1.2791 1.6676 0.0000 H 0 0 0
- -4.6301 -1.5477 0.0000 H 0 0 0
- -3.4246 2.1861 0.0000 H 0 0 0
- -5.0607 0.6184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 7 9 1 0
- 13 14 1 0
- 2 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25413-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.4653 -1.1539 -0.1080 C 0 0 0
- 0.1022 -0.6169 -0.1072 N 0 0 0
- 2.4520 -0.0199 -0.0016 C 0 0 0
- -0.9514 -1.4527 -0.1945 C 0 0 0
- 3.7695 -0.2761 0.0161 O 0 0 0
- 2.0572 1.1199 0.0679 O 0 0 0
- -2.3535 -0.9002 -0.1937 C 0 0 0
- -0.7712 -2.6494 -0.2738 O 0 0 0
- 4.7203 0.8166 0.1187 C 0 0 0
- -3.1254 -1.4700 0.9981 C 0 0 0
- -2.2856 1.0596 -0.0540 Br 0 0 0
- 6.1438 0.2557 0.1179 C 0 0 0
- 0.9551 -2.1130 0.0000 H 0 0 0
- 2.3604 -1.7695 0.0000 H 0 0 0
- -0.0576 0.4576 0.0000 H 0 0 0
- -3.3147 -0.3940 0.0000 H 0 0 0
- 5.2305 1.7757 0.0000 H 0 0 0
- 3.8252 1.4322 0.0000 H 0 0 0
- -3.7706 -0.5960 0.0000 H 0 0 0
- -3.9994 -2.1152 0.0000 H 0 0 0
- -2.4802 -2.3440 0.0000 H 0 0 0
- 5.7456 -0.7550 0.0000 H 0 0 0
- 7.1545 -0.1425 0.0000 H 0 0 0
- 6.5420 1.2664 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 1 0
- 9 12 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39147-43-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 0.0447 0.6349 -0.0050 C 0 0 0
- 0.1505 -0.7769 -0.0037 C 0 0 0
- 1.2677 1.4622 -0.0033 C 0 0 0
- -1.1946 1.2548 -0.0022 C 0 0 0
- 1.4835 -1.4117 -0.0004 C 0 0 0
- -0.9836 -1.5737 -0.0048 C 0 0 0
- 2.5327 0.8514 -0.0006 C 0 0 0
- 1.1728 2.8547 -0.0039 C 0 0 0
- -2.3597 0.4798 0.0017 C 0 0 0
- 2.6431 -0.6184 0.0009 C 0 0 0
- 1.5990 -2.8027 0.0018 C 0 0 0
- -2.2505 -0.9807 -0.0078 C 0 0 0
- 3.6813 1.6448 0.0014 C 0 0 0
- 2.3180 3.6203 -0.0018 C 0 0 0
- -3.6376 1.0660 0.0052 C 0 0 0
- 3.8977 -1.2304 0.0044 C 0 0 0
- 2.8462 -3.3878 0.0053 C 0 0 0
- -3.4285 -1.7509 -0.0090 C 0 0 0
- 3.5672 3.0176 0.0009 C 0 0 0
- -4.7431 0.2654 0.0093 C 0 0 0
- 3.9909 -2.6048 0.0066 C 0 0 0
- -4.6365 -1.1284 -0.0118 C 0 0 0
- -5.9760 0.8365 0.0126 O 0 0 0
- -1.2590 2.2997 0.0000 H 0 0 0
- -0.8923 -2.6166 0.0000 H 0 0 0
- 0.2332 3.3164 0.0000 H 0 0 0
- 0.7394 -3.4003 0.0000 H 0 0 0
- 4.6278 1.1973 0.0000 H 0 0 0
- 2.2449 4.6647 0.0000 H 0 0 0
- -3.7404 2.1079 0.0000 H 0 0 0
- 4.7663 -0.6459 0.0000 H 0 0 0
- 2.9305 -4.4313 0.0000 H 0 0 0
- -3.3745 -2.7964 0.0000 H 0 0 0
- 4.4300 3.6106 0.0000 H 0 0 0
- 4.9329 -3.0617 0.0000 H 0 0 0
- -5.5090 -1.7071 0.0000 H 0 0 0
- -6.9260 1.2765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 2 0
- 16 21 2 0
- 18 22 2 0
- 20 23 1 0
- 7 10 1 0
- 9 12 2 0
- 14 19 1 0
- 17 21 1 0
- 20 22 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-137-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.2248 0.7650 0.0016 C 0 0 0
- -1.2154 -0.7121 0.0006 C 0 0 0
- -0.0686 1.4424 0.0016 C 0 0 0
- -2.5347 1.5101 -0.0036 C 0 0 0
- 0.0686 -1.4424 -0.0005 C 0 0 0
- -2.2632 -1.3260 0.0010 O 0 0 0
- 1.2154 0.7121 0.0006 C 0 0 0
- 1.2248 -0.7650 -0.0004 C 0 0 0
- 2.2632 1.3260 0.0002 O 0 0 0
- 2.5347 -1.5101 -0.0015 C 0 0 0
- -0.0757 2.5502 0.0000 H 0 0 0
- -1.9869 2.4731 0.0000 H 0 0 0
- -3.4977 2.0579 0.0000 H 0 0 0
- -3.0825 0.5471 0.0000 H 0 0 0
- 0.0757 -2.5502 0.0000 H 0 0 0
- 1.9869 -2.4731 0.0000 H 0 0 0
- 3.4977 -2.0579 0.0000 H 0 0 0
- 3.0825 -0.5471 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 2 0
- 7 9 2 0
- 8 10 1 0
- 7 8 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120065-51-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.4651 -0.1010 0.9594 C 0 0 0
- -1.8059 -0.0651 1.6464 C 0 0 0
- 0.2007 1.0779 0.6813 C 0 0 0
- 0.1017 -1.3134 0.6125 C 0 0 0
- -2.8986 0.0133 0.6114 C 0 0 0
- 1.4308 1.0450 0.0511 C 0 0 0
- 1.3315 -1.3462 -0.0175 C 0 0 0
- -3.4505 -1.1460 0.1000 C 0 0 0
- -3.3528 1.2451 0.1778 C 0 0 0
- 1.9948 -0.1667 -0.3009 C 0 0 0
- -4.4529 -1.0740 -0.8495 C 0 0 0
- -4.3549 1.3170 -0.7714 C 0 0 0
- 3.3356 -0.2026 -0.9878 C 0 0 0
- -4.9030 0.1573 -1.2872 C 0 0 0
- 4.4449 -0.2822 0.0629 C 0 0 0
- 5.8062 -0.3186 -0.6346 C 0 0 0
- 5.2826 0.8709 -0.0405 O 0 0 0
- -2.3450 -0.8874 0.0000 H 0 0 0
- -1.3502 -0.9364 0.0000 H 0 0 0
- -0.2836 1.9336 0.0000 H 0 0 0
- -0.4372 -2.1358 0.0000 H 0 0 0
- 1.9704 1.8669 0.0000 H 0 0 0
- 1.8166 -2.2015 0.0000 H 0 0 0
- -2.9557 -1.9956 0.0000 H 0 0 0
- -2.7620 2.0311 0.0000 H 0 0 0
- -5.0448 -1.8591 0.0000 H 0 0 0
- -4.8510 2.1659 0.0000 H 0 0 0
- 3.8747 0.6197 0.0000 H 0 0 0
- 2.8799 0.6687 0.0000 H 0 0 0
- -5.8852 0.2020 0.0000 H 0 0 0
- 4.3966 -1.2643 0.0000 H 0 0 0
- 5.9243 -1.2947 0.0000 H 0 0 0
- 6.7545 -0.0587 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 1 0
- 15 16 1 0
- 15 17 1 0
- 7 10 1 0
- 12 14 1 0
- 16 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22506-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.9710 0.5189 0.0215 C 0 0 0
- -0.1521 -0.6919 -0.0149 C 0 0 0
- -0.2327 1.5802 0.0513 C 0 0 0
- -2.4285 0.4835 0.0170 C 0 0 0
- 1.2282 -0.1836 -0.0028 C 0 0 0
- -0.7829 -1.8392 -0.0471 C 0 0 0
- 1.1720 1.1426 0.0364 C 0 0 0
- -0.9468 2.8707 0.0893 C 0 0 0
- -3.0461 -0.8529 -0.0258 C 0 0 0
- -3.0643 1.6299 0.0513 C 0 0 0
- 2.5318 -0.8648 -0.0264 C 0 0 0
- -2.2532 -1.9092 -0.0471 C 0 0 0
- 2.4276 1.9160 0.0568 C 0 0 0
- -2.2679 2.8763 0.0906 C 0 0 0
- -4.3936 -0.9955 -0.0330 N 0 3 0
- 3.6471 -0.1679 -0.0081 C 0 0 0
- 3.5897 1.3034 0.0351 C 0 0 0
- -4.9249 -1.7992 0.7122 O 0 0 0
- -5.0734 -0.3201 -0.7848 O 0 5 0
- 4.8448 -0.8011 -0.0302 N 0 3 0
- 5.8764 -0.1538 -0.0132 O 0 0 0
- 4.8898 -2.0177 -0.0670 O 0 5 0
- -0.2450 -2.7012 0.0000 H 0 0 0
- -0.4289 3.7449 0.0000 H 0 0 0
- -4.0799 1.6615 0.0000 H 0 0 0
- 2.5709 -1.8801 0.0000 H 0 0 0
- -2.6857 -2.8287 0.0000 H 0 0 0
- 2.3936 2.9315 0.0000 H 0 0 0
- -2.7541 3.7685 0.0000 H 0 0 0
- 4.4493 1.8451 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 1 0
- 20 21 2 0
- 20 22 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 16 17 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21626-89-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.0012 0.7053 -0.5976 N 0 0 0
- -0.0016 -0.6978 -0.6031 N 0 0 0
- 1.1376 1.3667 -0.2936 C 0 0 0
- -1.2232 1.4390 -0.9265 C 0 0 0
- -1.1355 -1.3624 -0.2978 C 0 0 0
- 1.2229 -1.4289 -0.9380 C 0 0 0
- 2.3435 0.5842 0.0593 C 0 0 0
- 1.1704 2.5817 -0.3097 O 0 0 0
- -2.3948 0.7801 -0.2428 C 0 0 0
- -2.3417 -0.5841 0.0628 C 0 0 0
- -1.1660 -2.5774 -0.3189 O 0 0 0
- 2.3925 -0.7780 -0.2433 C 0 0 0
- 3.4262 1.1939 0.6906 C 0 0 0
- -3.5126 1.5136 0.0924 C 0 0 0
- -3.4216 -1.2003 0.6927 C 0 0 0
- 3.5062 -1.5170 0.0932 C 0 0 0
- 4.5372 0.4436 1.0197 C 0 0 0
- -4.5834 0.8977 0.7167 C 0 0 0
- -4.5345 -0.4551 1.0268 C 0 0 0
- 4.5757 -0.9075 0.7259 C 0 0 0
- -0.5663 2.1990 0.0000 H 0 0 0
- -1.8589 2.2168 0.0000 H 0 0 0
- 0.5657 -2.1886 0.0000 H 0 0 0
- 1.8567 -2.2083 0.0000 H 0 0 0
- 3.4669 2.1976 0.0000 H 0 0 0
- -3.4831 2.5177 0.0000 H 0 0 0
- -3.4575 -2.2042 0.0000 H 0 0 0
- 3.4721 -2.5209 0.0000 H 0 0 0
- 5.4175 0.9275 0.0000 H 0 0 0
- -5.4619 1.3849 0.0000 H 0 0 0
- -5.4119 -0.9441 0.0000 H 0 0 0
- 5.4513 -1.3998 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 2 0
- 9 10 2 0
- 17 20 1 0
- 18 19 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-54-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.5252 0.6974 0.0018 C 0 0 0
- -0.5252 -0.6974 0.0004 C 0 0 0
- 0.6780 1.3866 0.0017 C 0 0 0
- -1.7366 1.3995 -0.0025 N 0 0 0
- 0.6780 -1.3866 -0.0011 C 0 0 0
- -1.7366 -1.3995 0.0010 N 0 0 0
- 1.8731 0.6913 0.0001 C 0 0 0
- 1.8731 -0.6913 -0.0013 C 0 0 0
- 0.6815 2.4266 0.0000 H 0 0 0
- -1.7349 2.4395 0.0000 H 0 0 0
- -2.6381 0.8810 0.0000 H 0 0 0
- 0.6815 -2.4266 0.0000 H 0 0 0
- -2.6381 -0.8810 0.0000 H 0 0 0
- -1.7349 -2.4395 0.0000 H 0 0 0
- 2.7746 1.2098 0.0000 H 0 0 0
- 2.7746 -1.2098 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2157-01-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- -2.2642 -0.2437 0.0000 O 0 0 0
- -3.4758 0.3471 0.0000 C 0 0 0
- -1.0605 0.5683 0.0000 C 0 0 0
- -4.6940 -0.4747 0.0000 C 0 0 0
- -3.5606 1.5595 0.0000 O 0 0 0
- 0.1690 -0.3423 0.0000 C 0 0 0
- -4.5888 -1.9780 0.0000 C 0 0 0
- -5.8902 0.1086 0.0000 C 0 0 0
- 1.4374 0.5133 0.0000 C 0 0 0
- 2.6669 -0.3973 0.0000 C 0 0 0
- 3.9353 0.4583 0.0000 C 0 0 0
- 5.1647 -0.4523 0.0000 C 0 0 0
- 6.4331 0.4033 0.0000 C 0 0 0
- 7.6626 -0.5073 0.0000 C 0 0 0
- -0.2777 1.4073 0.0000 H 0 0 0
- -1.8056 1.4409 0.0000 H 0 0 0
- -0.6138 -1.1813 0.0000 H 0 0 0
- 0.9141 -1.2149 0.0000 H 0 0 0
- -5.7334 -2.0581 0.0000 H 0 0 0
- -4.5087 -3.1226 0.0000 H 0 0 0
- -3.4442 -1.8979 0.0000 H 0 0 0
- -5.9703 1.2532 0.0000 H 0 0 0
- -6.8414 -0.5331 0.0000 H 0 0 0
- 2.2202 1.3523 0.0000 H 0 0 0
- 0.6923 1.3859 0.0000 H 0 0 0
- 1.8841 -1.2363 0.0000 H 0 0 0
- 3.4120 -1.2699 0.0000 H 0 0 0
- 4.7181 1.2972 0.0000 H 0 0 0
- 3.1902 1.3309 0.0000 H 0 0 0
- 4.3819 -1.2912 0.0000 H 0 0 0
- 5.9098 -1.3249 0.0000 H 0 0 0
- 7.2159 1.2423 0.0000 H 0 0 0
- 5.6880 1.2759 0.0000 H 0 0 0
- 6.9797 -1.4294 0.0000 H 0 0 0
- 8.5847 -1.1902 0.0000 H 0 0 0
- 8.3455 0.4148 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 3 15 1 0
- 3 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3096-64-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.6526 0.0202 0.0022 C 0 0 0
- -0.3030 -1.3244 0.0007 C 0 0 0
- 0.3393 0.9925 0.0019 C 0 0 0
- -1.9985 0.3935 -0.0020 N 0 0 0
- 1.0286 -1.6899 -0.0010 C 0 0 0
- -1.3758 -2.3827 0.0004 C 0 0 0
- 1.6694 0.6198 0.0003 C 0 0 0
- -2.3530 1.7644 -0.0005 O 0 0 0
- 2.0138 -0.7192 -0.0012 C 0 0 0
- 2.7463 1.6740 -0.0005 C 0 0 0
- 0.0804 2.0017 0.0000 H 0 0 0
- -2.7416 -0.3367 0.0000 H 0 0 0
- 1.2915 -2.6980 0.0000 H 0 0 0
- -2.1075 -1.6410 0.0000 H 0 0 0
- -2.1175 -3.1144 0.0000 H 0 0 0
- -0.6441 -3.1244 0.0000 H 0 0 0
- -2.6138 2.7731 0.0000 H 0 0 0
- 3.0178 -0.9976 0.0000 H 0 0 0
- 3.4751 0.9295 0.0000 H 0 0 0
- 3.4908 2.4028 0.0000 H 0 0 0
- 2.0175 2.4185 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 9 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-48-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.0983 0.1068 -0.0127 C 0 0 0
- -1.1290 0.5907 0.2350 O 0 0 0
- 1.3144 0.8517 0.4745 C 0 0 0
- 0.2279 -0.9285 -0.6219 O 0 0 0
- -2.3007 -0.1270 -0.2344 C 0 0 0
- 2.8021 -0.0439 -0.0107 Cl 0 0 0
- -2.7544 -1.1193 0.8382 C 0 0 0
- -3.4280 0.8676 -0.5186 C 0 0 0
- 1.9796 1.6388 0.0000 H 0 0 0
- 0.6432 1.6336 0.0000 H 0 0 0
- -1.5294 -0.8104 0.0000 H 0 0 0
- -3.6916 -0.6908 0.0000 H 0 0 0
- -3.1829 -2.0565 0.0000 H 0 0 0
- -1.8172 -1.5478 0.0000 H 0 0 0
- -2.7462 1.6404 0.0000 H 0 0 0
- -4.2008 1.5494 0.0000 H 0 0 0
- -4.1098 0.0948 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 3 1 0
- 7 5 1 0
- 8 5 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25870-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -2.4453 -0.9086 -0.0048 C 0 0 0
- -3.6667 -1.5845 -0.0046 C 0 0 0
- -2.4272 0.4876 -0.0026 C 0 0 0
- -1.1761 -1.6680 -0.0013 C 0 0 0
- -4.8469 -0.8701 -0.0021 C 0 0 0
- -3.6143 1.1896 -0.0002 C 0 0 0
- 0.1014 -0.9567 -0.0016 C 0 0 0
- -1.1950 -2.8851 0.0019 O 0 0 0
- -4.8218 0.5132 0.0000 C 0 0 0
- 1.2606 -1.6502 0.0017 C 0 0 0
- -6.0920 1.2732 0.0026 N 0 3 0
- 2.5458 -0.9346 0.0014 C 0 0 0
- -6.0731 2.4910 0.0046 O 0 0 0
- -7.1562 0.6806 0.0029 O 0 5 0
- 3.7484 -1.6491 0.0047 C 0 0 0
- 2.5719 0.4643 -0.0080 C 0 0 0
- 4.9490 -0.9708 0.0045 C 0 0 0
- 3.7804 1.1275 -0.0082 C 0 0 0
- 4.9662 0.4130 0.0009 C 0 0 0
- 6.2594 1.1331 0.0012 N 0 3 0
- 6.2784 2.3510 -0.0019 O 0 0 0
- 7.3047 0.5078 0.0045 O 0 5 0
- -3.6869 -2.6222 0.0000 H 0 0 0
- -1.5223 0.9960 0.0000 H 0 0 0
- -5.7557 -1.3715 0.0000 H 0 0 0
- -3.6021 2.2275 0.0000 H 0 0 0
- 0.1175 0.0811 0.0000 H 0 0 0
- 1.2445 -2.6880 0.0000 H 0 0 0
- 3.7371 -2.6870 0.0000 H 0 0 0
- 1.6837 1.0013 0.0000 H 0 0 0
- 5.8422 -1.4995 0.0000 H 0 0 0
- 3.8014 2.1652 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 6 9 1 0
- 18 19 1 0
- 2 23 1 0
- 3 24 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 10 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26266-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.8490 0.0457 0.4643 C 0 0 0
- 0.4550 0.0435 -0.2913 C 0 0 0
- -1.2920 1.4889 0.7126 C 0 0 0
- -1.8996 -0.6701 -0.3450 C 0 0 0
- 1.5150 -0.5197 0.2333 C 0 0 0
- -1.4778 2.2032 -0.6276 C 0 0 0
- -2.3690 -1.7074 0.0575 O 0 0 0
- 2.8189 -0.5219 -0.5222 C 0 0 0
- 3.8856 0.2049 0.2993 C 0 0 0
- -0.5667 -0.8727 0.0000 H 0 0 0
- 0.6881 0.9756 0.0000 H 0 0 0
- -2.2218 1.7309 0.0000 H 0 0 0
- -1.9565 0.7950 0.0000 H 0 0 0
- -2.6352 -0.0520 0.0000 H 0 0 0
- 1.2819 -1.4518 0.0000 H 0 0 0
- -0.5480 2.4451 0.0000 H 0 0 0
- -1.7197 3.1330 0.0000 H 0 0 0
- -2.4076 1.9613 0.0000 H 0 0 0
- 2.5118 -1.4323 0.0000 H 0 0 0
- 3.5843 -1.1026 0.0000 H 0 0 0
- 4.4266 -0.5891 0.0000 H 0 0 0
- 4.6796 0.7459 0.0000 H 0 0 0
- 3.3446 0.9989 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17369-59-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.4323 0.6614 0.0800 C 0 0 0
- -1.2213 -0.5024 -0.0351 C 0 0 0
- 0.9632 0.1958 0.1822 C 0 0 0
- -1.0408 1.9100 0.0823 C 0 0 0
- -0.2849 -1.6354 0.0006 C 0 0 0
- -2.6037 -0.3892 -0.1503 C 0 0 0
- 0.9657 -1.1592 0.1281 O 0 0 0
- 2.0396 0.9748 0.3061 C 0 0 0
- -2.4145 2.0026 -0.0281 C 0 0 0
- -0.5912 -2.8095 -0.0730 O 0 0 0
- -3.1900 0.8603 -0.1510 C 0 0 0
- 3.4106 0.3562 0.4002 C 0 0 0
- 4.2750 0.8531 -0.7603 C 0 0 0
- -0.4628 2.7690 0.0000 H 0 0 0
- -3.1942 -1.2397 0.0000 H 0 0 0
- 1.9349 2.0048 0.0000 H 0 0 0
- -2.8681 2.9333 0.0000 H 0 0 0
- -4.2221 0.9418 0.0000 H 0 0 0
- 2.7987 -0.4790 0.0000 H 0 0 0
- 4.1011 -0.4152 0.0000 H 0 0 0
- 4.7910 -0.0445 0.0000 H 0 0 0
- 5.1726 1.3691 0.0000 H 0 0 0
- 3.7590 1.7507 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 1 0
- 12 13 1 0
- 5 7 1 0
- 9 11 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-842-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 1.9418 -0.4418 -0.0547 C 0 0 0
- 0.8202 0.4825 -0.2186 C 0 0 0
- 3.2473 0.0858 0.0952 C 0 0 0
- 1.7492 -1.8278 -0.0375 C 0 0 0
- -0.4478 0.0167 -0.3657 N 0 0 0
- 1.0817 1.8554 -0.2209 C 0 0 0
- 3.4382 1.4791 0.0830 C 0 0 0
- 4.3294 -0.7966 0.2531 C 0 0 0
- 2.8218 -2.6555 0.1181 C 0 0 0
- -1.4020 0.5064 0.3510 N 0 0 0
- 2.3854 2.3251 -0.0698 C 0 0 0
- 0.0608 2.7361 -0.3716 O 0 0 0
- 4.1076 -2.1404 0.2597 C 0 0 0
- -2.6773 0.0379 0.2030 C 0 0 0
- -3.7137 0.5660 0.9777 C 0 0 0
- -2.9525 -0.9677 -0.7282 C 0 0 0
- -4.9983 0.0885 0.8223 C 0 0 0
- -4.2417 -1.4350 -0.8723 C 0 0 0
- -5.2621 -0.9108 -0.0977 C 0 0 0
- 0.8035 -2.2140 0.0000 H 0 0 0
- 4.3872 1.8569 0.0000 H 0 0 0
- 5.2848 -0.4353 0.0000 H 0 0 0
- 2.6812 -3.6673 0.0000 H 0 0 0
- 2.5537 3.3326 0.0000 H 0 0 0
- -0.7127 3.4033 0.0000 H 0 0 0
- 4.9040 -2.7801 0.0000 H 0 0 0
- -3.6548 1.5858 0.0000 H 0 0 0
- -2.2017 -1.6603 0.0000 H 0 0 0
- -5.7550 0.7746 0.0000 H 0 0 0
- -4.3064 -2.4544 0.0000 H 0 0 0
- -6.1952 -1.3265 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 7 11 1 0
- 9 13 1 0
- 18 19 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103748-25-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.3481 0.6812 -0.0045 C 0 0 0
- 0.7658 -0.6596 -0.0018 C 0 0 0
- 1.4692 1.4495 -0.0029 N 0 0 0
- -1.0175 0.9764 -0.0030 C 0 0 0
- 2.1513 -0.6315 0.0014 N 0 0 0
- -0.1749 -1.6783 -0.0024 C 0 0 0
- 2.5294 0.6805 0.0006 C 0 0 0
- -1.9388 -0.0481 0.0011 C 0 0 0
- 3.0440 -1.7931 0.0045 C 0 0 0
- -1.5199 -1.3714 -0.0055 C 0 0 0
- 3.8334 1.1290 0.0031 N 0 0 0
- -3.6356 0.3188 0.0031 Cl 0 0 0
- -1.3373 1.9653 0.0000 H 0 0 0
- 0.1327 -2.6711 0.0000 H 0 0 0
- 2.2199 -2.4264 0.0000 H 0 0 0
- 3.6773 -2.6172 0.0000 H 0 0 0
- 3.8681 -1.1598 0.0000 H 0 0 0
- -2.2240 -2.1359 0.0000 H 0 0 0
- 4.6176 0.4469 0.0000 H 0 0 0
- 4.0321 2.1492 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 5 7 1 0
- 8 10 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1892-54-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.9571 -0.3659 -0.0012 C 0 0 0
- -0.4815 -0.0837 -0.0004 C 0 0 0
- 1.8619 0.7199 -0.0010 C 0 0 0
- 1.4456 -1.6736 0.0037 C 0 0 0
- -0.9094 1.2638 0.0006 C 0 0 0
- -1.4254 -1.1108 -0.0010 C 0 0 0
- 1.3704 2.0457 0.0004 C 0 0 0
- 3.2400 0.4613 -0.0018 C 0 0 0
- 2.7938 -1.8925 0.0032 C 0 0 0
- 0.0469 2.3052 0.0003 C 0 0 0
- -2.2828 1.5496 0.0014 C 0 0 0
- -2.7725 -0.7990 -0.0007 C 0 0 0
- 3.6868 -0.8275 -0.0027 C 0 0 0
- -3.1902 0.5339 0.0012 C 0 0 0
- -3.7211 -1.8228 -0.0018 N 0 0 0
- 0.7815 -2.4830 0.0000 H 0 0 0
- -1.1159 -2.1110 0.0000 H 0 0 0
- 2.0486 2.8433 0.0000 H 0 0 0
- 3.9235 1.2544 0.0000 H 0 0 0
- 3.1587 -2.8738 0.0000 H 0 0 0
- -0.2796 3.2999 0.0000 H 0 0 0
- -2.6104 2.5440 0.0000 H 0 0 0
- 4.7165 -1.0170 0.0000 H 0 0 0
- -4.2136 0.7549 0.0000 H 0 0 0
- -4.7420 -1.5905 0.0000 H 0 0 0
- -3.4118 -2.8230 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 12 15 1 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-83-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 52 1 V2000
- 4.5763 0.9243 -0.0194 C 0 0 0
- 3.8026 -0.2488 0.3877 C 0 0 0
- 5.9889 0.8348 -0.0523 C 0 0 0
- 3.9501 2.1225 -0.3796 C 0 0 0
- 2.4465 -0.2046 0.4321 N 0 0 0
- 4.4914 -1.4169 0.7296 C 0 0 0
- 6.6165 -0.3725 0.3043 C 0 0 0
- 6.7381 1.9577 -0.4422 C 0 0 0
- 4.7076 3.1933 -0.7536 C 0 0 0
- 1.7522 -1.1383 -0.1248 N 0 0 0
- 5.8839 -1.4539 0.6808 C 0 0 0
- 3.8005 -2.5200 1.1112 O 0 0 0
- 6.0971 3.1108 -0.7814 C 0 0 0
- 0.3922 -1.0423 -0.1699 C 0 0 0
- -0.3686 -2.1077 -0.6655 C 0 0 0
- -0.2431 0.1195 0.2850 C 0 0 0
- -1.7297 -2.0119 -0.7101 C 0 0 0
- 0.3149 -3.3603 -1.1502 C 0 0 0
- -1.6039 0.2153 0.2403 C 0 0 0
- -2.3645 -0.8483 -0.2603 C 0 0 0
- -3.7247 -0.7524 -0.3053 N 0 0 0
- -4.3098 0.3200 0.1092 N 0 0 0
- -5.6718 0.4160 0.0641 C 0 0 0
- -6.3093 1.5764 0.5124 C 0 0 0
- -6.4346 -0.6436 -0.4359 C 0 0 0
- -7.6847 1.6659 0.4638 C 0 0 0
- -5.4959 2.7264 1.0479 C 0 0 0
- -7.8088 -0.5394 -0.4782 C 0 0 0
- -8.4333 0.6107 -0.0272 C 0 0 0
- 2.9369 2.1905 0.0000 H 0 0 0
- 7.6303 -0.4314 0.0000 H 0 0 0
- 7.7528 1.9166 0.0000 H 0 0 0
- 4.2678 4.1086 0.0000 H 0 0 0
- 6.3478 -2.3573 0.0000 H 0 0 0
- 3.2615 -3.3806 0.0000 H 0 0 0
- 6.6377 3.9705 0.0000 H 0 0 0
- 0.3052 0.9743 0.0000 H 0 0 0
- -2.2784 -2.8664 0.0000 H 0 0 0
- -0.5765 -3.8467 0.0000 H 0 0 0
- 0.8013 -4.2517 0.0000 H 0 0 0
- 1.2063 -2.8739 0.0000 H 0 0 0
- -2.0363 1.1341 0.0000 H 0 0 0
- -6.0061 -1.5643 0.0000 H 0 0 0
- -8.1213 2.5828 0.0000 H 0 0 0
- -4.6668 2.1400 0.0000 H 0 0 0
- -4.9095 3.5555 0.0000 H 0 0 0
- -6.3250 3.3128 0.0000 H 0 0 0
- -8.3607 -1.3919 0.0000 H 0 0 0
- -9.4470 0.6714 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 20 21 1 0
- 21 22 2 0
- 22 23 1 0
- 23 24 2 0
- 23 25 1 0
- 24 26 1 0
- 24 27 1 0
- 25 28 2 0
- 26 29 2 0
- 7 11 1 0
- 9 13 1 0
- 19 20 1 0
- 28 29 1 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 12 35 1 0
- 13 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 25 43 1 0
- 26 44 1 0
- 27 45 1 0
- 27 46 1 0
- 27 47 1 0
- 28 48 1 0
- 29 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-86-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.4372 -0.0735 0.0000 C 0 0 0
- -1.0333 -0.0088 0.0000 C 0 0 0
- 0.9151 -0.8165 1.2492 C 0 0 0
- 0.9151 -0.8165 -1.2492 C 0 0 0
- 0.9723 1.2515 0.0000 O 0 0 0
- -2.1682 0.0411 0.0000 N 0 0 0
- 0.1985 -1.2774 0.0000 H 0 0 0
- 1.3760 -1.5331 0.0000 H 0 0 0
- 1.6317 -0.3556 0.0000 H 0 0 0
- 0.1985 -1.2774 0.0000 H 0 0 0
- 1.3760 -1.5331 0.0000 H 0 0 0
- 1.6317 -0.3556 0.0000 H 0 0 0
- 1.2913 2.0415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 3 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.2048 -0.3229 0.0036 C 0 0 0
- 0.7224 -1.3545 0.0020 C 0 0 0
- 0.2272 0.9955 0.0033 C 0 0 0
- -1.5347 -0.6033 -0.0001 O 0 0 0
- 2.0739 -1.0675 0.0000 C 0 0 0
- 0.2559 -2.7875 0.0019 C 0 0 0
- 1.5791 1.2784 0.0013 C 0 0 0
- -2.2211 0.6501 0.0028 C 0 0 0
- 2.5026 0.2478 -0.0003 C 0 0 0
- -3.7085 0.4082 -0.0011 C 0 0 0
- 4.2013 0.6059 -0.0022 Cl 0 0 0
- -4.5575 1.4479 0.0007 O 0 0 0
- -4.1369 -0.7215 -0.0058 O 0 0 0
- -0.4651 1.7687 0.0000 H 0 0 0
- 2.7679 -1.8392 0.0000 H 0 0 0
- -0.7310 -2.4662 0.0000 H 0 0 0
- -0.0654 -3.7744 0.0000 H 0 0 0
- 1.2428 -3.1088 0.0000 H 0 0 0
- 1.9026 2.2646 0.0000 H 0 0 0
- -1.2603 1.0425 0.0000 H 0 0 0
- -2.5024 1.6491 0.0000 H 0 0 0
- -5.2139 2.2518 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86247-86-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- -2.2747 0.0603 -0.0905 C 0 0 0
- -3.3069 0.9708 0.0030 C 0 0 0
- -0.9534 0.5262 -0.0788 C 0 0 0
- -2.4538 -1.2770 -0.2108 O 0 0 0
- -3.0335 2.3281 0.0914 C 0 0 0
- -4.7533 0.5369 0.0273 C 0 0 0
- -0.6877 1.8788 0.0142 C 0 0 0
- 0.0753 -0.3597 -0.1599 O 0 0 0
- -3.6938 -1.6683 0.3591 C 0 0 0
- -1.7307 2.7830 0.0974 C 0 0 0
- -4.8309 -0.9414 -0.3711 C 0 0 0
- 1.2823 0.4046 -0.1246 C 0 0 0
- -6.0865 -1.4817 0.0453 O 0 0 0
- 2.4849 -0.5371 -0.2126 C 0 0 0
- 3.7772 0.2812 -0.1749 C 0 0 0
- 2.4624 -1.4431 0.8923 O 0 0 0
- 4.9319 -0.6230 -0.2594 N 0 0 0
- 6.1331 0.2215 -0.2183 C 0 0 0
- 6.5741 0.4106 1.2346 C 0 0 0
- 7.2570 -0.4515 -1.0088 C 0 0 0
- -3.8138 3.0080 0.0000 H 0 0 0
- -4.9353 1.5557 0.0000 H 0 0 0
- -5.7863 0.4726 0.0000 H 0 0 0
- 0.2910 2.2154 0.0000 H 0 0 0
- -4.4369 -2.3887 0.0000 H 0 0 0
- -3.1637 -2.5572 0.0000 H 0 0 0
- -1.5361 3.7995 0.0000 H 0 0 0
- -4.9149 -1.9729 0.0000 H 0 0 0
- 2.0089 1.1416 0.0000 H 0 0 0
- 0.6327 1.2103 0.0000 H 0 0 0
- -7.0372 -1.8908 0.0000 H 0 0 0
- 1.5489 -0.9787 0.0000 H 0 0 0
- 4.5038 1.0182 0.0000 H 0 0 0
- 3.1277 1.0869 0.0000 H 0 0 0
- 2.4367 -2.4777 0.0000 H 0 0 0
- 4.9052 -1.6576 0.0000 H 0 0 0
- 5.6288 1.1253 0.0000 H 0 0 0
- 6.9820 -0.5406 0.0000 H 0 0 0
- 7.5253 0.8185 0.0000 H 0 0 0
- 6.1662 1.3618 0.0000 H 0 0 0
- 6.7253 -1.3394 0.0000 H 0 0 0
- 8.1449 -0.9832 0.0000 H 0 0 0
- 7.7887 0.4364 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 7 10 1 0
- 9 11 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 20 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75586-70-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.3976 0.6215 -0.1411 C 0 0 0
- -3.1405 -0.4252 0.4616 C 0 0 0
- -1.1126 0.4024 -0.5678 N 0 3 0
- -2.9821 1.8731 -0.2901 C 0 0 0
- -2.5594 -1.6877 0.6212 C 0 0 0
- -4.4619 -0.1853 0.8958 C 0 0 0
- -0.5266 -0.8283 -0.4191 C 0 0 0
- -0.3588 1.4942 -1.1890 C 0 0 0
- -4.2788 2.0852 0.1495 C 0 0 0
- -1.2415 -1.8927 0.1772 C 0 0 0
- -5.0139 1.0444 0.7345 C 0 0 0
- 0.7800 -1.0447 -0.8554 C 0 0 0
- -4.8590 3.3355 -0.0008 N 0 0 0
- -0.6247 -3.1496 0.3219 C 0 0 0
- 1.3575 -2.2839 -0.7015 C 0 0 0
- 0.6531 -3.3303 -0.1135 C 0 0 0
- 10.7603 1.1346 0.3426 Cl 0 0 0
- -2.3799 2.6685 0.0000 H 0 0 0
- -3.1607 -2.4838 0.0000 H 0 0 0
- -5.0769 -0.9709 0.0000 H 0 0 0
- 0.4622 0.9274 0.0000 H 0 0 0
- 0.2080 2.3152 0.0000 H 0 0 0
- -1.1798 2.0610 0.0000 H 0 0 0
- -6.0069 1.1405 0.0000 H 0 0 0
- 1.3833 -0.2501 0.0000 H 0 0 0
- -4.2852 4.1517 0.0000 H 0 0 0
- -5.8527 3.4243 0.0000 H 0 0 0
- -1.2105 -3.9572 0.0000 H 0 0 0
- 2.3521 -2.3618 0.0000 H 0 0 0
- 1.0589 -4.2417 0.0000 H 0 0 0
- 11.7580 1.1346 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 10 1 0
- 9 11 1 0
- 15 16 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-645-45-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.5341 -0.3944 0.0058 C 0 0 0
- 0.1242 -0.9264 0.0134 C 0 0 0
- 2.1807 -0.1331 1.1991 C 0 0 0
- 2.1830 -0.1729 -1.1948 C 0 0 0
- -0.8622 0.2430 -0.0035 C 0 0 0
- 3.4742 0.3550 1.1922 C 0 0 0
- 3.4761 0.3151 -1.2018 C 0 0 0
- -2.2722 -0.2891 0.0041 C 0 0 0
- 4.1207 0.5818 -0.0082 C 0 0 0
- -2.4679 -1.4807 0.0213 O 0 0 0
- -3.6151 0.8109 -0.0117 Cl 0 0 0
- -0.7386 -1.5009 0.0000 H 0 0 0
- 0.5975 -1.8487 0.0000 H 0 0 0
- 1.8035 0.8324 0.0000 H 0 0 0
- 2.5335 -1.1484 0.0000 H 0 0 0
- 0.0006 0.8175 0.0000 H 0 0 0
- -1.3355 1.1652 0.0000 H 0 0 0
- 3.1196 1.3291 0.0000 H 0 0 0
- 3.8573 -0.6489 0.0000 H 0 0 0
- 5.0891 0.9517 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 7 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5134-49-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 3.1935 0.5998 0.0018 C 0 0 0
- 2.2981 -0.4755 0.0002 C 0 0 0
- 4.5845 0.3239 0.0012 C 0 0 0
- 3.0718 1.9378 -0.0013 N 0 0 0
- 0.9481 -0.2633 0.0003 N 0 0 0
- 2.8040 -1.7332 -0.0019 N 0 0 0
- 5.1976 1.5057 0.0030 N 0 0 0
- 5.0005 -0.9567 -0.0013 N 0 0 0
- 4.2788 2.4619 0.0026 C 0 0 0
- 0.0274 -1.4028 -0.0014 C 0 0 0
- 4.1462 -1.9389 -0.0024 C 0 0 0
- -1.3935 -0.9006 -0.0009 C 0 0 0
- -2.0448 -0.6687 -1.1977 C 0 0 0
- -2.0473 -0.6773 1.1966 C 0 0 0
- -3.3484 -0.2079 -1.1973 C 0 0 0
- -3.3504 -0.2167 1.1970 C 0 0 0
- -4.0001 0.0208 -0.0001 C 0 0 0
- -5.3957 0.5140 0.0004 N 0 3 0
- -5.9700 0.7156 1.0554 O 0 0 0
- -5.9697 0.7184 -1.0543 O 0 5 0
- 0.5855 0.6780 0.0000 H 0 0 0
- 2.1774 -2.5237 0.0000 H 0 0 0
- 4.4771 3.4510 0.0000 H 0 0 0
- -0.4141 -2.3098 0.0000 H 0 0 0
- 0.8787 -1.9440 0.0000 H 0 0 0
- 4.4935 -2.8860 0.0000 H 0 0 0
- -1.7075 0.2820 0.0000 H 0 0 0
- -2.3784 -1.6302 0.0000 H 0 0 0
- -3.0133 0.7436 0.0000 H 0 0 0
- -3.6917 -1.1660 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 7 9 1 0
- 8 11 2 0
- 16 17 1 0
- 5 21 1 0
- 6 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93285-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 47 1 V2000
- 0.1387 0.1387 0.0033 C 0 0 0
- -1.2419 -0.0148 -0.0011 C 0 0 0
- 0.4852 1.5527 0.0075 C 0 0 0
- 1.0726 -0.8992 -0.0015 C 0 0 0
- -1.8046 1.3291 0.0006 C 0 0 0
- -1.7213 -1.3469 -0.0065 C 0 0 0
- -0.7990 2.2511 0.0049 C 0 0 0
- 1.8237 1.8812 0.0119 C 0 0 0
- 2.4888 -0.5089 0.0038 C 0 0 0
- 0.6010 -2.2019 -0.0114 C 0 0 0
- -3.2712 1.6922 -0.0012 C 0 0 0
- -0.7913 -2.4231 -0.0070 C 0 0 0
- -3.0955 -1.6203 -0.0118 C 0 0 0
- -1.0215 3.7433 0.0053 C 0 0 0
- 2.8165 0.8707 0.0119 C 0 0 0
- 3.5027 -1.4642 0.0007 C 0 0 0
- -3.4151 3.1580 0.4210 C 0 0 0
- -1.2840 -3.7445 -0.0135 C 0 0 0
- -3.5309 -2.9108 -0.0188 C 0 0 0
- -2.4684 4.0235 -0.4151 C 0 0 0
- 4.1736 1.2415 0.0151 C 0 0 0
- 4.8206 -1.0643 0.0056 C 0 0 0
- -2.6244 -3.9697 -0.0189 C 0 0 0
- 5.1457 0.2868 0.0152 C 0 0 0
- 2.1120 2.8962 0.0000 H 0 0 0
- 1.2730 -3.0153 0.0000 H 0 0 0
- -4.3262 1.7087 0.0000 H 0 0 0
- -3.4071 0.6459 0.0000 H 0 0 0
- -3.7919 -0.8277 0.0000 H 0 0 0
- 0.0330 3.7801 0.0000 H 0 0 0
- -0.9391 4.7952 0.0000 H 0 0 0
- 3.2616 -2.4914 0.0000 H 0 0 0
- -3.9452 4.0703 0.0000 H 0 0 0
- -4.4193 2.8340 0.0000 H 0 0 0
- -0.6122 -4.5581 0.0000 H 0 0 0
- -4.5668 -3.1114 0.0000 H 0 0 0
- -2.0534 4.9936 0.0000 H 0 0 0
- -3.3289 4.6342 0.0000 H 0 0 0
- 4.4396 2.2626 0.0000 H 0 0 0
- 5.5882 -1.7883 0.0000 H 0 0 0
- -2.9844 -4.9615 0.0000 H 0 0 0
- 6.1600 0.5775 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 16 22 2 0
- 18 23 2 0
- 21 24 2 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 20 1 0
- 19 23 1 0
- 22 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
- 24 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-24-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 1.1651 0.1020 -0.0012 C 0 0 0
- 0.0000 0.7747 0.0002 O 0 0 0
- 2.4702 0.8555 -0.0007 C 0 0 0
- 1.1651 -1.1061 0.0022 O 0 0 0
- -1.1651 0.1020 -0.0002 C 0 0 0
- -2.4702 0.8555 0.0013 C 0 0 0
- -1.1651 -1.1061 -0.0018 O 0 0 0
- 2.9747 -0.0183 0.0000 H 0 0 0
- 3.3440 1.3600 0.0000 H 0 0 0
- 1.9657 1.7293 0.0000 H 0 0 0
- -1.9657 1.7293 0.0000 H 0 0 0
- -3.3440 1.3600 0.0000 H 0 0 0
- -2.9747 -0.0183 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 5 7 2 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-630-17-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 1.6360 0.0000 0.0000 C 0 0 0
- 0.4692 -0.8003 -0.5822 C 0 0 0
- 1.5584 -0.0234 1.5279 C 0 0 0
- 2.9580 -0.6228 -0.4531 C 0 0 0
- 1.5584 1.4465 -0.4925 C 0 0 0
- -1.2295 0.0000 0.0000 Br 0 0 0
- -0.1592 -1.6866 0.0000 H 0 0 0
- 1.2314 -1.5745 0.0000 H 0 0 0
- 1.2447 1.0168 0.0000 H 0 0 0
- 0.5182 -0.3371 0.0000 H 0 0 0
- 1.8721 -1.0636 0.0000 H 0 0 0
- 2.4950 -1.6056 0.0000 H 0 0 0
- 3.9408 -1.0858 0.0000 H 0 0 0
- 3.4210 0.3600 0.0000 H 0 0 0
- 2.6433 1.5047 0.0000 H 0 0 0
- 1.5002 2.5314 0.0000 H 0 0 0
- 0.4735 1.3883 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2702-72-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -1.3103 -0.2057 0.0507 C 0 0 0
- -2.2341 0.7714 -0.2937 C 0 0 0
- -0.0495 0.1612 0.4972 C 0 0 0
- -1.6429 -1.5205 -0.0442 O 0 0 0
- -1.8954 2.1079 -0.1909 C 0 0 0
- -3.8133 0.3158 -0.8524 Cl 0 0 0
- 0.2848 1.4978 0.5984 C 0 0 0
- -0.4987 -2.2672 0.3743 C 0 0 0
- -0.6370 2.4710 0.2548 C 0 0 0
- -0.8030 -3.7408 0.2922 C 0 0 0
- -0.2137 4.1497 0.3825 Cl 0 0 0
- -1.9020 -4.1181 -0.0906 O 0 0 0
- 0.0490 -4.5600 0.6085 O 0 0 0
- 12.3740 -0.2036 -0.4320 Na 0 3 0
- 0.6833 -0.5442 0.0000 H 0 0 0
- -2.6263 2.8153 0.0000 H 0 0 0
- 1.2687 1.7559 0.0000 H 0 0 0
- 0.4641 -2.5954 0.0000 H 0 0 0
- -0.0532 -1.3528 0.0000 H 0 0 0
- 0.7822 -5.2650 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 1 0
- 7 9 1 0
- 3 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1229-55-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- 2.4265 -0.4185 0.0091 C 0 0 0
- 1.2495 0.3474 -0.3992 C 0 0 0
- 3.6626 0.2552 0.1616 C 0 0 0
- 2.3530 -1.7942 0.2556 C 0 0 0
- 0.0443 -0.2617 -0.5564 N 0 0 0
- 1.3910 1.7191 -0.6236 C 0 0 0
- 3.7332 1.6387 -0.0805 C 0 0 0
- 4.7975 -0.4747 0.5537 C 0 0 0
- 3.4740 -2.4719 0.6344 C 0 0 0
- -1.0098 0.2436 -0.0110 N 0 0 0
- 2.6300 2.3364 -0.4599 C 0 0 0
- 0.3160 2.4547 -1.0036 O 0 0 0
- 4.6923 -1.8136 0.7802 C 0 0 0
- -2.2197 -0.3679 -0.1688 C 0 0 0
- -3.3688 0.1781 0.4224 C 0 0 0
- -2.3224 -1.5389 -0.9254 C 0 0 0
- -4.5918 -0.4509 0.2552 C 0 0 0
- -3.2826 1.3176 1.1557 O 0 0 0
- -3.5476 -2.1509 -1.0810 C 0 0 0
- -4.6784 -1.6109 -0.4909 C 0 0 0
- -4.6026 1.6131 1.6164 C 0 0 0
- 1.4579 -2.2680 0.0000 H 0 0 0
- 4.6325 2.1045 0.0000 H 0 0 0
- 5.7048 -0.0247 0.0000 H 0 0 0
- 3.4495 -3.4844 0.0000 H 0 0 0
- 2.6815 3.3479 0.0000 H 0 0 0
- -0.5198 3.0266 0.0000 H 0 0 0
- 5.5412 -2.3660 0.0000 H 0 0 0
- -1.4851 -2.1087 0.0000 H 0 0 0
- -5.4361 0.1085 0.0000 H 0 0 0
- -3.5386 -3.1636 0.0000 H 0 0 0
- -5.5546 -2.1189 0.0000 H 0 0 0
- -4.3814 2.6014 0.0000 H 0 0 0
- -5.5909 1.8343 0.0000 H 0 0 0
- -4.8238 0.6248 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 18 21 1 0
- 7 11 1 0
- 9 13 1 0
- 19 20 1 0
- 4 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60719-84-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.0425 -0.1668 -0.0436 C 0 0 0
- -1.4362 -0.0565 -0.0183 C 0 0 0
- 0.8425 0.9621 0.2427 C 0 0 0
- 0.6348 -1.3599 -0.3377 C 0 0 0
- -2.1999 -0.8373 0.8549 C 0 0 0
- -2.1043 0.8350 -0.8628 C 0 0 0
- 2.2018 0.8376 0.2142 C 0 0 0
- 1.9871 -1.4739 -0.3636 N 0 0 0
- -3.5724 -0.7032 0.8458 C 0 0 0
- -3.4808 0.9058 -0.8069 C 0 0 0
- 2.7755 -0.4151 -0.1004 C 0 0 0
- 3.0192 1.9401 0.4934 N 0 0 0
- -4.1646 0.1469 0.0283 N 0 0 0
- 3.9893 -0.5382 -0.1294 O 0 0 0
- 0.4168 1.8866 0.0000 H 0 0 0
- 0.0626 -2.2016 0.0000 H 0 0 0
- -1.8513 -1.7936 0.0000 H 0 0 0
- -1.6257 1.7333 0.0000 H 0 0 0
- 2.4052 -2.4019 0.0000 H 0 0 0
- -4.0868 -1.5815 0.0000 H 0 0 0
- -3.8706 1.8460 0.0000 H 0 0 0
- 4.0304 1.8239 0.0000 H 0 0 0
- 2.6142 2.8739 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 11 14 2 0
- 8 11 1 0
- 10 13 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.3022 0.0996 0.0076 C 0 0 0
- -0.0222 -1.2504 -0.0891 C 0 0 0
- 0.7303 1.0161 0.0821 C 0 0 0
- -1.7073 0.5646 0.0253 N 0 3 0
- 1.2903 -1.6843 -0.1114 C 0 0 0
- -1.1476 -2.2494 -0.1697 C 0 0 0
- 2.0424 0.5823 0.0599 C 0 0 0
- -2.1479 1.2074 -0.9108 O 0 0 0
- -2.4230 0.3045 0.9760 O 0 5 0
- 2.3224 -0.7681 -0.0374 C 0 0 0
- 3.1677 1.5813 0.1416 C 0 0 0
- 0.5212 2.0302 0.0000 H 0 0 0
- 1.4994 -2.6984 0.0000 H 0 0 0
- -1.8350 -1.4750 0.0000 H 0 0 0
- -1.9220 -2.9368 0.0000 H 0 0 0
- -0.4602 -3.0238 0.0000 H 0 0 0
- 3.3052 -1.0940 0.0000 H 0 0 0
- 3.8551 0.8070 0.0000 H 0 0 0
- 3.9420 2.2687 0.0000 H 0 0 0
- 2.4803 2.3556 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25637-99-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -2.2162 0.6753 0.3595 C 0 0 0
- -2.2162 -0.6752 -0.3595 C 0 0 0
- -1.5696 1.7314 -0.5391 C 0 0 0
- -4.0666 1.2027 0.7634 Br 0 0 0
- -1.5696 -1.7313 0.5391 C 0 0 0
- -4.0666 -1.2025 -0.7634 Br 0 0 0
- -0.4495 2.4371 0.2279 C 0 0 0
- -0.4496 -2.4371 -0.2279 C 0 0 0
- 0.8438 2.3762 -0.5873 C 0 0 0
- 0.8437 -2.3762 0.5873 C 0 0 0
- 1.9638 1.7921 0.2761 C 0 0 0
- 0.5706 1.2359 -2.1654 Br 0 0 0
- 1.9637 -1.7922 -0.2761 C 0 0 0
- 0.5705 -1.2359 2.1654 Br 0 0 0
- 2.6105 0.6144 -0.4557 C 0 0 0
- 3.3184 3.1759 0.6161 Br 0 0 0
- 2.6104 -0.6145 0.4557 C 0 0 0
- 3.3182 -3.1760 -0.6161 Br 0 0 0
- -1.2710 0.4089 0.0000 H 0 0 0
- -1.2710 -0.4088 0.0000 H 0 0 0
- -1.7567 2.6954 0.0000 H 0 0 0
- -2.5359 1.9061 0.0000 H 0 0 0
- -2.5359 -1.9060 0.0000 H 0 0 0
- -1.7567 -2.6953 0.0000 H 0 0 0
- -0.0966 3.3535 0.0000 H 0 0 0
- -1.2080 3.0607 0.0000 H 0 0 0
- -1.2082 -3.0606 0.0000 H 0 0 0
- -0.0968 -3.3535 0.0000 H 0 0 0
- 1.0999 3.3242 0.0000 H 0 0 0
- 1.0998 -3.3242 0.0000 H 0 0 0
- 1.2769 1.0903 0.0000 H 0 0 0
- 1.2769 -1.0904 0.0000 H 0 0 0
- 3.5308 0.2719 0.0000 H 0 0 0
- 3.2524 1.3575 0.0000 H 0 0 0
- 3.2523 -1.3577 0.0000 H 0 0 0
- 3.5307 -0.2721 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 15 17 1 0
- 1 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 5 23 1 0
- 5 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 13 32 1 0
- 15 33 1 0
- 15 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-128-37-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- 1.2007 -0.1566 -0.0028 C 0 0 0
- 0.0002 0.5383 -0.0007 C 0 0 0
- 2.5070 0.5949 -0.0006 C 0 0 0
- 1.1979 -1.5382 -0.0013 C 0 0 0
- -1.2008 -0.1565 -0.0028 C 0 0 0
- 0.0003 1.8973 0.0039 O 0 0 0
- 3.6684 -0.4011 -0.0061 C 0 0 0
- 2.5883 1.4801 -1.2459 C 0 0 0
- 2.5905 1.4687 1.2526 C 0 0 0
- -0.0001 -2.2281 0.0024 C 0 0 0
- -2.5070 0.5952 0.0000 C 0 0 0
- -1.1983 -1.5377 -0.0071 C 0 0 0
- -0.0002 -3.7351 0.0041 C 0 0 0
- -3.6685 -0.4006 -0.0033 C 0 0 0
- -2.5891 1.4703 1.2523 C 0 0 0
- -2.5894 1.4791 -1.2461 C 0 0 0
- 2.0952 -2.0581 0.0000 H 0 0 0
- 0.0004 2.9343 0.0000 H 0 0 0
- 2.9933 -1.1883 0.0000 H 0 0 0
- 4.4556 -1.0762 0.0000 H 0 0 0
- 4.3435 0.3861 0.0000 H 0 0 0
- 3.6209 1.3853 0.0000 H 0 0 0
- 2.6831 2.5127 0.0000 H 0 0 0
- 1.5557 1.5749 0.0000 H 0 0 0
- 3.6228 1.3701 0.0000 H 0 0 0
- 2.6891 2.5010 0.0000 H 0 0 0
- 1.5582 1.5673 0.0000 H 0 0 0
- -2.0957 -2.0574 0.0000 H 0 0 0
- -1.0372 -3.7350 0.0000 H 0 0 0
- -0.0003 -4.7721 0.0000 H 0 0 0
- 1.0368 -3.7352 0.0000 H 0 0 0
- -4.3435 0.3867 0.0000 H 0 0 0
- -4.4558 -1.0756 0.0000 H 0 0 0
- -2.9935 -1.1879 0.0000 H 0 0 0
- -1.5566 1.5672 0.0000 H 0 0 0
- -2.6860 2.5028 0.0000 H 0 0 0
- -3.6216 1.3734 0.0000 H 0 0 0
- -1.5569 1.5754 0.0000 H 0 0 0
- -2.6857 2.5116 0.0000 H 0 0 0
- -3.6219 1.3828 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 11 16 1 0
- 10 12 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 16 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-13-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.0563 -0.3492 -0.9858 C 0 0 0
- -2.5612 -0.9166 0.1449 Br 0 0 0
- -0.5050 0.9553 -0.4707 C 0 0 0
- 0.5051 0.9543 0.4727 C 0 0 0
- -1.0057 2.1532 -0.9460 C 0 0 0
- 1.0552 -0.3514 0.9862 C 0 0 0
- 1.0112 2.1511 0.9450 C 0 0 0
- -0.5001 3.3496 -0.4736 C 0 0 0
- 2.5595 -0.9189 -0.1452 Br 0 0 0
- 0.5067 3.3486 0.4740 C 0 0 0
- -0.9521 -1.3182 0.0000 H 0 0 0
- -0.0922 -0.4913 0.0000 H 0 0 0
- -1.9803 2.1551 0.0000 H 0 0 0
- 0.0909 -0.4928 0.0000 H 0 0 0
- 0.9506 -1.3203 0.0000 H 0 0 0
- 1.9858 2.1504 0.0000 H 0 0 0
- -1.0382 4.1621 0.0000 H 0 0 0
- 1.0461 4.1603 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 1 0
- 10 7 2 0
- 8 10 1 0
- 1 11 1 0
- 1 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.8534 -0.0887 0.0435 P 0 0 0
- -0.5475 -0.1960 0.8297 O 0 0 0
- 2.2273 -0.3638 1.2097 C 0 0 0
- 0.8998 -1.1129 -1.0239 O 0 0 0
- 0.9955 1.4302 -0.6359 F 0 0 0
- -1.5796 0.0276 -0.1331 C 0 0 0
- -2.4873 -1.2021 -0.2025 C 0 0 0
- -2.4051 1.2483 0.2785 C 0 0 0
- 2.0204 -1.3970 0.0000 H 0 0 0
- 3.2605 -0.5707 0.0000 H 0 0 0
- 2.4342 0.6694 0.0000 H 0 0 0
- -0.9892 0.9004 0.0000 H 0 0 0
- -3.3351 -0.5763 0.0000 H 0 0 0
- -3.1131 -2.0499 0.0000 H 0 0 0
- -1.6395 -1.8279 0.0000 H 0 0 0
- -1.5322 1.8386 0.0000 H 0 0 0
- -2.9954 2.1212 0.0000 H 0 0 0
- -3.2780 0.6580 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6217-22-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.6536 -0.5089 -0.0024 C 0 0 0
- -0.6536 -0.5089 -0.0017 C 0 0 0
- 1.4372 0.7393 -0.0015 C 0 0 0
- 1.3902 -1.7908 0.0021 C 0 0 0
- -1.4372 0.7394 0.0002 C 0 0 0
- -1.3904 -1.7907 -0.0021 C 0 0 0
- 0.7400 2.0396 -0.0003 C 0 0 0
- 2.7489 0.6867 -0.0013 C 0 0 0
- 0.7379 -2.9286 0.0066 C 0 0 0
- 2.8632 -1.7475 0.0018 C 0 0 0
- -0.7398 2.0396 0.0005 C 0 0 0
- -2.7488 0.6869 0.0010 C 0 0 0
- -0.7381 -2.9285 -0.0034 C 0 0 0
- -2.8633 -1.7472 -0.0006 C 0 0 0
- 1.3593 3.0744 0.0003 O 0 0 0
- 3.4793 -0.5862 -0.0020 C 0 0 0
- -1.3591 3.0745 0.0019 O 0 0 0
- -3.4794 -0.5859 0.0002 C 0 0 0
- 3.3195 1.6279 0.0000 H 0 0 0
- 1.2897 -3.8810 0.0000 H 0 0 0
- 3.4443 -2.6823 0.0000 H 0 0 0
- -3.3193 1.6282 0.0000 H 0 0 0
- -1.2899 -3.8809 0.0000 H 0 0 0
- -3.4445 -2.6819 0.0000 H 0 0 0
- 4.5798 -0.5679 0.0000 H 0 0 0
- -4.5799 -0.5676 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 8 16 1 0
- 11 17 2 0
- 12 18 1 0
- 7 11 1 0
- 9 13 1 0
- 10 16 2 0
- 14 18 2 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-159092-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4059 1.4070 -0.0118 C 0 0 0
- 0.0182 -0.0066 0.0021 C 0 0 0
- 1.7807 1.7336 -0.0248 C 0 0 0
- -0.5477 2.4267 -0.0181 C 0 0 0
- 1.0343 -0.9890 0.0019 C 0 0 0
- -1.3217 -0.3972 0.0158 C 0 0 0
- 2.7496 0.7032 -0.0247 C 0 0 0
- 2.1626 3.0826 -0.0381 C 0 0 0
- -0.1435 3.7313 -0.0315 C 0 0 0
- -1.9903 2.0955 -0.0109 N 0 3 0
- 2.3933 -0.5970 -0.0110 C 0 0 0
- 0.6749 -2.3438 0.0151 C 0 0 0
- -1.6395 -1.7257 0.0290 C 0 0 0
- 1.2078 4.0566 -0.0383 C 0 0 0
- -2.5862 1.9461 -1.0626 O 0 0 0
- -2.5816 1.9722 1.0469 O 0 5 0
- 3.4470 -1.6366 -0.0111 N 0 3 0
- -0.6435 -2.6946 0.0279 C 0 0 0
- -3.0611 -2.1379 0.0435 N 0 3 0
- 4.3810 -1.5571 0.7666 O 0 0 0
- 3.3799 -2.5716 -0.7888 O 0 5 0
- -3.3523 -3.3205 0.0553 O 0 0 0
- -3.9398 -1.2944 0.0437 O 0 5 0
- -2.0766 0.3217 0.0000 H 0 0 0
- 3.7613 0.9546 0.0000 H 0 0 0
- 3.1727 3.3403 0.0000 H 0 0 0
- -0.8566 4.4917 0.0000 H 0 0 0
- 1.4123 -3.0806 0.0000 H 0 0 0
- 1.4954 5.0586 0.0000 H 0 0 0
- -0.9072 -3.7031 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 8 14 2 0
- 10 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 17 20 2 0
- 17 21 1 0
- 19 22 2 0
- 19 23 1 0
- 7 11 2 0
- 9 14 1 0
- 13 18 2 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 12 28 1 0
- 14 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85431-61-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 1.0776 0.4773 0.7469 C 0 0 0
- 0.0612 -0.6778 0.6911 C 0 0 0
- 2.5674 0.1631 0.8976 C 0 0 0
- 0.1656 0.1998 1.8128 O 0 0 0
- 0.7146 1.7635 0.0418 C 0 0 0
- -1.2569 -0.4089 -0.0470 C 0 0 0
- 3.0714 -0.5363 -0.3664 C 0 0 0
- 3.3040 0.8511 -0.1154 O 0 0 0
- -0.5777 1.9089 -0.6134 C 0 0 0
- 1.5062 2.6828 0.0217 O 0 0 0
- -1.5049 0.9603 -0.6330 C 0 0 0
- -2.3985 -0.6863 0.9323 C 0 0 0
- -1.3609 -1.4233 -1.1876 C 0 0 0
- 4.3360 -1.3329 -0.0387 C 0 0 0
- -2.8450 1.2263 -1.2852 C 0 0 0
- -3.7371 -0.5755 0.2001 C 0 0 0
- -2.2464 -2.0963 1.5066 C 0 0 0
- 4.8067 -1.9862 -1.2192 O 0 0 0
- -3.9479 0.8593 -0.2859 C 0 0 0
- -3.7424 -1.4634 -0.9196 O 0 0 0
- 0.3779 -1.6209 0.0000 H 0 0 0
- 2.0246 -0.6706 0.0000 H 0 0 0
- 2.3902 -1.2613 0.0000 H 0 0 0
- -0.9117 2.8460 0.0000 H 0 0 0
- -2.4759 0.3055 0.0000 H 0 0 0
- -2.3506 -1.3218 0.0000 H 0 0 0
- -1.4624 -2.4130 0.0000 H 0 0 0
- -0.3712 -1.5248 0.0000 H 0 0 0
- 5.3049 -1.1072 0.0000 H 0 0 0
- 4.5010 -0.3518 0.0000 H 0 0 0
- -2.3274 2.0759 0.0000 H 0 0 0
- -3.4647 2.0046 0.0000 H 0 0 0
- -4.7295 -0.6450 0.0000 H 0 0 0
- -3.2355 -2.2030 0.0000 H 0 0 0
- -2.1397 -3.0854 0.0000 H 0 0 0
- -1.2573 -1.9896 0.0000 H 0 0 0
- 5.3883 -2.7934 0.0000 H 0 0 0
- -4.2063 1.8200 0.0000 H 0 0 0
- -4.9221 0.6574 0.0000 H 0 0 0
- -3.7483 -2.4582 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 2 4 1 0
- 7 8 1 0
- 9 11 2 0
- 16 19 1 0
- 2 21 1 0
- 3 22 1 0
- 7 23 1 0
- 9 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4164-28-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.7895 0.0000 -0.0016 N 0 0 0
- -0.6115 0.0000 -0.0003 N 0 3 0
- 1.5221 1.2687 -0.0007 C 0 0 0
- 1.5220 -1.2687 0.0022 C 0 0 0
- -1.2204 1.0548 0.0016 O 0 0 0
- -1.2205 -1.0548 -0.0010 O 0 5 0
- 2.4320 0.7433 0.0000 H 0 0 0
- 2.0475 2.1786 0.0000 H 0 0 0
- 0.6122 1.7941 0.0000 H 0 0 0
- 0.6120 -1.7941 0.0000 H 0 0 0
- 2.0474 -2.1787 0.0000 H 0 0 0
- 2.4320 -0.7433 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25103-58-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- 1.5570 0.5546 0.9355 C 0 0 0
- 0.0438 0.6112 0.7165 C 0 0 0
- 2.1738 -0.4628 -0.0264 C 0 0 0
- -0.5019 -0.8092 0.5568 C 0 0 0
- -0.6211 1.2806 1.9209 C 0 0 0
- -0.3149 1.5688 -0.7818 S 0 0 0
- 1.4826 -0.3619 -1.3876 C 0 0 0
- 3.6667 -0.1705 -0.1895 C 0 0 0
- 1.9889 -1.8736 0.5361 C 0 0 0
- -1.8902 -0.7531 -0.0837 C 0 0 0
- -2.6557 0.4536 0.4629 C 0 0 0
- -1.7468 -0.6213 -1.6013 C 0 0 0
- -2.6565 -2.0355 0.2467 C 0 0 0
- 2.5474 0.9171 0.0000 H 0 0 0
- 1.3924 1.5963 0.0000 H 0 0 0
- -0.6587 -1.8521 0.0000 H 0 0 0
- 0.5178 -1.0783 0.0000 H 0 0 0
- 0.1271 2.0238 0.0000 H 0 0 0
- -1.3643 2.0288 0.0000 H 0 0 0
- -1.3693 0.5374 0.0000 H 0 0 0
- -0.6848 2.5564 0.0000 H 0 0 0
- 1.6349 0.6817 0.0000 H 0 0 0
- 0.4390 -0.2096 0.0000 H 0 0 0
- 1.3303 -1.4055 0.0000 H 0 0 0
- 3.8693 -1.2055 0.0000 H 0 0 0
- 4.7017 0.0321 0.0000 H 0 0 0
- 3.4641 0.8645 0.0000 H 0 0 0
- 0.9432 -1.7366 0.0000 H 0 0 0
- 1.8519 -2.9193 0.0000 H 0 0 0
- 3.0346 -2.0106 0.0000 H 0 0 0
- -1.7652 1.0185 0.0000 H 0 0 0
- -3.2206 1.3441 0.0000 H 0 0 0
- -3.5462 -0.1113 0.0000 H 0 0 0
- -1.0331 -1.3978 0.0000 H 0 0 0
- -0.9703 0.0924 0.0000 H 0 0 0
- -2.4605 0.1552 0.0000 H 0 0 0
- -3.5618 -1.4945 0.0000 H 0 0 0
- -3.1975 -2.9408 0.0000 H 0 0 0
- -1.7512 -2.5765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 10 11 1 0
- 10 12 1 0
- 10 13 1 0
- 1 14 1 0
- 1 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 13 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-27-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.4150 0.0001 0.0546 C 0 0 0
- -0.7309 -1.1972 0.1554 C 0 0 0
- -0.7311 1.1971 0.1531 C 0 0 0
- -2.8788 -0.0001 -0.1651 N 0 3 0
- 0.6367 -1.1970 0.3548 C 0 0 0
- 0.6370 1.1973 0.3526 C 0 0 0
- -3.4814 1.0546 -0.2540 O 0 0 0
- -3.4807 -1.0550 -0.2570 O 0 5 0
- 1.3208 0.0004 0.4534 C 0 0 0
- 2.8121 0.0006 0.6703 C 0 0 0
- 3.5244 -0.0005 -0.6838 C 0 0 0
- 4.9385 -0.0003 -0.4781 O 0 0 0
- -1.2498 -2.0915 0.0000 H 0 0 0
- -1.2501 2.0913 0.0000 H 0 0 0
- 1.1557 -2.0912 0.0000 H 0 0 0
- 1.1559 2.0915 0.0000 H 0 0 0
- 3.3299 0.8955 0.0000 H 0 0 0
- 2.2955 0.8962 0.0000 H 0 0 0
- 3.0066 -0.8954 0.0000 H 0 0 0
- 4.0410 -0.8961 0.0000 H 0 0 0
- 5.9724 -0.0002 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24085-06-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -0.0656 -0.0971 -0.2922 C 0 0 0
- 0.0043 -1.4673 -0.5170 C 0 0 0
- 1.0844 0.6257 -0.0691 C 0 0 0
- -1.4021 0.5990 -0.2989 C 0 0 0
- 1.2350 -2.1148 -0.5173 C 0 0 0
- -1.1326 -2.1754 -0.7364 O 0 0 0
- 2.3258 -0.0212 -0.0689 C 0 0 0
- -1.2115 2.0154 -0.0422 O 0 0 0
- 2.3906 -1.4015 -0.2953 C 0 0 0
- -1.7980 -2.7149 0.2981 C 0 0 0
- 3.5565 0.7454 0.1681 C 0 0 0
- -2.2708 2.8387 -0.0017 C 0 0 0
- -2.9966 -3.5933 0.0474 C 0 0 0
- -1.4355 -2.4960 1.4297 O 0 0 0
- 4.8915 0.0464 0.1679 C 0 0 0
- 3.4980 1.9409 0.3641 O 0 0 0
- -2.0729 4.3087 0.2648 C 0 0 0
- -3.3831 2.4012 -0.1789 O 0 0 0
- 1.0427 1.6575 0.0000 H 0 0 0
- -2.4029 0.8537 0.0000 H 0 0 0
- -1.7704 -0.3658 0.0000 H 0 0 0
- 1.2705 -3.1469 0.0000 H 0 0 0
- 3.3040 -1.8833 0.0000 H 0 0 0
- -3.6070 -2.7604 0.0000 H 0 0 0
- -3.8295 -4.2037 0.0000 H 0 0 0
- -2.3862 -4.4262 0.0000 H 0 0 0
- 4.4125 -0.8685 0.0000 H 0 0 0
- 5.8064 -0.4326 0.0000 H 0 0 0
- 5.3705 0.9613 0.0000 H 0 0 0
- -1.0495 4.1709 0.0000 H 0 0 0
- -1.9351 5.3321 0.0000 H 0 0 0
- -3.0963 4.4465 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 11 16 2 0
- 12 17 1 0
- 12 18 2 0
- 7 9 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 9 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96918-24-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.1257 -0.1976 -0.0016 C 0 0 0
- -1.5105 0.0482 -0.0010 C 0 0 0
- 0.7706 0.8927 -0.0004 C 0 0 0
- 0.3584 -1.5285 0.0026 C 0 0 0
- -1.9903 1.3772 0.0002 C 0 0 0
- -2.4165 -1.0368 -0.0022 C 0 0 0
- 2.1552 0.6304 -0.0009 C 0 0 0
- 0.2666 2.2101 0.0017 C 0 0 0
- 1.7354 -1.7577 0.0021 C 0 0 0
- -0.5555 -2.6119 0.0068 C 0 0 0
- -1.0669 2.4482 0.0013 C 0 0 0
- -3.3717 1.5982 0.0007 C 0 0 0
- -1.8908 -2.3991 -0.0040 C 0 0 0
- -3.7872 -0.7762 -0.0012 C 0 0 0
- 2.6261 -0.6937 -0.0025 C 0 0 0
- 3.3503 1.4752 0.0008 C 0 0 0
- -4.2448 0.5290 0.0000 C 0 0 0
- 3.9759 -0.6356 -0.0019 O 0 0 0
- 4.4007 0.6389 0.0000 C 0 0 0
- 0.9384 3.0223 0.0000 H 0 0 0
- 2.1012 -2.7462 0.0000 H 0 0 0
- -0.1881 -3.5998 0.0000 H 0 0 0
- -1.4197 3.4414 0.0000 H 0 0 0
- -3.7466 2.5833 0.0000 H 0 0 0
- -2.5538 -3.2185 0.0000 H 0 0 0
- -4.4748 -1.5750 0.0000 H 0 0 0
- 3.3804 2.5288 0.0000 H 0 0 0
- -5.2829 0.7112 0.0000 H 0 0 0
- 5.4112 0.9386 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 15 18 1 0
- 16 19 2 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 18 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-131-17-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 0.6964 -1.0552 -0.3272 C 0 0 0
- -0.6696 -0.9107 -0.0192 C 0 0 0
- 1.5101 0.1297 -0.6733 C 0 0 0
- 1.2778 -2.3200 -0.2981 C 0 0 0
- -1.2995 0.4267 -0.0409 C 0 0 0
- -1.4240 -2.0351 0.3056 C 0 0 0
- 2.6138 0.4210 0.0418 O 0 0 0
- 1.1834 0.8403 -1.6025 O 0 0 0
- 0.5143 -3.4241 0.0316 C 0 0 0
- -2.6297 0.5476 0.1343 O 0 0 0
- -0.6177 1.4163 -0.2166 O 0 0 0
- -0.8308 -3.2834 0.3241 C 0 0 0
- 3.4130 1.5847 -0.2982 C 0 0 0
- -3.2483 1.8611 0.1130 C 0 0 0
- 4.5822 1.6846 0.6473 C 0 0 0
- -4.7328 1.7207 0.3310 C 0 0 0
- 4.7393 0.7904 1.5916 C 0 0 0
- -5.2605 0.5338 0.5014 C 0 0 0
- 2.2889 -2.4083 0.0000 H 0 0 0
- -2.4362 -1.9604 0.0000 H 0 0 0
- 0.9381 -4.3463 0.0000 H 0 0 0
- -1.4170 -4.1120 0.0000 H 0 0 0
- 3.5584 2.5892 0.0000 H 0 0 0
- 2.4678 1.9543 0.0000 H 0 0 0
- -2.2865 2.1850 0.0000 H 0 0 0
- -3.4595 2.8538 0.0000 H 0 0 0
- 5.2011 2.4890 0.0000 H 0 0 0
- -5.3253 2.5447 0.0000 H 0 0 0
- 3.9614 0.1385 0.0000 H 0 0 0
- 5.6928 0.4427 0.0000 H 0 0 0
- -6.2698 0.4272 0.0000 H 0 0 0
- -4.6635 -0.2870 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 9 12 1 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1116-54-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.1124 -0.1324 0.0628 N 0 0 0
- 1.1189 -0.9482 0.7467 C 0 0 0
- -0.7793 -0.7452 -0.9249 C 0 0 0
- 0.0078 1.1243 0.3341 N 0 0 0
- 2.4198 -0.9340 -0.0585 C 0 0 0
- -2.0403 -1.2567 -0.2254 C 0 0 0
- -0.8290 1.8026 -0.2345 O 0 0 0
- 2.8937 0.4092 -0.1742 O 0 0 0
- -2.7098 -0.1647 0.4081 O 0 0 0
- 0.3197 -1.4912 0.0000 H 0 0 0
- 1.4080 -1.8701 0.0000 H 0 0 0
- -0.8430 -1.7093 0.0000 H 0 0 0
- 0.0604 -1.2231 0.0000 H 0 0 0
- 2.3178 -1.8948 0.0000 H 0 0 0
- 3.3622 -1.1472 0.0000 H 0 0 0
- -2.8905 -1.7158 0.0000 H 0 0 0
- -1.6286 -2.1308 0.0000 H 0 0 0
- 3.2152 1.3203 0.0000 H 0 0 0
- -3.2148 0.6590 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20846-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.8852 0.0000 -0.0017 C 0 0 0
- -0.5941 0.0000 -0.0004 N 0 3 0
- 1.6387 1.3051 -0.0010 C 0 0 0
- 1.6387 -1.3051 0.0024 C 0 0 0
- -1.3021 1.2263 0.0016 O 0 5 0
- -1.3021 -1.2263 -0.0011 O 0 5 0
- 2.5995 0.7504 0.0000 H 0 0 0
- 2.1934 2.2659 0.0000 H 0 0 0
- 0.6779 1.8598 0.0000 H 0 0 0
- 0.6779 -1.8598 0.0000 H 0 0 0
- 2.1934 -2.2659 0.0000 H 0 0 0
- 2.5995 -0.7504 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24225-71-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 58 1 V2000
- -3.8504 -0.6462 0.2998 C 0 0 0
- -5.1651 -1.3187 0.1565 C 0 0 0
- -3.9295 0.6424 -0.2225 C 0 0 0
- -2.6428 -1.0970 0.8386 C 0 0 0
- -6.0658 -0.4511 -0.4551 C 0 0 0
- -5.5869 -2.5989 0.5211 C 0 0 0
- -2.8280 1.4693 -0.2047 C 0 0 0
- -5.3366 0.8410 -0.7308 C 0 0 0
- -1.5430 -0.2676 0.8562 C 0 0 0
- -7.3623 -0.8530 -0.6979 C 0 0 0
- -6.8855 -2.9924 0.2741 C 0 0 0
- -1.6296 1.0187 0.3366 C 0 0 0
- -7.7735 -2.1229 -0.3337 C 0 0 0
- -0.5110 1.8575 0.3550 N 0 0 0
- 0.5586 1.5799 1.2163 N 0 0 0
- -0.4618 2.9330 -0.4557 C 0 0 0
- 1.7107 0.9661 0.7227 C 0 0 0
- -0.7298 4.3081 0.0996 C 0 0 0
- -0.2018 2.7942 -1.6322 O 0 0 0
- 2.7933 0.7385 1.5650 C 0 0 0
- 1.7749 0.5763 -0.6104 C 0 0 0
- 3.9297 0.1322 1.0769 C 0 0 0
- 2.9104 -0.0302 -1.1006 C 0 0 0
- 4.0024 -0.2559 -0.2588 C 0 0 0
- 5.2381 -0.2404 1.7304 C 0 0 0
- 5.3233 -0.8788 -0.5206 C 0 0 0
- 6.0759 -0.8802 0.6506 C 0 0 0
- 5.8696 -1.4201 -1.6861 C 0 0 0
- 7.3487 -1.4108 0.6587 C 0 0 0
- 7.1433 -1.9489 -1.6686 C 0 0 0
- 7.8837 -1.9450 -0.5000 C 0 0 0
- -2.5036 -2.0538 0.0000 H 0 0 0
- -4.9115 -3.2907 0.0000 H 0 0 0
- -2.9650 2.4264 0.0000 H 0 0 0
- -5.0836 1.7741 0.0000 H 0 0 0
- -6.2311 1.2079 0.0000 H 0 0 0
- -0.6637 -0.6695 0.0000 H 0 0 0
- -8.0416 -0.1651 0.0000 H 0 0 0
- -7.1156 -3.9314 0.0000 H 0 0 0
- -8.7123 -2.3540 0.0000 H 0 0 0
- 0.9098 2.4807 0.0000 H 0 0 0
- 0.2192 4.4931 0.0000 H 0 0 0
- -0.9148 5.2571 0.0000 H 0 0 0
- -1.6788 4.1231 0.0000 H 0 0 0
- 3.1236 1.6472 0.0000 H 0 0 0
- 0.9890 0.0132 0.0000 H 0 0 0
- 2.5814 -0.9393 0.0000 H 0 0 0
- 6.0772 0.2399 0.0000 H 0 0 0
- 5.1212 0.7193 0.0000 H 0 0 0
- 5.3340 -2.2250 0.0000 H 0 0 0
- 7.8865 -0.6073 0.0000 H 0 0 0
- 6.9568 -2.8976 0.0000 H 0 0 0
- 8.7780 -2.3123 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 2 0
- 17 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 2 0
- 29 31 2 0
- 5 8 1 0
- 9 12 1 0
- 11 13 1 0
- 23 24 1 0
- 26 27 2 0
- 30 31 1 0
- 4 32 1 0
- 6 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 10 38 1 0
- 11 39 1 0
- 13 40 1 0
- 15 41 1 0
- 18 42 1 0
- 18 43 1 0
- 18 44 1 0
- 20 45 1 0
- 21 46 1 0
- 23 47 1 0
- 25 48 1 0
- 25 49 1 0
- 28 50 1 0
- 29 51 1 0
- 30 52 1 0
- 31 53 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20589-85-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.3374 0.6847 0.0695 C 0 0 0
- -0.2637 -0.6910 -0.0609 C 0 0 0
- 1.6412 0.8289 0.1244 C 0 0 0
- -0.6938 2.0795 0.1400 Cl 0 0 0
- -1.2179 -1.0728 1.4205 Cl 0 0 0
- -1.3462 -0.7397 -1.5020 Cl 0 0 0
- 2.6769 -0.5456 -0.1036 Cl 0 0 0
- 0.4704 -1.4485 0.0000 H 0 0 0
- 2.0592 1.7974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-70-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -1.7445 0.7169 -0.0036 C 0 0 0
- -2.2616 -0.5899 -0.0023 C 0 0 0
- -0.4083 0.9092 -0.0027 O 0 0 0
- -2.6163 1.7947 0.0001 C 0 0 0
- -1.3166 -1.7195 -0.0005 C 0 0 0
- -3.6463 -0.8002 -0.0024 C 0 0 0
- 0.4630 -0.1122 -0.0005 C 0 0 0
- -3.9857 1.5794 0.0049 C 0 0 0
- 0.0648 -1.4128 -0.0001 C 0 0 0
- -1.7096 -2.8749 0.0010 O 0 0 0
- -4.5001 0.2873 -0.0036 C 0 0 0
- -4.1462 -2.0619 -0.0017 O 0 0 0
- 1.9073 0.1875 0.0000 C 0 0 0
- -4.8329 2.6401 0.0085 O 0 0 0
- 2.8389 -0.8544 0.0023 C 0 0 0
- 2.3474 1.5139 -0.0076 C 0 0 0
- 4.1905 -0.5682 0.0028 C 0 0 0
- 3.6972 1.7920 -0.0071 C 0 0 0
- 4.6224 0.7571 0.0010 C 0 0 0
- 5.0997 -1.5796 0.0054 O 0 0 0
- 5.9518 1.0366 0.0019 O 0 0 0
- -2.2429 2.7650 0.0000 H 0 0 0
- 0.7705 -2.1763 0.0000 H 0 0 0
- -5.5291 0.1388 0.0000 H 0 0 0
- -4.5292 -3.0285 0.0000 H 0 0 0
- -5.4817 3.4525 0.0000 H 0 0 0
- 2.5155 -1.8425 0.0000 H 0 0 0
- 1.6566 2.2908 0.0000 H 0 0 0
- 4.0233 2.7792 0.0000 H 0 0 0
- 5.7948 -2.3528 0.0000 H 0 0 0
- 6.9692 1.2505 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 19 21 1 0
- 7 9 2 0
- 8 11 1 0
- 18 19 1 0
- 4 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 20 30 1 0
- 21 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-30461-65-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -0.2165 -0.1256 -0.1014 C 0 0 0
- -1.5868 -0.0967 0.1384 C 0 0 0
- 0.4737 1.0973 -0.1260 C 0 0 0
- 0.3703 -1.3070 -0.3239 O 0 0 0
- -2.5985 -1.2172 0.2647 C 0 0 1
- -2.2678 1.0984 0.3060 C 0 0 0
- 1.9392 1.0642 -0.3007 C 0 0 0
- -0.2069 2.3100 0.0265 C 0 0 0
- 1.6849 -1.3842 -0.0917 C 0 0 0
- -3.8134 -0.4773 0.9082 C 0 0 1
- -3.1415 -1.5460 -1.1133 C 0 0 0
- -3.5961 0.8847 0.5090 O 0 0 0
- -1.5699 2.3081 0.2458 C 0 0 0
- 2.5374 -0.2711 -0.0819 C 0 0 0
- 2.5957 2.0462 -0.5978 O 0 0 0
- 0.4703 3.4838 -0.0404 O 0 0 0
- 2.2454 -2.6405 0.1531 C 0 0 0
- -4.9094 -1.0065 0.1375 O 0 0 0
- -4.4465 -1.3895 -1.0733 C 0 0 0
- 3.9110 -0.4138 0.1333 C 0 0 0
- 3.5974 -2.7750 0.3790 C 0 0 0
- 4.4367 -1.6744 0.3670 C 0 0 0
- 4.7231 0.6730 0.1130 O 0 0 0
- -1.9438 -2.0097 0.0000 H 0 0 0
- -4.6382 0.1362 0.0000 H 0 0 0
- -2.9246 -2.5508 0.0000 H 0 0 0
- -2.0846 3.1979 0.0000 H 0 0 0
- 0.9840 4.3742 0.0000 H 0 0 0
- 1.6438 -3.4740 0.0000 H 0 0 0
- -4.8518 -2.3342 0.0000 H 0 0 0
- 4.0072 -3.7177 0.0000 H 0 0 0
- 5.4562 -1.8058 0.0000 H 0 0 0
- 5.3384 1.4965 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 14 20 1 0
- 17 21 2 0
- 20 22 2 0
- 20 23 1 0
- 8 13 2 0
- 9 14 2 0
- 10 12 1 0
- 18 19 1 0
- 21 22 1 0
- 5 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 16 28 1 0
- 17 29 1 0
- 19 30 1 0
- 21 31 1 0
- 22 32 1 0
- 23 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-892-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.1343 0.2996 0.0165 C 0 0 0
- 0.6636 -1.0637 -0.0381 C 0 0 0
- 1.0499 1.2149 0.0524 C 0 0 0
- -1.3057 0.5599 0.0221 C 0 0 0
- 2.1259 -0.9053 -0.0341 C 0 0 0
- -0.1956 -2.0538 -0.0763 C 0 0 0
- 2.3663 0.5579 0.0255 C 0 0 0
- 0.5946 2.6190 0.1077 C 0 0 0
- -2.1919 -0.6156 -0.0285 C 0 0 0
- -1.7115 1.8060 0.0708 C 0 0 0
- 3.1362 -1.7373 -0.0700 C 0 0 0
- -1.6471 -1.8167 -0.0654 C 0 0 0
- 3.5978 1.0123 0.0439 C 0 0 0
- -0.6983 2.8814 0.1184 C 0 0 0
- -3.5387 -0.4670 -0.0265 N 0 3 0
- 4.5173 -1.2224 -0.0493 C 0 0 0
- 4.7334 0.0748 0.0036 C 0 0 0
- -4.2240 -1.1349 0.7270 O 0 0 0
- -4.0640 0.3346 -0.7782 O 0 5 0
- 0.1638 -3.0473 0.0000 H 0 0 0
- 1.2982 3.4072 0.0000 H 0 0 0
- -2.7425 2.0370 0.0000 H 0 0 0
- 2.9616 -2.7793 0.0000 H 0 0 0
- -2.2894 -2.6556 0.0000 H 0 0 0
- 3.7748 2.0539 0.0000 H 0 0 0
- -1.0181 3.8884 0.0000 H 0 0 0
- 5.3325 -1.8945 0.0000 H 0 0 0
- 5.7230 0.4448 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 5 7 1 0
- 9 12 2 0
- 10 14 1 0
- 16 17 2 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68498-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.9969 0.2468 -0.1897 C 0 0 0
- -1.8812 -0.7087 0.3181 C 0 0 0
- 0.2637 -0.2345 0.0615 N 0 0 0
- -1.4766 1.3508 -0.7778 N 0 0 0
- -3.3147 -0.4505 0.1850 C 0 0 0
- -1.1400 -1.7069 0.8440 N 0 0 0
- 1.5269 0.4201 -0.2877 C 0 0 2
- 0.1252 -1.4312 0.6948 C 0 0 0
- -2.7512 1.5782 -0.9000 C 0 0 0
- -3.6976 0.7173 -0.4321 N 0 0 0
- -4.4006 -1.1071 0.5359 N 0 0 0
- 2.5377 -0.5825 -0.5305 O 0 0 0
- 2.0467 1.2182 0.9285 C 0 0 0
- -5.0674 0.7309 -0.4351 C 0 0 0
- -5.4785 -0.4044 0.1671 C 0 0 0
- 3.7989 0.0939 -0.3361 C 0 0 1
- 3.5758 0.9986 0.8960 C 0 0 1
- 4.8866 -0.9355 -0.0226 C 0 0 0
- 4.2326 2.2512 0.6923 O 0 0 0
- 5.0303 -1.8285 -1.1289 O 0 0 0
- 0.8751 1.1399 0.0000 H 0 0 0
- 0.8451 -2.0829 0.0000 H 0 0 0
- -3.0203 2.5112 0.0000 H 0 0 0
- 2.3221 2.1494 0.0000 H 0 0 0
- 1.1650 1.6251 0.0000 H 0 0 0
- -5.6211 1.5286 0.0000 H 0 0 0
- -6.3994 -0.7125 0.0000 H 0 0 0
- 4.6380 0.5826 0.0000 H 0 0 0
- 4.5398 0.8818 0.0000 H 0 0 0
- 5.8473 -1.0770 0.0000 H 0 0 0
- 5.3108 -0.0620 0.0000 H 0 0 0
- 4.6835 3.1112 0.0000 H 0 0 0
- 5.1846 -2.7872 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 7 12 1 0
- 7 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 6 8 2 0
- 9 10 1 0
- 14 15 2 0
- 16 17 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 1.1972 0.2303 -0.0034 C 0 0 0
- -0.0002 -0.4609 -0.0032 C 0 0 0
- 1.1972 1.6125 -0.0012 C 0 0 0
- 2.4790 -0.5098 0.0002 N 0 3 0
- -1.1971 0.2302 -0.0007 C 0 0 0
- -0.0001 2.3038 0.0013 C 0 0 0
- 3.5339 0.0992 0.0000 O 0 0 0
- 2.4790 -1.7278 0.0033 O 0 5 0
- -1.1971 1.6128 0.0015 C 0 0 0
- -2.4790 -0.5098 0.0001 N 0 3 0
- -3.5338 0.0992 0.0022 O 0 0 0
- -2.4791 -1.7278 -0.0015 O 0 5 0
- -0.0003 -1.4975 0.0000 H 0 0 0
- 2.0949 2.1308 0.0000 H 0 0 0
- -0.0001 3.3404 0.0000 H 0 0 0
- -2.0948 2.1311 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136112-71-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 1.4689 -0.0122 -0.0016 N 0 0 0
- 0.9795 -1.2951 0.0311 C 0 0 0
- 2.8405 -0.0987 -0.0059 C 0 0 0
- 0.7107 1.1655 -0.0312 C 0 0 0
- -0.4533 -1.6603 0.0460 C 0 0 0
- 1.9761 -2.1465 0.0467 N 0 0 0
- 3.1468 -1.4709 0.0252 C 0 0 0
- 3.8332 0.7842 -0.0319 N 0 0 0
- 0.6512 1.9830 1.0899 C 0 0 0
- 0.0221 1.5207 -1.1831 C 0 0 0
- -0.9487 -2.5914 -0.8676 C 0 0 0
- -1.3150 -1.0794 0.9778 C 0 0 0
- 4.5025 -1.8476 0.0282 C 0 0 0
- 5.0876 0.3846 -0.0287 C 0 0 0
- -0.0966 3.1435 1.0575 C 0 0 0
- -0.7242 2.6828 -1.2093 C 0 0 0
- -2.2867 -2.9281 -0.8481 C 0 0 0
- -2.6505 -1.4247 0.9868 C 0 0 0
- 5.4252 -0.8919 0.0016 N 0 0 0
- 4.8664 -3.1823 0.0586 N 0 0 0
- -0.7858 3.4920 -0.0899 C 0 0 0
- -3.1364 -2.3448 0.0746 C 0 0 0
- -1.5868 4.7363 -0.1211 N 0 3 0
- -4.5707 -2.7104 0.0895 N 0 3 0
- -2.1942 5.0444 -1.1309 O 0 0 0
- -1.6384 5.4522 0.8629 O 0 5 0
- -5.3212 -2.1984 0.9008 O 0 0 0
- -5.0004 -3.5231 -0.7094 O 0 5 0
- 1.5962 2.2988 0.0000 H 0 0 0
- -0.6483 0.7837 0.0000 H 0 0 0
- -0.3346 -3.3759 0.0000 H 0 0 0
- -1.1464 -0.0974 0.0000 H 0 0 0
- 5.8094 1.0713 0.0000 H 0 0 0
- 0.5702 3.8838 0.0000 H 0 0 0
- -1.6689 2.3662 0.0000 H 0 0 0
- -2.4627 -3.9088 0.0000 H 0 0 0
- -3.2684 -0.6431 0.0000 H 0 0 0
- 4.1650 -3.8899 0.0000 H 0 0 0
- 5.8299 -3.4360 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 2 0
- 13 19 2 0
- 13 20 1 0
- 15 21 1 0
- 17 22 2 0
- 21 23 1 0
- 22 24 1 0
- 23 25 2 0
- 23 26 1 0
- 24 27 2 0
- 24 28 1 0
- 6 7 1 0
- 14 19 1 0
- 16 21 2 0
- 18 22 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 20 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64810-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- 1.3349 -0.7084 0.1005 C 0 0 0
- -0.0177 -1.0612 0.2545 C 0 0 0
- 1.7276 0.6345 0.2420 C 0 0 0
- 2.3255 -1.7429 -0.2003 C 0 0 0
- -0.9675 -0.0571 0.5502 C 0 0 0
- -0.4196 -2.4086 0.1147 C 0 0 0
- 3.1413 0.9671 0.0756 C 0 0 0
- 0.7633 1.6158 0.5374 C 0 0 0
- 3.6576 -1.3952 -0.3524 C 0 0 0
- 1.8777 -3.1295 -0.3338 C 0 0 0
- -2.3161 -0.4212 0.7019 C 0 0 0
- -0.5440 1.2824 0.6855 C 0 0 0
- 0.5703 -3.4381 -0.1900 C 0 0 0
- -1.7699 -2.7316 0.2728 C 0 0 0
- 4.0724 -0.0598 -0.2211 C 0 0 0
- 3.5873 2.2880 0.2052 C 0 0 0
- -2.6940 -1.7466 0.5612 C 0 0 0
- -3.2475 0.5245 0.9865 O 0 0 0
- 5.4316 0.2770 -0.3790 C 0 0 0
- 4.9100 2.5764 0.0456 C 0 0 0
- -3.7856 1.0268 -0.3456 S 0 0 0
- 5.8289 1.5713 -0.2459 C 0 0 0
- -4.9237 0.1026 -0.7542 O 0 0 0
- -4.3889 2.2834 -0.0692 O 0 0 0
- -2.7481 0.8027 -1.2904 O 0 0 0
- 1.0433 2.6188 0.0000 H 0 0 0
- 4.3768 -2.1482 0.0000 H 0 0 0
- 2.5838 -3.8949 0.0000 H 0 0 0
- -1.2592 2.0392 0.0000 H 0 0 0
- 0.2759 -4.4369 0.0000 H 0 0 0
- -2.0689 -3.7290 0.0000 H 0 0 0
- 2.8930 3.0640 0.0000 H 0 0 0
- -3.7060 -1.9920 0.0000 H 0 0 0
- 6.1474 -0.4792 0.0000 H 0 0 0
- 5.2254 3.5688 0.0000 H 0 0 0
- 6.8448 1.8000 0.0000 H 0 0 0
- -5.7320 -0.5538 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 1 0
- 21 24 2 0
- 21 25 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 20 22 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 22 36 1 0
- 23 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23256-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -4.2986 0.5717 0.2670 S 0 0 0
- -3.5755 -1.0417 0.6789 C 0 0 0
- -2.7822 1.5593 0.1225 C 0 0 0
- -4.9178 0.4876 -1.0092 O 0 0 0
- -5.0489 1.0386 1.3799 O 0 0 0
- -2.5968 -1.4512 -0.4248 C 0 0 0
- -1.8705 0.9300 -0.9342 C 0 0 0
- -1.5425 -0.4423 -0.5434 N 0 0 0
- -1.9717 -2.8034 -0.0762 C 0 0 0
- -0.3170 -0.7643 -0.3016 N 0 0 0
- 0.6536 0.1581 -0.4091 C 0 0 0
- 1.9621 -0.1858 -0.1509 C 0 0 0
- 3.0398 0.6306 -0.2176 O 0 0 0
- 2.4590 -1.5137 0.2579 C 0 0 0
- 4.1393 -0.0576 0.1007 C 0 0 0
- 3.8093 -1.3801 0.3975 C 0 0 0
- 5.5088 0.5027 0.1372 N 0 3 0
- 6.4499 -0.2085 0.4407 O 0 0 0
- 5.7249 1.8656 -0.1806 O 0 5 0
- -4.5805 -1.1924 0.0000 H 0 0 0
- -3.7009 -2.0501 0.0000 H 0 0 0
- -2.1016 2.3139 0.0000 H 0 0 0
- -3.4423 2.3319 0.0000 H 0 0 0
- -3.3020 -2.1828 0.0000 H 0 0 0
- -0.8553 0.8843 0.0000 H 0 0 0
- -1.5464 1.8931 0.0000 H 0 0 0
- -2.8941 -3.2298 0.0000 H 0 0 0
- -1.5453 -3.7258 0.0000 H 0 0 0
- -1.0493 -2.3770 0.0000 H 0 0 0
- 0.4007 1.1423 0.0000 H 0 0 0
- 1.9218 -2.3763 0.0000 H 0 0 0
- 4.4736 -2.1491 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 6 9 1 0
- 8 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 7 8 1 0
- 15 16 2 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 3 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 11 30 1 0
- 14 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-476-57-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -1.4139 0.7596 -0.0023 C 0 0 0
- -1.4720 -0.6485 -0.0014 C 0 0 0
- -0.1090 1.4451 -0.0021 C 0 0 0
- -2.5982 1.4992 0.0023 C 0 0 0
- -0.2283 -1.4378 -0.0002 C 0 0 0
- -2.7136 -1.2891 -0.0011 C 0 0 0
- 1.1348 0.6582 -0.0009 C 0 0 0
- -0.0601 2.6607 -0.0026 O 0 0 0
- -3.8274 0.8423 0.0079 C 0 0 0
- -2.5525 2.8548 0.0019 O 0 0 0
- 1.0797 -0.7492 0.0001 C 0 0 0
- -0.2775 -2.6526 0.0003 O 0 0 0
- -3.8844 -0.5334 -0.0018 C 0 0 0
- -2.7792 -2.6437 -0.0006 O 0 0 0
- 2.3776 1.3034 -0.0002 C 0 0 0
- 2.2575 -1.4855 0.0008 C 0 0 0
- -5.2224 -1.2268 -0.0020 C 0 0 0
- 3.5454 0.5526 0.0015 C 0 0 0
- 2.4402 2.6580 -0.0016 O 0 0 0
- 3.4870 -0.8321 0.0005 C 0 0 0
- 4.6352 -1.5556 0.0012 O 0 0 0
- 5.7140 -0.6184 0.0007 C 0 0 0
- -4.7126 1.3981 0.0000 H 0 0 0
- -2.5173 3.8994 0.0000 H 0 0 0
- -2.8298 -3.6877 0.0000 H 0 0 0
- 2.2208 -2.5301 0.0000 H 0 0 0
- -5.7033 -0.2988 0.0000 H 0 0 0
- -6.1504 -1.7077 0.0000 H 0 0 0
- -4.7415 -2.1548 0.0000 H 0 0 0
- 4.4732 1.0340 0.0000 H 0 0 0
- 2.4885 3.7021 0.0000 H 0 0 0
- 6.3995 -1.4074 0.0000 H 0 0 0
- 6.5030 0.0671 0.0000 H 0 0 0
- 5.0285 0.1706 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 20 21 1 0
- 21 22 1 0
- 7 11 2 0
- 9 13 1 0
- 18 20 1 0
- 9 23 1 0
- 10 24 1 0
- 14 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-185-72-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.7844 0.0000 -0.1894 C 0 0 0
- -2.2654 0.0000 -0.5536 C 0 0 0
- -1.8072 0.0000 0.8010 O 0 0 0
- 0.0154 -1.2884 -0.4072 C 0 0 0
- 0.0154 1.2884 -0.4072 C 0 0 0
- 1.3510 -1.1543 0.3347 C 0 0 0
- 1.3510 1.1544 0.3346 C 0 0 0
- 2.0451 0.0000 -0.1344 O 0 0 0
- -2.7705 0.8748 0.0000 H 0 0 0
- -2.7705 -0.8748 0.0000 H 0 0 0
- -0.9136 -1.6852 0.0000 H 0 0 0
- 0.2672 -2.2667 0.0000 H 0 0 0
- 0.2671 2.2667 0.0000 H 0 0 0
- -0.9136 1.6852 0.0000 H 0 0 0
- 1.2363 -2.1580 0.0000 H 0 0 0
- 2.3075 -1.4793 0.0000 H 0 0 0
- 2.3075 1.4794 0.0000 H 0 0 0
- 1.2363 2.1581 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 3 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-69795-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- 0.1304 -0.5732 0.0609 C 0 0 0
- -1.0575 0.1553 0.1486 C 0 0 0
- 1.3440 0.1279 0.0000 C 0 0 0
- 0.0912 -1.9851 0.0410 C 0 0 0
- -1.0837 1.5580 0.1764 C 0 0 0
- -2.2919 -0.4643 0.2152 C 0 0 0
- 1.3238 1.5409 0.0293 C 0 0 0
- 2.5490 -0.6024 -0.0892 C 0 0 0
- -1.1618 -2.5981 0.1144 C 0 0 0
- 1.3165 -2.6860 -0.0511 C 0 0 0
- 0.0876 2.2365 0.1176 C 0 0 0
- -2.5371 1.9569 0.2736 C 0 0 0
- -3.3277 0.6296 0.2999 C 0 0 0
- -2.3261 -1.8468 0.1923 C 0 0 0
- 2.5493 2.2117 -0.0303 C 0 0 0
- 2.4945 -2.0172 -0.1159 C 0 0 0
- 3.7478 0.1118 -0.1463 C 0 0 0
- -4.1850 0.5632 -0.8414 O 0 0 0
- 3.7271 1.4941 -0.1152 C 0 0 0
- -1.2236 -3.6441 0.0000 H 0 0 0
- 1.3148 -3.7338 0.0000 H 0 0 0
- 0.0810 3.2843 0.0000 H 0 0 0
- -2.1703 2.9384 0.0000 H 0 0 0
- -3.4818 2.4102 0.0000 H 0 0 0
- -3.7043 -0.3482 0.0000 H 0 0 0
- -3.2523 -2.3367 0.0000 H 0 0 0
- 2.5736 3.2592 0.0000 H 0 0 0
- 3.3897 -2.5617 0.0000 H 0 0 0
- 4.6626 -0.3990 0.0000 H 0 0 0
- -5.2297 0.4823 0.0000 H 0 0 0
- 4.6368 2.0141 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 13 18 1 0
- 15 19 2 0
- 7 11 1 0
- 9 14 2 0
- 10 16 2 0
- 12 13 1 0
- 17 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-680-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 0.0132 -0.0262 0.1301 P 0 0 0
- -1.2803 -0.9031 -0.4947 N 0 0 0
- 1.4595 -0.7256 -0.3716 N 0 0 0
- -0.0646 1.5608 -0.4247 N 0 0 0
- -0.0525 -0.0357 1.6086 O 0 0 0
- -0.7727 -2.2486 -0.7945 C 0 0 0
- -2.2544 -1.0525 0.5947 C 0 0 0
- 2.1322 0.2623 -1.2256 C 0 0 0
- 2.2915 -0.8821 0.8289 C 0 0 0
- -1.3407 1.6958 -1.1398 C 0 0 0
- -0.1538 2.4196 0.7637 C 0 0 0
- -1.6423 -2.5767 0.0000 H 0 0 0
- -0.4446 -3.1182 0.0000 H 0 0 0
- 0.0969 -1.9205 0.0000 H 0 0 0
- -2.3953 -0.1338 0.0000 H 0 0 0
- -3.1731 -1.1934 0.0000 H 0 0 0
- -2.1135 -1.9712 0.0000 H 0 0 0
- 2.9004 -0.2608 0.0000 H 0 0 0
- 2.6553 1.0305 0.0000 H 0 0 0
- 1.3640 0.7854 0.0000 H 0 0 0
- 2.1197 -1.7955 0.0000 H 0 0 0
- 3.2049 -1.0539 0.0000 H 0 0 0
- 2.4633 0.0313 0.0000 H 0 0 0
- -1.2429 2.6200 0.0000 H 0 0 0
- -2.2649 1.7936 0.0000 H 0 0 0
- -1.4385 0.7716 0.0000 H 0 0 0
- 0.7706 2.5156 0.0000 H 0 0 0
- -0.2498 3.3440 0.0000 H 0 0 0
- -1.0782 2.3236 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5417-50-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -2.2686 0.9327 -0.0908 N 0 0 0
- -3.3271 0.1053 0.0164 C 0 0 0
- -0.9694 0.4140 -0.0621 C 0 0 0
- -4.7187 0.6727 0.1282 C 0 0 0
- -3.1596 -1.0959 0.0228 O 0 0 0
- 0.1181 1.2655 -0.0366 C 0 0 0
- -0.7644 -0.9709 -0.0534 C 0 0 0
- 1.4036 0.6951 -0.0084 C 0 0 0
- 0.4389 -1.4870 -0.0268 N 0 0 0
- 1.5311 -0.7163 -0.0073 C 0 0 0
- 2.5570 1.4967 0.0181 C 0 0 0
- 2.8166 -1.2853 0.0209 C 0 0 0
- 3.7845 0.9088 0.0445 C 0 0 0
- 3.9124 -0.4789 0.0465 C 0 0 0
- -2.4163 1.9674 0.0000 H 0 0 0
- -4.3241 1.6405 0.0000 H 0 0 0
- -5.6865 1.0673 0.0000 H 0 0 0
- -5.1133 -0.2951 0.0000 H 0 0 0
- -0.0105 2.3027 0.0000 H 0 0 0
- -1.5925 -1.6087 0.0000 H 0 0 0
- 2.4731 2.5385 0.0000 H 0 0 0
- 2.9301 -2.3243 0.0000 H 0 0 0
- 4.6424 1.5059 0.0000 H 0 0 0
- 4.8658 -0.9072 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 11 8 1 0
- 12 10 1 0
- 13 11 2 0
- 14 12 2 0
- 9 10 1 0
- 13 14 1 0
- 1 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.1969 -0.1738 -0.1173 C 0 0 0
- 0.6704 -1.2157 -0.3864 C 0 0 0
- 0.3003 1.0588 0.2633 C 0 0 0
- -1.6844 -0.3796 -0.2446 C 0 0 0
- 2.0353 -1.0253 -0.2752 C 0 0 0
- 1.6648 1.2492 0.3745 C 0 0 0
- -2.2495 -0.8578 1.0944 C 0 0 0
- -2.3062 0.8537 -0.6109 O 0 0 0
- 2.5324 0.2070 0.1052 C 0 0 0
- 0.3036 -2.1643 0.0000 H 0 0 0
- -0.3257 1.8604 0.0000 H 0 0 0
- -1.2698 -1.3083 0.0000 H 0 0 0
- 2.6613 -1.8269 0.0000 H 0 0 0
- 2.0316 2.1978 0.0000 H 0 0 0
- -2.9065 -0.0814 0.0000 H 0 0 0
- -3.0259 -1.5148 0.0000 H 0 0 0
- -1.5925 -1.6342 0.0000 H 0 0 0
- -2.7641 1.7619 0.0000 H 0 0 0
- 3.5372 0.3644 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 9 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2417-77-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.6790 1.2057 0.3436 C 0 0 0
- 0.0301 -0.0001 0.6015 C 0 0 0
- 2.0422 1.2093 -0.1974 C 0 0 0
- 0.0436 2.4422 0.5889 C 0 0 0
- 0.6849 -1.2030 0.3421 C 0 0 0
- -1.3708 -0.0038 1.1569 C 0 0 0
- 2.6974 0.0070 -0.4560 C 0 0 0
- 2.6696 2.4490 -0.4474 C 0 0 0
- 0.7043 3.5985 0.3260 C 0 0 0
- 2.0481 -1.1993 -0.1989 C 0 0 0
- 0.0581 -2.4425 0.5918 C 0 0 0
- -2.6631 -0.0063 -0.3246 Br 0 0 0
- 2.0032 3.6019 -0.1839 C 0 0 0
- 2.6817 -2.4352 -0.4494 C 0 0 0
- 0.7248 -3.5955 0.3282 C 0 0 0
- 2.0213 -3.5920 -0.1864 C 0 0 0
- -0.9808 2.4650 0.0000 H 0 0 0
- -1.8812 -0.8923 0.0000 H 0 0 0
- -0.8563 -0.8900 0.0000 H 0 0 0
- 3.7221 0.0097 0.0000 H 0 0 0
- 3.6939 2.4775 0.0000 H 0 0 0
- 0.1888 4.4841 0.0000 H 0 0 0
- -0.9662 -2.4712 0.0000 H 0 0 0
- 2.5141 4.4901 0.0000 H 0 0 0
- 3.7061 -2.4583 0.0000 H 0 0 0
- 0.2140 -4.4837 0.0000 H 0 0 0
- 2.5370 -4.4774 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 2 0
- 11 15 1 0
- 14 16 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 2 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3333-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.4130 0.7302 0.0035 C 0 0 0
- -0.0328 -0.6163 0.0018 C 0 0 0
- 1.8606 0.9946 0.0025 C 0 0 0
- -0.4418 1.7418 0.0004 N 0 0 0
- -1.4016 -0.8983 0.0025 C 0 0 0
- 0.9369 -1.7087 -0.0012 C 0 0 0
- 2.7633 -0.0888 0.0000 C 0 0 0
- 2.3498 2.3026 0.0036 C 0 0 0
- -1.7577 1.5446 -0.0046 C 0 0 0
- -2.2940 0.1812 0.0053 C 0 0 0
- -1.9779 -2.5358 -0.0007 Cl 0 0 0
- 2.2612 -1.4595 -0.0020 C 0 0 0
- 0.4493 -3.1347 -0.0028 C 0 0 0
- 4.1413 0.1675 -0.0009 C 0 0 0
- 3.6987 2.5214 0.0022 C 0 0 0
- -2.6637 2.6226 -0.0079 C 0 0 0
- -3.6878 -0.0067 0.0066 C 0 0 0
- 3.2353 -2.6094 -0.0045 C 0 0 0
- 4.5905 1.4565 0.0006 C 0 0 0
- -4.0005 2.3759 -0.0130 C 0 0 0
- -4.5080 1.0783 0.0098 C 0 0 0
- 1.6835 3.1152 0.0000 H 0 0 0
- -0.5450 -2.7947 0.0000 H 0 0 0
- 0.1093 -4.1290 0.0000 H 0 0 0
- 1.4436 -3.4747 0.0000 H 0 0 0
- 4.8260 -0.6296 0.0000 H 0 0 0
- 4.0654 3.5062 0.0000 H 0 0 0
- -2.3086 3.6116 0.0000 H 0 0 0
- -4.0919 -0.9767 0.0000 H 0 0 0
- 2.4335 -3.2886 0.0000 H 0 0 0
- 3.9145 -3.4112 0.0000 H 0 0 0
- 4.0371 -1.9302 0.0000 H 0 0 0
- 5.6242 1.6456 0.0000 H 0 0 0
- -4.6696 3.1862 0.0000 H 0 0 0
- -5.5490 0.9345 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 14 19 2 0
- 16 20 2 0
- 17 21 2 0
- 7 12 1 0
- 9 10 1 0
- 15 19 1 0
- 20 21 1 0
- 8 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.9517 0.0001 0.0038 C 0 0 0
- -0.2629 -1.2002 0.0040 C 0 0 0
- -0.2632 1.2000 0.0020 C 0 0 0
- -2.4317 0.0000 -0.0008 N 0 3 0
- 1.1163 -1.2075 0.0024 C 0 0 0
- 1.1165 1.2073 0.0004 C 0 0 0
- -3.0407 1.0549 -0.0009 O 0 0 0
- -3.0407 -1.0548 -0.0043 O 0 5 0
- 1.8177 0.0001 0.0006 C 0 0 0
- 3.2497 0.0001 -0.0015 C 0 0 0
- 4.3857 0.0001 -0.0032 N 0 0 0
- -0.7852 -2.0967 0.0000 H 0 0 0
- -0.7855 2.0965 0.0000 H 0 0 0
- 1.6315 -2.1081 0.0000 H 0 0 0
- 1.6317 2.1079 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 3 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.0000 -0.5205 0.0000 N 0 0 0
- -1.1786 0.3564 0.0000 C 0 0 0
- 1.1786 0.3564 0.0000 C 0 0 0
- -2.4488 -0.4965 0.0000 C 0 0 0
- 2.4488 -0.4965 0.0000 C 0 0 0
- -3.6274 0.3804 0.0000 N 0 0 0
- 3.6274 0.3804 0.0000 N 0 0 0
- 0.0000 -1.6223 0.0000 H 0 0 0
- -0.4252 1.1603 0.0000 H 0 0 0
- -1.8922 1.1958 0.0000 H 0 0 0
- 1.8922 1.1958 0.0000 H 0 0 0
- 0.4252 1.1603 0.0000 H 0 0 0
- -3.2022 -1.3004 0.0000 H 0 0 0
- -1.7352 -1.3359 0.0000 H 0 0 0
- 1.7352 -1.3359 0.0000 H 0 0 0
- 3.2022 -1.3004 0.0000 H 0 0 0
- -3.4998 1.4748 0.0000 H 0 0 0
- -4.6389 -0.0563 0.0000 H 0 0 0
- 4.6389 -0.0563 0.0000 H 0 0 0
- 3.4998 1.4748 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-930-55-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.2432 -0.2522 0.0329 N 0 0 0
- -0.8573 -1.2250 -0.0303 C 0 0 0
- -0.3247 1.0904 0.2525 C 0 0 0
- 1.4982 -0.5285 -0.0795 N 0 0 0
- -2.1746 -0.4379 0.1333 C 0 0 0
- -1.7741 1.0010 -0.2868 C 0 0 0
- 2.3264 0.3620 -0.0108 O 0 0 0
- -1.5114 -2.1011 0.0000 H 0 0 0
- -0.0530 -1.9656 0.0000 H 0 0 0
- 0.7238 1.4002 0.0000 H 0 0 0
- -0.5145 2.1671 0.0000 H 0 0 0
- -3.1976 -0.0522 0.0000 H 0 0 0
- -2.6497 -1.4226 0.0000 H 0 0 0
- -1.7201 2.0930 0.0000 H 0 0 0
- -2.8534 1.1757 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 6 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-35-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 0.7411 0.4909 0.0822 C 0 0 0
- -0.7413 0.4961 0.0348 C 0 0 0
- 1.4014 0.6712 1.2965 C 0 0 0
- 1.4764 0.2998 -1.0870 C 0 0 0
- -1.4038 1.1202 -1.0210 C 0 0 0
- -1.4744 -0.1281 1.0433 C 0 0 0
- 2.7797 0.6655 1.3380 C 0 0 0
- 2.8541 0.2948 -1.0405 C 0 0 0
- -2.7821 1.1233 -1.0630 C 0 0 0
- -2.8521 -0.1224 0.9969 C 0 0 0
- 3.5103 0.4801 0.1707 C 0 0 0
- -3.5105 0.5051 -0.0541 C 0 0 0
- 4.9081 0.4747 0.2154 N 0 0 0
- -4.9083 0.5096 -0.0990 N 0 0 0
- 5.5884 -0.6422 -0.1103 C 0 0 0
- -5.5883 -0.6525 -0.0389 C 0 0 0
- 7.0881 -0.6801 0.0339 C 0 0 0
- 4.9937 -1.6169 -0.5195 O 0 0 0
- -7.0926 -0.6416 0.0503 C 0 0 0
- -4.9894 -1.7071 -0.0567 O 0 0 0
- 1.2731 1.6436 0.0000 H 0 0 0
- 1.3503 -0.6729 0.0000 H 0 0 0
- -1.0410 2.0315 0.0000 H 0 0 0
- -1.1375 -1.0493 0.0000 H 0 0 0
- 2.9033 1.6385 0.0000 H 0 0 0
- 2.9869 -0.6770 0.0000 H 0 0 0
- -3.1191 2.0444 0.0000 H 0 0 0
- -3.2184 -1.0323 0.0000 H 0 0 0
- 5.3902 1.3289 0.0000 H 0 0 0
- -5.3949 1.3612 0.0000 H 0 0 0
- 7.0633 -1.6606 0.0000 H 0 0 0
- 8.0686 -0.7049 0.0000 H 0 0 0
- 7.1129 0.3004 0.0000 H 0 0 0
- -7.0855 0.3392 0.0000 H 0 0 0
- -8.0734 -0.6345 0.0000 H 0 0 0
- -7.0997 -1.6224 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 16 20 2 0
- 8 11 1 0
- 10 12 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 14 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-498-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.7041 -0.8642 -0.3360 C 0 0 0
- -0.6484 -1.0938 0.3414 C 0 0 0
- 1.2859 0.4439 0.1346 C 0 0 0
- 1.6563 -2.0057 0.0265 C 0 0 0
- -1.6343 -0.0620 -0.1428 C 0 0 0
- 0.6808 1.1228 0.9301 O 0 0 0
- 2.4763 0.8547 -0.3300 O 0 0 0
- -1.3278 0.6956 -1.0327 O 0 0 0
- -2.8529 0.0155 0.4147 O 0 0 0
- 0.0990 -0.0849 0.0000 H 0 0 0
- -1.4820 -1.6217 0.0000 H 0 0 0
- -0.2950 -2.0150 0.0000 H 0 0 0
- 0.8986 -2.6377 0.0000 H 0 0 0
- 2.2883 -2.7634 0.0000 H 0 0 0
- 2.4140 -1.3737 0.0000 H 0 0 0
- 3.4090 1.1766 0.0000 H 0 0 0
- -3.8376 0.0781 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 5 2 0
- 9 5 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2461-18-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 47 1 V2000
- -7.2249 0.3813 -0.2829 C 0 0 0
- -8.4406 -0.5437 -0.1974 C 0 0 0
- -7.9992 0.2439 0.9103 O 0 0 0
- -5.9444 -0.4466 -0.1580 C 0 0 0
- -4.8089 0.4174 -0.2379 O 0 0 0
- -3.6506 -0.4105 -0.1155 C 0 0 0
- -2.3930 0.4574 -0.1933 C 0 0 0
- -1.1528 -0.4289 -0.0623 C 0 0 0
- 0.1048 0.4390 -0.1401 C 0 0 0
- 1.3451 -0.4474 -0.0091 C 0 0 0
- 2.6027 0.4205 -0.0870 C 0 0 0
- 3.8429 -0.4658 0.0440 C 0 0 0
- 5.1005 0.4021 -0.0338 C 0 0 0
- 6.3407 -0.4843 0.0972 C 0 0 0
- 7.5983 0.3836 0.0194 C 0 0 0
- 8.8385 -0.5028 0.1504 C 0 0 0
- 10.0962 0.3651 0.0726 C 0 0 0
- -6.9987 1.5021 0.0000 H 0 0 0
- -9.5752 -0.4026 0.0000 H 0 0 0
- -8.1430 -1.6476 0.0000 H 0 0 0
- -6.6717 -1.3288 0.0000 H 0 0 0
- -5.1518 -1.2707 0.0000 H 0 0 0
- -4.4181 -1.2580 0.0000 H 0 0 0
- -2.8972 -1.2705 0.0000 H 0 0 0
- -1.6255 1.3049 0.0000 H 0 0 0
- -3.1465 1.3174 0.0000 H 0 0 0
- -1.9203 -1.2764 0.0000 H 0 0 0
- -0.3993 -1.2889 0.0000 H 0 0 0
- 0.8723 1.2865 0.0000 H 0 0 0
- -0.6487 1.2990 0.0000 H 0 0 0
- 0.5776 -1.2949 0.0000 H 0 0 0
- 2.0986 -1.3074 0.0000 H 0 0 0
- 3.3702 1.2680 0.0000 H 0 0 0
- 1.8492 1.2805 0.0000 H 0 0 0
- 3.0754 -1.3133 0.0000 H 0 0 0
- 4.5964 -1.3258 0.0000 H 0 0 0
- 5.8680 1.2496 0.0000 H 0 0 0
- 4.3470 1.2621 0.0000 H 0 0 0
- 5.5732 -1.3318 0.0000 H 0 0 0
- 7.0942 -1.3443 0.0000 H 0 0 0
- 8.3658 1.2311 0.0000 H 0 0 0
- 6.8448 1.2436 0.0000 H 0 0 0
- 8.0710 -1.3503 0.0000 H 0 0 0
- 9.5919 -1.3628 0.0000 H 0 0 0
- 10.7456 -0.5759 0.0000 H 0 0 0
- 11.0372 1.0145 0.0000 H 0 0 0
- 9.4468 1.3061 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 2 3 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 17 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21466-07-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.6093 -0.4811 -0.3237 C 0 0 0
- -0.8710 -0.4164 -0.2657 C 0 0 0
- 1.3718 0.6661 -0.0869 C 0 0 0
- 1.2462 -1.6871 -0.6090 C 0 0 0
- -1.5753 0.3771 -1.1763 C 0 0 0
- -1.5662 -1.1503 0.6926 C 0 0 0
- 2.7553 0.5969 -0.1426 C 0 0 0
- 0.7591 1.8453 0.1975 O 0 0 0
- 2.6250 -1.7426 -0.6615 C 0 0 0
- -2.9588 0.4317 -1.1155 C 0 0 0
- -0.9056 1.0920 -2.1181 O 0 0 0
- -2.9451 -1.0873 0.7426 C 0 0 0
- 3.3776 -0.6034 -0.4321 C 0 0 0
- 3.7923 2.1457 0.1769 Br 0 0 0
- 0.8128 2.0237 1.7967 P 0 0 0
- 3.4880 -3.3802 -1.0481 Br 0 0 0
- -3.6395 -0.2972 -0.1570 C 0 0 0
- -3.9169 1.5030 -2.3444 Br 0 0 0
- -3.8875 -2.0847 2.0438 Br 0 0 0
- 0.2748 3.4889 2.1915 O 0 0 0
- -0.1139 0.9062 2.4928 O 0 0 0
- 2.2085 1.8682 2.2639 O 0 0 0
- 0.6952 -2.5610 0.0000 H 0 0 0
- -1.1797 -2.1084 0.0000 H 0 0 0
- -0.1993 1.8460 0.0000 H 0 0 0
- 4.4093 -0.6579 0.0000 H 0 0 0
- -4.6725 -0.2816 0.0000 H 0 0 0
- -0.0813 4.4587 0.0000 H 0 0 0
- -0.7734 0.1109 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 12 19 1 0
- 15 20 1 0
- 15 21 1 0
- 15 22 2 0
- 9 13 1 0
- 12 17 2 0
- 4 23 1 0
- 6 24 1 0
- 11 25 1 0
- 13 26 1 0
- 17 27 1 0
- 20 28 1 0
- 21 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18024-11-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 0.4122 -0.7001 -0.0023 C 0 0 0
- -1.0556 -0.5597 -0.0015 C 0 0 0
- 0.9364 0.6010 -0.0007 C 0 0 0
- 1.2703 -1.7974 0.0009 C 0 0 0
- -1.3235 0.8175 0.0005 C 0 0 0
- -2.1059 -1.4740 -0.0027 C 0 0 0
- -0.1181 1.4964 0.0009 N 0 0 0
- 2.3166 0.7798 -0.0011 C 0 0 0
- 2.6342 -1.6001 -0.0011 C 0 0 0
- 0.7088 -3.1959 0.0069 C 0 0 0
- -2.6444 1.2548 0.0013 C 0 0 0
- -3.4080 -1.0215 -0.0019 C 0 0 0
- 0.0216 2.9548 0.0033 C 0 0 0
- 3.1540 -0.3147 -0.0029 C 0 0 0
- 2.8957 2.1711 0.0001 C 0 0 0
- -3.6745 0.3388 0.0000 C 0 0 0
- -1.9079 -2.4987 0.0000 H 0 0 0
- 3.2783 -2.4213 0.0000 H 0 0 0
- -0.2597 -2.8070 0.0000 H 0 0 0
- 0.3199 -4.1644 0.0000 H 0 0 0
- 1.6773 -3.5848 0.0000 H 0 0 0
- -2.8554 2.2769 0.0000 H 0 0 0
- -4.1961 -1.7057 0.0000 H 0 0 0
- 1.0605 2.8553 0.0000 H 0 0 0
- 0.1211 3.9937 0.0000 H 0 0 0
- -1.0173 3.0543 0.0000 H 0 0 0
- 4.1883 -0.1748 0.0000 H 0 0 0
- 3.8592 1.7700 0.0000 H 0 0 0
- 3.2968 3.1346 0.0000 H 0 0 0
- 1.9322 2.5722 0.0000 H 0 0 0
- -4.6635 0.6723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 11 16 1 0
- 5 7 1 0
- 9 14 1 0
- 12 16 2 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-161696-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.6822 0.4747 -0.0024 C 0 0 0
- -0.9612 -0.9161 -0.0012 C 0 0 0
- 0.6524 0.9100 -0.0017 C 0 0 0
- -1.6934 1.3512 0.0015 N 0 0 0
- 0.1027 -1.8367 0.0006 C 0 0 0
- -2.2315 -1.3334 -0.0014 N 0 0 0
- 1.6702 -0.0183 0.0000 C 0 0 0
- 0.9696 2.3832 -0.0025 C 0 0 0
- -2.9328 0.9153 0.0063 C 0 0 0
- 1.3858 -1.3905 0.0011 C 0 0 0
- -3.2068 -0.4534 -0.0026 C 0 0 0
- 2.9968 0.4117 0.0002 N 0 0 0
- 4.0848 -0.5693 0.0020 C 0 0 0
- -0.0942 -2.8644 0.0000 H 0 0 0
- 1.9926 2.1629 0.0000 H 0 0 0
- 1.1899 3.4062 0.0000 H 0 0 0
- -0.0534 2.6035 0.0000 H 0 0 0
- -3.7229 1.6014 0.0000 H 0 0 0
- 2.1723 -2.0807 0.0000 H 0 0 0
- -4.2002 -0.7821 0.0000 H 0 0 0
- 3.2151 1.4351 0.0000 H 0 0 0
- 3.3841 -1.3464 0.0000 H 0 0 0
- 4.8619 -1.2700 0.0000 H 0 0 0
- 4.7855 0.2078 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 1 0
- 7 10 1 0
- 9 11 1 0
- 5 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-138835-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.4166 0.2538 0.0012 C 0 0 0
- -0.9147 0.6992 0.0153 C 0 0 0
- 1.4694 1.1893 0.0149 C 0 0 0
- 0.7148 -1.1781 -0.0216 C 0 0 0
- -1.9726 -0.2368 0.0021 C 0 0 0
- -1.1810 2.0877 0.0433 C 0 0 0
- 2.8302 0.6563 -0.0005 C 0 0 0
- 1.1823 2.5632 0.0427 C 0 0 0
- 1.9715 -1.5909 -0.0347 N 0 3 0
- -0.4044 -2.1205 -0.0297 C 0 0 0
- -3.2870 0.2348 0.0166 C 0 0 0
- -1.6776 -1.6666 -0.0259 C 0 0 0
- -0.1036 3.0018 0.0560 C 0 0 0
- -2.5130 2.5184 0.0571 C 0 0 0
- 3.0123 -0.7504 -0.0279 C 0 0 0
- 3.9427 1.5031 0.0108 C 0 0 0
- 2.2263 -2.9836 -0.0562 O 0 5 0
- -3.5378 1.5949 0.0435 C 0 0 0
- -4.4158 -0.7240 0.0027 N 0 3 0
- 4.3260 -1.2598 -0.0427 C 0 0 0
- 5.1988 0.9721 -0.0045 C 0 0 0
- -5.3493 -0.5547 -0.7611 O 0 0 0
- -4.4105 -1.6819 0.7550 O 0 5 0
- 5.3861 -0.4075 -0.0306 C 0 0 0
- 1.9699 3.2596 0.0000 H 0 0 0
- -0.2175 -3.1551 0.0000 H 0 0 0
- -2.4708 -2.3566 0.0000 H 0 0 0
- -0.2995 4.0347 0.0000 H 0 0 0
- -2.7325 3.5465 0.0000 H 0 0 0
- 3.8113 2.5462 0.0000 H 0 0 0
- -4.5332 1.9331 0.0000 H 0 0 0
- 4.4869 -2.2987 0.0000 H 0 0 0
- 6.0339 1.6108 0.0000 H 0 0 0
- 6.3627 -0.7968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 11 18 2 0
- 11 19 1 0
- 15 20 1 0
- 16 21 2 0
- 19 22 2 0
- 19 23 1 0
- 20 24 2 0
- 8 13 2 0
- 9 15 2 0
- 10 12 2 0
- 14 18 1 0
- 21 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 20 32 1 0
- 21 33 1 0
- 24 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6358-07-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.3916 0.5413 0.0031 C 0 0 0
- -0.2960 -0.8390 0.0015 C 0 0 0
- 0.7530 1.3172 0.0028 C 0 0 0
- -1.7226 1.1891 -0.0010 N 0 3 0
- 0.9453 -1.4491 -0.0008 C 0 0 0
- -1.7370 -1.8071 0.0019 Cl 0 0 0
- 1.9995 0.7135 0.0009 C 0 0 0
- -1.8085 2.4041 0.0003 O 0 0 0
- -2.7318 0.5072 -0.0058 O 0 5 0
- 2.0973 -0.6761 -0.0012 C 0 0 0
- 3.1260 1.4761 0.0010 O 0 0 0
- 3.3546 -1.2909 -0.0040 N 0 0 0
- 0.6779 2.3527 0.0000 H 0 0 0
- 1.0149 -2.4850 0.0000 H 0 0 0
- 3.9857 2.0581 0.0000 H 0 0 0
- 3.4260 -2.3267 0.0000 H 0 0 0
- 4.2159 -0.7112 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 1 0
- 7 10 2 0
- 3 13 1 0
- 5 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-99-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.4475 -0.4790 0.0737 C 0 0 0
- -1.7687 -0.0072 -0.3618 N 0 0 0
- 0.6299 0.4809 -0.4350 C 0 0 0
- -2.7519 -0.9676 0.1566 C 0 0 0
- -2.0132 1.2638 0.3329 C 0 0 0
- 2.2516 -0.0982 0.0995 Cl 0 0 0
- -0.9608 -1.3975 0.0000 H 0 0 0
- 0.3731 -1.1376 0.0000 H 0 0 0
- 1.1432 1.3994 0.0000 H 0 0 0
- -0.1907 1.1395 0.0000 H 0 0 0
- -3.4871 -0.2149 0.0000 H 0 0 0
- -3.5046 -1.7028 0.0000 H 0 0 0
- -2.0167 -1.7203 0.0000 H 0 0 0
- -0.9800 1.4626 0.0000 H 0 0 0
- -2.2120 2.2970 0.0000 H 0 0 0
- -3.0464 1.0650 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.4627 -0.2729 0.0023 C 0 0 0
- 0.4782 -1.2946 0.0012 C 0 0 0
- -0.0448 1.0521 0.0015 C 0 0 0
- -1.8259 -0.5769 -0.0017 N 0 0 0
- 1.8256 -0.9904 -0.0006 C 0 0 0
- 1.3037 1.3491 -0.0003 C 0 0 0
- -2.7500 0.4291 -0.0006 N 0 0 0
- 2.2380 0.3293 -0.0014 C 0 0 0
- 0.1695 -2.2847 0.0000 H 0 0 0
- -0.7449 1.8173 0.0000 H 0 0 0
- -2.1366 -1.5664 0.0000 H 0 0 0
- 2.5287 -1.7528 0.0000 H 0 0 0
- 1.6163 2.3380 0.0000 H 0 0 0
- -2.4393 1.4186 0.0000 H 0 0 0
- -3.7623 0.2034 0.0000 H 0 0 0
- 3.2503 0.5550 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-131-53-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.5747 0.5213 -0.1058 C 0 0 0
- -0.7893 1.0731 -0.1605 C 0 0 0
- 1.6850 1.3798 -0.1507 C 0 0 0
- 0.7701 -0.8604 -0.0030 C 0 0 0
- -1.9487 0.1659 -0.2555 C 0 0 0
- -0.9601 2.2772 -0.1273 O 0 0 0
- 2.9629 0.8495 -0.0981 C 0 0 0
- 1.5066 2.7213 -0.2447 O 0 0 0
- 2.0353 -1.3706 0.0481 C 0 0 0
- -2.6195 -0.2452 0.9051 C 0 0 0
- -2.3886 -0.2843 -1.5034 C 0 0 0
- 3.1387 -0.5232 -0.0015 C 0 0 0
- -3.7086 -1.0979 0.8036 C 0 0 0
- -2.2049 0.1888 2.1216 O 0 0 0
- -3.4722 -1.1310 -1.5852 C 0 0 0
- 4.3917 -1.0418 0.0496 O 0 0 0
- -4.1291 -1.5391 -0.4353 C 0 0 0
- 4.2479 -2.4604 0.1454 C 0 0 0
- -0.0422 -1.4960 0.0000 H 0 0 0
- 3.7825 1.4757 0.0000 H 0 0 0
- 1.3706 3.7437 0.0000 H 0 0 0
- 2.1749 -2.3925 0.0000 H 0 0 0
- -1.7007 -1.0528 0.0000 H 0 0 0
- -4.4016 -0.3341 0.0000 H 0 0 0
- -1.4925 0.9346 0.0000 H 0 0 0
- -2.8817 -1.9766 0.0000 H 0 0 0
- -4.9293 -2.1898 0.0000 H 0 0 0
- 3.2218 -2.3564 0.0000 H 0 0 0
- 4.1439 -3.4865 0.0000 H 0 0 0
- 5.2740 -2.5644 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 7 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 16 18 1 0
- 9 12 1 0
- 15 17 1 0
- 4 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 18 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-68-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 0.1993 0.1526 0.1464 C 0 0 0
- 1.5583 -0.1010 -0.0523 N 0 0 0
- -0.7532 -0.5717 -0.5575 C 0 0 0
- -0.2014 1.1262 1.0530 C 0 0 0
- 2.3139 -0.8659 0.9429 C 0 0 0
- 2.2282 0.3978 -1.2559 C 0 0 0
- -2.1006 -0.3174 -0.3572 C 0 0 0
- -1.5457 1.3766 1.2497 C 0 0 0
- 2.0258 -2.3580 0.7655 C 0 0 0
- 2.5547 1.8822 -1.0797 C 0 0 0
- -2.4949 0.6602 0.5460 C 0 0 0
- -3.0355 -1.0244 -1.0450 O 0 0 0
- -0.5477 -1.4425 0.0000 H 0 0 0
- 0.3627 1.8206 0.0000 H 0 0 0
- 3.1411 -1.2069 0.0000 H 0 0 0
- 2.8126 -0.1231 0.0000 H 0 0 0
- 2.5388 -0.4412 0.0000 H 0 0 0
- 3.1208 0.4595 0.0000 H 0 0 0
- -1.7507 2.2475 0.0000 H 0 0 0
- 1.1473 -2.1884 0.0000 H 0 0 0
- 1.8562 -3.2365 0.0000 H 0 0 0
- 2.9043 -2.5276 0.0000 H 0 0 0
- 3.4285 1.6900 0.0000 H 0 0 0
- 2.7469 2.7560 0.0000 H 0 0 0
- 1.6809 2.0744 0.0000 H 0 0 0
- -3.3571 0.8992 0.0000 H 0 0 0
- -3.7491 -1.5640 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 11 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23043-60-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.0608 0.2168 -0.0027 C 0 0 0
- -0.8458 -1.1864 -0.0018 C 0 0 0
- 0.0435 1.0867 -0.0024 C 0 0 0
- -2.3802 0.7204 0.0020 C 0 0 0
- 0.3903 -1.6853 -0.0003 N 0 0 0
- -1.9606 -2.0477 -0.0020 C 0 0 0
- 1.3320 0.5134 -0.0013 C 0 0 0
- -0.1273 2.4543 -0.0028 N 0 0 0
- -3.4414 -0.1611 0.0075 C 0 0 0
- -2.6075 2.0919 0.0017 N 0 0 0
- 1.4662 -0.8996 0.0000 C 0 0 0
- -3.2210 -1.5351 -0.0032 C 0 0 0
- 2.4814 1.3210 -0.0004 C 0 0 0
- 2.7598 -1.4599 0.0017 C 0 0 0
- 3.7126 0.7410 0.0013 C 0 0 0
- 3.8492 -0.6468 0.0029 C 0 0 0
- -1.8192 -3.0829 0.0000 H 0 0 0
- 0.7058 3.0848 0.0000 H 0 0 0
- -1.0899 2.8605 0.0000 H 0 0 0
- -4.4195 0.2063 0.0000 H 0 0 0
- -1.8003 2.7552 0.0000 H 0 0 0
- -3.5855 2.4593 0.0000 H 0 0 0
- -4.0388 -2.1854 0.0000 H 0 0 0
- 2.3915 2.3619 0.0000 H 0 0 0
- 2.8809 -2.4976 0.0000 H 0 0 0
- 4.5663 1.3432 0.0000 H 0 0 0
- 4.8050 -1.0688 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 11 1 0
- 9 12 1 0
- 15 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.1745 -0.2281 -0.2194 C 0 0 0
- 0.7266 -1.1840 0.0702 C 0 0 0
- 0.4506 0.9606 -0.2122 O 0 0 0
- -1.6361 -0.4536 -0.5092 C 0 0 0
- 1.9667 -0.5329 0.2630 C 0 0 0
- 1.7492 0.7818 0.0798 C 0 0 0
- -2.4262 0.2530 0.4492 O 0 0 0
- 0.5617 -2.1697 0.0000 H 0 0 0
- -2.4543 -1.0276 0.0000 H 0 0 0
- -1.2631 -1.3808 0.0000 H 0 0 0
- 2.8615 -0.9781 0.0000 H 0 0 0
- 2.4463 1.4980 0.0000 H 0 0 0
- -3.1712 0.9192 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 6 2 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-133331-34-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 85 89 1 V2000
- -1.6521 -1.2519 -0.3449 C 0 0 0
- -2.2928 0.0667 -0.7383 C 0 0 2
- -0.2926 -1.4418 -0.9943 C 0 0 0
- -1.5098 -1.3725 1.4778 S 0 0 0
- -2.7577 -2.6495 -0.7534 S 0 0 0
- -1.3592 1.2250 -0.3737 C 0 0 1
- -3.6305 0.2460 -0.0185 C 0 0 0
- 0.6295 -0.2776 -0.6193 C 0 0 2
- -1.9521 -3.1261 1.7976 C 0 0 0
- -0.1487 -1.1786 1.8370 O 0 0 0
- -2.5043 -0.5432 2.0630 O 0 0 0
- -3.1505 -3.4184 0.8597 C 0 0 0
- -3.9596 -2.1191 -1.2950 O 0 0 0
- -2.0183 -3.5882 -1.5225 O 0 0 0
- -0.0183 1.0366 -1.0839 C 0 0 2
- -1.9949 2.5452 -0.8123 C 0 0 0
- -1.1366 1.2438 1.1399 C 0 0 0
- -4.2674 1.5682 -0.4517 C 0 0 2
- 1.9485 -0.4093 -1.3577 C 0 0 1
- 0.8852 2.2385 -0.8284 C 0 0 0
- -3.3345 2.7269 -0.0952 C 0 0 0
- -5.9861 1.8020 0.4740 Br 0 0 0
- 2.8471 0.7586 -0.8694 C 0 0 2
- 2.7932 -1.6291 -0.9720 C 0 0 0
- 2.2766 2.0366 -1.4517 C 0 0 0
- 4.2367 0.3559 -1.3519 C 0 0 2
- 2.8262 0.8284 0.6588 C 0 0 0
- 4.2312 -1.1933 -1.3656 C 0 0 0
- 5.2863 0.8534 -0.3561 C 0 0 1
- 6.6254 0.1712 -0.6431 C 0 0 0
- 5.4454 2.3686 -0.4971 C 0 0 0
- 7.6750 0.6687 0.3527 C 0 0 0
- 9.0141 -0.0136 0.0656 C 0 0 0
- 10.0637 0.4839 1.0615 C 0 0 0
- 9.6153 0.1483 2.4853 C 0 0 0
- 11.4028 -0.1983 0.7744 C 0 0 0
- -2.9195 -0.8003 0.0000 H 0 0 0
- -0.6249 -2.4587 0.0000 H 0 0 0
- 0.6499 -1.9479 0.0000 H 0 0 0
- -4.6657 -0.0237 0.0000 H 0 0 0
- -3.5655 -0.8218 0.0000 H 0 0 0
- 1.0468 -1.2626 0.0000 H 0 0 0
- -1.8697 -4.1927 0.0000 H 0 0 0
- -0.8862 -3.2169 0.0000 H 0 0 0
- -4.1908 -3.1692 0.0000 H 0 0 0
- -3.1483 -4.4882 0.0000 H 0 0 0
- -0.6453 0.1698 0.0000 H 0 0 0
- -0.9595 2.8143 0.0000 H 0 0 0
- -2.0587 3.6131 0.0000 H 0 0 0
- -1.0466 0.1778 0.0000 H 0 0 0
- -0.0706 1.3338 0.0000 H 0 0 0
- -1.2266 2.3098 0.0000 H 0 0 0
- -4.8964 0.7029 0.0000 H 0 0 0
- 1.4055 -1.3311 0.0000 H 0 0 0
- 1.2125 3.2570 0.0000 H 0 0 0
- -0.0648 2.7304 0.0000 H 0 0 0
- -3.0022 3.7438 0.0000 H 0 0 0
- -4.2749 3.2368 0.0000 H 0 0 0
- 1.8553 -2.1437 0.0000 H 0 0 0
- 3.2079 -2.6152 0.0000 H 0 0 0
- 3.3178 2.2824 0.0000 H 0 0 0
- 2.2297 3.1054 0.0000 H 0 0 0
- 4.1509 1.4222 0.0000 H 0 0 0
- 3.8510 1.1353 0.0000 H 0 0 0
- 2.5193 1.8532 0.0000 H 0 0 0
- 1.8014 0.5215 0.0000 H 0 0 0
- 4.4385 -2.2428 0.0000 H 0 0 0
- 5.2961 -1.0911 0.0000 H 0 0 0
- 5.2710 -0.2163 0.0000 H 0 0 0
- 5.9443 -0.6537 0.0000 H 0 0 0
- 7.2827 -0.6729 0.0000 H 0 0 0
- 6.5093 2.2569 0.0000 H 0 0 0
- 5.5571 3.4325 0.0000 H 0 0 0
- 4.3815 2.4803 0.0000 H 0 0 0
- 8.3561 1.4936 0.0000 H 0 0 0
- 7.0177 1.5128 0.0000 H 0 0 0
- 8.3330 -0.8385 0.0000 H 0 0 0
- 9.6714 -0.8577 0.0000 H 0 0 0
- 10.0790 1.5536 0.0000 H 0 0 0
- 8.9743 1.0048 0.0000 H 0 0 0
- 8.7588 -0.4927 0.0000 H 0 0 0
- 10.2563 -0.7082 0.0000 H 0 0 0
- 10.9172 -1.1515 0.0000 H 0 0 0
- 12.3560 -0.6839 0.0000 H 0 0 0
- 11.8884 0.7549 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 4 11 2 0
- 5 12 1 0
- 5 13 2 0
- 5 14 2 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 23 26 1 0
- 23 27 1 0
- 24 28 1 0
- 26 29 1 0
- 29 30 1 0
- 29 31 1 0
- 30 32 1 0
- 32 33 1 0
- 33 34 1 0
- 34 35 1 0
- 34 36 1 0
- 8 15 1 0
- 9 12 1 0
- 18 21 1 0
- 23 25 1 0
- 26 28 1 0
- 2 37 1 0
- 3 38 1 0
- 3 39 1 0
- 7 40 1 0
- 7 41 1 0
- 8 42 1 0
- 9 43 1 0
- 9 44 1 0
- 12 45 1 0
- 12 46 1 0
- 15 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 27 64 1 0
- 27 65 1 0
- 27 66 1 0
- 28 67 1 0
- 28 68 1 0
- 29 69 1 0
- 30 70 1 0
- 30 71 1 0
- 31 72 1 0
- 31 73 1 0
- 31 74 1 0
- 32 75 1 0
- 32 76 1 0
- 33 77 1 0
- 33 78 1 0
- 34 79 1 0
- 35 80 1 0
- 35 81 1 0
- 35 82 1 0
- 36 83 1 0
- 36 84 1 0
- 36 85 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-56-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 0.2842 -0.0203 -0.5839 C 0 0 0
- -0.8068 -0.8066 0.1458 C 0 0 0
- -0.7753 0.6220 0.1282 O 0 0 0
- 1.5554 -0.0017 0.2674 C 0 0 0
- 0.5413 0.9265 0.0000 H 0 0 0
- -1.7696 -0.9952 0.0000 H 0 0 0
- -0.4167 -1.7067 0.0000 H 0 0 0
- 1.5698 -0.9827 0.0000 H 0 0 0
- 2.5364 0.0127 0.0000 H 0 0 0
- 1.5410 0.9793 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 3 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98046-74-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.3629 -0.8152 0.0333 C 0 0 0
- -1.7424 -0.7802 0.0305 N 0 0 0
- 0.0639 0.5258 -0.0218 C 0 0 0
- 0.5253 -1.7958 0.0795 N 0 0 0
- -2.1180 0.5393 -0.0245 C 0 0 0
- -2.6856 -1.7668 0.0700 C 0 0 0
- -1.0348 1.3016 -0.0550 N 0 0 0
- 1.4390 0.7992 -0.0317 C 0 0 0
- 1.8192 -1.5528 0.0694 C 0 0 0
- -3.4909 0.8698 -0.0402 C 0 0 0
- -4.0003 -1.4640 0.0557 C 0 0 0
- 2.3110 -0.2570 0.0128 C 0 0 0
- 1.9448 2.2175 -0.0904 C 0 0 0
- -4.4178 -0.1236 -0.0007 C 0 0 0
- -3.9247 2.3117 -0.1008 C 0 0 0
- 3.7714 -0.0160 0.0039 N 0 3 0
- 4.4406 -0.3662 -0.9517 O 0 0 0
- 4.3040 0.5324 0.9521 O 0 5 0
- -2.3909 -2.7517 0.0000 H 0 0 0
- 2.4790 -2.3412 0.0000 H 0 0 0
- -4.6993 -2.2179 0.0000 H 0 0 0
- 2.9132 1.8722 0.0000 H 0 0 0
- 2.2901 3.1859 0.0000 H 0 0 0
- 0.9764 2.5628 0.0000 H 0 0 0
- -5.4201 0.1052 0.0000 H 0 0 0
- -2.9402 2.6079 0.0000 H 0 0 0
- -4.2209 3.2962 0.0000 H 0 0 0
- -4.9092 2.0155 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 16 17 2 0
- 16 18 1 0
- 5 7 2 0
- 9 12 1 0
- 11 14 1 0
- 6 19 1 0
- 9 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-557-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.8149 0.3259 -0.3724 C 0 0 0
- -0.3968 1.1538 0.0603 C 0 0 0
- 2.0644 0.9080 0.2366 C 0 0 0
- -1.6463 0.5717 -0.5487 C 0 0 0
- 3.0323 0.1167 0.6279 C 0 0 0
- -2.6318 0.1358 0.2386 C 0 0 0
- 3.7206 -0.7811 -0.3677 C 0 0 0
- -3.8445 -0.4292 -0.3524 C 0 0 0
- 5.2024 -0.9018 -0.0063 C 0 0 0
- -4.7404 -0.8255 0.3633 O 0 0 0
- 0.1108 -0.3889 0.0000 H 0 0 0
- 1.3934 -0.4940 0.0000 H 0 0 0
- 0.3073 1.8686 0.0000 H 0 0 0
- -0.9753 1.9737 0.0000 H 0 0 0
- 2.1892 1.9036 0.0000 H 0 0 0
- -1.2315 -0.3419 0.0000 H 0 0 0
- 3.7528 0.8150 0.0000 H 0 0 0
- -3.0466 1.0494 0.0000 H 0 0 0
- 2.7999 -1.1801 0.0000 H 0 0 0
- 3.8843 -1.7711 0.0000 H 0 0 0
- -3.4297 -1.3428 0.0000 H 0 0 0
- 5.1209 -1.9019 0.0000 H 0 0 0
- 6.2025 -0.9833 0.0000 H 0 0 0
- 5.2839 0.0983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 4 6 2 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 2 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28289-54-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.3125 -0.0098 0.0289 C 0 0 0
- -1.1654 -0.0029 0.0032 C 0 0 0
- 1.0389 1.1285 0.6939 C 0 0 0
- 0.9586 -1.0145 -0.5259 C 0 0 0
- -1.8812 -1.0418 0.5989 C 0 0 0
- -1.8506 1.0457 -0.6120 C 0 0 0
- 2.4973 0.7280 0.9324 C 0 0 0
- 2.4569 -1.1056 -0.5433 C 0 0 0
- -3.2609 -1.0292 0.5718 C 0 0 0
- -3.2300 1.0464 -0.6321 C 0 0 0
- 3.0580 0.2160 -0.3266 N 0 0 0
- -3.9340 0.0104 -0.0441 C 0 0 0
- 4.4907 -0.0072 -0.0907 C 0 0 0
- 1.4072 2.0836 0.0000 H 0 0 0
- 0.1253 1.5903 0.0000 H 0 0 0
- 0.4411 -1.8977 0.0000 H 0 0 0
- -1.4092 -1.9502 0.0000 H 0 0 0
- -1.3632 1.9459 0.0000 H 0 0 0
- 3.4125 1.1866 0.0000 H 0 0 0
- 2.3969 1.7467 0.0000 H 0 0 0
- 2.2708 -2.1122 0.0000 H 0 0 0
- 3.4334 -1.4128 0.0000 H 0 0 0
- -3.7541 -1.9262 0.0000 H 0 0 0
- -3.7088 1.9512 0.0000 H 0 0 0
- -4.9576 0.0218 0.0000 H 0 0 0
- 4.3331 -1.0186 0.0000 H 0 0 0
- 5.5021 -0.1648 0.0000 H 0 0 0
- 4.6483 1.0042 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 11 13 1 0
- 8 11 1 0
- 10 12 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63041-76-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.6025 -0.2039 -0.0012 C 0 0 0
- -1.9860 0.0475 -0.0010 C 0 0 0
- 0.3035 0.8717 0.0003 C 0 0 0
- -0.1153 -1.5840 0.0030 C 0 0 0
- -2.4495 1.3834 0.0002 C 0 0 0
- -2.9022 -1.0277 -0.0026 C 0 0 0
- 1.7347 0.5754 0.0000 C 0 0 0
- -0.1819 2.1929 0.0025 C 0 0 0
- 1.2473 -1.8315 0.0024 C 0 0 0
- -1.0903 -2.6753 0.0075 C 0 0 0
- -1.5152 2.4433 0.0008 C 0 0 0
- -3.8291 1.6217 0.0005 C 0 0 0
- -2.4135 -2.4043 -0.0039 C 0 0 0
- -4.2702 -0.7474 -0.0023 C 0 0 0
- 2.1709 -0.7734 -0.0017 C 0 0 0
- 2.6808 1.6077 0.0010 C 0 0 0
- -4.7130 0.5629 -0.0006 C 0 0 0
- 3.5541 -1.0427 -0.0024 C 0 0 0
- 4.0108 1.3092 0.0003 C 0 0 0
- 4.4447 -0.0142 -0.0014 C 0 0 0
- 5.9221 -0.3113 -0.0016 C 0 0 0
- 0.4993 2.9980 0.0000 H 0 0 0
- 1.5958 -2.8269 0.0000 H 0 0 0
- -0.7587 -3.6764 0.0000 H 0 0 0
- -1.8583 3.4406 0.0000 H 0 0 0
- -4.1928 2.6116 0.0000 H 0 0 0
- -3.1056 -3.2001 0.0000 H 0 0 0
- -4.9684 -1.5378 0.0000 H 0 0 0
- 2.3650 2.6139 0.0000 H 0 0 0
- -5.7496 0.7567 0.0000 H 0 0 0
- 3.8983 -2.0396 0.0000 H 0 0 0
- 4.7199 2.0899 0.0000 H 0 0 0
- 5.7142 -1.3452 0.0000 H 0 0 0
- 6.9560 -0.5192 0.0000 H 0 0 0
- 6.1300 0.7226 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 20 21 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 2 0
- 19 20 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61421-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.5745 0.0017 -0.7248 C 0 0 0
- 1.2005 -1.2069 -0.3586 C 0 0 0
- 1.2070 1.2060 -0.3570 C 0 0 0
- -0.6132 0.0054 -1.4239 N 0 0 0
- 2.4266 -1.1688 0.3564 C 0 0 0
- 0.6279 -2.4459 -0.6909 C 0 0 0
- 2.4328 1.1603 0.3579 C 0 0 0
- 0.6409 2.4489 -0.6877 C 0 0 0
- -1.8306 0.0053 -0.7347 C 0 0 0
- 2.9882 -0.0057 0.6834 N 0 0 0
- 3.0420 -2.3847 0.7164 C 0 0 0
- 1.2538 -3.5977 -0.3244 C 0 0 0
- 3.0549 2.3729 0.7196 C 0 0 0
- 1.2728 3.5965 -0.3197 C 0 0 0
- -3.0277 0.0091 -1.4388 C 0 0 0
- -1.8429 -0.0043 0.6545 C 0 0 0
- 2.4584 -3.5648 0.3771 C 0 0 0
- 2.4776 3.5562 0.3819 C 0 0 0
- -4.2290 0.0090 -0.7575 C 0 0 0
- -3.0447 -0.0044 1.3338 C 0 0 0
- -4.2402 0.0052 0.6295 C 0 0 0
- -5.4235 0.0051 1.2994 O 0 0 0
- -0.6118 0.9254 0.0000 H 0 0 0
- -0.2916 -2.4757 0.0000 H 0 0 0
- -0.2785 2.4838 0.0000 H 0 0 0
- 3.9620 -2.3804 0.0000 H 0 0 0
- 0.7944 -4.3948 0.0000 H 0 0 0
- 3.9749 2.3636 0.0000 H 0 0 0
- 0.8180 4.3963 0.0000 H 0 0 0
- -3.0263 0.9291 0.0000 H 0 0 0
- -1.5436 -0.8743 0.0000 H 0 0 0
- 2.9544 -4.3397 0.0000 H 0 0 0
- 2.9781 4.3282 0.0000 H 0 0 0
- -4.3788 0.9167 0.0000 H 0 0 0
- -3.0484 -0.9244 0.0000 H 0 0 0
- -6.3435 0.0050 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 9 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 21 22 1 0
- 7 10 2 0
- 12 17 2 0
- 14 18 1 0
- 20 21 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- -1.3007 -0.1721 0.0000 C 0 0 0
- -0.0409 -0.9336 0.0000 C 0 0 0
- -2.2728 0.4156 0.0000 N 0 0 0
- 1.3528 0.2103 0.0000 Cl 0 0 0
- -0.7152 -1.8078 0.0000 H 0 0 0
- 0.7515 -1.7024 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 3 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16664-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.2975 -0.3314 -0.0023 C 0 0 0
- -1.1672 -0.3882 -0.0014 C 0 0 0
- 0.9276 0.9334 -0.0007 C 0 0 0
- 1.0743 -1.4915 0.0011 C 0 0 0
- -1.8933 0.8241 0.0010 C 0 0 0
- -1.8519 -1.6049 -0.0025 C 0 0 0
- 0.1440 2.1109 0.0021 C 0 0 0
- 2.3282 0.9993 -0.0015 C 0 0 0
- 2.4365 -1.3939 0.0007 C 0 0 0
- -1.2032 2.0587 0.0020 C 0 0 0
- -3.2948 0.7814 0.0018 C 0 0 0
- -3.2177 -1.6130 -0.0012 C 0 0 0
- 3.0601 -0.1517 -0.0038 C 0 0 0
- 3.0223 2.3369 -0.0004 C 0 0 0
- 3.2731 -2.6473 0.0049 C 0 0 0
- -3.9354 -0.4228 0.0003 C 0 0 0
- 0.6135 -2.4343 0.0000 H 0 0 0
- -1.3195 -2.5092 0.0000 H 0 0 0
- 0.6215 3.0453 0.0000 H 0 0 0
- -1.7516 2.9534 0.0000 H 0 0 0
- -3.8488 1.6726 0.0000 H 0 0 0
- -3.7310 -2.5283 0.0000 H 0 0 0
- 4.1081 -0.0987 0.0000 H 0 0 0
- 3.9537 1.8536 0.0000 H 0 0 0
- 3.5056 3.2683 0.0000 H 0 0 0
- 2.0909 2.8202 0.0000 H 0 0 0
- 2.4003 -3.2299 0.0000 H 0 0 0
- 3.8557 -3.5201 0.0000 H 0 0 0
- 4.1459 -2.0647 0.0000 H 0 0 0
- -4.9844 -0.4510 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 7 10 2 0
- 9 13 1 0
- 12 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98931-07-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 0.9870 0.2693 0.3790 C 0 0 0
- -0.0013 1.2581 0.4129 C 0 0 0
- 2.3692 0.4886 0.3848 C 0 0 0
- 0.7518 -1.1739 0.3219 C 0 0 0
- -1.4165 0.7715 0.4164 C 0 0 2
- 0.4565 2.5363 0.4436 C 0 0 0
- 2.9353 -0.7501 0.3520 N 0 0 0
- 2.8064 1.8116 0.4189 C 0 0 0
- -0.6713 -1.6749 0.2783 C 0 0 0
- 1.9535 -1.7290 0.3125 C 0 0 0
- -1.5316 -0.5601 -0.3302 C 0 0 1
- -2.3451 1.7973 -0.2326 C 0 0 0
- 1.8266 2.7949 0.4460 C 0 0 0
- 4.3769 -1.0111 0.3566 C 0 0 0
- -2.9398 -0.9711 -0.3503 N 0 0 0
- -3.7924 1.3082 -0.1290 C 0 0 2
- 4.8835 -1.0573 -1.0619 C 0 0 0
- -3.9376 -0.0241 -0.8699 C 0 0 0
- -3.3121 -2.1938 0.0997 C 0 0 0
- -4.7271 2.3448 -0.7558 C 0 0 0
- 5.8032 -0.2121 -1.4568 C 0 0 0
- -3.6243 -3.2189 0.4769 N 0 0 0
- -2.4032 0.4393 0.0000 H 0 0 0
- -0.2195 3.3281 0.0000 H 0 0 0
- 3.8195 2.0512 0.0000 H 0 0 0
- -1.5583 -2.2200 0.0000 H 0 0 0
- -0.2234 -2.6147 0.0000 H 0 0 0
- 2.1354 -2.7541 0.0000 H 0 0 0
- -0.5327 -0.2669 0.0000 H 0 0 0
- -1.4853 2.3844 0.0000 H 0 0 0
- -2.8096 2.7290 0.0000 H 0 0 0
- 2.1346 3.7894 0.0000 H 0 0 0
- 3.7277 -1.8250 0.0000 H 0 0 0
- 4.7855 -1.9687 0.0000 H 0 0 0
- -4.7830 0.9880 0.0000 H 0 0 0
- 5.2170 -2.0435 0.0000 H 0 0 0
- -4.9240 0.3088 0.0000 H 0 0 0
- -4.4750 -0.9158 0.0000 H 0 0 0
- -3.9539 3.0420 0.0000 H 0 0 0
- -5.4243 3.1180 0.0000 H 0 0 0
- -5.5003 1.6476 0.0000 H 0 0 0
- 6.7966 -0.5237 0.0000 H 0 0 0
- 5.5764 0.8040 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 2 0
- 19 22 3 0
- 7 10 1 0
- 8 13 1 0
- 9 11 1 0
- 16 18 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13177-29-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.1431 0.8486 0.0014 C 0 0 0
- 0.1405 -0.6111 -0.0005 C 0 0 0
- 1.5320 1.2976 0.0000 C 0 0 0
- -0.8994 1.6088 -0.0009 C 0 0 0
- 1.5597 -1.0042 -0.0002 C 0 0 0
- -1.0356 -1.1984 -0.0011 C 0 0 0
- 2.3403 0.0666 -0.0001 C 0 0 0
- 1.7316 2.5969 -0.0003 C 0 0 0
- -2.2164 0.9533 -0.0056 C 0 0 0
- -0.6781 3.0631 0.0001 C 0 0 0
- 2.1707 -2.3487 -0.0001 C 0 0 0
- -2.2591 -0.3699 0.0016 C 0 0 0
- 3.8073 -0.1037 0.0003 C 0 0 0
- 0.5686 3.5085 0.0012 C 0 0 0
- 3.4757 -2.4924 0.0002 C 0 0 0
- -3.4662 -0.9855 0.0010 N 0 3 0
- 4.3434 -1.3022 0.0008 C 0 0 0
- -4.4880 -0.3226 0.0032 O 0 0 0
- -3.5294 -2.2019 -0.0016 O 0 5 0
- -1.1053 -2.2516 0.0000 H 0 0 0
- 2.7131 2.9853 0.0000 H 0 0 0
- -3.1047 1.5234 0.0000 H 0 0 0
- -1.4926 3.7344 0.0000 H 0 0 0
- 1.5514 -3.2035 0.0000 H 0 0 0
- 4.4316 0.7474 0.0000 H 0 0 0
- 0.7376 4.5504 0.0000 H 0 0 0
- 3.9018 -3.4581 0.0000 H 0 0 0
- 5.3931 -1.4125 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 16 18 2 0
- 16 19 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 2 0
- 15 17 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75590-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 2.7282 -0.1028 -0.1768 C 0 0 0
- 1.2227 -0.0683 -0.1201 C 0 0 0
- 3.4867 1.1561 0.2485 C 0 0 0
- 3.4431 -0.0209 1.0578 O 0 0 0
- 3.3311 -0.9544 -1.2958 C 0 0 0
- 0.5133 -1.2297 0.1234 C 0 0 0
- 0.5513 1.1254 -0.3059 C 0 0 0
- -0.8675 -1.1981 0.1754 C 0 0 0
- -0.8299 1.1571 -0.2539 C 0 0 0
- -1.5394 -0.0050 -0.0162 C 0 0 0
- -3.0181 0.0288 0.0395 N 0 3 0
- -3.6100 1.0799 -0.1292 O 0 0 0
- -3.6430 -0.9944 0.2541 O 0 5 0
- 4.4594 1.4764 0.0000 H 0 0 0
- 2.8481 1.9567 0.0000 H 0 0 0
- 2.4953 -1.5461 0.0000 H 0 0 0
- 3.9228 -1.7902 0.0000 H 0 0 0
- 4.1669 -0.3627 0.0000 H 0 0 0
- 1.0041 -2.1285 0.0000 H 0 0 0
- 1.0784 2.0034 0.0000 H 0 0 0
- -1.3944 -2.0762 0.0000 H 0 0 0
- -1.3207 2.0559 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 11 12 2 0
- 11 13 1 0
- 3 4 1 0
- 9 10 2 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2923-68-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.0975 -0.2547 -0.0870 C 0 0 0
- -1.1411 0.5764 0.2538 C 0 0 0
- 1.3570 0.5349 0.2753 C 0 0 0
- 0.0639 -1.7952 0.8492 Cl 0 0 0
- 0.1045 -0.5412 -1.4563 F 0 0 0
- -2.4006 -0.2132 -0.1084 C 0 0 0
- -1.1481 0.8629 1.6232 F 0 0 0
- -1.1150 1.7717 -0.4726 F 0 0 0
- 2.5920 -0.2180 -0.2236 C 0 0 0
- 1.3055 1.7968 -0.3265 F 0 0 0
- 1.4308 0.6834 1.6644 F 0 0 0
- -3.6391 0.6179 0.2324 C 0 0 0
- -2.3916 -0.5824 -1.8732 Cl 0 0 0
- -2.4267 -1.4085 0.6180 F 0 0 0
- 3.8354 0.6496 -0.0187 C 0 0 0
- 2.7727 -1.7554 0.7009 Cl 0 0 0
- 2.4439 -0.5068 -1.5844 F 0 0 0
- -4.8745 -0.2279 0.0605 C 0 0 0
- -3.5556 1.0573 1.5580 F 0 0 0
- -3.7084 1.7236 -0.6219 F 0 0 0
- 5.2908 -0.2377 -0.6065 Cl 0 0 0
- 3.6952 1.8424 -0.7360 F 0 0 0
- 3.9835 0.9384 1.3422 F 0 0 0
- -5.5477 -0.5163 1.0215 O 0 0 0
- -5.2269 -0.6608 -1.1601 O 0 0 0
- -5.7943 -1.3578 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 2 1 0
- 8 2 1 0
- 9 3 1 0
- 10 3 1 0
- 11 3 1 0
- 12 6 1 0
- 13 6 1 0
- 14 6 1 0
- 15 9 1 0
- 16 9 1 0
- 17 9 1 0
- 18 12 1 0
- 19 12 1 0
- 20 12 1 0
- 21 15 1 0
- 22 15 1 0
- 23 15 1 0
- 24 18 2 0
- 25 18 1 0
- 25 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5332-73-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.6272 -0.3954 0.0000 C 0 0 0
- -0.6754 0.4072 0.0000 C 0 0 0
- 1.8181 0.5652 0.0000 C 0 0 0
- -1.7877 -0.4900 0.0000 O 0 0 0
- 3.0687 -0.2054 0.0000 N 0 0 0
- -2.9680 0.3155 0.0000 C 0 0 0
- -0.0530 -1.2620 0.0000 H 0 0 0
- 1.4114 -1.1692 0.0000 H 0 0 0
- 0.0048 1.2738 0.0000 H 0 0 0
- -1.4596 1.1810 0.0000 H 0 0 0
- 2.4984 1.4318 0.0000 H 0 0 0
- 1.0339 1.3390 0.0000 H 0 0 0
- 3.0372 -1.3067 0.0000 H 0 0 0
- 4.0382 0.3179 0.0000 H 0 0 0
- -2.3470 1.2255 0.0000 H 0 0 0
- -3.8780 0.9365 0.0000 H 0 0 0
- -3.5890 -0.5945 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102408-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.1865 -0.2215 -0.0021 C 0 0 0
- -1.2568 -0.4403 -0.0010 C 0 0 0
- 0.6639 1.0926 -0.0008 C 0 0 0
- 1.2557 -1.0406 0.0011 N 0 0 0
- -2.1213 0.6811 0.0014 C 0 0 0
- -1.8064 -1.7287 -0.0027 C 0 0 0
- 2.0459 0.9980 -0.0023 N 0 0 0
- -0.2275 2.1668 0.0016 C 0 0 0
- 2.3577 -0.3295 -0.0020 C 0 0 0
- -1.5716 1.9772 0.0026 C 0 0 0
- -3.4451 0.4956 0.0020 N 0 0 0
- -3.1699 -1.8496 -0.0019 C 0 0 0
- 2.9943 2.1146 -0.0017 C 0 0 0
- 3.6369 -0.8456 -0.0001 N 0 0 0
- -3.9656 -0.7086 0.0005 C 0 0 0
- 3.8415 -2.2963 0.0052 C 0 0 0
- -1.1947 -2.5712 0.0000 H 0 0 0
- 0.1480 3.1378 0.0000 H 0 0 0
- -2.2057 2.8029 0.0000 H 0 0 0
- -3.6102 -2.7930 0.0000 H 0 0 0
- 3.7878 1.4406 0.0000 H 0 0 0
- 3.6683 2.9081 0.0000 H 0 0 0
- 2.2008 2.7886 0.0000 H 0 0 0
- 4.4570 -0.2042 0.0000 H 0 0 0
- -5.0015 -0.8130 0.0000 H 0 0 0
- 2.8106 -2.4417 0.0000 H 0 0 0
- 3.9869 -3.3272 0.0000 H 0 0 0
- 4.8724 -2.1509 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 14 16 1 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5131-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.0851 0.9511 0.0017 C 0 0 0
- -0.6939 -0.2988 0.0001 C 0 0 0
- 1.2993 1.0466 0.0019 C 0 0 0
- -0.8663 2.1097 -0.0026 N 0 0 0
- 0.0786 -1.4452 -0.0014 C 0 0 0
- -2.4257 -0.4200 0.0005 Cl 0 0 0
- 2.0715 -0.1063 0.0004 C 0 0 0
- 1.4571 -1.3527 -0.0012 C 0 0 0
- 3.4658 -0.0140 0.0000 N 0 0 0
- 1.7581 1.9824 0.0000 H 0 0 0
- -0.4093 3.0463 0.0000 H 0 0 0
- -1.9060 2.0372 0.0000 H 0 0 0
- -0.3798 -2.3812 0.0000 H 0 0 0
- 2.0369 -2.2188 0.0000 H 0 0 0
- 4.0454 -0.8802 0.0000 H 0 0 0
- 3.9261 0.9210 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-84-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -1.2251 0.7850 0.2065 C 0 0 0
- -1.3622 -0.5910 0.0711 C 0 0 0
- 0.0001 1.3705 0.5254 N 0 0 0
- -2.3282 1.6101 0.0162 C 0 0 0
- 0.0000 -1.6795 0.2926 S 0 0 0
- -2.6056 -1.1278 -0.2492 C 0 0 0
- 1.2249 0.7853 0.2048 C 0 0 0
- -3.5575 1.0679 -0.3072 C 0 0 0
- 1.3619 -0.5912 0.0692 C 0 0 0
- -3.6971 -0.3014 -0.4332 C 0 0 0
- 2.3285 1.6098 0.0178 C 0 0 0
- 2.6047 -1.1279 -0.2520 C 0 0 0
- 3.5591 1.0671 -0.3017 C 0 0 0
- 3.6965 -0.3013 -0.4363 C 0 0 0
- 0.0001 2.3998 0.0000 H 0 0 0
- -2.2117 2.6327 0.0000 H 0 0 0
- -2.7291 -2.1496 0.0000 H 0 0 0
- -4.3901 1.6730 0.0000 H 0 0 0
- -4.6408 -0.7122 0.0000 H 0 0 0
- 2.2123 2.6325 0.0000 H 0 0 0
- 2.7281 -2.1497 0.0000 H 0 0 0
- 4.3921 1.6716 0.0000 H 0 0 0
- 4.6399 -0.7128 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 7 9 1 0
- 8 10 1 0
- 13 14 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107027-12-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 47 1 V2000
- 0.7177 1.4996 0.0347 C 0 0 0
- -0.6992 1.5568 -0.0099 C 0 0 0
- 1.4517 2.7087 0.1059 C 0 0 0
- 1.3571 0.3313 0.0050 N 0 0 0
- -1.3308 2.7918 0.0171 C 0 0 0
- -1.4923 0.3166 -0.0848 C 0 0 0
- 2.8596 2.6543 0.1504 C 0 0 0
- 0.7715 3.9365 0.1307 C 0 0 0
- 2.6757 0.2699 0.0462 C 0 0 0
- -0.5912 3.9651 0.0872 C 0 0 0
- -2.8380 0.3788 -0.1269 N 0 0 0
- -0.9324 -0.7627 -0.1086 O 0 0 0
- 3.4603 1.4306 0.1227 C 0 0 0
- 3.3413 -1.0542 0.0105 C 0 0 0
- -3.6262 -0.8539 -0.2013 C 0 0 0
- 4.5091 -1.2306 -0.7300 C 0 0 0
- 2.8049 -2.1266 0.7222 C 0 0 0
- -5.1156 -0.5054 -0.2369 C 0 0 0
- 5.1247 -2.4656 -0.7590 C 0 0 0
- 3.4290 -3.3566 0.6857 C 0 0 0
- -5.9060 -1.7414 -0.3115 N 0 0 0
- 4.5850 -3.5270 -0.0553 C 0 0 0
- -5.6978 -2.4528 0.9567 C 0 0 0
- -7.3182 -1.3381 -0.3424 C 0 0 0
- -2.3673 2.8383 0.0000 H 0 0 0
- 3.4252 3.5242 0.0000 H 0 0 0
- 1.3076 4.8249 0.0000 H 0 0 0
- -1.0829 4.8788 0.0000 H 0 0 0
- -3.3152 1.3002 0.0000 H 0 0 0
- 4.4954 1.3590 0.0000 H 0 0 0
- -3.9750 -1.8311 0.0000 H 0 0 0
- -2.6946 -1.3107 0.0000 H 0 0 0
- 5.1197 -0.3917 0.0000 H 0 0 0
- 1.7673 -2.1296 0.0000 H 0 0 0
- -4.7668 0.4718 0.0000 H 0 0 0
- -6.0472 -0.0486 0.0000 H 0 0 0
- 6.1623 -2.4697 0.0000 H 0 0 0
- 2.8229 -4.1988 0.0000 H 0 0 0
- 5.0614 -4.4488 0.0000 H 0 0 0
- -6.6936 -2.7442 0.0000 H 0 0 0
- -5.4064 -3.4486 0.0000 H 0 0 0
- -4.7020 -2.1614 0.0000 H 0 0 0
- -7.0333 -0.3404 0.0000 H 0 0 0
- -8.3159 -1.0532 0.0000 H 0 0 0
- -7.6031 -2.3358 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 1 0
- 21 24 1 0
- 8 10 2 0
- 9 13 1 0
- 20 22 1 0
- 5 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
- 24 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-607-30-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.2548 0.2990 -0.0019 C 0 0 0
- -1.1280 -0.8166 -0.0012 C 0 0 0
- 1.1403 0.0849 -0.0008 C 0 0 0
- -0.7925 1.5955 0.0021 C 0 0 0
- -0.5911 -2.1151 0.0012 C 0 0 0
- -2.5174 -0.6029 -0.0023 C 0 0 0
- 1.6269 -1.2053 0.0011 C 0 0 0
- 2.0176 1.1670 -0.0020 N 0 0 0
- -2.1435 1.7649 0.0066 C 0 0 0
- 0.7590 -2.2928 0.0027 C 0 0 0
- -3.0034 0.6684 -0.0040 C 0 0 0
- 3.4161 0.9448 -0.0008 O 0 0 0
- -0.1590 2.4267 0.0000 H 0 0 0
- -1.2276 -2.9440 0.0000 H 0 0 0
- -3.1738 -1.4161 0.0000 H 0 0 0
- 2.6592 -1.3681 0.0000 H 0 0 0
- 1.6436 2.1429 0.0000 H 0 0 0
- -2.5413 2.7313 0.0000 H 0 0 0
- 1.1497 -3.2621 0.0000 H 0 0 0
- -4.0368 0.8245 0.0000 H 0 0 0
- 4.4483 0.7808 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 7 10 2 0
- 9 11 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105360-93-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.2603 0.0507 -0.0019 C 0 0 0
- -1.0398 0.0141 -0.0015 C 0 0 0
- 0.9746 1.3433 -0.0005 C 0 0 0
- 1.0608 -1.1880 0.0025 C 0 0 0
- -1.8146 1.2693 0.0003 C 0 0 0
- -1.7491 -1.2780 -0.0023 C 0 0 0
- 2.4473 1.2635 -0.0005 C 0 0 0
- 0.2944 2.4599 0.0010 C 0 0 0
- 2.3302 -1.0946 0.0029 N 0 0 0
- 0.3578 -2.4820 0.0067 C 0 0 0
- -1.1856 2.4207 0.0014 C 0 0 0
- -3.2837 1.1585 0.0013 C 0 0 0
- -0.9623 -2.5227 -0.0048 C 0 0 0
- -3.0612 -1.2799 -0.0014 C 0 0 0
- 3.0057 0.0695 -0.0017 C 0 0 0
- -3.8398 -0.0345 0.0005 C 0 0 0
- 4.3664 0.0094 -0.0020 O 0 0 0
- 3.0412 2.1434 0.0000 H 0 0 0
- 0.8020 3.3922 0.0000 H 0 0 0
- 0.9144 -3.3859 0.0000 H 0 0 0
- -1.7392 3.3264 0.0000 H 0 0 0
- -3.8874 2.0317 0.0000 H 0 0 0
- -1.4601 -3.4603 0.0000 H 0 0 0
- -3.5751 -2.2088 0.0000 H 0 0 0
- -4.8994 -0.0995 0.0000 H 0 0 0
- 5.4269 -0.0374 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 12 16 2 0
- 15 17 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117022-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 45 1 V2000
- -1.1539 -0.1812 0.0823 C 0 0 0
- -1.9725 -1.3552 0.5207 C 0 0 1
- 0.2319 -0.2930 -0.1156 C 0 0 0
- -1.7516 1.0201 -0.1790 C 0 0 0
- -3.3998 -1.0871 0.9601 C 0 0 2
- -3.0872 -1.6213 -0.3266 O 0 0 0
- 1.0049 0.8971 -0.1283 C 0 0 0
- 0.9019 -1.5071 -0.3803 C 0 0 0
- -3.2482 1.1503 -0.1878 C 0 0 2
- -0.9888 2.1699 -0.3784 C 0 0 0
- -3.8678 0.3509 0.9412 C 0 0 1
- 2.4582 0.8028 0.0195 C 0 0 0
- 0.3709 2.1273 -0.3033 C 0 0 0
- 2.2474 -1.6073 -0.2669 C 0 0 0
- 0.1696 -2.7233 -0.8861 C 0 0 0
- -3.7724 0.7290 -1.4457 O 0 0 0
- -5.2931 0.3954 0.8450 O 0 0 0
- 3.0547 -0.4783 -0.0087 C 0 0 0
- 3.2581 1.9343 0.1868 C 0 0 0
- 4.4361 -0.5949 0.1927 C 0 0 0
- 4.6063 1.7899 0.3523 C 0 0 0
- 5.1910 0.5289 0.3633 C 0 0 0
- 5.0864 -1.9539 0.2211 C 0 0 0
- -1.3869 -2.2147 0.0000 H 0 0 0
- -4.3486 -1.5131 0.0000 H 0 0 0
- -3.5507 2.1454 0.0000 H 0 0 0
- -1.4662 3.0939 0.0000 H 0 0 0
- -4.3109 1.2918 0.0000 H 0 0 0
- 0.9261 3.0067 0.0000 H 0 0 0
- 2.6884 -2.5492 0.0000 H 0 0 0
- -0.7214 -2.1868 0.0000 H 0 0 0
- -0.3669 -3.6143 0.0000 H 0 0 0
- 1.0606 -3.2598 0.0000 H 0 0 0
- -4.5831 0.0775 0.0000 H 0 0 0
- -6.3326 0.4279 0.0000 H 0 0 0
- 2.8299 2.8821 0.0000 H 0 0 0
- 5.2120 2.6353 0.0000 H 0 0 0
- 6.2278 0.4472 0.0000 H 0 0 0
- 4.1482 -2.4028 0.0000 H 0 0 0
- 5.5353 -2.8921 0.0000 H 0 0 0
- 6.0246 -1.5050 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 2 0
- 12 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 20 23 1 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 18 1 0
- 21 22 1 0
- 2 24 1 0
- 5 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 19 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7177-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- -1.6248 -2.2618 -0.5468 N 0 0 0
- -2.6131 -1.5922 -1.4044 C 0 0 1
- -0.5245 -1.4481 -0.0497 C 0 0 2
- -2.6162 -2.5939 0.3141 C 0 0 0
- -3.6913 -1.7697 -0.3424 C 0 0 1
- -2.0364 0.1498 -1.4565 S 0 0 0
- -0.3308 -0.1211 -0.8142 C 0 0 0
- 0.7526 -2.2467 -0.0980 C 0 0 0
- -2.6326 -3.3155 1.2887 O 0 0 0
- -3.8626 -0.5148 0.3940 N 0 0 0
- 0.0899 1.0059 0.1312 C 0 0 0
- 0.6729 -0.2827 -1.9576 C 0 0 0
- 1.6972 -2.0590 0.8370 O 0 0 0
- 0.9262 -3.0559 -0.9783 O 0 0 0
- -5.0640 -0.1989 0.9168 C 0 0 0
- -5.2402 1.0919 1.6743 C 0 0 1
- -6.0033 -0.9534 0.7776 O 0 0 0
- -5.6507 2.1829 0.7191 C 0 0 0
- -6.2797 0.9208 2.6981 N 0 0 0
- -4.8586 3.3057 0.5709 C 0 0 0
- -6.8168 2.0579 -0.0130 C 0 0 0
- -5.2352 4.3066 -0.3054 C 0 0 0
- -7.1933 3.0585 -0.8891 C 0 0 0
- -6.4039 4.1843 -1.0332 C 0 0 0
- 11.9328 0.0154 0.2270 O 0 0 0
- 20.5501 0.8753 0.2837 O 0 0 0
- 29.1674 1.7352 0.3403 O 0 0 0
- -2.8059 -2.4701 0.0000 H 0 0 0
- -1.2956 -0.9864 0.0000 H 0 0 0
- -4.4685 -2.2211 0.0000 H 0 0 0
- -3.1897 0.0810 0.0000 H 0 0 0
- 0.9319 0.6916 0.0000 H 0 0 0
- 0.4042 1.8479 0.0000 H 0 0 0
- -0.7521 1.3202 0.0000 H 0 0 0
- 0.5300 -1.1700 0.0000 H 0 0 0
- 1.5602 -0.4256 0.0000 H 0 0 0
- 0.8158 0.6046 0.0000 H 0 0 0
- 2.5787 -1.8838 0.0000 H 0 0 0
- -4.3689 1.3123 0.0000 H 0 0 0
- -6.8495 1.6158 0.0000 H 0 0 0
- -6.5967 0.0798 0.0000 H 0 0 0
- -3.9671 3.1916 0.0000 H 0 0 0
- -7.2882 1.2926 0.0000 H 0 0 0
- -4.7629 5.0713 0.0000 H 0 0 0
- -8.0850 3.1713 0.0000 H 0 0 0
- -6.8596 4.9590 0.0000 H 0 0 0
- 11.0340 0.0154 0.0000 H 0 0 0
- 12.8316 0.0154 0.0000 H 0 0 0
- 19.6513 0.8753 0.0000 H 0 0 0
- 21.4489 0.8753 0.0000 H 0 0 0
- 28.2686 1.7352 0.0000 H 0 0 0
- 30.0662 1.7352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 2 0
- 10 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 1 0
- 16 19 1 0
- 18 20 2 0
- 18 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 4 5 1 0
- 6 7 1 0
- 23 24 1 0
- 2 28 1 0
- 3 29 1 0
- 5 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 16 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 25 47 1 0
- 25 48 1 0
- 26 49 1 0
- 26 50 1 0
- 27 51 1 0
- 27 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26227-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 1.0100 0.1887 -0.3199 C 0 0 0
- -0.3407 0.3680 -0.1915 N 0 0 0
- 1.7939 1.1731 -0.9254 C 0 0 0
- 1.6117 -0.9773 0.1593 C 0 0 0
- -1.1384 -0.6630 -0.1955 C 0 0 0
- 3.1548 0.9857 -1.0516 C 0 0 0
- 2.9734 -1.1514 0.0264 C 0 0 0
- -2.5900 -0.4703 -0.0575 C 0 0 0
- 3.7433 -0.1742 -0.5799 C 0 0 0
- -3.4484 -1.5754 -0.0615 C 0 0 0
- -3.1166 0.8180 0.0841 C 0 0 0
- 5.2306 -0.3717 -0.7214 C 0 0 0
- -4.8064 -1.3898 0.0685 C 0 0 0
- -4.4764 0.9932 0.2135 C 0 0 0
- 5.9391 0.1875 0.5141 C 0 0 0
- -5.3252 -0.1072 0.2036 C 0 0 0
- 7.4491 -0.0130 0.3705 C 0 0 0
- -6.6650 0.0707 0.3310 O 0 0 0
- 8.1576 0.5461 1.6059 C 0 0 0
- -6.8855 1.4776 0.4493 C 0 0 0
- 1.4118 2.1277 0.0000 H 0 0 0
- 1.0220 -1.8197 0.0000 H 0 0 0
- -0.7473 -1.6140 0.0000 H 0 0 0
- 3.7515 1.8232 0.0000 H 0 0 0
- 3.3626 -2.1032 0.0000 H 0 0 0
- -3.0601 -2.5275 0.0000 H 0 0 0
- -2.4898 1.6332 0.0000 H 0 0 0
- 4.8407 -1.3232 0.0000 H 0 0 0
- 6.0518 -0.9905 0.0000 H 0 0 0
- -5.4378 -2.2014 0.0000 H 0 0 0
- -4.8700 1.9432 0.0000 H 0 0 0
- 6.3290 1.1390 0.0000 H 0 0 0
- 5.1179 0.8063 0.0000 H 0 0 0
- 7.0592 -0.9645 0.0000 H 0 0 0
- 8.2703 -0.6319 0.0000 H 0 0 0
- 8.7946 -0.2611 0.0000 H 0 0 0
- 8.9648 1.1831 0.0000 H 0 0 0
- 7.5206 1.3533 0.0000 H 0 0 0
- -5.8696 1.6368 0.0000 H 0 0 0
- -7.0447 2.4935 0.0000 H 0 0 0
- -7.9014 1.3184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 7 9 1 0
- 14 16 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-594-70-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.7285 0.0000 0.0000 C 0 0 0
- -0.7365 0.0000 0.0000 N 0 3 0
- 1.2386 -0.7212 1.2492 C 0 0 0
- 1.2385 -0.7212 -1.2493 C 0 0 0
- 1.2385 1.4425 0.0000 C 0 0 0
- -1.3455 -1.0548 0.0000 O 0 0 0
- -1.3455 1.0548 0.0000 O 0 5 0
- 0.4928 -1.2487 0.0000 H 0 0 0
- 1.7661 -1.4670 0.0000 H 0 0 0
- 1.9844 -0.1937 0.0000 H 0 0 0
- 0.4927 -1.2486 0.0000 H 0 0 0
- 1.7659 -1.4670 0.0000 H 0 0 0
- 1.9843 -0.1938 0.0000 H 0 0 0
- 2.0997 1.1380 0.0000 H 0 0 0
- 1.5430 2.3037 0.0000 H 0 0 0
- 0.3773 1.7470 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 2 0
- 7 2 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57333-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 76 1 V2000
- 0.8912 -1.7730 -0.0606 C 0 0 1
- -0.1741 -1.7610 1.0721 C 0 0 2
- 2.1603 -1.3326 0.6524 C 0 0 2
- 0.8664 -3.1460 -0.6902 C 0 0 0
- 0.5164 -0.7337 -1.1190 C 0 0 0
- -1.4964 -1.8816 0.3749 C 0 0 0
- 0.1235 -0.4199 1.7466 C 0 0 0
- 1.6777 -0.3960 1.7909 C 0 0 0
- 3.0742 -0.5718 -0.3103 C 0 0 1
- -0.4737 -3.2920 -1.4307 C 0 0 0
- -2.4568 -0.9661 0.5019 C 0 0 0
- -1.6635 -3.1246 -0.4876 C 0 0 0
- 4.2187 0.0723 0.4747 C 0 0 0
- 3.6480 -1.5433 -1.3438 C 0 0 0
- -3.7291 -1.1367 -0.2034 C 0 0 0
- 5.1326 0.8331 -0.4881 C 0 0 0
- -4.7011 -0.2102 -0.0750 C 0 0 0
- 6.2771 1.4772 0.2968 C 0 0 2
- -4.9180 0.5141 1.1948 C 0 0 0
- -5.6194 0.1430 -1.2279 C 0 0 0
- 7.1910 2.2380 -0.6659 C 0 0 0
- 7.0283 0.4610 0.9639 O 0 0 0
- -5.1748 2.0045 1.0955 C 0 0 2
- -4.8896 -0.1132 2.3706 C 0 0 0
- -5.7084 1.6695 -1.3238 C 0 0 2
- 8.3354 2.8822 0.1191 C 0 0 0
- 7.7648 1.2666 -1.6993 C 0 0 0
- -6.2156 2.2428 -0.0032 C 0 0 0
- -3.9607 2.6811 0.7635 O 0 0 0
- -6.6104 2.0277 -2.3727 O 0 0 0
- -0.1365 -2.7045 0.0000 H 0 0 0
- 2.6246 -2.1547 0.0000 H 0 0 0
- 0.9290 -4.0881 0.0000 H 0 0 0
- 1.8103 -3.1232 0.0000 H 0 0 0
- 1.4046 -0.4134 0.0000 H 0 0 0
- 0.1961 0.1545 0.0000 H 0 0 0
- -0.3718 -1.0540 0.0000 H 0 0 0
- 0.1825 0.5225 0.0000 H 0 0 0
- -0.8114 -0.2877 0.0000 H 0 0 0
- 2.5733 -0.0969 0.0000 H 0 0 0
- 1.5190 0.5348 0.0000 H 0 0 0
- 2.5384 0.2057 0.0000 H 0 0 0
- -0.9916 -4.0815 0.0000 H 0 0 0
- 0.0193 -4.0973 0.0000 H 0 0 0
- -2.1651 -0.0681 0.0000 H 0 0 0
- -2.5990 -2.9969 0.0000 H 0 0 0
- -1.7931 -4.0599 0.0000 H 0 0 0
- 4.2655 -0.8708 0.0000 H 0 0 0
- 5.0833 -0.3071 0.0000 H 0 0 0
- 2.8350 -2.0235 0.0000 H 0 0 0
- 4.1282 -2.3563 0.0000 H 0 0 0
- 4.4610 -1.0631 0.0000 H 0 0 0
- -4.0208 -2.0347 0.0000 H 0 0 0
- 5.0858 1.7762 0.0000 H 0 0 0
- 4.2680 1.2125 0.0000 H 0 0 0
- 5.7413 2.2547 0.0000 H 0 0 0
- -6.5603 0.2218 0.0000 H 0 0 0
- -5.8304 -0.7773 0.0000 H 0 0 0
- 6.6552 3.0154 0.0000 H 0 0 0
- 7.5896 -0.2983 0.0000 H 0 0 0
- -5.3081 2.9392 0.0000 H 0 0 0
- -5.6851 -0.6218 0.0000 H 0 0 0
- -4.0514 -0.5478 0.0000 H 0 0 0
- -4.8355 2.0296 0.0000 H 0 0 0
- 8.7986 2.0594 0.0000 H 0 0 0
- 9.1582 3.3454 0.0000 H 0 0 0
- 7.8722 3.7050 0.0000 H 0 0 0
- 6.9518 0.7864 0.0000 H 0 0 0
- 8.2450 0.4536 0.0000 H 0 0 0
- 8.5778 1.7468 0.0000 H 0 0 0
- -6.3018 3.1831 0.0000 H 0 0 0
- -7.0824 1.8683 0.0000 H 0 0 0
- -3.1359 3.1407 0.0000 H 0 0 0
- -7.4879 2.3762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 2 0
- 6 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 18 22 1 0
- 19 23 1 0
- 19 24 2 0
- 20 25 1 0
- 21 26 1 0
- 21 27 1 0
- 23 28 1 0
- 23 29 1 0
- 25 30 1 0
- 7 8 1 0
- 10 12 1 0
- 25 28 1 0
- 2 31 1 0
- 3 32 1 0
- 4 33 1 0
- 4 34 1 0
- 5 35 1 0
- 5 36 1 0
- 5 37 1 0
- 7 38 1 0
- 7 39 1 0
- 8 40 1 0
- 8 41 1 0
- 9 42 1 0
- 10 43 1 0
- 10 44 1 0
- 11 45 1 0
- 12 46 1 0
- 12 47 1 0
- 13 48 1 0
- 13 49 1 0
- 14 50 1 0
- 14 51 1 0
- 14 52 1 0
- 15 53 1 0
- 16 54 1 0
- 16 55 1 0
- 18 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 22 60 1 0
- 23 61 1 0
- 24 62 1 0
- 24 63 1 0
- 25 64 1 0
- 26 65 1 0
- 26 66 1 0
- 26 67 1 0
- 27 68 1 0
- 27 69 1 0
- 27 70 1 0
- 28 71 1 0
- 28 72 1 0
- 29 73 1 0
- 30 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97467-07-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -8.6337 -0.3536 0.0479 Cl 0 0 0
- -9.5853 0.6224 0.0820 O 0 0 0
- -7.6506 -0.0615 0.9465 O 0 0 0
- -9.2002 -1.5520 0.3675 O 0 0 0
- -7.9981 -0.4364 -1.4399 O 0 0 0
- 5.6928 0.0643 -0.1026 C 0 0 0
- 4.6654 1.1181 -0.0658 C 0 0 0
- 6.8998 0.1412 0.7983 C 0 0 0
- 5.5650 -0.9884 -0.9401 C 0 0 0
- 3.3443 0.8001 0.2629 C 0 0 0
- 5.0072 2.4432 -0.3539 C 0 0 0
- 7.3139 -1.2685 1.2186 C 0 0 0
- 6.6049 -2.0175 -0.9517 C 0 0 0
- 2.3876 1.7929 0.2957 C 0 0 0
- 4.0395 3.4246 -0.3169 C 0 0 0
- 7.4161 -2.1384 0.0489 N 0 3 0
- 2.7325 3.1010 0.0043 C 0 0 0
- 8.4543 -3.1713 0.0113 C 0 0 0
- 7.8940 0.3549 0.0000 H 0 0 0
- 6.7603 1.1484 0.0000 H 0 0 0
- 4.6046 -1.3226 0.0000 H 0 0 0
- 3.0595 -0.1761 0.0000 H 0 0 0
- 5.9891 2.7075 0.0000 H 0 0 0
- 8.2690 -1.6176 0.0000 H 0 0 0
- 8.0558 -0.5731 0.0000 H 0 0 0
- 6.1498 -2.9268 0.0000 H 0 0 0
- 1.4035 1.5369 0.0000 H 0 0 0
- 4.3155 4.4033 0.0000 H 0 0 0
- 2.0189 3.8254 0.0000 H 0 0 0
- 7.7371 -3.8922 0.0000 H 0 0 0
- 9.1752 -3.8885 0.0000 H 0 0 0
- 9.1715 -2.4504 0.0000 H 0 0 0
- -6.9898 -0.5678 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 2 0
- 1 4 2 0
- 1 5 1 0
- 6 7 1 0
- 6 8 1 0
- 6 9 2 0
- 7 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 2 0
- 16 18 1 0
- 13 16 2 0
- 15 17 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 5 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 0.7537 -0.3345 0.1465 C 0 0 0
- -0.5800 -0.0810 0.5001 N 0 0 0
- 1.7543 -0.4011 1.1228 C 0 0 0
- 1.1125 -0.5309 -1.1785 C 0 0 0
- -0.9991 1.1062 -0.2568 C 0 0 0
- -1.3732 -1.2078 -0.0088 C 0 0 0
- 3.0035 -0.6429 0.7474 N 0 0 0
- 1.4515 -0.2209 2.4323 O 0 0 0
- 2.3826 -0.7681 -1.4754 N 0 0 0
- -0.6500 2.3667 0.5371 C 0 0 0
- -2.8466 -0.9949 0.3441 C 0 0 0
- 3.3040 -0.8190 -0.5292 C 0 0 0
- -1.1644 3.8237 -0.3920 Cl 0 0 0
- -3.8201 -2.3780 -0.2806 Cl 0 0 0
- 4.5916 -1.0638 -0.8755 O 0 0 0
- 0.7868 -1.4436 0.0000 H 0 0 0
- -1.8040 1.6458 0.0000 H 0 0 0
- -1.7648 0.5122 0.0000 H 0 0 0
- -1.6597 -2.1335 0.0000 H 0 0 0
- -0.5035 -1.6352 0.0000 H 0 0 0
- 0.6188 0.2747 0.0000 H 0 0 0
- 0.1549 1.8271 0.0000 H 0 0 0
- 0.1157 2.9607 0.0000 H 0 0 0
- -2.5601 -0.0692 0.0000 H 0 0 0
- -3.7163 -0.5676 0.0000 H 0 0 0
- 5.5436 -1.2448 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 9 12 2 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2444-36-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.1379 -0.3279 -1.0379 C 0 0 0
- -2.1078 -0.5158 0.1001 C 0 0 0
- 0.2707 -0.5021 -0.5314 C 0 0 0
- -1.6973 -0.7655 1.2087 O 0 0 0
- -3.4277 -0.4057 -0.1178 O 0 0 0
- 0.9750 0.5896 -0.0564 C 0 0 0
- 0.8572 -1.7539 -0.5361 C 0 0 0
- 0.2365 2.1607 -0.0435 Cl 0 0 0
- 2.2681 0.4288 0.4090 C 0 0 0
- 2.1489 -1.9139 -0.0712 C 0 0 0
- 2.8553 -0.8222 0.3989 C 0 0 0
- -0.6339 0.5094 0.0000 H 0 0 0
- -1.6979 0.4730 0.0000 H 0 0 0
- -4.4016 -0.3245 0.0000 H 0 0 0
- 0.2831 -2.5448 0.0000 H 0 0 0
- 2.8422 1.2197 0.0000 H 0 0 0
- 2.5622 -2.7995 0.0000 H 0 0 0
- 3.8304 -0.8883 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 10 11 1 0
- 1 12 1 0
- 1 13 1 0
- 5 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6088-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.6484 -2.5531 -0.7938 S 0 0 0
- -0.6484 -2.5531 0.7939 S 0 0 0
- 1.7922 -1.3260 -0.2546 C 0 0 0
- -1.7923 -1.3262 0.2545 C 0 0 0
- 2.8686 -0.9973 -1.0529 C 0 0 0
- 1.5967 -0.6889 0.9787 C 0 0 0
- -2.8687 -0.9976 1.0528 C 0 0 0
- -1.5969 -0.6892 -0.9788 C 0 0 0
- 3.7776 -0.0189 -0.6194 C 0 0 0
- 2.4630 0.2605 1.4184 C 0 0 0
- -3.7776 -0.0190 0.6194 C 0 0 0
- -2.4631 0.2604 -1.4184 C 0 0 0
- 3.5743 0.6154 0.6321 C 0 0 0
- 4.8866 0.3420 -1.4056 C 0 0 0
- -3.5741 0.6156 -0.6320 C 0 0 0
- -4.8867 0.3419 1.4055 C 0 0 0
- 4.4848 1.5940 1.0639 C 0 0 0
- 5.7498 1.2931 -0.9582 C 0 0 0
- -4.4845 1.5943 -1.0638 C 0 0 0
- -5.7498 1.2931 0.9582 C 0 0 0
- 5.5508 1.9206 0.2752 C 0 0 0
- -5.5506 1.9208 -0.2751 C 0 0 0
- 6.4303 2.8682 0.6951 O 0 0 0
- -6.4302 2.8682 -0.6951 O 0 0 0
- 3.3328 -1.7389 0.0000 H 0 0 0
- 0.7430 -0.4971 0.0000 H 0 0 0
- -3.3329 -1.7392 0.0000 H 0 0 0
- -0.7432 -0.4975 0.0000 H 0 0 0
- 1.9908 0.9971 0.0000 H 0 0 0
- -1.9907 0.9968 0.0000 H 0 0 0
- 5.3618 -0.3926 0.0000 H 0 0 0
- -5.3620 -0.3927 0.0000 H 0 0 0
- 4.0205 2.3356 0.0000 H 0 0 0
- 6.6046 1.1065 0.0000 H 0 0 0
- -4.0202 2.3359 0.0000 H 0 0 0
- -6.6046 1.1066 0.0000 H 0 0 0
- 7.0255 3.5095 0.0000 H 0 0 0
- -7.0255 3.5094 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 2 0
- 14 9 1 0
- 15 11 2 0
- 16 11 1 0
- 17 13 1 0
- 18 14 2 0
- 19 15 1 0
- 20 16 2 0
- 21 17 2 0
- 22 19 2 0
- 23 21 1 0
- 24 22 1 0
- 10 13 1 0
- 12 15 1 0
- 18 21 1 0
- 20 22 1 0
- 5 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 10 29 1 0
- 12 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-326-61-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -1.9992 0.6374 0.1077 C 0 0 0
- -2.3596 -0.7020 -0.0169 C 0 0 0
- -0.6853 1.0204 -0.1082 C 0 0 0
- -3.1093 1.3588 0.4400 O 0 0 0
- -1.4025 -1.6445 -0.3562 C 0 0 0
- -3.6945 -0.8206 0.2424 O 0 0 0
- 0.2643 0.0746 -0.4465 C 0 0 0
- -4.2286 0.5123 0.1177 C 0 0 0
- -0.0935 -1.2551 -0.5703 C 0 0 0
- 1.6928 0.4938 -0.6808 C 0 0 0
- 2.5593 -0.1927 0.2606 O 0 0 0
- 3.8832 0.0272 0.2375 C 0 0 0
- 4.7825 -0.6853 1.2146 C 0 0 0
- 4.3539 0.7964 -0.5666 O 0 0 0
- -0.4362 1.9966 0.0000 H 0 0 0
- -1.6462 -2.6220 0.0000 H 0 0 0
- -4.7626 1.3666 0.0000 H 0 0 0
- -5.1268 0.0561 0.0000 H 0 0 0
- 0.6282 -1.9580 0.0000 H 0 0 0
- 2.4661 1.1395 0.0000 H 0 0 0
- 1.2182 1.3824 0.0000 H 0 0 0
- 4.1569 -1.4749 0.0000 H 0 0 0
- 5.5721 -1.3109 0.0000 H 0 0 0
- 5.4081 0.1043 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 8 1 0
- 7 9 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1066-33-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 8 1 V2000
- -1.8545 0.0363 -0.0242 C 0 0 0
- -2.6428 -0.9683 0.3993 O 0 0 0
- -0.7188 -0.2356 -0.6921 O 0 0 0
- -2.1708 1.1887 0.1920 O 0 0 0
- 7.9080 -0.0138 0.1359 N 0 0 0
- -3.1961 -1.6734 0.0000 H 0 0 0
- 0.1528 -0.4443 0.0000 H 0 0 0
- 7.4599 0.7624 0.0000 H 0 0 0
- 7.4599 -0.7900 0.0000 H 0 0 0
- 8.8043 -0.0138 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117760-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -2.8772 -0.2896 -0.5474 C 0 0 0
- -3.9283 0.4882 -0.0665 C 0 0 0
- -1.9123 -1.2568 0.5653 S 0 0 0
- -2.5951 -0.3045 -1.9120 C 0 0 0
- -4.6812 1.2435 -0.9421 C 0 0 0
- -4.2366 0.5046 1.3810 N 0 3 0
- -0.4720 -2.3219 -0.0973 S 0 0 0
- -3.3571 0.4501 -2.7797 C 0 0 0
- -4.3937 1.2294 -2.2957 C 0 0 0
- -5.1558 1.1850 1.8003 O 0 0 0
- -3.4629 -0.2706 2.2785 O 0 5 0
- 1.1025 -1.6588 -0.2083 C 0 0 0
- 1.3341 -0.3368 0.1862 C 0 0 0
- 2.4116 -2.6269 -0.8106 Cl 0 0 0
- 2.6395 0.1614 0.2290 C 0 0 0
- 0.0003 0.6850 0.6227 Cl 0 0 0
- 2.8754 1.4765 -0.0342 C 0 0 0
- 3.9600 -0.8965 0.6175 Cl 0 0 0
- 4.4616 2.1391 0.2074 Cl 0 0 0
- 1.5898 2.4904 -0.6112 Cl 0 0 0
- -1.6767 -0.7109 0.0000 H 0 0 0
- -5.5991 1.6512 0.0000 H 0 0 0
- -2.7005 1.2101 0.0000 H 0 0 0
- -4.0523 2.1739 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 2 0
- 15 18 1 0
- 17 19 1 0
- 17 20 1 0
- 8 9 1 0
- 4 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-92-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.2253 0.2006 -0.0033 C 0 0 0
- 0.0069 -0.4818 -0.0026 C 0 0 0
- 1.2363 1.5967 -0.0014 C 0 0 0
- 2.4969 -0.5513 0.0002 C 0 0 0
- -1.1765 0.2265 -0.0002 C 0 0 0
- 0.0450 2.2926 0.0011 C 0 0 0
- 3.6705 0.1100 -0.0004 O 0 0 0
- 2.4842 -1.7660 0.0036 O 0 0 0
- -1.1584 1.6103 0.0017 C 0 0 0
- -2.4689 -0.4950 0.0000 N 0 3 0
- -3.5148 0.1291 0.0022 O 0 0 0
- -2.4864 -1.7129 -0.0020 O 0 5 0
- -0.0080 -1.5178 0.0000 H 0 0 0
- 2.1370 2.1089 0.0000 H 0 0 0
- 0.0517 3.3287 0.0000 H 0 0 0
- 4.5732 0.6186 0.0000 H 0 0 0
- -2.0503 2.1377 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24777-14-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- -5.3724 -1.2591 -0.9638 O 0 0 0
- -4.5182 -2.1964 -1.6224 C 0 0 0
- -4.5638 -0.3767 -0.3180 C 0 0 0
- -3.1907 -0.5139 -0.3945 C 0 0 0
- -5.1196 0.6693 0.4161 C 0 0 0
- -2.3632 0.3943 0.2695 C 0 0 0
- -6.4701 0.8057 0.4866 O 0 0 0
- -4.2977 1.5711 1.0754 C 0 0 0
- -0.8944 0.2524 0.1906 C 0 0 0
- -2.9265 1.4366 1.0075 C 0 0 0
- -0.0388 1.2423 0.0723 N 0 0 0
- -0.2096 -0.9280 0.2349 N 0 0 0
- 1.2113 0.7534 0.0299 C 0 0 0
- 1.1291 -0.6249 0.1315 C 0 0 0
- 2.4557 1.5471 -0.0985 C 0 0 0
- 2.2543 -1.5800 0.1326 C 0 0 0
- 2.5593 2.5326 -1.0795 C 0 0 0
- 3.5262 1.3153 0.7651 C 0 0 0
- 2.3937 -2.4990 1.1752 C 0 0 0
- 3.1820 -1.5729 -0.9121 C 0 0 0
- 3.7209 3.2690 -1.1939 C 0 0 0
- 4.6823 2.0580 0.6409 C 0 0 0
- 3.4479 -3.3886 1.1697 C 0 0 0
- 4.2309 -2.4681 -0.9045 C 0 0 0
- 4.7810 3.0310 -0.3379 C 0 0 0
- 4.3660 -3.3721 0.1348 C 0 0 0
- -5.2435 -2.8574 0.0000 H 0 0 0
- -3.8572 -2.9217 0.0000 H 0 0 0
- -3.7929 -1.5354 0.0000 H 0 0 0
- -2.8394 -1.4302 0.0000 H 0 0 0
- -7.4464 0.9043 0.0000 H 0 0 0
- -4.6498 2.4871 0.0000 H 0 0 0
- -2.3834 2.2539 0.0000 H 0 0 0
- -0.6019 -1.8275 0.0000 H 0 0 0
- 1.7254 3.0499 0.0000 H 0 0 0
- 3.7008 0.3496 0.0000 H 0 0 0
- 1.5374 -2.9782 0.0000 H 0 0 0
- 3.5180 -0.6509 0.0000 H 0 0 0
- 3.5529 4.2358 0.0000 H 0 0 0
- 5.5187 1.5447 0.0000 H 0 0 0
- 3.1193 -4.3133 0.0000 H 0 0 0
- 5.0891 -1.9922 0.0000 H 0 0 0
- 5.5771 3.6047 0.0000 H 0 0 0
- 5.1151 -4.0060 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 5 2 0
- 9 6 1 0
- 10 6 2 0
- 11 9 2 0
- 12 9 1 0
- 13 11 1 0
- 14 12 1 0
- 15 13 1 0
- 16 14 1 0
- 17 15 2 0
- 18 15 1 0
- 19 16 2 0
- 20 16 1 0
- 21 17 1 0
- 22 18 2 0
- 23 19 1 0
- 24 20 2 0
- 25 21 2 0
- 26 23 2 0
- 8 10 1 0
- 13 14 2 0
- 22 25 1 0
- 24 26 1 0
- 2 27 1 0
- 2 28 1 0
- 2 29 1 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 10 33 1 0
- 12 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
- 26 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-09-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.6369 0.2682 0.0041 C 0 0 0
- -0.9013 -1.1110 0.0026 C 0 0 0
- 0.6779 0.7335 0.0030 C 0 0 0
- -1.9455 0.9481 0.0007 C 0 0 0
- -2.2780 -1.3234 0.0036 N 0 0 0
- 0.1650 -2.0008 0.0004 C 0 0 0
- 1.7224 -0.1684 0.0005 C 0 0 0
- -2.9544 -0.1618 -0.0028 C 0 0 0
- -2.1591 2.1427 0.0011 O 0 0 0
- 1.4643 -1.5292 -0.0002 C 0 0 0
- 3.1201 0.3190 -0.0012 N 0 3 0
- -4.1608 -0.0344 -0.0058 O 0 0 0
- 4.0424 -0.4765 -0.0034 O 0 0 0
- 3.3478 1.5155 -0.0002 O 0 5 0
- 0.8701 1.7544 0.0000 H 0 0 0
- -2.7254 -2.2609 0.0000 H 0 0 0
- -0.0144 -3.0240 0.0000 H 0 0 0
- 2.2554 -2.2024 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 11 13 2 0
- 11 14 1 0
- 5 8 1 0
- 7 10 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64099-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.1754 0.2741 -0.0059 C 0 0 0
- -1.1860 1.2630 -0.0122 C 0 0 0
- 1.1618 0.7280 -0.0396 C 0 0 0
- -0.7098 -1.0772 0.0412 C 0 0 0
- -2.6755 0.3040 0.0361 S 0 0 0
- -0.8890 2.6090 -0.0493 C 0 0 0
- 1.4346 2.0599 -0.0760 C 0 0 0
- 2.2720 -0.2511 -0.0348 N 0 3 0
- -1.9966 -1.2631 0.0721 N 0 0 0
- 0.1329 -2.1431 0.0525 O 0 0 0
- 0.4204 3.0100 -0.0813 C 0 0 0
- 3.2400 -0.0706 0.6821 O 0 0 0
- 2.2175 -1.2372 -0.7476 O 0 5 0
- -0.6837 -3.3148 0.1006 C 0 0 0
- -1.6549 3.3159 0.0000 H 0 0 0
- 2.4278 2.3759 0.0000 H 0 0 0
- 0.6558 4.0254 0.0000 H 0 0 0
- -1.5388 -2.7189 0.0000 H 0 0 0
- -1.2796 -4.1699 0.0000 H 0 0 0
- 0.1714 -3.9107 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 1 0
- 5 9 1 0
- 7 11 1 0
- 6 15 1 0
- 7 16 1 0
- 11 17 1 0
- 14 18 1 0
- 14 19 1 0
- 14 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112725-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.1536 0.2275 -0.0635 C 0 0 0
- -1.3231 1.1599 0.1210 C 0 0 0
- 1.2510 0.7286 0.1535 C 0 0 0
- -0.3422 -0.9224 -0.3804 O 0 0 0
- -2.5697 0.4383 -0.1465 N 0 0 0
- 2.1922 -0.3513 -0.0841 O 0 0 0
- -3.1810 -0.1707 0.8124 N 0 0 0
- -3.1221 0.4085 -1.5030 C 0 0 0
- 3.5100 -0.1348 0.0508 C 0 0 0
- -4.2174 -0.7706 0.5900 O 0 0 0
- 4.4868 -1.2555 -0.1959 C 0 0 0
- 3.9131 0.9586 0.3700 O 0 0 0
- -0.6064 1.8596 0.0000 H 0 0 0
- -1.9285 1.9578 0.0000 H 0 0 0
- 2.0821 1.2876 0.0000 H 0 0 0
- 0.7997 1.6228 0.0000 H 0 0 0
- -3.1761 1.4086 0.0000 H 0 0 0
- -4.1222 0.3545 0.0000 H 0 0 0
- -3.0681 -0.5916 0.0000 H 0 0 0
- 3.7317 -1.9136 0.0000 H 0 0 0
- 5.1449 -2.0106 0.0000 H 0 0 0
- 5.2419 -0.5974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 2 0
- 9 11 1 0
- 9 12 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-98-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -2.9758 -0.7328 0.0062 O 0 0 0
- -4.2764 0.0575 0.0148 S 0 0 0
- -1.9124 0.2216 0.0166 C 0 0 0
- -4.6296 0.2915 -1.7490 C 0 0 0
- -5.1914 -0.8481 0.6164 O 0 0 0
- -3.8999 1.2770 0.6397 O 0 0 0
- -0.5693 -0.5111 0.0086 C 0 0 0
- 0.5693 0.5108 0.0198 C 0 0 0
- 1.9124 -0.2220 0.0118 C 0 0 0
- 2.9758 0.7325 0.0222 O 0 0 0
- 4.2764 -0.0579 0.0136 S 0 0 0
- 4.6296 -0.2531 -1.7550 C 0 0 0
- 5.1914 0.8344 0.6348 O 0 0 0
- 3.8999 -1.2907 0.6115 O 0 0 0
- -1.2961 1.0983 0.0000 H 0 0 0
- -2.7138 0.9331 0.0000 H 0 0 0
- -4.0377 1.1849 0.0000 H 0 0 0
- -5.5230 0.8834 0.0000 H 0 0 0
- -5.2215 -0.6019 0.0000 H 0 0 0
- -1.1856 -1.3878 0.0000 H 0 0 0
- 0.2321 -1.2226 0.0000 H 0 0 0
- 1.1856 1.3875 0.0000 H 0 0 0
- -0.2321 1.2223 0.0000 H 0 0 0
- 1.2961 -1.0987 0.0000 H 0 0 0
- 2.7138 -0.9335 0.0000 H 0 0 0
- 4.1112 -1.1910 0.0000 H 0 0 0
- 5.5675 -0.7715 0.0000 H 0 0 0
- 5.1480 0.6848 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 2 6 2 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 11 14 2 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139953-97-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- -0.0612 -0.3220 -0.2058 C 0 0 0
- -1.2875 0.2474 0.1859 C 0 0 0
- 1.1065 0.3003 0.1036 C 0 0 0
- -2.4568 -0.3757 -0.1240 C 0 0 0
- 2.3385 -0.2718 -0.2899 C 0 0 0
- -3.6841 0.1941 0.2680 C 0 0 0
- 3.4943 0.3442 0.0163 C 0 0 0
- -4.8500 -0.4273 -0.0410 C 0 0 0
- 4.6728 -0.2031 -0.3601 O 0 0 0
- -6.1231 0.1639 0.3657 C 0 0 0
- 5.7019 0.6728 0.1044 C 0 0 0
- -7.2709 -0.4478 0.0616 C 0 0 0
- 7.0683 0.1089 -0.2907 C 0 0 0
- -8.5837 0.1619 0.4809 C 0 0 0
- 8.1702 1.0466 0.2067 C 0 0 0
- 7.2393 -1.1818 0.2985 O 0 0 0
- -9.4318 0.4494 -0.7596 C 0 0 0
- -0.0336 -1.3253 0.0000 H 0 0 0
- -1.3150 1.2507 0.0000 H 0 0 0
- 1.0790 1.3036 0.0000 H 0 0 0
- -2.4292 -1.3790 0.0000 H 0 0 0
- 2.3661 -1.2751 0.0000 H 0 0 0
- -3.7117 1.1974 0.0000 H 0 0 0
- 3.4668 1.3475 0.0000 H 0 0 0
- -4.8224 -1.4306 0.0000 H 0 0 0
- -6.1506 1.1672 0.0000 H 0 0 0
- 6.2260 1.5287 0.0000 H 0 0 0
- 4.9392 1.3251 0.0000 H 0 0 0
- -7.2434 -1.4511 0.0000 H 0 0 0
- 8.0051 -0.2512 0.0000 H 0 0 0
- -7.7838 0.7680 0.0000 H 0 0 0
- -8.7444 1.1526 0.0000 H 0 0 0
- 8.8206 0.2823 0.0000 H 0 0 0
- 8.9345 1.6970 0.0000 H 0 0 0
- 7.5198 1.8109 0.0000 H 0 0 0
- 7.3711 -2.1767 0.0000 H 0 0 0
- -9.1096 1.3999 0.0000 H 0 0 0
- -10.3823 0.7716 0.0000 H 0 0 0
- -9.7540 -0.5011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 2 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 1 18 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1467-79-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.5242 0.0000 -0.0016 N 0 0 0
- -0.8308 0.0000 -0.0004 C 0 0 0
- 1.2567 1.2687 0.0008 C 0 0 0
- 1.2567 -1.2687 0.0008 C 0 0 0
- -1.9668 0.0000 0.0006 N 0 0 0
- 2.1725 0.7399 0.0000 H 0 0 0
- 1.7855 2.1845 0.0000 H 0 0 0
- 0.3409 1.7975 0.0000 H 0 0 0
- 0.3409 -1.7975 0.0000 H 0 0 0
- 1.7855 -2.1845 0.0000 H 0 0 0
- 2.1725 -0.7399 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 3 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6422-86-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 66 1 V2000
- 1.3816 1.6950 0.1226 C 0 0 0
- 2.8553 1.6950 0.2529 C 0 0 0
- 0.6862 2.9041 0.0613 C 0 0 0
- 0.6870 0.4862 0.0552 C 0 0 0
- 3.5261 0.5285 0.3120 O 0 0 0
- 3.4601 2.7467 0.3065 O 0 0 0
- -0.6863 2.9041 -0.0600 C 0 0 0
- -0.6860 0.4862 -0.0662 C 0 0 0
- 4.9725 0.5285 0.4399 C 0 0 0
- -1.3817 1.6950 -0.1216 C 0 0 0
- 5.4805 -0.9140 0.4847 C 0 0 0
- -2.8553 1.6950 -0.2518 C 0 0 0
- 7.0045 -0.9140 0.6194 C 0 0 0
- 4.8625 -1.6353 1.6841 C 0 0 0
- -3.5262 0.5286 -0.3112 O 0 0 0
- -3.4602 2.7468 -0.3051 O 0 0 0
- 7.6239 -1.6064 -0.5963 C 0 0 0
- 4.1252 -2.8864 1.2023 C 0 0 0
- -4.9725 0.5286 -0.4390 C 0 0 0
- 9.1489 -1.5120 -0.5149 C 0 0 0
- -5.4805 -0.9139 -0.4840 C 0 0 0
- 9.7683 -2.2043 -1.7305 C 0 0 0
- -7.0046 -0.9138 -0.6187 C 0 0 0
- -4.8626 -1.6349 -1.6837 C 0 0 0
- -7.6240 -1.6065 0.5969 C 0 0 0
- -4.1253 -2.8861 -1.2023 C 0 0 0
- -9.1489 -1.5121 0.5156 C 0 0 0
- -9.7682 -2.2047 1.7311 C 0 0 0
- 1.2100 3.8096 0.0000 H 0 0 0
- 1.2110 -0.4192 0.0000 H 0 0 0
- -1.2101 3.8096 0.0000 H 0 0 0
- -1.2097 -0.4194 0.0000 H 0 0 0
- 5.9920 0.7626 0.0000 H 0 0 0
- 4.8547 1.5679 0.0000 H 0 0 0
- 5.9177 -1.8643 0.0000 H 0 0 0
- 7.9292 -0.4249 0.0000 H 0 0 0
- 6.7525 0.1013 0.0000 H 0 0 0
- 4.4576 -0.6708 0.0000 H 0 0 0
- 3.8188 -1.5647 0.0000 H 0 0 0
- 6.7095 -2.1145 0.0000 H 0 0 0
- 7.9175 -2.6104 0.0000 H 0 0 0
- 3.2240 -2.3553 0.0000 H 0 0 0
- 3.5941 -3.7876 0.0000 H 0 0 0
- 5.0264 -3.4175 0.0000 H 0 0 0
- -4.8547 1.5680 0.0000 H 0 0 0
- -5.9920 0.7627 0.0000 H 0 0 0
- 10.0633 -1.0039 0.0000 H 0 0 0
- 8.8553 -0.5080 0.0000 H 0 0 0
- -5.9177 -1.8642 0.0000 H 0 0 0
- 8.9887 -2.9018 0.0000 H 0 0 0
- 10.4658 -2.9839 0.0000 H 0 0 0
- 10.5479 -1.5068 0.0000 H 0 0 0
- -6.7527 0.1015 0.0000 H 0 0 0
- -7.9293 -0.4248 0.0000 H 0 0 0
- -3.8189 -1.5643 0.0000 H 0 0 0
- -4.4578 -0.6703 0.0000 H 0 0 0
- -7.9175 -2.6105 0.0000 H 0 0 0
- -6.7095 -2.1144 0.0000 H 0 0 0
- -5.0265 -3.4172 0.0000 H 0 0 0
- -3.5942 -3.7873 0.0000 H 0 0 0
- -3.2241 -2.3550 0.0000 H 0 0 0
- -8.8554 -0.5081 0.0000 H 0 0 0
- -10.0634 -1.0042 0.0000 H 0 0 0
- -10.5480 -1.5074 0.0000 H 0 0 0
- -10.4655 -2.9845 0.0000 H 0 0 0
- -8.9884 -2.9020 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 8 10 2 0
- 3 29 1 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 11 35 1 0
- 13 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 21 49 1 0
- 22 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 26 59 1 0
- 26 60 1 0
- 26 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103554-58-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.4774 0.0254 -0.5057 N 0 0 0
- 1.0606 -1.2172 -0.3202 C 0 0 0
- 1.1936 1.1976 -0.3275 C 0 0 0
- -0.8172 0.0956 -0.8739 C 0 0 0
- 2.2928 -1.3326 0.3443 C 0 0 0
- 0.4318 -2.3657 -0.7899 C 0 0 0
- 2.4308 1.1811 0.3376 C 0 0 0
- 0.6951 2.4052 -0.8052 C 0 0 0
- -1.7827 0.1519 0.0647 N 0 0 0
- -1.1139 0.1082 -2.0526 O 0 0 0
- 2.9576 -0.1072 0.8302 C 0 0 0
- 2.8726 -2.5873 0.5343 C 0 0 0
- 1.0167 -3.5991 -0.5977 C 0 0 0
- 3.1445 2.3657 0.5209 C 0 0 0
- 1.4117 3.5681 -0.6198 C 0 0 0
- -3.1899 0.2282 -0.3356 C 0 0 0
- 3.8974 -0.1567 1.6023 O 0 0 0
- 2.2316 -3.7117 0.0626 C 0 0 0
- 2.6312 3.5508 0.0415 C 0 0 0
- -4.0730 0.2809 0.9127 C 0 0 0
- -5.4840 0.3574 0.5113 N 0 0 0
- -5.8057 -0.9165 -0.1457 C 0 0 0
- -6.2732 0.4049 1.7494 C 0 0 0
- -0.5476 -2.3372 0.0000 H 0 0 0
- -0.2816 2.4839 0.0000 H 0 0 0
- -1.7277 1.1302 0.0000 H 0 0 0
- 3.8515 -2.6291 0.0000 H 0 0 0
- 0.4552 -4.4021 0.0000 H 0 0 0
- 4.1222 2.3003 0.0000 H 0 0 0
- 0.9401 4.4270 0.0000 H 0 0 0
- -3.7280 -0.5906 0.0000 H 0 0 0
- -2.7482 -0.6464 0.0000 H 0 0 0
- 2.6842 -4.5808 0.0000 H 0 0 0
- 3.1748 4.3660 0.0000 H 0 0 0
- -3.5349 1.0997 0.0000 H 0 0 0
- -4.5147 1.1555 0.0000 H 0 0 0
- -6.7557 -0.6766 0.0000 H 0 0 0
- -6.0456 -1.8665 0.0000 H 0 0 0
- -4.8557 -1.1564 0.0000 H 0 0 0
- -6.2143 1.3830 0.0000 H 0 0 0
- -7.2513 0.4638 0.0000 H 0 0 0
- -6.3321 -0.5732 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 2 0
- 12 18 2 0
- 14 19 2 0
- 16 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 7 11 1 0
- 13 18 1 0
- 15 19 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-35-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6747 -1.2065 -0.0035 C 0 0 0
- -0.7073 -1.1877 -0.0026 C 0 0 0
- 1.3822 -0.0187 -0.0024 C 0 0 0
- 1.3973 -2.4983 0.0005 N 0 3 0
- -1.3822 0.0189 -0.0005 C 0 0 0
- 0.7075 1.1876 -0.0003 C 0 0 0
- 2.6152 -2.5149 -0.0003 O 0 0 0
- 0.7740 -3.5448 0.0045 O 0 5 0
- -0.6749 1.2064 0.0006 C 0 0 0
- -2.8623 0.0391 -0.0001 N 0 3 0
- 1.4650 2.4593 0.0004 N 0 3 0
- -3.4569 1.1021 0.0018 O 0 0 0
- -3.4856 -1.0074 -0.0015 O 0 5 0
- 0.8704 3.5223 0.0023 O 0 0 0
- 2.6829 2.4427 -0.0008 O 0 5 0
- -1.2378 -2.0783 0.0000 H 0 0 0
- 2.4187 -0.0328 0.0000 H 0 0 0
- -1.1810 2.1111 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 2 0
- 11 15 1 0
- 6 9 1 0
- 2 16 1 0
- 3 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 1.1243 -0.0976 -0.0017 C 0 0 0
- 0.0000 -0.8196 -0.0013 O 0 0 0
- 0.7712 1.3739 -0.0006 C 0 0 0
- 2.2453 -0.5482 0.0017 O 0 0 0
- -1.1243 -0.0976 0.0001 C 0 0 0
- -0.7712 1.3739 0.0007 C 0 0 0
- -2.2453 -0.5482 0.0007 O 0 0 0
- 1.7610 1.5306 0.0000 H 0 0 0
- 0.6926 2.3729 0.0000 H 0 0 0
- -0.6926 2.3729 0.0000 H 0 0 0
- -1.7610 1.5306 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 5 6 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1571-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 2.1197 0.1975 0.0026 C 0 0 0
- 2.7866 -0.9727 0.0038 O 0 0 0
- 2.7327 1.2458 -0.0031 O 0 0 0
- 0.6401 0.2056 0.0020 C 0 0 0
- 4.2386 -0.9807 -0.0017 C 0 0 0
- -0.0507 1.4187 0.0007 C 0 0 0
- -0.0643 -1.0000 -0.0031 C 0 0 0
- -1.4286 1.4274 0.0002 C 0 0 0
- -1.4417 -0.9935 -0.0037 C 0 0 0
- -2.1346 0.2210 0.0008 C 0 0 0
- -3.6087 0.2291 0.0002 C 0 0 0
- -4.2206 -0.8173 0.0008 O 0 0 0
- 4.2328 -2.0278 0.0000 H 0 0 0
- 5.2857 -0.9865 0.0000 H 0 0 0
- 4.2444 0.0664 0.0000 H 0 0 0
- 0.4784 2.3223 0.0000 H 0 0 0
- 0.4548 -1.9094 0.0000 H 0 0 0
- -1.9466 2.3374 0.0000 H 0 0 0
- -1.9697 -1.8977 0.0000 H 0 0 0
- -4.1272 1.1388 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 11 10 1 0
- 12 11 2 0
- 9 10 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3160-37-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -2.0240 0.6468 0.0639 C 0 0 0
- -2.3341 -0.7147 0.0485 C 0 0 0
- -0.7055 1.0547 0.0527 C 0 0 0
- -3.1893 1.3581 0.0835 O 0 0 0
- -1.3170 -1.6610 0.0216 C 0 0 0
- -3.6907 -0.8513 0.0643 O 0 0 0
- 0.3199 0.1009 0.0257 C 0 0 0
- -4.2107 0.4327 -0.3328 C 0 0 0
- 0.0007 -1.2629 0.0103 C 0 0 0
- 1.7238 0.5289 0.0140 C 0 0 0
- 2.7143 -0.3962 -0.0122 C 0 0 0
- 4.0609 0.0143 -0.0234 C 0 0 0
- 5.1620 -1.0142 -0.0525 C 0 0 0
- 4.3352 1.1975 -0.0096 O 0 0 0
- -0.4741 2.0676 0.0000 H 0 0 0
- -1.5518 -2.6731 0.0000 H 0 0 0
- -4.8135 1.2789 0.0000 H 0 0 0
- -5.1215 -0.0671 0.0000 H 0 0 0
- 0.7583 -1.9739 0.0000 H 0 0 0
- 1.9583 1.5411 0.0000 H 0 0 0
- 2.4798 -1.4084 0.0000 H 0 0 0
- 4.4528 -1.7735 0.0000 H 0 0 0
- 5.9213 -1.7234 0.0000 H 0 0 0
- 5.8712 -0.2549 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 6 8 1 0
- 7 9 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-540-51-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 1.8068 0.4882 0.0000 C 0 0 0
- 0.8119 -0.6742 0.0000 C 0 0 0
- 3.1400 -0.0260 0.0000 O 0 0 0
- -1.0224 0.0332 0.0000 Br 0 0 0
- 2.3381 1.5053 0.0000 H 0 0 0
- 0.8562 1.1311 0.0000 H 0 0 0
- 0.2806 -1.6913 0.0000 H 0 0 0
- 1.7625 -1.3170 0.0000 H 0 0 0
- 4.2107 -0.4389 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-27-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -1.3215 -0.2534 0.0753 C 0 0 0
- -2.4798 0.6023 0.0156 C 0 0 0
- 0.0410 0.3003 0.1296 C 0 0 0
- -1.5469 -1.6144 0.0851 C 0 0 0
- -3.6847 0.0009 -0.0307 C 0 0 0
- 1.1031 -0.5276 0.1848 N 0 0 0
- 0.2085 1.5051 0.1247 O 0 0 0
- -3.2732 -1.7314 0.0157 S 0 0 0
- -5.0244 0.6273 -0.0959 N 0 3 0
- 2.3993 -0.0085 0.1033 C 0 0 0
- -6.0219 -0.0706 -0.1322 O 0 0 0
- -5.1291 1.8407 -0.1132 O 0 5 0
- 3.4877 -0.8664 0.0245 C 0 0 0
- 2.5987 1.3661 0.0954 C 0 0 0
- 4.7705 -0.3483 -0.0565 C 0 0 0
- 3.8791 1.8787 0.0144 C 0 0 0
- 4.9641 1.0263 -0.0588 C 0 0 0
- 5.8383 -1.1854 -0.1334 O 0 0 0
- 7.0042 -0.3622 -0.2044 C 0 0 0
- -2.3899 1.6369 0.0000 H 0 0 0
- -0.8488 -2.3833 0.0000 H 0 0 0
- 0.9576 -1.5559 0.0000 H 0 0 0
- 3.3409 -1.8945 0.0000 H 0 0 0
- 1.7828 2.0086 0.0000 H 0 0 0
- 4.0266 2.9067 0.0000 H 0 0 0
- 5.9276 1.4139 0.0000 H 0 0 0
- 7.6032 -1.2105 0.0000 H 0 0 0
- 7.8525 0.2368 0.0000 H 0 0 0
- 6.4052 0.4861 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 18 19 1 0
- 5 8 1 0
- 16 17 2 0
- 2 20 1 0
- 4 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 17 26 1 0
- 19 27 1 0
- 19 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-555-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -2.2246 0.3166 -0.0018 N 0 3 0
- -3.1445 -0.4818 -0.0026 O 0 5 0
- -2.4561 1.5124 0.0040 O 0 0 0
- -0.8256 -0.1663 -0.0019 C 0 0 0
- 0.2171 0.7395 -0.0010 C 0 0 0
- -0.5634 -1.5241 0.0030 C 0 0 0
- 1.5284 0.2862 -0.0010 C 0 0 0
- 0.7422 -1.9784 0.0030 C 0 0 0
- 2.5561 1.1755 0.0002 O 0 0 0
- 1.7888 -1.0763 -0.0019 C 0 0 0
- 3.7636 0.4113 -0.0002 C 0 0 0
- 0.0201 1.7574 0.0000 H 0 0 0
- -1.3474 -2.2025 0.0000 H 0 0 0
- 0.9362 -2.9969 0.0000 H 0 0 0
- 2.7679 -1.4174 0.0000 H 0 0 0
- 3.2092 -0.4648 0.0000 H 0 0 0
- 4.6397 -0.1431 0.0000 H 0 0 0
- 4.3180 1.2874 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 1 0
- 10 7 2 0
- 11 9 1 0
- 8 10 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-26-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7550 0.4369 0.0074 C 0 0 0
- -1.1428 -0.8959 -0.0415 C 0 0 0
- 0.5868 0.7636 0.0344 C 0 0 0
- -1.7785 1.5061 0.0245 N 0 3 0
- -0.1788 -1.8962 -0.0632 C 0 0 0
- -2.4987 -1.2298 -0.0694 N 0 0 0
- 1.5435 -0.2344 0.0127 C 0 0 0
- -1.6250 2.5069 -0.6526 O 0 0 0
- -2.7740 1.3852 0.7157 O 0 5 0
- 1.1608 -1.5626 -0.0360 C 0 0 0
- -2.8784 -2.5411 -0.1175 N 0 0 0
- 2.9805 0.1195 0.0417 N 0 3 0
- 3.8244 -0.7586 0.0227 O 0 0 0
- 3.3190 1.2887 0.0847 O 0 5 0
- 0.8770 1.7583 0.0000 H 0 0 0
- -0.4651 -2.8921 0.0000 H 0 0 0
- -3.2165 -0.4824 0.0000 H 0 0 0
- 1.8800 -2.3086 0.0000 H 0 0 0
- -3.8845 -2.7892 0.0000 H 0 0 0
- -2.1605 -3.2884 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2648-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.7964 -0.7907 0.0000 C 0 0 0
- -0.3614 -0.1111 0.0000 C 0 0 0
- 2.0249 -0.0931 0.0000 C 0 0 0
- -0.3489 1.6248 0.0000 Cl 0 0 0
- -1.8710 -0.9683 0.0000 Cl 0 0 0
- 3.0719 -0.7077 0.0000 O 0 0 0
- 0.7888 -1.8502 0.0000 H 0 0 0
- 2.0325 0.9664 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 1 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130796-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 63 1 V2000
- 4.3108 -0.1150 -0.1417 N 0 0 0
- 3.2639 0.7460 -0.3542 C 0 0 0
- 5.7351 0.2057 -0.2625 C 0 0 2
- 3.7826 -1.3220 0.2081 C 0 0 0
- 2.0960 0.0004 -0.1221 C 0 0 0
- 3.1559 2.0241 -0.7028 N 0 0 0
- 6.4684 -0.9863 -0.6194 O 0 0 0
- 6.2906 0.6114 1.1207 C 0 0 1
- 2.4832 -1.2512 0.2223 N 0 0 0
- 0.8564 0.6458 -0.2708 C 0 0 0
- 1.9730 2.5871 -0.8298 C 0 0 0
- 7.8286 -0.7348 -0.2043 C 0 0 1
- 7.6996 -0.0215 1.1598 C 0 0 1
- 6.4056 2.0342 1.1891 O 0 0 0
- 0.8479 1.9271 -0.6230 N 0 0 0
- -0.3278 -0.0371 -0.0551 N 0 0 0
- 8.5589 -2.0661 -0.0166 C 0 0 0
- 8.6832 1.0109 1.2524 O 0 0 0
- -1.6105 0.6524 -0.2150 C 0 0 0
- 8.5994 -2.7668 -1.2614 O 0 0 0
- -2.7531 -0.3215 0.0799 C 0 0 1
- -4.0927 0.3985 -0.0870 C 0 0 0
- -2.6874 -1.4221 -0.8291 O 0 0 0
- -5.1599 -0.5111 0.1884 O 0 0 0
- -6.3172 0.1806 0.0250 C 0 0 0
- -7.5590 -0.4553 0.2291 C 0 0 0
- -6.2860 1.4988 -0.3329 C 0 0 0
- -8.7543 0.2846 0.0533 C 0 0 0
- -7.6337 -1.8067 0.6025 C 0 0 0
- -7.4636 2.2217 -0.5044 C 0 0 0
- -8.6794 1.6375 -0.3206 C 0 0 0
- -9.9925 -0.3485 0.2565 C 0 0 0
- -8.8505 -2.3875 0.7904 C 0 0 0
- -10.0267 -1.6601 0.6185 C 0 0 0
- 5.3131 1.1353 0.0000 H 0 0 0
- 4.3179 -2.1913 0.0000 H 0 0 0
- 5.3998 1.1101 0.0000 H 0 0 0
- 1.9290 3.6071 0.0000 H 0 0 0
- 8.7910 -0.3940 0.0000 H 0 0 0
- 8.6776 -0.3146 0.0000 H 0 0 0
- 6.4879 3.0518 0.0000 H 0 0 0
- -0.3126 -1.0579 0.0000 H 0 0 0
- 9.5287 -2.3852 0.0000 H 0 0 0
- 9.2115 -1.2810 0.0000 H 0 0 0
- 9.3874 1.7501 0.0000 H 0 0 0
- -1.0197 1.4850 0.0000 H 0 0 0
- -2.3637 1.3416 0.0000 H 0 0 0
- 8.6583 -3.7860 0.0000 H 0 0 0
- -1.8138 -0.7216 0.0000 H 0 0 0
- -3.5019 1.2311 0.0000 H 0 0 0
- -4.8459 1.0877 0.0000 H 0 0 0
- -2.6266 -2.4412 0.0000 H 0 0 0
- -5.3892 1.9867 0.0000 H 0 0 0
- -6.7856 -2.3750 0.0000 H 0 0 0
- -7.4112 3.2413 0.0000 H 0 0 0
- -9.5283 2.2047 0.0000 H 0 0 0
- -10.8563 0.1956 0.0000 H 0 0 0
- -8.9059 -3.4069 0.0000 H 0 0 0
- -10.9249 -2.1455 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 2 0
- 26 28 2 0
- 26 29 1 0
- 27 30 1 0
- 28 31 1 0
- 28 32 1 0
- 29 33 2 0
- 32 34 2 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 30 31 2 0
- 33 34 1 0
- 3 35 1 0
- 4 36 1 0
- 8 37 1 0
- 11 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 16 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 20 48 1 0
- 21 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 27 53 1 0
- 29 54 1 0
- 30 55 1 0
- 31 56 1 0
- 32 57 1 0
- 33 58 1 0
- 34 59 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-491-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.0913 1.1150 -0.0044 C 0 0 0
- -0.9149 -0.3398 -0.0028 C 0 0 0
- 0.0205 1.9571 -0.0038 C 0 0 0
- -2.4013 1.6394 -0.0005 C 0 0 0
- 0.3703 -0.8924 -0.0007 C 0 0 0
- -2.0633 -1.1637 -0.0029 C 0 0 0
- 1.3025 1.4088 -0.0017 C 0 0 0
- -3.4647 0.7934 0.0045 C 0 0 0
- 1.4831 -0.0455 -0.0002 C 0 0 0
- 0.5356 -2.2385 0.0012 O 0 0 0
- -3.3014 -0.5895 -0.0045 C 0 0 0
- -1.9359 -2.5153 -0.0011 O 0 0 0
- 2.4473 2.2346 -0.0006 C 0 0 0
- -4.8582 1.3671 0.0085 C 0 0 0
- 2.7972 -0.5673 0.0014 C 0 0 0
- 3.6833 1.6709 0.0018 C 0 0 0
- 3.8593 0.2891 0.0015 C 0 0 0
- 3.0004 -1.9096 0.0033 O 0 0 0
- -0.1068 2.9952 0.0000 H 0 0 0
- -2.5531 2.6742 0.0000 H 0 0 0
- 0.6631 -3.2766 0.0000 H 0 0 0
- -4.1483 -1.2032 0.0000 H 0 0 0
- -1.8378 -3.5566 0.0000 H 0 0 0
- 2.3444 3.2754 0.0000 H 0 0 0
- -4.4600 2.3342 0.0000 H 0 0 0
- -5.8253 1.7653 0.0000 H 0 0 0
- -5.2564 0.4000 0.0000 H 0 0 0
- 4.5254 2.2911 0.0000 H 0 0 0
- 4.8295 -0.1015 0.0000 H 0 0 0
- 3.1569 -2.9437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 13 16 2 0
- 15 17 2 0
- 15 18 1 0
- 7 9 1 0
- 8 11 2 0
- 16 17 1 0
- 3 19 1 0
- 4 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-519-73-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -0.0005 -0.0361 -0.9112 C 0 0 0
- -1.2400 -0.7103 -0.3819 C 0 0 0
- 0.0177 1.4032 -0.4653 C 0 0 0
- 1.2207 -0.7419 -0.3806 C 0 0 0
- -2.1335 -1.2992 -1.2567 C 0 0 0
- -1.4806 -0.7447 0.9791 C 0 0 0
- 1.2217 2.0655 -0.3169 C 0 0 0
- -1.1702 2.0630 -0.2100 C 0 0 0
- 2.0533 -1.4269 -1.2454 C 0 0 0
- 1.5112 -0.6996 0.9704 C 0 0 0
- -3.2707 -1.9177 -0.7711 C 0 0 0
- -2.6173 -1.3630 1.4646 C 0 0 0
- 1.2385 3.3860 0.0923 C 0 0 0
- -1.1534 3.3831 0.1990 C 0 0 0
- 3.1737 -2.0744 -0.7586 C 0 0 0
- 2.6312 -1.3469 1.4571 C 0 0 0
- -3.5140 -1.9471 0.5892 C 0 0 0
- 0.0512 4.0439 0.3530 C 0 0 0
- 3.4610 -2.0369 0.5928 C 0 0 0
- -0.0131 -1.0066 0.0000 H 0 0 0
- -1.6342 -2.1314 0.0000 H 0 0 0
- -1.7860 0.1765 0.0000 H 0 0 0
- 2.0540 1.5663 0.0000 H 0 0 0
- -2.0098 1.5761 0.0000 H 0 0 0
- 1.5003 -2.2245 0.0000 H 0 0 0
- 1.6942 0.2535 0.0000 H 0 0 0
- -2.9754 -2.8422 0.0000 H 0 0 0
- -3.1144 -0.5295 0.0000 H 0 0 0
- 2.0778 3.8733 0.0000 H 0 0 0
- -1.9854 3.8828 0.0000 H 0 0 0
- 2.9836 -3.0261 0.0000 H 0 0 0
- 3.1863 -0.5508 0.0000 H 0 0 0
- -4.4261 -2.2788 0.0000 H 0 0 0
- 0.0533 5.0144 0.0000 H 0 0 0
- 4.3932 -2.3069 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 2 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 2 0
- 10 4 1 0
- 11 5 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 1 0
- 16 10 2 0
- 17 11 2 0
- 18 13 2 0
- 19 15 2 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 1 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1484-12-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.7372 -0.7053 -0.0012 C 0 0 0
- -0.7372 -0.7053 -0.0006 C 0 0 0
- 1.1351 0.6398 -0.0009 C 0 0 0
- 1.6959 -1.7159 0.0031 C 0 0 0
- -1.1351 0.6398 0.0000 C 0 0 0
- -1.6959 -1.7159 -0.0010 C 0 0 0
- 0.0000 1.4306 -0.0001 N 0 0 0
- 2.4920 0.9493 -0.0009 C 0 0 0
- 3.0348 -1.3896 0.0010 C 0 0 0
- -2.4920 0.9493 0.0007 C 0 0 0
- -3.0348 -1.3896 -0.0007 C 0 0 0
- 0.0000 2.8956 0.0012 C 0 0 0
- 3.4298 -0.0605 -0.0012 C 0 0 0
- -3.4298 -0.0605 0.0007 C 0 0 0
- 1.4016 -2.7153 0.0000 H 0 0 0
- -1.4016 -2.7153 0.0000 H 0 0 0
- 2.7989 1.9449 0.0000 H 0 0 0
- 3.7529 -2.1444 0.0000 H 0 0 0
- -2.7989 1.9449 0.0000 H 0 0 0
- -3.7529 -2.1444 0.0000 H 0 0 0
- 1.0419 2.8956 0.0000 H 0 0 0
- 0.0000 3.9375 0.0000 H 0 0 0
- -1.0419 2.8956 0.0000 H 0 0 0
- 4.4443 0.1768 0.0000 H 0 0 0
- -4.4443 0.1768 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.8920 0.0677 -0.0265 C 0 0 0
- 0.4005 0.0080 -0.3623 C 0 0 0
- 2.5314 1.2525 -0.7534 C 0 0 0
- 2.0683 0.2404 1.4835 C 0 0 0
- 2.5232 -1.1444 -0.4442 O 0 0 0
- -0.2405 -1.1798 0.3665 C 0 0 0
- -0.2812 1.2927 0.1133 C 0 0 0
- -1.6857 -1.3210 -0.1161 C 0 0 0
- -1.7727 1.1430 0.0427 C 0 0 0
- -2.3838 0.0059 -0.0527 C 0 0 0
- -3.8899 0.0151 -0.1032 C 0 0 0
- -0.6886 0.0118 0.0000 H 0 0 0
- 3.4898 0.7353 0.0000 H 0 0 0
- 3.0486 2.2109 0.0000 H 0 0 0
- 1.5730 1.7697 0.0000 H 0 0 0
- 2.8304 -0.5376 0.0000 H 0 0 0
- 2.8463 1.0025 0.0000 H 0 0 0
- 1.3062 1.0184 0.0000 H 0 0 0
- 3.0262 -2.1103 0.0000 H 0 0 0
- -0.3493 -2.2634 0.0000 H 0 0 0
- 0.8007 -1.4990 0.0000 H 0 0 0
- 0.7386 1.6749 0.0000 H 0 0 0
- -0.5287 2.3533 0.0000 H 0 0 0
- -2.7067 -1.6999 0.0000 H 0 0 0
- -1.4413 -2.3823 0.0000 H 0 0 0
- -2.3776 2.0486 0.0000 H 0 0 0
- -3.8832 1.1041 0.0000 H 0 0 0
- -4.9789 0.0218 0.0000 H 0 0 0
- -3.8966 -1.0739 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 9 10 2 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3290-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 49 1 V2000
- 0.0000 0.9589 0.1192 C 0 0 0
- 0.0000 -0.3464 0.9173 C 0 0 0
- 1.2492 1.0177 -0.7622 C 0 0 0
- -1.2492 1.0177 -0.7622 C 0 0 0
- 0.0000 2.1465 1.0837 C 0 0 0
- 0.0000 -1.4735 0.0019 O 0 0 0
- 2.4348 0.9619 0.0743 O 0 0 0
- -2.4348 0.9618 0.0743 O 0 0 0
- 0.0000 3.4518 0.2855 C 0 0 0
- 0.0000 -2.7327 0.4831 C 0 0 0
- 3.6591 0.9994 -0.4885 C 0 0 0
- -3.6591 0.9994 -0.4885 C 0 0 0
- 0.0000 -3.8733 -0.4433 C 0 0 0
- 0.0000 -2.9246 1.6832 O 0 0 0
- 4.8589 0.9430 0.3581 C 0 0 0
- 3.7706 1.0800 -1.6960 O 0 0 0
- -4.8589 0.9429 0.3580 C 0 0 0
- -3.7706 1.0800 -1.6960 O 0 0 0
- 0.0000 -3.6354 -1.9314 C 0 0 0
- 0.0000 -5.1165 0.0318 C 0 0 0
- 4.7206 0.8430 1.8554 C 0 0 0
- 6.0677 0.9800 -0.1975 C 0 0 0
- -4.7206 0.8429 1.8554 C 0 0 0
- -6.0677 0.9799 -0.1976 C 0 0 0
- -0.7802 0.1040 0.0000 H 0 0 0
- -0.7802 -0.7968 0.0000 H 0 0 0
- 1.7118 1.7907 0.0000 H 0 0 0
- 0.7866 1.7907 0.0000 H 0 0 0
- -0.7866 1.7907 0.0000 H 0 0 0
- -1.7118 1.7907 0.0000 H 0 0 0
- -0.7802 2.5969 0.0000 H 0 0 0
- -0.7802 1.6961 0.0000 H 0 0 0
- 0.9008 3.4518 0.0000 H 0 0 0
- 0.0000 4.3526 0.0000 H 0 0 0
- -0.9008 3.4518 0.0000 H 0 0 0
- 0.9008 -3.6354 0.0000 H 0 0 0
- 0.0000 -2.7346 0.0000 H 0 0 0
- -0.9008 -3.6354 0.0000 H 0 0 0
- -0.7802 -5.5669 0.0000 H 0 0 0
- 0.7802 -5.5669 0.0000 H 0 0 0
- 4.1928 1.5730 0.0000 H 0 0 0
- 3.9906 0.3152 0.0000 H 0 0 0
- 5.2484 0.1130 0.0000 H 0 0 0
- 6.5418 0.2140 0.0000 H 0 0 0
- 6.4940 1.7736 0.0000 H 0 0 0
- -5.2484 0.1129 0.0000 H 0 0 0
- -3.9906 0.3151 0.0000 H 0 0 0
- -4.1928 1.5729 0.0000 H 0 0 0
- -6.4940 1.7735 0.0000 H 0 0 0
- -6.5418 0.2139 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 1 0
- 10 6 1 0
- 11 7 1 0
- 12 8 1 0
- 13 10 1 0
- 14 10 2 0
- 15 11 1 0
- 16 11 2 0
- 17 12 1 0
- 18 12 2 0
- 19 13 1 0
- 20 13 2 0
- 21 15 1 0
- 22 15 2 0
- 23 17 1 0
- 24 17 2 0
- 2 25 1 0
- 2 26 1 0
- 3 27 1 0
- 3 28 1 0
- 4 29 1 0
- 4 30 1 0
- 5 31 1 0
- 5 32 1 0
- 9 33 1 0
- 9 34 1 0
- 9 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60599-38-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.0620 -0.3397 0.1496 N 0 0 0
- -1.0773 0.4843 0.8102 C 0 0 0
- 0.8501 0.2635 -0.8254 C 0 0 0
- 0.0325 -1.5952 0.4304 N 0 0 0
- -2.3441 0.4706 -0.0059 C 0 0 0
- 2.0815 0.7665 -0.1170 C 0 0 0
- 0.8766 -2.2802 -0.1188 O 0 0 0
- -3.5491 1.2465 0.4601 C 0 0 0
- -2.3937 -0.1621 -1.0333 O 0 0 0
- 3.1819 1.4339 -0.9010 C 0 0 0
- 2.1864 0.6347 1.0788 O 0 0 0
- -0.2935 1.0162 0.0000 H 0 0 0
- -1.3604 1.3882 0.0000 H 0 0 0
- 0.9166 1.2084 0.0000 H 0 0 0
- 0.0321 0.7410 0.0000 H 0 0 0
- -3.0363 2.0429 0.0000 H 0 0 0
- -4.3455 1.7593 0.0000 H 0 0 0
- -4.0619 0.4501 0.0000 H 0 0 0
- 3.6731 0.6240 0.0000 H 0 0 0
- 3.9918 1.9251 0.0000 H 0 0 0
- 2.6907 2.2438 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-229-87-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.7485 -0.4165 -0.0012 C 0 0 0
- -0.7171 -0.4203 -0.0006 C 0 0 0
- 1.3993 0.8411 -0.0005 C 0 0 0
- 1.5022 -1.5879 0.0033 C 0 0 0
- -1.3862 0.8255 0.0006 C 0 0 0
- -1.4517 -1.6057 -0.0018 C 0 0 0
- 0.6156 2.0164 0.0007 C 0 0 0
- 2.7988 0.8858 -0.0014 C 0 0 0
- 2.8671 -1.5109 0.0030 C 0 0 0
- -0.6864 1.9722 0.0008 N 0 0 0
- -2.7888 0.8407 0.0011 C 0 0 0
- -2.8170 -1.5555 -0.0017 C 0 0 0
- 3.5106 -0.2788 -0.0030 C 0 0 0
- -3.4807 -0.3345 0.0004 C 0 0 0
- 1.0283 -2.5177 0.0000 H 0 0 0
- -0.9609 -2.5267 0.0000 H 0 0 0
- 1.0923 2.9448 0.0000 H 0 0 0
- 3.2947 1.8041 0.0000 H 0 0 0
- 3.4328 -2.3879 0.0000 H 0 0 0
- -3.3018 1.7495 0.0000 H 0 0 0
- -3.3668 -2.4426 0.0000 H 0 0 0
- 4.5536 -0.2437 0.0000 H 0 0 0
- -4.5242 -0.3166 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81840-15-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 57 1 V2000
- 2.8379 -0.0703 -0.3325 C 0 0 0
- 1.4800 -0.4042 -0.3715 N 0 0 0
- 3.7653 -0.9875 0.1458 C 0 0 0
- 3.2597 1.1758 -0.7771 C 0 0 0
- 0.7750 0.7603 -0.9193 C 0 0 0
- 1.0452 -0.5656 1.0206 C 0 0 0
- 5.1048 -0.6575 0.1837 C 0 0 0
- 4.6002 1.5052 -0.7392 C 0 0 0
- -0.7234 0.4554 -1.0142 C 0 0 0
- -0.4354 -0.9580 1.0538 C 0 0 0
- 5.5262 0.5906 -0.2564 C 0 0 0
- 6.1134 -1.6492 0.7028 C 0 0 0
- -1.2025 0.0616 0.3204 N 0 0 0
- 6.8866 0.9221 -0.2166 N 0 0 0
- 7.4261 -1.4932 -0.0657 C 0 0 0
- -2.3088 0.6166 0.8538 C 0 0 0
- 7.8204 -0.0417 -0.1174 C 0 0 0
- -3.6440 0.1247 0.4613 C 0 0 0
- -2.2070 1.5226 1.6584 O 0 0 0
- 8.9935 0.2628 -0.0697 O 0 0 0
- -4.6889 1.0285 0.2492 C 0 0 0
- -3.8645 -1.2444 0.2955 C 0 0 0
- -5.9363 0.5632 -0.1178 C 0 0 0
- -5.1118 -1.7023 -0.0709 C 0 0 0
- -6.1511 -0.8054 -0.2760 C 0 0 0
- -6.9553 1.4399 -0.3246 O 0 0 0
- -7.3783 -1.2615 -0.6366 O 0 0 0
- -6.4298 2.7474 -0.0876 C 0 0 0
- -7.2829 -2.6851 -0.7162 C 0 0 0
- 3.4955 -1.9655 0.0000 H 0 0 0
- 2.5736 1.9232 0.0000 H 0 0 0
- 1.6973 1.1831 0.0000 H 0 0 0
- 0.4604 1.7249 0.0000 H 0 0 0
- 0.8115 -1.5529 0.0000 H 0 0 0
- 1.8054 -1.2375 0.0000 H 0 0 0
- 4.8700 2.4832 0.0000 H 0 0 0
- -0.5613 1.4569 0.0000 H 0 0 0
- -1.6030 0.9609 0.0000 H 0 0 0
- -1.3177 -1.4589 0.0000 H 0 0 0
- -0.0518 -1.8973 0.0000 H 0 0 0
- 5.2585 -2.1955 0.0000 H 0 0 0
- 6.4551 -2.6045 0.0000 H 0 0 0
- 7.1680 1.8968 0.0000 H 0 0 0
- 7.4164 -2.5077 0.0000 H 0 0 0
- 8.4311 -1.6322 0.0000 H 0 0 0
- -4.5092 2.0270 0.0000 H 0 0 0
- -3.0816 -1.8897 0.0000 H 0 0 0
- -5.2935 -2.7005 0.0000 H 0 0 0
- -5.4884 2.3690 0.0000 H 0 0 0
- -6.0514 3.6888 0.0000 H 0 0 0
- -7.3712 3.1258 0.0000 H 0 0 0
- -8.2952 -2.7529 0.0000 H 0 0 0
- -7.2151 -3.6974 0.0000 H 0 0 0
- -6.2706 -2.6173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 2 0
- 18 21 1 0
- 18 22 2 0
- 21 23 2 0
- 22 24 1 0
- 23 25 1 0
- 23 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 8 11 2 0
- 10 13 1 0
- 15 17 1 0
- 24 25 2 0
- 3 30 1 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 6 34 1 0
- 6 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 12 41 1 0
- 12 42 1 0
- 14 43 1 0
- 15 44 1 0
- 15 45 1 0
- 21 46 1 0
- 22 47 1 0
- 24 48 1 0
- 28 49 1 0
- 28 50 1 0
- 28 51 1 0
- 29 52 1 0
- 29 53 1 0
- 29 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26196-04-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.0101 0.0725 -0.0478 C 0 0 0
- -0.3708 -0.5676 -0.2039 C 0 0 0
- 0.4289 -0.7495 0.9664 O 0 0 0
- 2.1636 -0.5124 -0.8653 C 0 0 0
- 1.0726 1.5801 0.2054 C 0 0 0
- -1.3807 0.4093 0.0564 O 0 0 0
- -2.6074 -0.1196 -0.4511 C 0 0 0
- -0.8478 -1.4487 0.0000 H 0 0 0
- 1.7105 -1.4060 0.0000 H 0 0 0
- 3.0572 -0.9655 0.0000 H 0 0 0
- 2.6167 0.3812 0.0000 H 0 0 0
- 2.0736 1.5386 0.0000 H 0 0 0
- 1.1141 2.5811 0.0000 H 0 0 0
- 0.0716 1.6216 0.0000 H 0 0 0
- -3.0041 0.8004 0.0000 H 0 0 0
- -3.5274 -0.5163 0.0000 H 0 0 0
- -2.2107 -1.0396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 2 3 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-87-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.7075 0.6695 -0.3781 C 0 0 0
- -0.5684 1.0285 0.3862 C 0 0 0
- 1.8195 1.6515 -0.0040 C 0 0 0
- 1.2152 -1.0059 0.0533 Cl 0 0 0
- -1.8787 -0.1288 -0.0547 Cl 0 0 0
- 0.4376 1.8510 0.0000 H 0 0 0
- -0.0246 2.1116 0.0000 H 0 0 0
- -1.5285 1.7680 0.0000 H 0 0 0
- 2.6217 0.7431 0.0000 H 0 0 0
- 2.7279 2.4537 0.0000 H 0 0 0
- 1.0173 2.5599 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.1398 0.0000 0.0000 C 0 0 0
- -1.3252 0.0000 0.0000 N 0 3 0
- 0.7408 -0.8499 1.4721 Cl 0 0 0
- 0.7408 -0.8499 -1.4722 Cl 0 0 0
- 0.7408 1.6999 0.0000 Cl 0 0 0
- -1.9342 -1.0549 0.0000 O 0 0 0
- -1.9342 1.0548 0.0000 O 0 5 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-138580-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.8518 0.7201 0.0019 C 0 0 0
- 0.1929 -0.5296 0.0008 C 0 0 0
- 2.2935 0.4258 0.0012 C 0 0 0
- 0.0988 1.8892 -0.0017 C 0 0 0
- -1.2085 -0.5258 0.0005 C 0 0 0
- 1.1390 -1.5198 -0.0003 N 0 0 0
- 2.4117 -0.9733 -0.0001 C 0 0 0
- 3.4371 1.2227 0.0012 C 0 0 0
- -1.2175 1.8472 -0.0062 N 0 0 0
- 0.7991 3.2236 0.0002 C 0 0 0
- -1.8879 0.7019 0.0015 C 0 0 0
- -1.9747 -1.7852 -0.0004 C 0 0 0
- 3.6777 -1.5490 -0.0006 C 0 0 0
- 4.6825 0.6328 -0.0001 C 0 0 0
- -3.3707 0.7016 0.0012 C 0 0 0
- -3.4504 -1.7462 -0.0002 C 0 0 0
- -1.3933 -2.8523 -0.0009 O 0 0 0
- 4.8006 -0.7488 0.0003 C 0 0 0
- -4.1043 -0.5769 -0.0003 C 0 0 0
- -3.9795 1.7527 0.0025 O 0 0 0
- 0.9305 -2.5418 0.0000 H 0 0 0
- 3.3505 2.2622 0.0000 H 0 0 0
- 1.7227 2.7389 0.0000 H 0 0 0
- 1.2838 4.1472 0.0000 H 0 0 0
- -0.1245 3.7083 0.0000 H 0 0 0
- 3.7779 -2.5872 0.0000 H 0 0 0
- 5.5393 1.2276 0.0000 H 0 0 0
- -3.9899 -2.6389 0.0000 H 0 0 0
- 5.7473 -1.1866 0.0000 H 0 0 0
- -5.1473 -0.5711 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 1 0
- 12 16 1 0
- 12 17 2 0
- 13 18 2 0
- 15 19 1 0
- 15 20 2 0
- 6 7 1 0
- 9 11 1 0
- 14 18 1 0
- 16 19 2 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 18 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-118117 1 V2000
- 1.8270 -0.3750 -0.0041 N 0 0 0
- 0.6175 0.4516 0.0049 C 0 0 0
- 3.0419 0.2084 0.0023 C 0 0 0
- -0.6175 -0.4516 -0.0049 C 0 0 0
- 4.2861 -0.6419 -0.0070 C 0 0 0
- 3.1339 1.4176 0.0155 O 0 0 0
- -1.8270 0.3750 0.0041 N 0 0 0
- 5.5211 0.2613 0.0029 C 0 0 0
- -3.0419 -0.2084 -0.0023 C 0 0 0
- 6.7843 -0.6019 -0.0066 C 0 0 0
- -4.2861 0.6419 0.0070 C 0 0 0
- -3.1339 -1.4176 -0.0155 O 0 0 0
- 8.0192 0.3012 0.0033 C 0 0 0
- -5.5211 -0.2613 -0.0029 C 0 0 0
- 9.2824 -0.5620 -0.0061 C 0 0 0
- -6.7843 0.6019 0.0066 C 0 0 0
- 10.5174 0.3411 0.0037 C 0 0 0
- -8.0192 -0.3012 -0.0033 C 0 0 0
- 11.7806 -0.5221 -0.0057 C 0 0 0
- -9.2824 0.5620 0.0061 C 0 0 0
- 13.0155 0.3810 0.0042 C 0 0 0
- -10.5174 -0.3411 -0.0037 C 0 0 0
- 14.2787 -0.4822 -0.0053 C 0 0 0
- -11.7806 0.5221 0.0057 C 0 0 0
- 15.5137 0.4210 0.0046 C 0 0 0
- -13.0155 -0.3810 -0.0042 C 0 0 0
- 16.7768 -0.4423 -0.0048 C 0 0 0
- -14.2787 0.4822 0.0053 C 0 0 0
- 18.0118 0.4609 0.0050 C 0 0 0
- -15.5137 -0.4210 -0.0046 C 0 0 0
- 19.2750 -0.4024 -0.0044 C 0 0 0
- -16.7768 0.4423 0.0048 C 0 0 0
- 20.5099 0.5008 0.0055 C 0 0 0
- -18.0118 -0.4609 -0.0050 C 0 0 0
- 21.7731 -0.3624 -0.0040 C 0 0 0
- -19.2750 0.4024 0.0044 C 0 0 0
- 23.0081 0.5407 0.0059 C 0 0 0
- -20.5099 -0.5008 -0.0055 C 0 0 0
- 24.2713 -0.3225 -0.0035 C 0 0 0
- -21.7731 0.3624 0.0040 C 0 0 0
- -23.0081 -0.5407 -0.0059 C 0 0 0
- -24.2713 0.3225 0.0035 C 0 0 0
- 1.7400 -1.5192 0.0000 H 0 0 0
- 1.3679 1.3197 0.0000 H 0 0 0
- -0.1602 1.2953 0.0000 H 0 0 0
- -1.3679 -1.3197 0.0000 H 0 0 0
- 0.1602 -1.2953 0.0000 H 0 0 0
- 3.5357 -1.5100 0.0000 H 0 0 0
- 5.0638 -1.4856 0.0000 H 0 0 0
- -1.7400 1.5192 0.0000 H 0 0 0
- 6.2715 1.1294 0.0000 H 0 0 0
- 4.7434 1.1050 0.0000 H 0 0 0
- 6.0339 -1.4700 0.0000 H 0 0 0
- 7.5620 -1.4456 0.0000 H 0 0 0
- -3.5357 1.5100 0.0000 H 0 0 0
- -5.0638 1.4856 0.0000 H 0 0 0
- 8.7696 1.1693 0.0000 H 0 0 0
- 7.2415 1.1449 0.0000 H 0 0 0
- -6.2715 -1.1294 0.0000 H 0 0 0
- -4.7434 -1.1050 0.0000 H 0 0 0
- 8.5320 -1.4301 0.0000 H 0 0 0
- 10.0601 -1.4057 0.0000 H 0 0 0
- -6.0339 1.4700 0.0000 H 0 0 0
- -7.5620 1.4456 0.0000 H 0 0 0
- 11.2678 1.2092 0.0000 H 0 0 0
- 9.7397 1.1848 0.0000 H 0 0 0
- -8.7696 -1.1693 0.0000 H 0 0 0
- -7.2415 -1.1449 0.0000 H 0 0 0
- 11.0302 -1.3902 0.0000 H 0 0 0
- 12.5583 -1.3658 0.0000 H 0 0 0
- -8.5320 1.4301 0.0000 H 0 0 0
- -10.0601 1.4057 0.0000 H 0 0 0
- 13.7659 1.2491 0.0000 H 0 0 0
- 12.2378 1.2247 0.0000 H 0 0 0
- -11.2678 -1.2092 0.0000 H 0 0 0
- -9.7397 -1.1848 0.0000 H 0 0 0
- 13.5283 -1.3503 0.0000 H 0 0 0
- 15.0564 -1.3259 0.0000 H 0 0 0
- -11.0302 1.3902 0.0000 H 0 0 0
- -12.5583 1.3658 0.0000 H 0 0 0
- 16.2641 1.2891 0.0000 H 0 0 0
- 14.7360 1.2647 0.0000 H 0 0 0
- -13.7659 -1.2491 0.0000 H 0 0 0
- -12.2378 -1.2247 0.0000 H 0 0 0
- 16.0264 -1.3104 0.0000 H 0 0 0
- 17.5545 -1.2860 0.0000 H 0 0 0
- -13.5283 1.3503 0.0000 H 0 0 0
- -15.0564 1.3259 0.0000 H 0 0 0
- 18.7622 1.3290 0.0000 H 0 0 0
- 17.2341 1.3046 0.0000 H 0 0 0
- -16.2641 -1.2891 0.0000 H 0 0 0
- -14.7360 -1.2647 0.0000 H 0 0 0
- 18.5246 -1.2705 0.0000 H 0 0 0
- 20.0527 -1.2461 0.0000 H 0 0 0
- -16.0264 1.3104 0.0000 H 0 0 0
- -17.5545 1.2860 0.0000 H 0 0 0
- 21.2602 1.3689 0.0000 H 0 0 0
- 19.7321 1.3445 0.0000 H 0 0 0
- -18.7622 -1.3290 0.0000 H 0 0 0
- -17.2341 -1.3046 0.0000 H 0 0 0
- 21.0227 -1.2305 0.0000 H 0 0 0
- 22.5508 -1.2061 0.0000 H 0 0 0
- -18.5246 1.2705 0.0000 H 0 0 0
- -20.0527 1.2461 0.0000 H 0 0 0
- 23.7585 1.4088 0.0000 H 0 0 0
- 22.2304 1.3844 0.0000 H 0 0 0
- -21.2602 -1.3689 0.0000 H 0 0 0
- -19.7321 -1.3445 0.0000 H 0 0 0
- 23.6239 -1.2699 0.0000 H 0 0 0
- 25.2187 -0.9699 0.0000 H 0 0 0
- 24.9187 0.6249 0.0000 H 0 0 0
- -21.0227 1.2305 0.0000 H 0 0 0
- -22.5508 1.2061 0.0000 H 0 0 0
- -23.7585 -1.4088 0.0000 H 0 0 0
- -22.2304 -1.3844 0.0000 H 0 0 0
- -23.6239 1.2699 0.0000 H 0 0 0
- -25.2187 0.9699 0.0000 H 0 0 0
- -24.9187 -0.6249 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 33 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 37 39 1 0
- 38 40 1 0
- 40 41 1 0
- 41 42 1 0
- 1 43 1 0
- 2 44 1 0
- 2 45 1 0
- 4 46 1 0
- 4 47 1 0
- 5 48 1 0
- 5 49 1 0
- 7 50 1 0
- 8 51 1 0
- 8 52 1 0
- 10 53 1 0
- 10 54 1 0
- 11 55 1 0
- 11 56 1 0
- 13 57 1 0
- 13 58 1 0
- 14 59 1 0
- 14 60 1 0
- 15 61 1 0
- 15 62 1 0
- 16 63 1 0
- 16 64 1 0
- 17 65 1 0
- 17 66 1 0
- 18 67 1 0
- 18 68 1 0
- 19 69 1 0
- 19 70 1 0
- 20 71 1 0
- 20 72 1 0
- 21 73 1 0
- 21 74 1 0
- 22 75 1 0
- 22 76 1 0
- 23 77 1 0
- 23 78 1 0
- 24 79 1 0
- 24 80 1 0
- 25 81 1 0
- 25 82 1 0
- 26 83 1 0
- 26 84 1 0
- 27 85 1 0
- 27 86 1 0
- 28 87 1 0
- 28 88 1 0
- 29 89 1 0
- 29 90 1 0
- 30 91 1 0
- 30 92 1 0
- 31 93 1 0
- 31 94 1 0
- 32 95 1 0
- 32 96 1 0
- 33 97 1 0
- 33 98 1 0
- 34 99 1 0
- 34100 1 0
- 35101 1 0
- 35102 1 0
- 36103 1 0
- 36104 1 0
- 37105 1 0
- 37106 1 0
- 38107 1 0
- 38108 1 0
- 39109 1 0
- 39110 1 0
- 39111 1 0
- 40112 1 0
- 40113 1 0
- 41114 1 0
- 41115 1 0
- 42116 1 0
- 42117 1 0
- 42118 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-33-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 50 1 V2000
- -6.9211 0.7301 0.0034 C 0 0 0
- -7.1119 -0.6527 0.0017 C 0 0 0
- -5.6271 1.2526 0.0038 C 0 0 0
- -8.0878 1.6395 -0.0014 C 0 0 0
- -6.0231 -1.4967 0.0005 C 0 0 0
- -4.5425 0.4025 0.0025 C 0 0 0
- -7.8976 3.0044 0.0002 N 0 0 0
- -9.2956 1.1499 -0.0072 N 0 0 0
- -4.7361 -0.9730 0.0008 C 0 0 0
- -3.6652 -1.8077 0.0000 O 0 0 0
- -2.4985 -0.9827 0.0007 C 0 0 0
- -1.2492 -1.8660 -0.0002 C 0 0 0
- 0.0000 -0.9827 0.0005 C 0 0 0
- 1.2492 -1.8660 -0.0004 C 0 0 0
- 2.4985 -0.9827 0.0003 C 0 0 0
- 3.6652 -1.8077 -0.0005 O 0 0 0
- 4.7361 -0.9730 0.0002 C 0 0 0
- 6.0231 -1.4967 -0.0004 C 0 0 0
- 4.5425 0.4025 -0.0044 C 0 0 0
- 7.1119 -0.6527 -0.0002 C 0 0 0
- 5.6271 1.2526 -0.0042 C 0 0 0
- 6.9211 0.7301 0.0006 C 0 0 0
- 8.0878 1.6395 0.0013 C 0 0 0
- 7.8975 3.0045 0.0021 N 0 0 0
- 9.2956 1.1499 0.0012 N 0 0 0
- -8.0769 -1.0461 0.0000 H 0 0 0
- -5.4812 2.2844 0.0000 H 0 0 0
- -6.1649 -2.5291 0.0000 H 0 0 0
- -3.5759 0.7920 0.0000 H 0 0 0
- -6.9318 3.3959 0.0000 H 0 0 0
- -8.7195 3.6450 0.0000 H 0 0 0
- -10.2614 0.7584 0.0000 H 0 0 0
- -1.8045 -0.2053 0.0000 H 0 0 0
- -3.1925 -0.2053 0.0000 H 0 0 0
- -1.9432 -2.6434 0.0000 H 0 0 0
- -0.5552 -2.6434 0.0000 H 0 0 0
- 0.6940 -0.2053 0.0000 H 0 0 0
- -0.6940 -0.2053 0.0000 H 0 0 0
- 0.5552 -2.6434 0.0000 H 0 0 0
- 1.9432 -2.6434 0.0000 H 0 0 0
- 3.1925 -0.2053 0.0000 H 0 0 0
- 1.8045 -0.2053 0.0000 H 0 0 0
- 6.1649 -2.5291 0.0000 H 0 0 0
- 3.5759 0.7920 0.0000 H 0 0 0
- 8.0769 -1.0461 0.0000 H 0 0 0
- 5.4812 2.2844 0.0000 H 0 0 0
- 8.7194 3.6452 0.0000 H 0 0 0
- 6.9317 3.3959 0.0000 H 0 0 0
- 10.2614 0.7584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 6 9 2 0
- 21 22 2 0
- 2 26 1 0
- 3 27 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 18 43 1 0
- 19 44 1 0
- 20 45 1 0
- 21 46 1 0
- 24 47 1 0
- 24 48 1 0
- 25 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-612-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6923 -0.3835 -0.0317 C 0 0 0
- -0.3664 0.5027 0.0311 C 0 0 0
- 1.9913 0.0898 -0.0247 C 0 0 0
- 0.4309 -1.8660 -0.1017 C 0 0 0
- -0.1265 1.8625 0.1011 C 0 0 0
- -1.7572 -0.0040 0.0240 N 0 3 0
- 2.2312 1.4492 0.0453 C 0 0 0
- 1.6749 -2.5669 -0.1585 O 0 0 0
- 1.1721 2.3357 0.1078 C 0 0 0
- -2.5156 0.3113 -0.8754 O 0 0 0
- -2.1431 -0.7362 0.9175 O 0 5 0
- 2.7849 -0.5760 0.0000 H 0 0 0
- -0.5625 -1.5724 0.0000 H 0 0 0
- 0.0273 -2.8200 0.0000 H 0 0 0
- -0.9201 2.5282 0.0000 H 0 0 0
- 3.2044 1.8040 0.0000 H 0 0 0
- 2.5774 -3.0754 0.0000 H 0 0 0
- 1.3512 3.3560 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 9 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1838-56-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.8813 -0.4741 0.0595 C 0 0 0
- -2.3508 -0.3024 -0.0529 C 0 0 0
- -0.2902 0.7574 0.3323 C 0 0 0
- -0.0797 -1.6118 -0.0565 C 0 0 0
- -2.6785 1.0353 0.1495 C 0 0 0
- -3.3662 -1.2249 -0.3132 C 0 0 0
- -1.3938 1.7845 0.4051 C 0 0 0
- 1.0762 0.8574 0.4827 C 0 0 0
- 1.2906 -1.5100 0.0933 C 0 0 0
- -3.9942 1.4446 0.0936 C 0 0 0
- -4.6792 -0.8064 -0.3676 C 0 0 0
- 1.8738 -0.2729 0.3626 C 0 0 0
- 2.0703 -2.6183 -0.0194 O 0 0 0
- -4.9952 0.5251 -0.1643 C 0 0 0
- 3.2619 -0.1706 0.5150 N 0 0 0
- 3.9554 0.7273 -0.2126 C 0 0 0
- 5.4269 0.9285 0.0426 C 0 0 0
- 3.3951 1.3734 -1.0727 O 0 0 0
- -0.5205 -2.5446 0.0000 H 0 0 0
- -3.1466 -2.2330 0.0000 H 0 0 0
- -0.6205 2.4675 0.0000 H 0 0 0
- -1.9981 2.6208 0.0000 H 0 0 0
- 1.5172 1.7902 0.0000 H 0 0 0
- -4.2201 2.4513 0.0000 H 0 0 0
- -5.4358 -1.5079 0.0000 H 0 0 0
- 2.6640 -3.4621 0.0000 H 0 0 0
- -5.9817 0.8274 0.0000 H 0 0 0
- 3.7505 -1.0793 0.0000 H 0 0 0
- 5.5667 -0.0937 0.0000 H 0 0 0
- 6.4491 1.0683 0.0000 H 0 0 0
- 5.2871 1.9507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1468-95-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 1.2044 -0.2549 -0.1508 C 0 0 0
- -0.0001 -0.9487 -0.2539 C 0 0 0
- 1.2043 1.1953 0.0664 C 0 0 0
- 2.4425 -0.9262 -0.2461 C 0 0 0
- -1.2043 -0.2553 -0.1493 C 0 0 0
- -0.0001 -2.4391 -0.4767 C 0 0 0
- -0.0002 1.8889 0.1702 C 0 0 0
- 2.4421 1.8663 0.1666 C 0 0 0
- 3.5970 -0.2200 -0.1408 C 0 0 0
- -1.2043 1.1951 0.0680 C 0 0 0
- -2.4425 -0.9259 -0.2494 C 0 0 0
- 0.0005 -3.1094 0.7854 O 0 0 0
- 3.5969 1.1607 0.0607 C 0 0 0
- -2.4423 1.8660 0.1688 C 0 0 0
- -3.5970 -0.2199 -0.1434 C 0 0 0
- -3.5969 1.1601 0.0633 C 0 0 0
- 2.4697 -1.9682 0.0000 H 0 0 0
- -0.9030 -1.9182 0.0000 H 0 0 0
- -0.9025 -2.9608 0.0000 H 0 0 0
- -0.0003 2.9313 0.0000 H 0 0 0
- 2.4691 2.9083 0.0000 H 0 0 0
- 4.5063 -0.7296 0.0000 H 0 0 0
- -2.4698 -1.9679 0.0000 H 0 0 0
- 0.0014 -4.1518 0.0000 H 0 0 0
- 4.5060 1.6706 0.0000 H 0 0 0
- -2.4695 2.9080 0.0000 H 0 0 0
- -4.5062 -0.7296 0.0000 H 0 0 0
- -4.5061 1.6699 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 14 16 2 0
- 7 10 2 0
- 9 13 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57471-01-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 60 1 V2000
- 0.3691 -0.6141 -0.3892 C 0 0 0
- -0.7531 -1.4578 -0.3778 C 0 0 0
- 0.2110 0.7396 -0.6457 C 0 0 0
- 1.6037 -1.1206 -0.1445 O 0 0 0
- -2.0231 -0.9235 -0.6259 C 0 0 0
- -0.5956 -2.8921 -0.1077 C 0 0 0
- -1.0445 1.2577 -0.8892 C 0 0 0
- 2.5217 -0.0285 -0.2258 C 0 0 0
- -2.1622 0.4285 -0.8799 C 0 0 0
- -1.8030 -3.7938 -0.0965 C 0 0 0
- 0.5064 -3.3515 0.1065 O 0 0 0
- 3.9408 -0.5342 0.0417 C 0 0 0
- -3.4328 0.9656 -1.1290 N 0 0 0
- 4.9237 0.6351 -0.0454 C 0 0 0
- 4.0023 -1.1119 1.3473 O 0 0 0
- -4.4293 0.7788 -0.2411 C 0 0 0
- 6.2861 0.1496 0.2115 N 0 0 0
- -5.6787 1.1911 -0.5336 N 0 0 0
- -4.2012 0.2383 0.8240 O 0 0 0
- 7.1751 1.3150 0.1133 C 0 0 0
- -6.7327 1.1113 0.4807 C 0 0 0
- 7.0684 1.9212 -1.2874 C 0 0 0
- 6.7641 2.3589 1.1536 C 0 0 0
- 8.6186 0.8785 0.3715 C 0 0 0
- -6.3117 1.9076 1.7174 C 0 0 0
- -8.0294 1.6946 -0.0843 C 0 0 0
- -6.9579 -0.3515 0.8683 C 0 0 0
- 1.0350 1.3632 0.0000 H 0 0 0
- -2.8535 -1.5386 0.0000 H 0 0 0
- -1.1717 2.2832 0.0000 H 0 0 0
- 2.9816 0.8969 0.0000 H 0 0 0
- 1.6574 0.5379 0.0000 H 0 0 0
- -2.4213 -2.9658 0.0000 H 0 0 0
- -2.6310 -4.4121 0.0000 H 0 0 0
- -1.1847 -4.6218 0.0000 H 0 0 0
- 4.9291 -0.8361 0.0000 H 0 0 0
- -3.3221 1.9930 0.0000 H 0 0 0
- 5.3836 1.5605 0.0000 H 0 0 0
- 4.0594 1.2015 0.0000 H 0 0 0
- 4.1117 -2.1395 0.0000 H 0 0 0
- 6.5800 -0.8411 0.0000 H 0 0 0
- -5.5534 2.2168 0.0000 H 0 0 0
- 8.0861 2.1003 0.0000 H 0 0 0
- 6.8893 2.9389 0.0000 H 0 0 0
- 6.0507 1.7421 0.0000 H 0 0 0
- 7.7256 2.7375 0.0000 H 0 0 0
- 6.3855 3.3204 0.0000 H 0 0 0
- 5.8026 1.9803 0.0000 H 0 0 0
- 8.3195 -0.1106 0.0000 H 0 0 0
- 9.6077 0.5794 0.0000 H 0 0 0
- 8.9177 1.8676 0.0000 H 0 0 0
- -5.3982 1.4246 0.0000 H 0 0 0
- -5.8287 2.8211 0.0000 H 0 0 0
- -7.2252 2.3906 0.0000 H 0 0 0
- -7.6055 2.6370 0.0000 H 0 0 0
- -8.9718 2.1185 0.0000 H 0 0 0
- -8.4533 0.7522 0.0000 H 0 0 0
- -7.9792 -0.1943 0.0000 H 0 0 0
- -7.1151 -1.3728 0.0000 H 0 0 0
- -5.9366 -0.5087 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 21 27 1 0
- 7 9 1 0
- 3 28 1 0
- 5 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 10 33 1 0
- 10 34 1 0
- 10 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 15 40 1 0
- 17 41 1 0
- 18 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 26 55 1 0
- 26 56 1 0
- 26 57 1 0
- 27 58 1 0
- 27 59 1 0
- 27 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5326-87-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.9582 -1.1629 0.1128 N 0 0 0
- -0.1854 -0.4506 0.0763 C 0 0 0
- 2.1929 -0.5078 0.0475 C 0 0 0
- -1.5129 -1.1601 0.0032 C 0 0 0
- -0.1460 0.7613 0.1022 O 0 0 0
- 3.3665 -1.2433 -0.0510 C 0 0 0
- 2.2468 0.8798 0.0751 C 0 0 0
- -2.9635 0.1664 -0.0346 Br 0 0 0
- 4.5837 -0.5935 -0.1157 C 0 0 0
- 3.4668 1.5234 0.0100 C 0 0 0
- 4.6343 0.7877 -0.0826 C 0 0 0
- 0.9223 -2.1989 0.0000 H 0 0 0
- -2.2943 -1.8413 0.0000 H 0 0 0
- -0.9243 -2.0133 0.0000 H 0 0 0
- 3.3305 -2.2793 0.0000 H 0 0 0
- 1.3697 1.4323 0.0000 H 0 0 0
- 5.4628 -1.1428 0.0000 H 0 0 0
- 3.5066 2.5592 0.0000 H 0 0 0
- 5.5509 1.2718 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 10 11 1 0
- 1 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-943-93-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 2.1202 0.4274 0.6666 C 0 0 0
- 1.7038 -0.7071 -0.2482 C 0 0 0
- 3.0655 -0.4224 0.0195 O 0 0 0
- 2.0266 1.7827 0.0155 C 0 0 0
- 1.1045 -1.8858 0.4109 C 0 0 0
- 0.7067 1.9269 -0.7454 C 0 0 0
- -0.1701 -2.3583 -0.2916 C 0 0 0
- -0.4031 1.2941 0.0539 C 0 0 0
- -1.1291 -1.2030 -0.4204 C 0 0 0
- -1.6402 1.6878 -0.1170 C 0 0 0
- -2.3480 -1.3073 0.0481 C 0 0 0
- -2.7503 1.0553 0.6816 C 0 0 0
- -3.3049 -0.1500 -0.0801 C 0 0 0
- 1.1367 0.5674 0.0000 H 0 0 0
- 0.7932 -0.3101 0.0000 H 0 0 0
- 3.0200 1.7923 0.0000 H 0 0 0
- 2.0758 2.7749 0.0000 H 0 0 0
- 1.1838 -2.8760 0.0000 H 0 0 0
- 2.0790 -2.0785 0.0000 H 0 0 0
- 1.1149 2.8326 0.0000 H 0 0 0
- -0.0282 2.5953 0.0000 H 0 0 0
- -1.0009 -2.9029 0.0000 H 0 0 0
- 0.2777 -3.2451 0.0000 H 0 0 0
- -0.2989 0.3062 0.0000 H 0 0 0
- -0.7456 -0.2866 0.0000 H 0 0 0
- -1.7442 2.6757 0.0000 H 0 0 0
- -2.7324 -2.2233 0.0000 H 0 0 0
- -2.9491 2.0286 0.0000 H 0 0 0
- -3.7372 1.1692 0.0000 H 0 0 0
- -4.1354 0.3951 0.0000 H 0 0 0
- -3.9676 -0.8900 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 12 10 1 0
- 13 11 1 0
- 2 3 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7696-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 51 1 V2000
- -3.5054 0.2377 -0.1054 C 0 0 0
- -2.3302 -0.3797 0.6552 C 0 0 0
- -3.5041 -1.2579 0.2172 C 0 0 0
- -4.4068 0.9596 0.8628 C 0 0 0
- -1.1723 -0.5821 -0.2878 C 0 0 0
- -4.4641 -1.7472 1.3034 C 0 0 0
- -3.2664 -2.2300 -0.9401 C 0 0 0
- -5.4389 1.6334 0.4192 C 0 0 0
- -0.2567 -1.5300 -0.0327 O 0 0 0
- -1.0680 0.1089 -1.2735 O 0 0 0
- -6.3402 2.3553 1.3874 C 0 0 0
- -5.7249 1.6866 -1.0595 C 0 0 0
- 0.8590 -1.7249 -0.9413 C 0 0 0
- 1.9796 -0.8769 -0.5275 N 0 0 0
- 2.9530 -1.2406 0.3320 C 0 0 0
- 2.1979 0.3841 -0.9528 C 0 0 0
- 3.8831 -0.1086 0.4795 C 0 0 0
- 3.0462 -2.3155 0.8884 O 0 0 0
- 3.4219 0.8830 -0.3039 C 0 0 0
- 1.5052 1.0011 -1.7359 O 0 0 0
- 5.1278 -0.0176 1.3220 C 0 0 0
- 4.0813 2.2290 -0.4483 C 0 0 0
- 5.9579 1.1748 0.8288 C 0 0 0
- 5.0634 2.4124 0.7162 C 0 0 0
- -3.0109 0.9933 0.0000 H 0 0 0
- -2.0390 0.4751 0.0000 H 0 0 0
- -3.8771 1.6909 0.0000 H 0 0 0
- -4.8742 -0.9427 0.0000 H 0 0 0
- -5.2686 -2.1573 0.0000 H 0 0 0
- -4.0540 -2.5517 0.0000 H 0 0 0
- -4.1436 -2.4445 0.0000 H 0 0 0
- -3.0519 -3.1072 0.0000 H 0 0 0
- -2.3892 -2.0155 0.0000 H 0 0 0
- -5.7757 3.0601 0.0000 H 0 0 0
- -7.0450 2.9198 0.0000 H 0 0 0
- -6.9047 1.6505 0.0000 H 0 0 0
- -5.5598 2.5744 0.0000 H 0 0 0
- -6.6127 1.8517 0.0000 H 0 0 0
- -5.8900 0.7988 0.0000 H 0 0 0
- 0.4883 -2.5483 0.0000 H 0 0 0
- 1.5651 -2.2878 0.0000 H 0 0 0
- 4.9892 -0.9099 0.0000 H 0 0 0
- 5.9660 -0.3535 0.0000 H 0 0 0
- 4.1073 3.1316 0.0000 H 0 0 0
- 3.2046 2.4455 0.0000 H 0 0 0
- 6.6365 0.5791 0.0000 H 0 0 0
- 6.6259 1.7824 0.0000 H 0 0 0
- 5.8649 2.8284 0.0000 H 0 0 0
- 4.7693 3.2662 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 1 0
- 21 23 1 0
- 22 24 1 0
- 2 3 1 0
- 17 19 2 0
- 23 24 1 0
- 1 25 1 0
- 2 26 1 0
- 4 27 1 0
- 6 28 1 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 7 33 1 0
- 11 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 13 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-26-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 1.1831 0.0000 0.4282 C 0 0 0
- 1.8431 -1.2492 -0.1591 C 0 0 0
- 1.8430 1.2492 -0.1591 C 0 0 0
- -0.7319 0.0000 -0.0165 Br 0 0 0
- 2.2427 0.0000 0.0000 H 0 0 0
- 0.9062 -1.7442 0.0000 H 0 0 0
- 2.3381 -2.1861 0.0000 H 0 0 0
- 2.7800 -0.7542 0.0000 H 0 0 0
- 2.7799 0.7543 0.0000 H 0 0 0
- 2.3379 2.1861 0.0000 H 0 0 0
- 0.9061 1.7441 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-621-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.1570 0.5904 -0.2925 C 0 0 0
- 0.5328 -0.6103 -0.3870 C 0 0 0
- 0.5139 1.7470 0.0831 C 0 0 0
- -1.5254 0.6367 -0.5808 N 0 0 0
- 1.8892 -0.6511 -0.1062 C 0 0 0
- 1.8664 1.7024 0.3622 C 0 0 0
- -2.3779 -0.1848 0.0633 C 0 0 0
- 2.5547 0.5080 0.2687 C 0 0 0
- 2.5675 -1.8252 -0.1974 O 0 0 0
- -3.8305 -0.2265 -0.3358 C 0 0 0
- -1.9761 -0.8904 0.9642 O 0 0 0
- 0.0102 -1.4827 0.0000 H 0 0 0
- 0.0209 2.6365 0.0000 H 0 0 0
- -1.8899 1.5861 0.0000 H 0 0 0
- 2.3897 2.5744 0.0000 H 0 0 0
- 3.5717 0.5088 0.0000 H 0 0 0
- 3.0762 -2.7058 0.0000 H 0 0 0
- -3.8597 0.7900 0.0000 H 0 0 0
- -4.8470 -0.2557 0.0000 H 0 0 0
- -3.8013 -1.2430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-124-02-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.0000 -0.2948 -0.0033 N 0 0 0
- -1.1595 0.5844 -0.2047 C 0 0 0
- 1.1595 0.5797 0.2178 C 0 0 0
- -2.3903 -0.2531 -0.4384 C 0 0 0
- 2.3903 -0.2628 0.4326 C 0 0 0
- -3.4125 -0.1564 0.3752 C 0 0 0
- 3.4125 -0.1480 -0.3786 C 0 0 0
- -0.0014 -1.3851 0.0000 H 0 0 0
- -0.4108 1.3770 0.0000 H 0 0 0
- -1.8666 1.4143 0.0000 H 0 0 0
- 1.8688 1.4077 0.0000 H 0 0 0
- 0.4129 1.3742 0.0000 H 0 0 0
- -2.1189 -1.3091 0.0000 H 0 0 0
- 2.1267 -1.3207 0.0000 H 0 0 0
- -3.8663 0.8350 0.0000 H 0 0 0
- -4.0441 -1.0451 0.0000 H 0 0 0
- 4.0596 -1.0255 0.0000 H 0 0 0
- 3.8489 0.8512 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 5 7 2 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146818-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -1.2946 -0.3620 0.0726 C 0 0 0
- -2.3509 0.6187 0.0602 C 0 0 0
- 0.1179 0.0314 0.1986 C 0 0 0
- -1.6670 -1.6862 -0.0331 C 0 0 0
- -3.6122 0.1599 -0.0592 C 0 0 0
- 1.0816 -0.9107 0.2069 N 0 0 0
- 0.4155 1.2069 0.2953 O 0 0 0
- -3.3930 -1.6055 -0.1457 S 0 0 0
- -4.8734 0.9340 -0.0988 N 0 3 0
- 2.4284 -0.5335 0.1936 C 0 0 0
- -5.9394 0.3559 -0.2121 O 0 0 0
- -4.8450 2.1490 -0.0181 O 0 5 0
- 3.4201 -1.4979 0.0664 C 0 0 0
- 2.7769 0.8063 0.3018 C 0 0 0
- 4.7488 -1.1222 0.0536 C 0 0 0
- 4.1078 1.1755 0.2883 C 0 0 0
- 5.0927 0.2126 0.1673 C 0 0 0
- 6.5438 0.6190 0.1530 C 0 0 0
- 6.9827 0.8922 -1.2870 C 0 0 0
- -2.1454 1.6338 0.0000 H 0 0 0
- -1.0610 -2.5262 0.0000 H 0 0 0
- 0.8249 -1.9141 0.0000 H 0 0 0
- 3.1659 -2.5020 0.0000 H 0 0 0
- 2.0386 1.5327 0.0000 H 0 0 0
- 5.4897 -1.8460 0.0000 H 0 0 0
- 4.3658 2.1786 0.0000 H 0 0 0
- 6.3829 -0.4042 0.0000 H 0 0 0
- 7.4073 0.0471 0.0000 H 0 0 0
- 7.5300 0.0129 0.0000 H 0 0 0
- 7.8620 1.4395 0.0000 H 0 0 0
- 6.4354 1.7715 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 1 0
- 5 8 1 0
- 16 17 2 0
- 2 20 1 0
- 4 21 1 0
- 6 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101328-75-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 54 1 V2000
- -0.0427 -0.4475 -0.6457 C 0 0 0
- -1.1927 -1.2147 -0.4289 C 0 0 0
- -0.0112 0.9879 -0.9290 C 0 0 0
- 1.2741 -0.9213 -0.6349 C 0 0 0
- -2.4917 -0.4796 -0.5218 C 0 0 2
- -0.9739 -2.5289 -0.1682 C 0 0 0
- -1.3159 1.7477 -0.9726 C 0 0 0
- 1.2681 1.2919 -1.0793 C 0 0 0
- 2.0538 0.1619 -0.9080 N 0 0 0
- 1.4639 -2.2765 -0.3701 C 0 0 0
- -2.3145 0.9799 -0.0988 C 0 0 1
- -3.5491 -1.1175 0.3330 C 0 0 0
- 0.3249 -3.0354 -0.1370 C 0 0 0
- 3.5151 0.1363 -1.0089 C 0 0 0
- -3.6236 1.6387 -0.1044 N 0 0 0
- -4.3841 -0.3969 1.0261 C 0 0 0
- 4.1262 0.4094 0.3669 C 0 0 0
- -4.3636 1.1028 1.0435 C 0 0 0
- -3.3818 3.0604 0.1756 C 0 0 0
- -5.4249 -1.1068 1.8530 C 0 0 0
- 5.6523 0.3827 0.2616 C 0 0 0
- 6.2633 0.6558 1.6374 C 0 0 0
- 7.7895 0.6290 1.5321 C 0 0 0
- -3.3602 0.0825 0.0000 H 0 0 0
- -1.7770 -3.1810 0.0000 H 0 0 0
- -0.6843 2.5671 0.0000 H 0 0 0
- -2.0470 2.4797 0.0000 H 0 0 0
- 1.6373 2.2583 0.0000 H 0 0 0
- 2.4077 -2.7002 0.0000 H 0 0 0
- -1.4157 0.4676 0.0000 H 0 0 0
- -3.6365 -2.1483 0.0000 H 0 0 0
- 0.4364 -4.0639 0.0000 H 0 0 0
- 3.1168 -0.8185 0.0000 H 0 0 0
- 4.2557 -0.5860 0.0000 H 0 0 0
- 4.5245 1.3642 0.0000 H 0 0 0
- 3.3856 1.1317 0.0000 H 0 0 0
- -4.7791 2.0502 0.0000 H 0 0 0
- -5.3775 0.8975 0.0000 H 0 0 0
- -2.3619 2.8869 0.0000 H 0 0 0
- -3.2083 4.0803 0.0000 H 0 0 0
- -4.4017 3.2339 0.0000 H 0 0 0
- -6.0078 -0.2521 0.0000 H 0 0 0
- -6.2796 -1.6897 0.0000 H 0 0 0
- -4.8420 -1.9615 0.0000 H 0 0 0
- 5.2541 -0.5721 0.0000 H 0 0 0
- 6.3930 -0.3396 0.0000 H 0 0 0
- 6.6616 1.6106 0.0000 H 0 0 0
- 5.5226 1.3781 0.0000 H 0 0 0
- 7.7713 -0.4054 0.0000 H 0 0 0
- 8.8239 0.6108 0.0000 H 0 0 0
- 7.8077 1.6634 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 21 22 1 0
- 22 23 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 16 18 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
- 23 49 1 0
- 23 50 1 0
- 23 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1126-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.9503 0.0761 0.4481 C 0 0 0
- -0.4554 0.2019 0.9764 C 0 0 0
- 1.6900 1.2115 0.1738 C 0 0 0
- 1.5022 -1.1744 0.2431 C 0 0 0
- -1.4383 0.2487 -0.1953 C 0 0 0
- 2.9792 1.0961 -0.3108 C 0 0 0
- 2.7919 -1.2899 -0.2416 C 0 0 0
- -2.8654 0.3764 0.3411 C 0 0 0
- 3.5292 -0.1548 -0.5213 C 0 0 0
- -3.8483 0.4232 -0.8305 C 0 0 0
- -3.6296 -0.7617 -0.0623 O 0 0 0
- 0.1173 1.0408 0.0000 H 0 0 0
- -0.9083 1.1111 0.0000 H 0 0 0
- 1.2463 2.1252 0.0000 H 0 0 0
- 0.9102 -1.9998 0.0000 H 0 0 0
- -2.0110 -0.5902 0.0000 H 0 0 0
- -0.9854 -0.6605 0.0000 H 0 0 0
- 3.5718 1.9211 0.0000 H 0 0 0
- 3.2362 -2.2033 0.0000 H 0 0 0
- -2.7960 1.3898 0.0000 H 0 0 0
- 4.5416 -0.2369 0.0000 H 0 0 0
- -3.8779 1.4385 0.0000 H 0 0 0
- -4.8584 0.3159 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 1 0
- 7 9 2 0
- 10 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146177-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.6833 0.7627 -0.0032 C 0 0 0
- -1.3709 -0.4536 -0.0026 C 0 0 0
- 0.7774 0.7436 -0.0019 C 0 0 0
- -1.6066 1.7511 0.0005 N 0 0 0
- -0.6698 -1.6621 -0.0005 C 0 0 0
- -2.7174 -0.1326 -0.0041 N 0 0 0
- 1.4419 -0.5082 -0.0001 C 0 0 0
- 1.4874 1.8707 -0.0028 N 0 0 0
- -2.8092 1.2279 0.0032 C 0 0 0
- 0.6867 -1.6963 0.0012 C 0 0 0
- -1.4384 -2.9584 0.0006 C 0 0 0
- -3.8359 -1.0787 -0.0042 C 0 0 0
- 2.7786 -0.5410 0.0012 N 0 0 0
- 2.8018 1.8135 -0.0020 C 0 0 0
- -3.9879 1.9449 0.0076 N 0 0 0
- 1.3955 -3.0262 0.0040 C 0 0 0
- 3.4587 0.5840 0.0006 C 0 0 0
- 4.9652 0.5440 0.0020 C 0 0 0
- -2.3346 -2.4271 0.0000 H 0 0 0
- -1.9697 -3.8546 0.0000 H 0 0 0
- -0.5422 -3.4897 0.0000 H 0 0 0
- -4.5087 -0.2833 0.0000 H 0 0 0
- -4.6313 -1.7515 0.0000 H 0 0 0
- -3.1631 -1.8741 0.0000 H 0 0 0
- 3.3568 2.6952 0.0000 H 0 0 0
- -3.9640 2.9865 0.0000 H 0 0 0
- -4.9018 1.4448 0.0000 H 0 0 0
- 0.4761 -3.5162 0.0000 H 0 0 0
- 1.8855 -3.9456 0.0000 H 0 0 0
- 2.3149 -2.5362 0.0000 H 0 0 0
- 4.9375 -0.4975 0.0000 H 0 0 0
- 6.0067 0.5163 0.0000 H 0 0 0
- 4.9929 1.5855 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 17 18 1 0
- 6 9 1 0
- 7 10 1 0
- 14 17 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58-08-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.9156 0.2202 -0.0025 C 0 0 0
- -0.4355 -1.0835 -0.0019 C 0 0 0
- 0.0035 1.2915 -0.0013 C 0 0 0
- -2.2928 0.1248 0.0012 N 0 0 0
- 0.9342 -1.2917 -0.0006 N 0 0 0
- -1.4957 -1.8956 -0.0029 N 0 0 0
- 1.3262 1.0248 0.0004 N 0 0 0
- -0.3927 2.4432 -0.0021 O 0 0 0
- -2.5965 -1.1879 0.0039 C 0 0 0
- -3.2436 1.2393 0.0021 C 0 0 0
- 1.7768 -0.2416 0.0001 C 0 0 0
- 1.4665 -2.6565 0.0005 C 0 0 0
- 2.2855 2.1320 0.0017 C 0 0 0
- 2.9759 -0.4439 0.0017 O 0 0 0
- -3.5340 -1.5689 0.0000 H 0 0 0
- -2.4737 1.8961 0.0000 H 0 0 0
- -3.9004 2.0092 0.0000 H 0 0 0
- -4.0135 0.5825 0.0000 H 0 0 0
- 0.5237 -3.0242 0.0000 H 0 0 0
- 1.8342 -3.5993 0.0000 H 0 0 0
- 2.4093 -2.2888 0.0000 H 0 0 0
- 3.0503 1.4693 0.0000 H 0 0 0
- 2.9482 2.8968 0.0000 H 0 0 0
- 1.5207 2.7947 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 11 14 2 0
- 6 9 2 0
- 7 11 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2243-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.6028 -0.6373 -0.0097 C 0 0 0
- -0.8780 -0.5524 -0.0118 C 0 0 0
- 1.3687 0.5271 0.0115 C 0 0 0
- 1.2307 -1.8822 -0.0232 C 0 0 0
- -1.5696 -0.4463 -1.2178 C 0 0 0
- -1.5806 -0.5841 1.1917 C 0 0 0
- 2.7452 0.4457 0.0138 C 0 0 0
- 0.7049 1.8500 0.0310 N 0 3 0
- 2.6071 -1.9588 -0.0208 C 0 0 0
- -2.9458 -0.3674 -1.2174 C 0 0 0
- -2.9572 -0.5050 1.1875 C 0 0 0
- 3.3690 -0.7961 -0.0050 C 0 0 0
- 1.3687 2.8661 -0.0718 O 0 0 0
- -0.5051 1.9225 0.1499 O 0 5 0
- -3.6442 -0.3935 -0.0156 C 0 0 0
- 4.7630 -0.8761 -0.0026 N 0 0 0
- -5.0381 -0.3130 -0.0175 N 0 0 0
- 0.6643 -2.7475 0.0000 H 0 0 0
- -1.4615 0.5822 0.0000 H 0 0 0
- -1.5870 -1.6182 0.0000 H 0 0 0
- 3.3138 1.3095 0.0000 H 0 0 0
- 3.0732 -2.8820 0.0000 H 0 0 0
- -2.9355 0.6667 0.0000 H 0 0 0
- -3.0699 -1.5330 0.0000 H 0 0 0
- 5.2279 -1.7999 0.0000 H 0 0 0
- 5.3305 -0.0116 0.0000 H 0 0 0
- -5.5027 0.6109 0.0000 H 0 0 0
- -5.6060 -1.1773 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 2 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 15 17 1 0
- 9 12 1 0
- 11 15 2 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6287-38-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -3.2783 -0.6320 0.0003 C 0 0 0
- -4.1913 0.1660 0.0012 O 0 0 0
- -1.8862 -0.1568 0.0011 C 0 0 0
- -0.8306 -1.0744 0.0002 C 0 0 0
- -1.6120 1.2152 -0.0030 C 0 0 0
- 0.4723 -0.6213 0.0005 C 0 0 0
- -0.3056 1.6538 -0.0027 C 0 0 0
- 1.7847 -1.7578 -0.0007 Cl 0 0 0
- 0.7359 0.7399 0.0012 C 0 0 0
- 2.3784 1.3019 0.0010 Cl 0 0 0
- -3.4803 -1.6567 0.0000 H 0 0 0
- -1.0283 -2.1000 0.0000 H 0 0 0
- -2.3958 1.9055 0.0000 H 0 0 0
- -0.1000 2.6778 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 1 0
- 9 6 2 0
- 10 9 1 0
- 7 9 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81486-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- -1.1686 -0.5284 -0.1774 C 0 0 0
- -2.0936 -1.5518 -0.1604 C 0 0 0
- 0.1934 -0.8407 -0.0749 C 0 0 0
- -1.4926 0.7835 -0.2721 O 0 0 0
- -3.5757 -1.2896 -0.2847 C 0 0 0
- -1.6748 -2.8682 -0.0310 C 0 0 0
- 1.1180 0.1563 -0.0983 O 0 0 0
- 0.6043 -2.1539 0.0492 C 0 0 0
- -2.7427 0.9441 -0.9256 C 0 0 0
- -3.8252 0.2140 -0.1194 C 0 0 0
- -0.3325 -3.1709 0.0738 C 0 0 0
- 2.3989 -0.4653 0.0233 C 0 0 0
- -5.1131 0.5436 -0.6436 O 0 0 0
- 3.4901 0.6070 0.0037 C 0 0 0
- -5.8619 1.0925 0.4255 N 0 3 0
- 4.8616 -0.0586 0.1338 C 0 0 0
- 3.4261 1.3292 -1.2277 O 0 0 0
- -7.0085 1.4593 0.2407 O 0 0 0
- -5.3593 1.1979 1.5300 O 0 5 0
- 5.9092 0.9710 0.1151 N 0 0 0
- 7.1933 0.2690 0.2430 C 0 0 0
- 8.2830 1.0633 -0.4799 C 0 0 0
- 7.5564 0.1358 1.7233 C 0 0 0
- -4.6063 -1.3425 0.0000 H 0 0 0
- -3.6396 -2.3196 0.0000 H 0 0 0
- -2.3724 -3.6287 0.0000 H 0 0 0
- 1.6113 -2.3797 0.0000 H 0 0 0
- -2.3304 1.8902 0.0000 H 0 0 0
- -3.5359 1.6043 0.0000 H 0 0 0
- -4.0012 1.2309 0.0000 H 0 0 0
- -0.0252 -4.1561 0.0000 H 0 0 0
- 1.8456 -1.3364 0.0000 H 0 0 0
- 3.2013 -1.1142 0.0000 H 0 0 0
- 2.5217 0.9637 0.0000 H 0 0 0
- 4.3083 -0.9297 0.0000 H 0 0 0
- 5.6641 -0.7075 0.0000 H 0 0 0
- 3.3350 2.3572 0.0000 H 0 0 0
- 5.7670 1.9932 0.0000 H 0 0 0
- 6.7669 -0.6708 0.0000 H 0 0 0
- 8.8909 0.2293 0.0000 H 0 0 0
- 9.1170 1.6712 0.0000 H 0 0 0
- 7.6751 1.8973 0.0000 H 0 0 0
- 7.2010 -0.8331 0.0000 H 0 0 0
- 8.5253 -0.2196 0.0000 H 0 0 0
- 7.9118 1.1047 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 2 0
- 15 19 1 0
- 16 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 8 11 1 0
- 9 10 1 0
- 5 24 1 0
- 5 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 20 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
- 23 43 1 0
- 23 44 1 0
- 23 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16568-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.4350 -0.0802 -0.0011 N 0 0 0
- -0.8501 0.4777 0.0006 N 0 0 0
- 1.5179 0.7221 0.0010 C 0 0 0
- 0.6016 -1.5357 0.0010 C 0 0 0
- -1.8787 -0.2843 -0.0013 C 0 0 0
- 2.6306 0.2390 -0.0005 O 0 0 0
- -3.2611 0.3158 0.0005 C 0 0 0
- 1.4006 1.7462 0.0000 H 0 0 0
- -0.4225 -1.6529 0.0000 H 0 0 0
- 0.7188 -2.5598 0.0000 H 0 0 0
- 1.6257 -1.4185 0.0000 H 0 0 0
- -1.7614 -1.3084 0.0000 H 0 0 0
- -2.8507 1.2613 0.0000 H 0 0 0
- -4.2066 0.7262 0.0000 H 0 0 0
- -3.6715 -0.6297 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 3 6 2 0
- 5 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1204-72-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -1.1819 0.6530 0.0405 C 0 0 0
- -1.4883 -0.7283 -0.0395 C 0 0 0
- 0.1630 1.0605 0.0606 C 0 0 0
- -2.2288 1.5885 0.1041 C 0 0 0
- -0.4413 -1.6639 -0.0977 C 0 0 0
- -2.8332 -1.1356 -0.0586 C 0 0 0
- 1.1506 0.1260 0.0031 C 0 0 0
- -3.5194 1.1569 0.0880 C 0 0 0
- 0.8493 -1.2325 -0.0765 C 0 0 0
- -3.8208 -0.2010 -0.0002 C 0 0 0
- 2.5659 0.5588 0.0240 N 0 3 0
- 1.9694 -2.2388 -0.1385 C 0 0 0
- 3.2660 0.3055 0.9879 O 0 0 0
- 3.0304 1.1682 -0.9228 O 0 5 0
- 0.4027 2.0762 0.0000 H 0 0 0
- -2.0181 2.6106 0.0000 H 0 0 0
- -0.6521 -2.6860 0.0000 H 0 0 0
- -3.0730 -2.1513 0.0000 H 0 0 0
- -4.2948 1.8554 0.0000 H 0 0 0
- -4.8187 -0.5067 0.0000 H 0 0 0
- 1.2719 -3.0151 0.0000 H 0 0 0
- 2.7457 -2.9363 0.0000 H 0 0 0
- 2.6669 -1.4625 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 9 12 1 0
- 11 13 2 0
- 11 14 1 0
- 7 9 1 0
- 8 10 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142438-58-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.0042 0.3120 -0.3405 C 0 0 0
- 0.7325 -1.0363 -0.1950 C 0 0 0
- 0.2257 -0.5658 -1.4457 O 0 0 0
- 1.0785 1.3644 -0.2311 C 0 0 0
- -1.3751 0.5945 0.1972 C 0 0 0
- 2.2057 -0.6416 -0.0006 C 0 0 0
- 0.1731 -2.2608 0.5321 C 0 0 0
- 2.2729 0.8045 -0.0437 O 0 0 0
- 0.8828 2.5545 -0.3039 O 0 0 0
- -2.4216 -0.1328 -0.2243 O 0 0 0
- -1.5388 1.4755 1.0076 O 0 0 0
- 2.6898 -1.1341 1.3646 C 0 0 0
- -0.9869 -2.8473 -0.2749 C 0 0 0
- -3.7505 0.1393 0.2937 C 0 0 0
- 3.1298 -0.2883 0.0000 H 0 0 0
- 0.3397 -3.2360 0.0000 H 0 0 0
- 1.1541 -2.3887 0.0000 H 0 0 0
- 1.9842 -1.8276 0.0000 H 0 0 0
- 3.3833 -1.8397 0.0000 H 0 0 0
- 3.3954 -0.4406 0.0000 H 0 0 0
- -1.4333 -1.9644 0.0000 H 0 0 0
- -1.8698 -3.2937 0.0000 H 0 0 0
- -0.5405 -3.7302 0.0000 H 0 0 0
- -3.5520 1.1085 0.0000 H 0 0 0
- -4.7197 0.3378 0.0000 H 0 0 0
- -3.9490 -0.8299 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 2 3 1 0
- 6 8 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5307-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.3287 0.1211 0.0093 C 0 0 0
- -0.0856 -1.2412 -0.1041 C 0 0 0
- 0.7279 1.0063 0.0955 C 0 0 0
- -1.7201 0.6251 0.0316 N 0 3 0
- 1.2201 -1.7137 -0.1303 C 0 0 0
- -1.1567 -2.1385 -0.1915 N 0 0 0
- 2.0332 0.5339 0.0688 C 0 0 0
- -2.0764 1.4653 -0.7750 O 0 0 0
- -2.5088 0.1997 0.8564 O 0 5 0
- 2.2764 -0.8287 -0.0441 C 0 0 0
- 3.1043 1.4312 0.1567 N 0 0 0
- 0.5471 2.0285 0.0000 H 0 0 0
- 1.4009 -2.7359 0.0000 H 0 0 0
- -2.1319 -1.7827 0.0000 H 0 0 0
- -0.9773 -3.1610 0.0000 H 0 0 0
- 3.2521 -1.1831 0.0000 H 0 0 0
- 4.0795 1.0754 0.0000 H 0 0 0
- 2.9249 2.4537 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 75 76 1 V2000
- -3.5333 2.5099 0.2799 C 0 0 0
- -2.9208 1.2032 -0.1541 C 0 0 0
- -2.7141 3.6707 -0.2880 C 0 0 0
- -4.9698 2.5974 -0.2395 C 0 0 0
- -3.5378 2.5885 1.8079 C 0 0 0
- -3.4924 0.0031 0.2423 C 0 0 0
- -1.7928 1.1995 -0.9519 C 0 0 0
- -2.9261 -1.1984 -0.1590 C 0 0 0
- -4.6050 0.0041 1.0227 O 0 0 0
- -1.2304 0.0011 -1.3503 C 0 0 0
- -3.5448 -2.5040 0.2695 C 0 0 0
- -1.7951 -1.1967 -0.9518 C 0 0 0
- 0.0000 0.0000 -2.2205 C 0 0 0
- -2.7322 -3.6662 -0.3048 C 0 0 0
- -3.5482 -2.5898 1.7971 C 0 0 0
- -4.9823 -2.5816 -0.2488 C 0 0 0
- 1.2305 -0.0011 -1.3505 C 0 0 0
- 1.7928 -1.1995 -0.9521 C 0 0 0
- 1.7985 1.1967 -0.9567 C 0 0 0
- 2.9212 -1.2032 -0.1548 C 0 0 0
- 2.9265 1.1984 -0.1597 C 0 0 0
- 3.5341 -2.5099 0.2787 C 0 0 0
- 3.4898 -0.0031 0.2459 C 0 0 0
- 3.5453 2.5040 0.2687 C 0 0 0
- 2.7197 -3.6707 -0.2961 C 0 0 0
- 4.9731 -2.5934 -0.2342 C 0 0 0
- 3.5315 -2.5925 1.8065 C 0 0 0
- 4.5995 -0.0041 1.0304 O 0 0 0
- 2.7363 3.6662 -0.3107 C 0 0 0
- 3.5432 2.5925 1.7961 C 0 0 0
- 4.9848 2.5788 -0.2444 C 0 0 0
- -1.9014 3.0971 0.0000 H 0 0 0
- -2.1405 4.4834 0.0000 H 0 0 0
- -3.5268 4.2443 0.0000 H 0 0 0
- -4.9093 3.5903 0.0000 H 0 0 0
- -5.9627 2.6579 0.0000 H 0 0 0
- -5.0303 1.6045 0.0000 H 0 0 0
- -2.5447 2.6454 0.0000 H 0 0 0
- -3.5947 3.5816 0.0000 H 0 0 0
- -4.5309 2.5316 0.0000 H 0 0 0
- -1.2580 2.0382 0.0000 H 0 0 0
- -5.5997 0.0050 0.0000 H 0 0 0
- -1.2618 -2.0364 0.0000 H 0 0 0
- -0.4981 -0.8610 0.0000 H 0 0 0
- 0.4966 -0.8619 0.0000 H 0 0 0
- -3.5474 -4.2362 0.0000 H 0 0 0
- -2.1622 -4.4814 0.0000 H 0 0 0
- -1.9170 -3.0962 0.0000 H 0 0 0
- -4.5422 -2.5504 0.0000 H 0 0 0
- -3.5876 -3.5838 0.0000 H 0 0 0
- -2.5542 -2.6292 0.0000 H 0 0 0
- -5.0359 -1.5883 0.0000 H 0 0 0
- -5.9756 -2.6352 0.0000 H 0 0 0
- -4.9287 -3.5749 0.0000 H 0 0 0
- 1.2579 -2.0382 0.0000 H 0 0 0
- 1.2661 2.0370 0.0000 H 0 0 0
- 1.9054 -3.0994 0.0000 H 0 0 0
- 2.1484 -4.4850 0.0000 H 0 0 0
- 3.5340 -4.2420 0.0000 H 0 0 0
- 4.9155 -3.5865 0.0000 H 0 0 0
- 5.9662 -2.6510 0.0000 H 0 0 0
- 5.0307 -1.6003 0.0000 H 0 0 0
- 2.5373 -2.5612 0.0000 H 0 0 0
- 3.5002 -3.5867 0.0000 H 0 0 0
- 4.5257 -2.6238 0.0000 H 0 0 0
- 5.5942 -0.0050 0.0000 H 0 0 0
- 3.5527 4.2345 0.0000 H 0 0 0
- 2.1680 4.4826 0.0000 H 0 0 0
- 1.9199 3.0979 0.0000 H 0 0 0
- 4.5377 2.6161 0.0000 H 0 0 0
- 3.5196 3.5870 0.0000 H 0 0 0
- 2.5487 2.5689 0.0000 H 0 0 0
- 5.0364 1.5854 0.0000 H 0 0 0
- 5.9782 2.6304 0.0000 H 0 0 0
- 4.9332 3.5722 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 1 0
- 20 23 2 0
- 21 24 1 0
- 22 25 1 0
- 22 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 1 0
- 24 30 1 0
- 24 31 1 0
- 10 12 1 0
- 21 23 1 0
- 3 32 1 0
- 3 33 1 0
- 3 34 1 0
- 4 35 1 0
- 4 36 1 0
- 4 37 1 0
- 5 38 1 0
- 5 39 1 0
- 5 40 1 0
- 7 41 1 0
- 9 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 14 48 1 0
- 15 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 16 54 1 0
- 18 55 1 0
- 19 56 1 0
- 25 57 1 0
- 25 58 1 0
- 25 59 1 0
- 26 60 1 0
- 26 61 1 0
- 26 62 1 0
- 27 63 1 0
- 27 64 1 0
- 27 65 1 0
- 28 66 1 0
- 29 67 1 0
- 29 68 1 0
- 29 69 1 0
- 30 70 1 0
- 30 71 1 0
- 30 72 1 0
- 31 73 1 0
- 31 74 1 0
- 31 75 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-54-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7291 0.0796 0.2652 C 0 0 0
- -0.6335 0.1891 0.5521 N 0 0 0
- 1.5628 1.1809 0.4149 C 0 0 0
- 1.2547 -1.1320 -0.1648 C 0 0 0
- -1.2257 -1.1296 0.2965 C 0 0 0
- -1.2007 1.1107 -0.4400 C 0 0 0
- 2.9095 1.0690 0.1308 C 0 0 0
- 2.6027 -1.2369 -0.4471 C 0 0 0
- -2.7428 -1.0548 0.4726 C 0 0 0
- -2.7178 1.1855 -0.2639 C 0 0 0
- 3.4286 -0.1376 -0.3022 C 0 0 0
- -3.3101 -0.1333 -0.5195 N 0 0 0
- 1.1448 2.1171 0.0000 H 0 0 0
- 0.6594 -1.9667 0.0000 H 0 0 0
- -1.4027 -2.1394 0.0000 H 0 0 0
- -0.2456 -1.4304 0.0000 H 0 0 0
- -0.2381 1.4636 0.0000 H 0 0 0
- -1.3550 2.1243 0.0000 H 0 0 0
- 3.5083 1.9012 0.0000 H 0 0 0
- 3.0249 -2.1712 0.0000 H 0 0 0
- -3.7054 -1.4078 0.0000 H 0 0 0
- -2.5885 -2.0684 0.0000 H 0 0 0
- -2.5408 2.1953 0.0000 H 0 0 0
- -3.6979 1.4864 0.0000 H 0 0 0
- 4.4466 -0.2593 0.0000 H 0 0 0
- -4.3332 -0.1997 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 8 11 2 0
- 10 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1513-65-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -2.3090 0.9030 -0.0001 F 0 0 0
- -1.1533 0.2033 -0.0013 C 0 0 0
- -0.0001 0.8471 0.0000 N 0 0 0
- -1.1910 -1.1811 0.0019 C 0 0 0
- 1.1534 0.2032 -0.0007 C 0 0 0
- -0.0001 -1.8898 0.0011 C 0 0 0
- 2.3091 0.9029 0.0012 F 0 0 0
- 1.1911 -1.1808 -0.0027 C 0 0 0
- -2.0896 -1.6759 0.0000 H 0 0 0
- -0.0001 -2.9156 0.0000 H 0 0 0
- 2.0897 -1.6756 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 1 0
- 8 5 2 0
- 6 8 1 0
- 4 9 1 0
- 6 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1874-22-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 1.6182 0.1672 -0.0030 C 0 0 0
- 0.6221 -0.7286 -0.0037 O 0 0 0
- 1.0920 1.4134 -0.0004 C 0 0 0
- 3.0631 -0.1550 0.0007 N 0 3 0
- -0.5630 -0.0823 -0.0015 C 0 0 0
- -0.3028 1.2750 0.0006 C 0 0 0
- 3.8871 0.7420 0.0010 O 0 0 0
- 3.4279 -1.3170 0.0034 O 0 5 0
- -1.8401 -0.6853 -0.0018 C 0 0 0
- -2.9600 0.0910 0.0006 C 0 0 0
- -4.2280 -0.5077 0.0003 C 0 0 0
- -5.2270 0.1847 0.0025 O 0 0 0
- 1.6122 2.2888 0.0000 H 0 0 0
- -0.9895 2.0269 0.0000 H 0 0 0
- -1.9240 -1.7001 0.0000 H 0 0 0
- -2.8761 1.1058 0.0000 H 0 0 0
- -4.3119 -1.5225 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 2 0
- 10 11 1 0
- 11 12 2 0
- 5 6 2 0
- 3 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2876-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.8395 0.5646 -0.0046 C 0 0 0
- -0.7178 -0.8994 -0.0018 C 0 0 0
- 0.2501 1.3265 -0.0042 N 0 0 0
- -2.1260 1.1381 -0.0017 C 0 0 0
- 0.4808 -1.4699 0.0006 N 0 0 0
- -1.8954 -1.6805 -0.0013 C 0 0 0
- 1.4501 0.7540 -0.0013 C 0 0 0
- -3.2244 0.3282 0.0035 C 0 0 0
- 1.5705 -0.7084 0.0005 C 0 0 0
- -3.1053 -1.0704 -0.0034 C 0 0 0
- 2.6276 1.5309 -0.0004 C 0 0 0
- -4.4932 0.9029 0.0063 N 0 0 0
- 2.8595 -1.2820 0.0025 C 0 0 0
- 3.8376 0.9146 0.0031 C 0 0 0
- 3.9522 -0.4759 0.0018 C 0 0 0
- -2.2386 2.1767 0.0000 H 0 0 0
- -1.8335 -2.7233 0.0000 H 0 0 0
- -3.9708 -1.6554 0.0000 H 0 0 0
- 2.5691 2.5739 0.0000 H 0 0 0
- -4.5957 1.9425 0.0000 H 0 0 0
- -5.3423 0.2943 0.0000 H 0 0 0
- 2.9726 -2.3205 0.0000 H 0 0 0
- 4.7051 1.4967 0.0000 H 0 0 0
- 4.9033 -0.9081 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 11 14 1 0
- 13 15 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 2 0
- 4 16 1 0
- 6 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-606-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.1971 -0.3646 0.0176 C 0 0 0
- -0.0002 0.3267 -0.0006 C 0 0 0
- 2.4787 0.3756 0.0406 N 0 3 0
- 1.1971 -1.7467 0.0203 C 0 0 0
- -1.1969 -0.3644 -0.0221 C 0 0 0
- -0.0003 1.8337 0.0033 C 0 0 0
- 3.2254 0.3303 -0.9207 O 0 0 0
- 2.7867 1.0299 1.0206 O 0 5 0
- -0.0001 -2.4380 0.0046 C 0 0 0
- -2.4786 0.3756 -0.0411 N 0 3 0
- -1.1968 -1.7470 -0.0252 C 0 0 0
- -3.2240 0.3275 0.9210 O 0 0 0
- -2.7880 1.0326 -1.0189 O 0 5 0
- 2.0948 -2.2650 0.0000 H 0 0 0
- 1.0363 1.8338 0.0000 H 0 0 0
- -0.0004 2.8703 0.0000 H 0 0 0
- -1.0369 1.8336 0.0000 H 0 0 0
- -0.0001 -3.4746 0.0000 H 0 0 0
- -2.0945 -2.2653 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 10 12 2 0
- 10 13 1 0
- 9 11 2 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 9 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79748-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 61 1 V2000
- -4.1375 0.2748 -0.0542 C 0 0 1
- -5.3806 0.7801 0.6989 C 0 0 2
- -4.5629 -0.2843 1.1900 O 0 0 0
- -4.6608 -0.5055 -1.2329 C 0 0 0
- -2.8545 1.0549 -0.1820 C 0 0 0
- -6.5617 0.2465 -0.1280 C 0 0 1
- -5.9989 -0.5033 -1.2497 N 0 0 0
- -3.9632 -1.0601 -2.0554 O 0 0 0
- -1.6380 0.4627 0.1710 C 0 0 0
- -2.8772 2.1996 -0.5922 O 0 0 0
- -7.4262 -0.6760 0.7337 C 0 0 0
- -7.3480 1.3368 -0.6129 O 0 0 0
- -0.5000 1.2345 0.2752 C 0 0 0
- -1.5706 -1.0190 0.4374 C 0 0 0
- -8.5979 -1.2010 -0.0984 C 0 0 0
- 0.7173 0.6419 0.6285 C 0 0 0
- -9.4053 -2.0626 0.7064 O 0 0 0
- 1.8541 1.4129 0.7327 C 0 0 0
- 3.0734 0.8193 1.0865 C 0 0 0
- 4.1997 1.5832 1.1897 C 0 0 0
- 3.1409 -0.6624 1.3529 C 0 0 0
- 5.4598 1.0182 0.9215 C 0 0 0
- 5.7707 0.6204 -0.3375 C 0 0 0
- 6.4643 0.8549 2.0330 C 0 0 0
- 7.1308 0.1614 -0.6478 C 0 0 0
- 7.5082 -1.2471 -0.4076 C 0 0 0
- 8.0372 1.0271 -1.1529 C 0 0 0
- 6.5764 -2.1360 -0.0122 O 0 0 0
- 8.6585 -1.6032 -0.5666 O 0 0 0
- 7.6849 1.8750 -2.3479 C 0 0 0
- 6.9570 -3.5075 0.2747 C 0 0 0
- -5.3998 1.7849 0.0000 H 0 0 0
- -6.4489 -1.4019 0.0000 H 0 0 0
- -7.3962 -1.6805 0.0000 H 0 0 0
- -6.4862 -1.0315 0.0000 H 0 0 0
- -7.9359 2.1519 0.0000 H 0 0 0
- -0.5717 2.2369 0.0000 H 0 0 0
- -2.5746 -1.0647 0.0000 H 0 0 0
- -1.5249 -2.0230 0.0000 H 0 0 0
- -0.5666 -0.9733 0.0000 H 0 0 0
- -8.6279 -0.1965 0.0000 H 0 0 0
- -9.5379 -0.8455 0.0000 H 0 0 0
- 0.7891 -0.3605 0.0000 H 0 0 0
- -10.0925 -2.7959 0.0000 H 0 0 0
- 1.7824 2.4153 0.0000 H 0 0 0
- 4.1121 2.5844 0.0000 H 0 0 0
- 2.1370 -0.7081 0.0000 H 0 0 0
- 3.1866 -1.6663 0.0000 H 0 0 0
- 4.1448 -0.6167 0.0000 H 0 0 0
- 5.1897 -0.1996 0.0000 H 0 0 0
- 6.3030 -0.1371 0.0000 H 0 0 0
- 7.4563 0.6936 0.0000 H 0 0 0
- 6.6256 1.8469 0.0000 H 0 0 0
- 9.0207 0.8203 0.0000 H 0 0 0
- 8.6130 2.2606 0.0000 H 0 0 0
- 7.2993 2.8031 0.0000 H 0 0 0
- 6.7568 1.4894 0.0000 H 0 0 0
- 5.9886 -3.7762 0.0000 H 0 0 0
- 7.2257 -4.4759 0.0000 H 0 0 0
- 7.9254 -3.2388 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 25 26 1 0
- 25 27 2 0
- 26 28 1 0
- 26 29 2 0
- 27 30 1 0
- 28 31 1 0
- 2 3 1 0
- 6 7 1 0
- 2 32 1 0
- 7 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 17 44 1 0
- 18 45 1 0
- 20 46 1 0
- 21 47 1 0
- 21 48 1 0
- 21 49 1 0
- 23 50 1 0
- 24 51 1 0
- 24 52 1 0
- 24 53 1 0
- 27 54 1 0
- 30 55 1 0
- 30 56 1 0
- 30 57 1 0
- 31 58 1 0
- 31 59 1 0
- 31 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-602-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.5188 0.4963 0.1030 C 0 0 0
- -0.4275 -0.9123 0.1009 C 0 0 0
- 0.7062 1.3071 0.2146 C 0 0 0
- -1.7683 1.1104 -0.0064 C 0 0 0
- 0.8960 -1.5582 0.2100 C 0 0 0
- -1.5808 -1.6806 -0.0047 C 0 0 0
- 2.0221 0.6602 0.0143 C 0 0 0
- 0.6368 2.4942 0.4680 O 0 0 0
- -2.9174 0.3250 -0.1171 C 0 0 0
- -1.8652 2.4634 -0.0048 O 0 0 0
- 2.1150 -0.7435 0.0122 C 0 0 0
- 0.9828 -2.7447 0.4596 O 0 0 0
- -2.8213 -1.0614 -0.1086 C 0 0 0
- 3.1668 1.4275 -0.1722 C 0 0 0
- -4.1351 0.9183 -0.2237 O 0 0 0
- 3.3511 -1.3529 -0.1761 C 0 0 0
- -3.9457 -1.8164 -0.2122 O 0 0 0
- 4.3892 0.8054 -0.3582 C 0 0 0
- 4.4806 -0.5746 -0.3604 C 0 0 0
- -1.5160 -2.7179 0.0000 H 0 0 0
- -1.9394 3.5001 0.0000 H 0 0 0
- 3.1046 2.4650 0.0000 H 0 0 0
- -5.0694 1.3735 0.0000 H 0 0 0
- 3.4265 -2.3895 0.0000 H 0 0 0
- -4.8086 -2.3958 0.0000 H 0 0 0
- 5.2568 1.3777 0.0000 H 0 0 0
- 5.4162 -1.0273 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 2 0
- 16 19 2 0
- 7 11 2 0
- 9 13 2 0
- 18 19 1 0
- 6 20 1 0
- 10 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 19 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97461-42-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- -2.0022 -0.0134 -0.0036 C 0 0 0
- -3.2042 -0.6267 -0.0027 O 0 0 0
- -2.2237 1.3482 -0.0012 C 0 0 0
- -0.7390 -0.6533 -0.0012 C 0 0 0
- -4.1759 0.2963 0.0002 C 0 0 0
- -3.6155 1.5262 0.0012 C 0 0 0
- 0.3967 0.0881 -0.0025 C 0 0 0
- -5.6291 0.0141 0.0013 N 0 3 0
- 1.6595 -0.5516 -0.0002 C 0 0 0
- -6.4280 0.9335 0.0040 O 0 0 0
- -6.0259 -1.1375 -0.0005 O 0 5 0
- 2.7881 0.1852 -0.0015 N 0 0 0
- 1.7261 -1.7675 0.0030 O 0 0 0
- 4.0950 -0.4768 0.0010 C 0 0 0
- 5.2017 0.5796 -0.0012 C 0 0 0
- 6.5666 -0.1118 0.0014 C 0 0 0
- 7.6734 0.9446 -0.0007 C 0 0 0
- 9.0383 0.2532 0.0018 C 0 0 0
- -1.4985 2.0985 0.0000 H 0 0 0
- -0.6819 -1.6952 0.0000 H 0 0 0
- -4.1231 2.4379 0.0000 H 0 0 0
- 0.3396 1.1300 0.0000 H 0 0 0
- 2.7310 1.2271 0.0000 H 0 0 0
- 3.5213 -1.3484 0.0000 H 0 0 0
- 4.8962 -1.1453 0.0000 H 0 0 0
- 5.7754 1.4512 0.0000 H 0 0 0
- 4.4005 1.2481 0.0000 H 0 0 0
- 5.9929 -0.9834 0.0000 H 0 0 0
- 7.3678 -0.7804 0.0000 H 0 0 0
- 8.2471 1.8162 0.0000 H 0 0 0
- 6.8722 1.6132 0.0000 H 0 0 0
- 8.5668 -0.6777 0.0000 H 0 0 0
- 9.9692 -0.2183 0.0000 H 0 0 0
- 9.5098 1.1841 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 5 6 2 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-29-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.1104 -0.2330 0.2126 C 0 0 0
- -1.5219 0.0990 0.6231 C 0 0 0
- 0.7786 0.6867 0.1769 N 0 0 0
- 0.2557 -1.6492 -0.1498 C 0 0 0
- -2.3358 0.4829 -0.6142 C 0 0 0
- 2.1049 0.3748 -0.2088 O 0 0 0
- -2.3188 -0.5407 0.0000 H 0 0 0
- -1.2962 -0.8976 0.0000 H 0 0 0
- -0.7336 -1.9050 0.0000 H 0 0 0
- 0.5115 -2.6385 0.0000 H 0 0 0
- 1.2450 -1.3934 0.0000 H 0 0 0
- -1.8999 1.4071 0.0000 H 0 0 0
- -3.2600 0.9188 0.0000 H 0 0 0
- -2.7717 -0.4413 0.0000 H 0 0 0
- 3.0996 0.1409 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7320-37-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 49 1 V2000
- -7.4323 0.4043 -0.3207 C 0 0 0
- -8.6846 -0.4652 -0.1914 C 0 0 0
- -8.2177 0.3667 0.8725 O 0 0 0
- -6.1867 -0.4652 -0.1390 C 0 0 0
- -4.9344 0.4043 -0.2683 C 0 0 0
- -3.6887 -0.4653 -0.0866 C 0 0 0
- -2.4365 0.4043 -0.2159 C 0 0 0
- -1.1908 -0.4653 -0.0342 C 0 0 0
- 0.0614 0.4043 -0.1635 C 0 0 0
- 1.3071 -0.4653 0.0182 C 0 0 0
- 2.5593 0.4042 -0.1111 C 0 0 0
- 3.8050 -0.4654 0.0706 C 0 0 0
- 5.0572 0.4042 -0.0587 C 0 0 0
- 6.3029 -0.4654 0.1230 C 0 0 0
- 7.5551 0.4042 -0.0063 C 0 0 0
- 8.8008 -0.4654 0.1754 C 0 0 0
- 10.0530 0.4041 0.0461 C 0 0 0
- -7.1166 1.4991 0.0000 H 0 0 0
- -9.8131 -0.3077 0.0000 H 0 0 0
- -8.4203 -1.5735 0.0000 H 0 0 0
- -6.9445 -1.3161 0.0000 H 0 0 0
- -5.4311 -1.3180 0.0000 H 0 0 0
- -4.1766 1.2552 0.0000 H 0 0 0
- -5.6900 1.2571 0.0000 H 0 0 0
- -4.4465 -1.3162 0.0000 H 0 0 0
- -2.9330 -1.3181 0.0000 H 0 0 0
- -1.6787 1.2552 0.0000 H 0 0 0
- -3.1922 1.2571 0.0000 H 0 0 0
- -1.9486 -1.3162 0.0000 H 0 0 0
- -0.4351 -1.3181 0.0000 H 0 0 0
- 0.8192 1.2552 0.0000 H 0 0 0
- -0.6943 1.2571 0.0000 H 0 0 0
- 0.5493 -1.3162 0.0000 H 0 0 0
- 2.0627 -1.3181 0.0000 H 0 0 0
- 3.3171 1.2551 0.0000 H 0 0 0
- 1.8037 1.2570 0.0000 H 0 0 0
- 3.0472 -1.3163 0.0000 H 0 0 0
- 4.5607 -1.3182 0.0000 H 0 0 0
- 5.8150 1.2551 0.0000 H 0 0 0
- 4.3015 1.2570 0.0000 H 0 0 0
- 5.5451 -1.3163 0.0000 H 0 0 0
- 7.0586 -1.3182 0.0000 H 0 0 0
- 8.3129 1.2551 0.0000 H 0 0 0
- 6.7994 1.2570 0.0000 H 0 0 0
- 8.0430 -1.3163 0.0000 H 0 0 0
- 9.5564 -1.3182 0.0000 H 0 0 0
- 10.7029 -0.5318 0.0000 H 0 0 0
- 10.9889 1.0540 0.0000 H 0 0 0
- 9.4031 1.3400 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 2 3 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 10 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 16 46 1 0
- 17 47 1 0
- 17 48 1 0
- 17 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-37574-47-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- -0.1933 0.0798 0.0823 C 0 0 0
- -1.6078 -0.3008 0.0781 C 0 0 0
- 0.2163 1.4231 0.1809 C 0 0 0
- 0.7732 -0.9412 -0.0099 C 0 0 0
- -2.6349 0.6431 0.1701 C 0 0 0
- -1.9435 -1.6726 -0.0233 C 0 0 0
- -0.8223 2.5183 0.2862 C 0 0 0
- 1.5266 1.7656 0.1845 C 0 0 0
- 2.1908 -0.5748 -0.0063 C 0 0 0
- 0.3804 -2.2881 -0.1042 C 0 0 0
- -2.3033 2.1124 0.2782 C 0 0 0
- -3.9382 0.2428 0.1622 C 0 0 0
- -0.9234 -2.6431 -0.1190 C 0 0 0
- -3.2943 -2.0535 -0.0279 C 0 0 0
- -1.6148 2.5290 -0.9027 O 0 0 0
- 2.5412 0.7914 0.0900 C 0 0 0
- 3.1954 -1.5429 -0.0939 C 0 0 0
- -4.2682 -1.1051 0.0632 C 0 0 0
- 3.8976 1.1516 0.0951 C 0 0 0
- 4.5052 -1.1595 -0.0862 C 0 0 0
- 4.8536 0.1843 0.0026 C 0 0 0
- -0.4002 3.4823 0.0000 H 0 0 0
- 1.7918 2.7841 0.0000 H 0 0 0
- 1.1179 -3.0389 0.0000 H 0 0 0
- -3.1572 2.7276 0.0000 H 0 0 0
- -4.7036 0.9651 0.0000 H 0 0 0
- -1.1810 -3.6635 0.0000 H 0 0 0
- -3.5533 -3.0735 0.0000 H 0 0 0
- 2.9441 -2.5649 0.0000 H 0 0 0
- -5.2798 -1.3952 0.0000 H 0 0 0
- 4.1741 2.1670 0.0000 H 0 0 0
- 5.2608 -1.8920 0.0000 H 0 0 0
- 5.8698 0.4578 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 12 18 1 0
- 16 19 1 0
- 17 20 2 0
- 19 21 2 0
- 7 11 1 0
- 9 16 2 0
- 10 13 2 0
- 11 15 1 0
- 14 18 2 0
- 20 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87185-24-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.7802 0.2926 -0.0196 C 0 0 0
- -0.5478 -1.1043 0.0354 C 0 0 0
- 0.3151 1.1728 -0.0472 C 0 0 0
- -2.1015 0.7711 -0.0397 C 0 0 0
- 0.7735 -1.5824 0.0609 C 0 0 0
- -1.6432 -1.9844 0.0631 C 0 0 0
- 1.5809 0.6736 -0.0208 C 0 0 0
- -3.1375 -0.1108 -0.0061 C 0 0 0
- 1.8094 -0.7003 0.0324 C 0 0 0
- -2.9090 -1.4850 0.0367 C 0 0 0
- 2.7321 1.6036 -0.0500 N 0 3 0
- -4.5279 0.3968 -0.0274 N 0 3 0
- 3.1998 -1.2075 0.0593 N 0 3 0
- 2.8122 2.4995 0.7712 O 0 0 0
- 3.5992 1.4729 -0.8953 O 0 5 0
- -5.4619 -0.3845 0.0024 O 0 0 0
- -4.7379 1.5956 -0.0746 O 0 5 0
- 3.4133 -2.4037 -0.0241 O 0 0 0
- 4.1302 -0.4286 0.1649 O 0 5 0
- 0.1601 2.1937 0.0000 H 0 0 0
- -2.2852 1.7872 0.0000 H 0 0 0
- 0.9574 -2.5985 0.0000 H 0 0 0
- -1.4884 -3.0053 0.0000 H 0 0 0
- -3.7120 -2.1342 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 13 18 2 0
- 13 19 1 0
- 7 9 1 0
- 8 10 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3571-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.9018 0.4186 0.1720 C 0 0 0
- -0.9582 -0.9716 0.2902 C 0 0 0
- 0.3976 1.1072 0.2864 C 0 0 0
- -2.0689 1.1618 -0.0600 C 0 0 0
- 0.2644 -1.7981 0.5527 C 0 0 0
- -2.1698 -1.6031 0.1659 C 0 0 0
- 1.6217 0.2958 0.1239 C 0 0 0
- 0.4593 2.3022 0.5065 O 0 0 0
- -3.2829 0.5074 -0.1825 C 0 0 0
- -2.0084 2.5130 -0.1632 O 0 0 0
- 1.5497 -1.0915 0.2452 C 0 0 0
- -3.3299 -0.8747 -0.0677 C 0 0 0
- 2.8441 0.9209 -0.1529 C 0 0 0
- 2.7024 -1.8395 0.0789 C 0 0 0
- -4.5173 -1.5204 -0.1887 O 0 0 0
- 3.9870 0.1514 -0.3125 C 0 0 0
- 2.9098 2.2713 -0.2646 O 0 0 0
- 3.9091 -1.2227 -0.1976 C 0 0 0
- -5.5101 -0.5191 -0.4207 C 0 0 0
- 5.1508 -2.0580 -0.3747 C 0 0 0
- -0.4421 -2.5529 0.0000 H 0 0 0
- 0.8987 -2.6145 0.0000 H 0 0 0
- -2.2112 -2.6361 0.0000 H 0 0 0
- -4.1615 1.0524 0.0000 H 0 0 0
- -1.9622 3.5458 0.0000 H 0 0 0
- 2.6491 -2.8720 0.0000 H 0 0 0
- 4.9130 0.6111 0.0000 H 0 0 0
- 2.9600 3.3039 0.0000 H 0 0 0
- -4.7759 0.2088 0.0000 H 0 0 0
- -6.2380 0.2151 0.0000 H 0 0 0
- -6.2443 -1.2470 0.0000 H 0 0 0
- 4.5737 -2.9158 0.0000 H 0 0 0
- 6.0086 -2.6351 0.0000 H 0 0 0
- 5.7279 -1.2002 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 2 0
- 15 19 1 0
- 18 20 1 0
- 7 11 2 0
- 9 12 1 0
- 16 18 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75476-80-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -1.2310 0.6316 -0.0028 C 0 0 0
- -1.6734 -0.6926 -0.0017 C 0 0 0
- 0.1143 0.9181 -0.0021 C 0 0 0
- -2.4707 1.4925 0.0015 C 0 0 0
- -0.7321 -1.7252 0.0001 C 0 0 0
- -3.1479 -0.7035 -0.0027 C 0 0 0
- 1.0403 -0.1114 -0.0003 C 0 0 0
- -3.6321 0.5261 0.0050 C 0 0 0
- 0.6145 -1.4279 0.0008 C 0 0 0
- 2.4879 0.1969 0.0004 N 0 3 0
- 3.3033 -0.7079 0.0020 O 0 0 0
- 2.8638 1.3555 -0.0006 O 0 5 0
- 0.4353 1.9058 0.0000 H 0 0 0
- -1.8041 2.2889 0.0000 H 0 0 0
- -3.2040 2.2279 0.0000 H 0 0 0
- -1.0461 -2.7151 0.0000 H 0 0 0
- -3.7292 -1.5640 0.0000 H 0 0 0
- -4.6381 0.7839 0.0000 H 0 0 0
- 1.3129 -2.1965 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 2 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3697-24-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.4682 0.7208 0.0019 C 0 0 0
- -0.3823 -0.4011 0.0008 C 0 0 0
- 1.9154 0.5004 0.0012 C 0 0 0
- -0.0717 2.0190 -0.0022 C 0 0 0
- -1.8297 -0.1803 0.0009 C 0 0 0
- 0.1577 -1.6987 -0.0008 C 0 0 0
- 2.4024 -0.8277 -0.0003 C 0 0 0
- 2.8168 1.5687 0.0024 C 0 0 0
- -1.4081 2.2281 -0.0077 C 0 0 0
- -2.3164 1.1479 0.0022 C 0 0 0
- -2.7312 -1.2480 0.0001 C 0 0 0
- 1.4945 -1.9077 -0.0017 C 0 0 0
- -0.7731 -2.8839 -0.0010 C 0 0 0
- 3.7886 -1.0474 -0.0011 C 0 0 0
- 4.1587 1.3204 0.0021 C 0 0 0
- -3.7021 1.3681 0.0021 C 0 0 0
- -4.0734 -0.9993 0.0006 C 0 0 0
- 4.6415 0.0157 -0.0003 C 0 0 0
- -4.5557 0.3050 0.0009 C 0 0 0
- 0.5785 2.8466 0.0000 H 0 0 0
- 2.4624 2.5597 0.0000 H 0 0 0
- -1.7771 3.2138 0.0000 H 0 0 0
- -2.3770 -2.2391 0.0000 H 0 0 0
- 1.8636 -2.8933 0.0000 H 0 0 0
- -1.6008 -2.2338 0.0000 H 0 0 0
- -1.4232 -3.7116 0.0000 H 0 0 0
- 0.0546 -3.5340 0.0000 H 0 0 0
- 4.1680 -2.0291 0.0000 H 0 0 0
- 4.8365 2.1256 0.0000 H 0 0 0
- -4.0811 2.3500 0.0000 H 0 0 0
- -4.7514 -1.8043 0.0000 H 0 0 0
- 5.6804 -0.1529 0.0000 H 0 0 0
- -5.5945 0.4739 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 10 16 2 0
- 11 17 1 0
- 14 18 2 0
- 16 19 1 0
- 7 12 2 0
- 9 10 1 0
- 15 18 1 0
- 17 19 2 0
- 4 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-62-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- -0.4699 0.0000 0.0000 C 0 0 0
- -1.0709 -1.6995 0.0350 Cl 0 0 0
- -1.0709 0.8194 -1.4893 Cl 0 0 0
- -1.0709 0.8801 1.4543 Cl 0 0 0
- 1.4961 0.0000 0.0000 Br 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101043-65-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.8806 -0.3263 -0.0144 C 0 0 0
- -0.4215 0.3607 0.0110 C 0 0 0
- 2.1069 0.4914 0.0050 C 0 0 0
- 0.9372 -1.6365 -0.0480 C 0 0 0
- -1.5357 -0.3316 -0.0046 C 0 0 0
- -0.4377 1.8340 0.0547 C 0 0 0
- 3.2782 -0.1063 -0.0171 C 0 0 0
- 1.9960 1.9570 0.0491 C 0 0 0
- -0.3108 -2.4184 -0.0599 C 0 0 0
- 2.2505 -2.3026 -0.0727 C 0 0 0
- -2.8268 0.3764 0.0214 C 0 0 0
- -1.4774 -1.8026 -0.0485 C 0 0 0
- 0.8357 2.5693 0.0709 C 0 0 0
- -1.5922 2.4635 0.0779 C 0 0 0
- 3.3505 -1.5778 -0.0607 C 0 0 0
- 4.4161 0.6292 0.0008 N 0 0 0
- -2.8487 1.6931 0.0601 C 0 0 0
- -3.9870 -0.3233 0.0053 N 0 3 0
- 5.5002 0.0744 -0.0197 O 0 0 0
- -4.8596 -0.0373 -0.7950 O 0 0 0
- -4.1575 -1.2381 0.7911 O 0 5 0
- 2.8458 2.5142 0.0000 H 0 0 0
- -0.2732 -3.4339 0.0000 H 0 0 0
- 2.3080 -3.3171 0.0000 H 0 0 0
- -2.3371 -2.3444 0.0000 H 0 0 0
- 0.8163 3.5853 0.0000 H 0 0 0
- -1.6180 3.4793 0.0000 H 0 0 0
- 4.2567 -2.0376 0.0000 H 0 0 0
- -3.7395 2.1821 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 16 19 2 0
- 18 20 2 0
- 18 21 1 0
- 8 13 2 0
- 9 12 2 0
- 10 15 2 0
- 14 17 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105427-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 3.0925 0.2294 -0.8178 C 0 0 0
- 2.0418 -0.5580 -0.0783 C 0 0 0
- 3.0585 1.6869 -0.3535 C 0 0 0
- 4.0371 0.7572 0.1156 O 0 0 0
- 0.7431 -0.2131 -0.1830 N 0 0 0
- 2.3648 -1.5021 0.6112 O 0 0 0
- -0.2784 -0.9786 0.5359 C 0 0 0
- -1.6375 -0.3926 0.2523 C 0 0 0
- -2.3784 -0.8525 -0.8206 C 0 0 0
- -2.1457 0.6006 1.0681 C 0 0 0
- -3.6249 -0.3150 -1.0807 C 0 0 0
- -3.3926 1.1382 0.8079 C 0 0 0
- -4.1309 0.6825 -0.2680 C 0 0 0
- 3.6217 -0.5848 0.0000 H 0 0 0
- 3.5230 2.5397 0.0000 H 0 0 0
- 2.1147 1.9156 0.0000 H 0 0 0
- 0.5580 0.7402 0.0000 H 0 0 0
- -0.8111 -1.7905 0.0000 H 0 0 0
- 0.4294 -1.6435 0.0000 H 0 0 0
- -2.3064 -1.8209 0.0000 H 0 0 0
- -1.4820 1.3095 0.0000 H 0 0 0
- -4.2898 -1.0227 0.0000 H 0 0 0
- -3.4634 2.1067 0.0000 H 0 0 0
- -5.0657 0.9454 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 9 11 2 0
- 10 12 1 0
- 11 13 1 0
- 3 4 1 0
- 12 13 2 0
- 1 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-94-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- -0.0016 -1.6902 -0.0024 C 0 0 0
- -1.2777 -0.9517 -0.0231 C 0 0 0
- 1.2759 -0.9541 0.0199 C 0 0 0
- -0.0029 -2.9066 0.0012 O 0 0 0
- -2.3298 -1.3466 0.8100 C 0 0 0
- -1.4370 0.1490 -0.8716 C 0 0 0
- 2.3038 -1.3072 -0.8607 C 0 0 0
- 1.4605 0.1025 0.9178 C 0 0 0
- -3.5183 -0.6530 0.7864 C 0 0 0
- -2.6190 0.8329 -0.8899 C 0 0 0
- 3.4937 -0.6160 -0.8352 C 0 0 0
- 2.6437 0.7842 0.9378 C 0 0 0
- -3.6696 0.4383 -0.0654 C 0 0 0
- 3.6704 0.4311 0.0657 C 0 0 0
- -4.8701 1.1385 -0.0887 N 0 0 0
- 4.8724 1.1288 0.0910 N 0 0 0
- -5.0311 2.2868 -0.9842 C 0 0 0
- -5.9745 0.7283 0.7821 C 0 0 0
- 5.0600 2.2306 1.0381 C 0 0 0
- 5.9516 0.7623 -0.8295 C 0 0 0
- -2.4033 -2.2131 0.0000 H 0 0 0
- -0.7168 0.6364 0.0000 H 0 0 0
- 2.3886 -2.1727 0.0000 H 0 0 0
- 0.7480 0.6011 0.0000 H 0 0 0
- -4.2409 -1.1369 0.0000 H 0 0 0
- -2.5472 1.6996 0.0000 H 0 0 0
- 4.2086 -1.1112 0.0000 H 0 0 0
- 2.5606 1.6499 0.0000 H 0 0 0
- -4.1699 2.4075 0.0000 H 0 0 0
- -5.1518 3.1480 0.0000 H 0 0 0
- -5.8923 2.1661 0.0000 H 0 0 0
- -6.2773 1.5435 0.0000 H 0 0 0
- -6.7897 0.4255 0.0000 H 0 0 0
- -5.6717 -0.0869 0.0000 H 0 0 0
- 5.9173 2.0846 0.0000 H 0 0 0
- 5.2060 3.0879 0.0000 H 0 0 0
- 4.2027 2.3766 0.0000 H 0 0 0
- 5.6720 -0.0612 0.0000 H 0 0 0
- 6.7751 0.4827 0.0000 H 0 0 0
- 6.2312 1.5858 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 9 13 2 0
- 11 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 10 13 1 0
- 12 14 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.5080 0.5707 0.0029 C 0 0 0
- -0.9418 -0.7441 0.0008 C 0 0 0
- 0.8464 0.8515 0.0028 C 0 0 0
- -1.6635 1.8663 -0.0014 Cl 0 0 0
- -0.0206 -1.7762 -0.0016 C 0 0 0
- -2.6415 -1.0975 0.0003 Cl 0 0 0
- 1.7666 -0.1812 0.0005 C 0 0 0
- 1.3324 -1.4951 -0.0017 C 0 0 0
- 3.4665 0.1711 -0.0002 Cl 0 0 0
- 1.1721 1.8369 0.0000 H 0 0 0
- -0.3457 -2.7618 0.0000 H 0 0 0
- 2.0231 -2.2697 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.7153 -1.1792 0.2699 C 0 0 0
- -0.7153 -1.1792 -0.2699 C 0 0 0
- 1.4320 0.0000 -0.2312 N 0 0 0
- -1.4320 0.0000 0.2312 N 0 0 0
- 0.7153 1.1792 0.2699 C 0 0 0
- -0.7153 1.1792 -0.2699 C 0 0 0
- 0.5279 -2.1970 0.0000 H 0 0 0
- 1.6824 -1.5477 0.0000 H 0 0 0
- -1.6824 -1.5477 0.0000 H 0 0 0
- -0.5279 -2.1970 0.0000 H 0 0 0
- 2.4669 0.0000 0.0000 H 0 0 0
- -2.4669 0.0000 0.0000 H 0 0 0
- 1.6824 1.5477 0.0000 H 0 0 0
- 0.5279 2.1970 0.0000 H 0 0 0
- -0.5279 2.1970 0.0000 H 0 0 0
- -1.6824 1.5477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15503-86-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 57 1 V2000
- -2.9416 2.2195 -0.6166 C 0 0 1
- -3.9069 3.1114 0.1099 N 0 3 0
- -1.8214 1.9902 0.3654 C 0 0 1
- -3.6888 0.9342 -0.8688 C 0 0 0
- -3.6537 2.8775 1.5586 C 0 0 0
- -5.2231 2.5235 -0.1985 C 0 0 0
- -3.7856 4.5141 -0.2802 O 0 5 0
- -2.0898 2.8302 1.6030 C 0 0 0
- -0.9444 0.9408 0.3553 O 0 0 0
- -4.9576 1.0924 -0.5943 C 0 0 0
- -3.0893 -0.3380 -1.4090 C 0 0 0
- 0.3508 0.9200 0.0098 C 0 0 0
- -2.3146 -1.0120 -0.3860 O 0 0 0
- 1.1890 -0.2389 0.3504 C 0 0 0
- 0.8336 1.8621 -0.5872 O 0 0 0
- -1.9594 -2.2956 -0.5612 C 0 0 0
- 0.6267 -1.3580 1.1874 C 0 0 0
- 2.4462 -0.2996 -0.0819 C 0 0 0
- -1.1177 -2.9952 0.4740 C 0 0 2
- -2.3152 -2.8901 -1.5511 O 0 0 0
- 0.3448 -2.5763 0.3071 C 0 0 1
- 3.3299 0.9185 -0.0024 C 0 0 0
- -1.2385 -4.5095 0.2917 C 0 0 0
- -1.5712 -2.6345 1.7803 O 0 0 0
- 0.6090 -2.2195 -1.1571 C 0 0 0
- -2.6045 -4.9003 0.4453 O 0 0 0
- 12.4040 0.7349 -0.2138 O 0 0 0
- 21.0615 0.8851 -0.0547 O 0 0 0
- -2.4950 3.0903 0.0000 H 0 0 0
- -0.9639 2.4617 0.0000 H 0 0 0
- -4.4931 2.3744 0.0000 H 0 0 0
- -3.4070 1.9305 0.0000 H 0 0 0
- -5.5506 3.4457 0.0000 H 0 0 0
- -6.1682 2.2697 0.0000 H 0 0 0
- -1.1299 3.0209 0.0000 H 0 0 0
- -2.1709 3.8054 0.0000 H 0 0 0
- -5.6287 0.3802 0.0000 H 0 0 0
- -4.0664 -0.3917 0.0000 H 0 0 0
- -3.4069 -1.2636 0.0000 H 0 0 0
- 0.0259 -0.5855 0.0000 H 0 0 0
- -0.3290 -1.5685 0.0000 H 0 0 0
- 2.8696 -1.1819 0.0000 H 0 0 0
- 0.9024 -3.3805 0.0000 H 0 0 0
- 4.1220 0.3438 0.0000 H 0 0 0
- 3.9046 1.7106 0.0000 H 0 0 0
- 2.5378 1.4932 0.0000 H 0 0 0
- -1.0833 -5.4757 0.0000 H 0 0 0
- -0.2607 -4.4705 0.0000 H 0 0 0
- -2.3371 -2.0253 0.0000 H 0 0 0
- 1.3955 -2.8019 0.0000 H 0 0 0
- 1.1914 -1.4330 0.0000 H 0 0 0
- -0.1775 -1.6371 0.0000 H 0 0 0
- -3.5454 -5.1695 0.0000 H 0 0 0
- 11.4254 0.7349 0.0000 H 0 0 0
- 13.3826 0.7349 0.0000 H 0 0 0
- 20.0829 0.8851 0.0000 H 0 0 0
- 22.0401 0.8851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 14 18 2 0
- 16 19 1 0
- 16 20 2 0
- 17 21 1 0
- 18 22 1 0
- 19 23 1 0
- 19 24 1 0
- 21 25 1 0
- 23 26 1 0
- 5 8 1 0
- 6 10 1 0
- 19 21 1 0
- 1 29 1 0
- 3 30 1 0
- 5 31 1 0
- 5 32 1 0
- 6 33 1 0
- 6 34 1 0
- 8 35 1 0
- 8 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 27 54 1 0
- 27 55 1 0
- 28 56 1 0
- 28 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99152-10-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 1.3181 -0.4609 -0.2285 C 0 0 1
- 0.0553 -0.0311 0.4725 C 0 0 0
- 2.4445 0.3374 0.2615 N 0 0 0
- 1.5805 -1.9413 0.0554 C 0 0 0
- -1.1155 -0.6312 0.1800 N 0 0 0
- 0.0924 0.8514 1.2968 O 0 0 0
- 2.7041 1.5424 -0.2836 C 0 0 0
- 2.8128 -2.4000 -0.7268 C 0 0 0
- 1.8248 -2.1378 1.5530 C 0 0 0
- -2.3432 -0.2133 0.8615 C 0 0 0
- -1.1552 -1.5735 -0.7001 N 0 0 0
- 3.9295 2.3117 0.1377 C 0 0 0
- 1.9514 2.0076 -1.1130 O 0 0 0
- -3.0024 0.8914 0.0766 C 0 0 0
- -2.2132 -2.1158 -0.9645 O 0 0 0
- -4.1494 1.4337 0.5146 O 0 0 0
- -2.4984 1.2888 -0.9471 O 0 0 0
- 1.1804 0.4873 0.0000 H 0 0 0
- 3.2443 -0.1903 0.0000 H 0 0 0
- 0.7559 -2.4293 0.0000 H 0 0 0
- 2.4785 -3.2980 0.0000 H 0 0 0
- 3.7108 -2.7343 0.0000 H 0 0 0
- 3.1471 -1.5020 0.0000 H 0 0 0
- 1.2243 -2.8844 0.0000 H 0 0 0
- 2.5714 -2.7383 0.0000 H 0 0 0
- 2.4253 -1.3912 0.0000 H 0 0 0
- -3.2718 -0.4497 0.0000 H 0 0 0
- -2.3809 -1.1707 0.0000 H 0 0 0
- 4.4390 1.5002 0.0000 H 0 0 0
- 4.7410 2.8212 0.0000 H 0 0 0
- 3.4200 3.1232 0.0000 H 0 0 0
- -5.0156 1.8433 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 2 0
- 10 14 1 0
- 11 15 2 0
- 14 16 1 0
- 14 17 2 0
- 1 18 1 0
- 3 19 1 0
- 4 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.3143 0.9698 0.0017 C 0 0 0
- -0.2950 -0.2720 0.0001 C 0 0 0
- 1.6936 1.0626 0.0019 C 0 0 0
- -0.5252 2.2213 -0.0029 C 0 0 0
- 0.4765 -1.4207 -0.0014 C 0 0 0
- -2.0271 -0.3894 0.0005 Cl 0 0 0
- 2.4638 -0.0851 0.0004 C 0 0 0
- 1.8553 -1.3266 -0.0012 C 0 0 0
- 2.1506 1.9937 0.0000 H 0 0 0
- 0.3361 2.7991 0.0000 H 0 0 0
- -1.1030 3.0826 0.0000 H 0 0 0
- -1.3865 1.6435 0.0000 H 0 0 0
- 0.0201 -2.3521 0.0000 H 0 0 0
- 3.4986 -0.0150 0.0000 H 0 0 0
- 2.4337 -2.1875 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16354-52-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- -0.5330 0.0483 -0.0232 C 0 0 0
- 0.0567 -1.2764 0.1781 C 0 0 0
- 0.2759 1.1641 -0.1583 C 0 0 0
- -1.9976 0.1671 -0.0722 C 0 0 0
- 1.4378 -1.4243 0.2358 C 0 0 0
- -0.8231 -2.4358 0.3173 C 0 0 0
- 1.6657 1.0215 -0.1017 C 0 0 0
- -0.3383 2.5245 -0.3658 C 0 0 0
- -2.7885 -0.9916 0.0751 C 0 0 0
- -2.6112 1.4064 -0.2614 C 0 0 0
- 2.2591 -0.3022 0.1007 C 0 0 0
- 2.0458 -2.7875 0.4435 C 0 0 0
- -2.1610 -2.2959 0.2624 C 0 0 0
- 2.5192 2.1347 -0.2351 C 0 0 0
- -0.3265 3.2962 0.9553 C 0 0 0
- -4.1850 -0.8763 0.0281 C 0 0 0
- -3.9848 1.4872 -0.3026 C 0 0 0
- 3.6634 -0.4146 0.1536 C 0 0 0
- 2.2924 -3.4481 -0.9143 C 0 0 0
- 3.8653 1.9582 -0.1748 C 0 0 0
- -4.7628 0.3457 -0.1583 C 0 0 0
- 4.4304 0.6986 0.0178 C 0 0 0
- -0.4086 -3.3928 0.0000 H 0 0 0
- -1.3019 2.9233 0.0000 H 0 0 0
- -1.0640 1.7755 0.0000 H 0 0 0
- -2.0354 2.2759 0.0000 H 0 0 0
- 3.0777 -2.9388 0.0000 H 0 0 0
- 2.6756 -1.9563 0.0000 H 0 0 0
- -2.7613 -3.1488 0.0000 H 0 0 0
- 2.1197 3.0980 0.0000 H 0 0 0
- 0.7163 3.2803 0.0000 H 0 0 0
- -0.3106 4.3390 0.0000 H 0 0 0
- -1.3693 3.3121 0.0000 H 0 0 0
- -4.7788 -1.7337 0.0000 H 0 0 0
- -4.4449 2.4231 0.0000 H 0 0 0
- 4.1112 -1.3565 0.0000 H 0 0 0
- 1.3153 -3.8128 0.0000 H 0 0 0
- 2.6571 -4.4252 0.0000 H 0 0 0
- 3.2695 -3.0834 0.0000 H 0 0 0
- 4.4879 2.7949 0.0000 H 0 0 0
- -5.8025 0.4273 0.0000 H 0 0 0
- 5.4690 0.6040 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 2 0
- 7 11 2 0
- 9 13 1 0
- 17 21 1 0
- 20 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-867-27-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 1.7837 -0.0749 -0.0847 P 0 0 0
- 0.4173 -0.5235 -0.8085 O 0 0 0
- 2.0266 -0.9900 1.2175 O 0 0 0
- 3.0159 -0.2556 -1.1051 O 0 0 0
- 1.6578 1.7126 0.4269 S 0 0 0
- -0.6567 -0.0131 -0.0161 C 0 0 0
- 1.9994 -2.3494 0.7779 C 0 0 0
- 4.1458 0.3809 -0.5050 C 0 0 0
- -1.9915 -0.4063 -0.6522 C 0 0 0
- -3.3549 0.2415 0.3538 S 0 0 0
- -4.7699 -0.3585 -0.6096 C 0 0 0
- -6.0702 0.0801 0.0670 C 0 0 0
- 0.0249 0.7580 0.0000 H 0 0 0
- -1.2092 0.8552 0.0000 H 0 0 0
- 0.9704 -2.3288 0.0000 H 0 0 0
- 1.9788 -3.3784 0.0000 H 0 0 0
- 3.0284 -2.3700 0.0000 H 0 0 0
- 4.6509 -0.5158 0.0000 H 0 0 0
- 5.0425 0.8860 0.0000 H 0 0 0
- 3.6407 1.2776 0.0000 H 0 0 0
- -2.6731 -1.1775 0.0000 H 0 0 0
- -1.4389 -1.2746 0.0000 H 0 0 0
- -5.3568 -1.2040 0.0000 H 0 0 0
- -4.1207 -1.1571 0.0000 H 0 0 0
- -5.7413 1.0553 0.0000 H 0 0 0
- -7.0454 0.4090 0.0000 H 0 0 0
- -6.3991 -0.8951 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-194-03-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.7522 0.0892 -0.0020 C 0 0 0
- -0.7199 0.1045 -0.0014 C 0 0 0
- 1.4376 1.2032 -0.0011 C 0 0 0
- 1.4103 -1.2316 0.0025 C 0 0 0
- -1.3629 1.2465 0.0006 C 0 0 0
- -1.4241 -1.1904 -0.0021 C 0 0 0
- 0.7196 2.4890 0.0009 C 0 0 0
- 2.9085 1.1350 -0.0015 C 0 0 0
- 0.5498 -2.4247 0.0069 C 0 0 0
- 2.7203 -1.2900 0.0019 C 0 0 0
- -0.6013 2.5070 0.0025 C 0 0 0
- -2.8355 1.2383 0.0014 C 0 0 0
- -0.7213 -2.3427 -0.0038 N 0 0 0
- -2.7417 -1.1896 -0.0013 C 0 0 0
- 3.5058 -0.0407 -0.0029 C 0 0 0
- -3.4773 0.0871 0.0000 C 0 0 0
- 1.2845 3.4367 0.0000 H 0 0 0
- 3.5071 2.0617 0.0000 H 0 0 0
- 1.0205 -3.4225 0.0000 H 0 0 0
- 3.2322 -2.2673 0.0000 H 0 0 0
- -1.1368 3.4716 0.0000 H 0 0 0
- -3.3969 2.1880 0.0000 H 0 0 0
- -3.2941 -2.1447 0.0000 H 0 0 0
- 4.6079 -0.0910 0.0000 H 0 0 0
- -4.5805 0.0793 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 12 16 2 0
- 7 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1888-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- 1.8707 0.3641 -0.4547 C 0 0 0
- 0.6277 0.3641 0.4373 C 0 0 0
- 3.1261 0.3641 0.4199 C 0 0 0
- 2.6326 -0.8199 -0.2100 O 0 0 0
- -0.6277 0.3641 -0.4373 C 0 0 0
- -1.8707 0.3641 0.4547 C 0 0 0
- -3.1261 0.3641 -0.4199 C 0 0 0
- -2.6326 -0.8199 0.2100 O 0 0 0
- 1.8707 1.3056 0.0000 H 0 0 0
- 1.0985 1.1795 0.0000 H 0 0 0
- 0.1569 1.1795 0.0000 H 0 0 0
- 4.0352 0.1191 0.0000 H 0 0 0
- 3.2497 1.2975 0.0000 H 0 0 0
- -0.1569 1.1795 0.0000 H 0 0 0
- -1.0985 1.1795 0.0000 H 0 0 0
- -1.8707 1.3056 0.0000 H 0 0 0
- -3.2497 1.2975 0.0000 H 0 0 0
- -4.0352 0.1191 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 6 8 1 0
- 3 4 1 0
- 7 8 1 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-20-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 1.2278 -0.0108 -0.4652 C 0 0 0
- 0.0872 -0.8083 0.1128 C 0 0 0
- 2.1834 0.2610 0.2213 O 0 0 0
- -1.4310 0.1597 0.0195 Cl 0 0 0
- 0.7798 0.9320 0.0000 H 0 0 0
- -0.5841 -1.6076 0.0000 H 0 0 0
- 0.7919 -1.5783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54-88-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.5579 -0.2145 0.0001 C 0 0 0
- -1.4348 -1.3046 -0.0010 C 0 0 0
- 0.7907 -0.4216 -0.0007 N 0 0 0
- -1.0675 1.0888 -0.0038 C 0 0 0
- -2.7947 -1.0916 -0.0001 C 0 0 0
- -0.8912 -2.7102 -0.0036 C 0 0 0
- 1.5977 0.5848 0.0004 N 0 0 0
- -2.4283 1.2934 -0.0087 C 0 0 0
- -3.2977 0.2061 0.0018 C 0 0 0
- 2.9491 0.3773 -0.0004 C 0 0 0
- -4.6740 0.4174 0.0027 N 0 0 0
- 3.8263 1.4649 0.0007 C 0 0 0
- 3.4598 -0.9237 0.0035 C 0 0 0
- -5.2055 1.7826 0.0048 C 0 0 0
- -5.5905 -0.7255 0.0015 C 0 0 0
- 5.1884 1.2479 0.0004 C 0 0 0
- 4.8239 -1.1252 0.0031 C 0 0 0
- 5.6867 -0.0430 -0.0011 C 0 0 0
- -0.4163 1.9046 0.0000 H 0 0 0
- -3.4496 -1.9044 0.0000 H 0 0 0
- -1.8648 -3.0867 0.0000 H 0 0 0
- -0.5147 -3.6838 0.0000 H 0 0 0
- 0.0824 -2.3337 0.0000 H 0 0 0
- -2.8092 2.2653 0.0000 H 0 0 0
- 3.4517 2.4392 0.0000 H 0 0 0
- 2.8102 -1.7408 0.0000 H 0 0 0
- -4.2328 2.1613 0.0000 H 0 0 0
- -5.5842 2.7553 0.0000 H 0 0 0
- -6.1782 1.4039 0.0000 H 0 0 0
- -6.4048 -0.0725 0.0000 H 0 0 0
- -6.2435 -1.5398 0.0000 H 0 0 0
- -4.7762 -1.3785 0.0000 H 0 0 0
- 5.8449 2.0594 0.0000 H 0 0 0
- 5.2067 -2.0963 0.0000 H 0 0 0
- 6.7184 -0.2014 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 2 0
- 16 18 2 0
- 8 9 1 0
- 17 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 6 23 1 0
- 8 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1576-35-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.5406 0.3368 -0.2387 S 0 0 0
- -0.2101 0.1723 -0.1255 C 0 0 0
- 2.1989 -0.4893 1.0367 N 0 0 0
- 1.9215 -0.3834 -1.4030 O 0 0 0
- 1.8162 1.7090 0.0065 O 0 0 0
- -0.9466 1.0997 0.5871 C 0 0 0
- -0.8475 -0.8812 -0.7541 C 0 0 0
- 1.9710 -1.8292 1.1734 N 0 0 0
- -2.3203 0.9707 0.6759 C 0 0 0
- -2.2207 -1.0102 -0.6653 C 0 0 0
- -2.9569 -0.0857 0.0522 C 0 0 0
- -4.4542 -0.2263 0.1491 C 0 0 0
- 3.1403 -0.2467 0.0000 H 0 0 0
- -0.5653 1.9940 0.0000 H 0 0 0
- -0.3309 -1.7048 0.0000 H 0 0 0
- 1.0595 -2.1672 0.0000 H 0 0 0
- 2.7195 -2.4496 0.0000 H 0 0 0
- -2.8376 1.7939 0.0000 H 0 0 0
- -2.6014 -1.9048 0.0000 H 0 0 0
- -4.5451 0.7416 0.0000 H 0 0 0
- -5.4221 -0.3172 0.0000 H 0 0 0
- -4.3633 -1.1942 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 7 10 2 0
- 9 11 2 0
- 11 12 1 0
- 10 11 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-609-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.8244 -0.0658 -0.6517 C 0 0 0
- -0.4770 0.6517 -0.4014 C 0 0 0
- 1.8844 0.4804 0.2698 C 0 0 0
- 0.6082 -1.8286 -0.3409 Cl 0 0 0
- -1.5594 -0.0386 -0.0092 O 0 0 0
- -0.5462 1.8483 -0.5537 O 0 0 0
- 2.7340 1.6462 -0.1663 C 0 0 0
- 2.0529 -0.0160 1.3576 O 0 0 0
- -2.8133 0.6527 0.2320 C 0 0 0
- -3.8775 -0.3576 0.6650 C 0 0 0
- 1.7055 -0.6797 0.0000 H 0 0 0
- 3.6019 1.0137 0.0000 H 0 0 0
- 3.3665 2.5141 0.0000 H 0 0 0
- 1.8661 2.2787 0.0000 H 0 0 0
- -2.2013 1.5351 0.0000 H 0 0 0
- -3.6285 1.3518 0.0000 H 0 0 0
- -4.6169 0.4212 0.0000 H 0 0 0
- -4.6563 -1.0970 0.0000 H 0 0 0
- -3.1381 -1.1364 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 2 0
- 7 3 1 0
- 8 3 2 0
- 9 5 1 0
- 10 9 1 0
- 1 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57817-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-116122 1 V2000
- 1.3751 -2.4117 0.0000 C 0 0 1
- 0.1164 -1.6713 0.0000 C 0 0 0
- 2.6339 -1.6713 0.0000 C 0 0 0
- 2.7925 -3.3003 0.0000 C 0 0 0
- 1.3751 -3.8609 0.0000 C 0 0 0
- -1.1318 -2.4117 0.0000 C 0 0 1
- 0.1164 -0.2327 0.0000 C 0 0 0
- 2.6127 -0.2327 0.0000 C 0 0 1
- 4.2417 -1.1424 0.0000 C 0 0 0
- 0.1481 -4.6119 0.0000 C 0 0 0
- -1.1001 -3.8609 0.0000 C 0 0 0
- -2.3906 -1.6713 0.0000 C 0 0 0
- -1.0789 -0.8674 0.0000 C 0 0 0
- 1.3539 0.5183 0.0000 C 0 0 0
- 3.0887 1.5232 0.0000 O 0 0 0
- 5.6274 -0.6029 0.0000 C 0 0 0
- -2.3588 -4.6119 0.0000 C 0 0 1
- -3.6493 -2.4117 0.0000 C 0 0 0
- 3.8186 2.8877 0.0000 C 0 0 2
- -3.6176 -3.8609 0.0000 C 0 0 0
- -1.5020 -5.8495 0.0000 C 0 0 0
- -3.4483 -5.7649 0.0000 C 0 0 0
- 3.0570 4.1994 0.0000 C 0 0 2
- 5.3418 2.8877 0.0000 O 0 0 0
- -1.9569 -7.2669 0.0000 O 0 0 0
- -0.1692 -5.5004 0.0000 O 0 0 0
- 1.5655 4.1994 0.0000 O 0 0 0
- 3.8397 5.5427 0.0000 C 0 0 2
- 6.1668 4.2311 0.0000 C 0 0 1
- -3.4483 -7.5525 0.0000 C 0 0 2
- 0.7933 5.5427 0.0000 C 0 0 2
- 5.3946 5.5427 0.0000 C 0 0 0
- 3.0887 6.8755 0.0000 O 0 0 0
- 7.7535 4.2311 0.0000 C 0 0 0
- -4.4426 -6.4313 0.0000 O 0 0 0
- -3.9138 -8.9805 0.0000 C 0 0 0
- 1.6184 6.8226 0.0000 O 0 0 0
- -0.7193 5.5427 0.0000 C 0 0 1
- 6.1880 6.8544 0.0000 O 0 0 0
- 8.5151 2.8877 0.0000 O 0 0 0
- -5.9447 -6.7592 0.0000 C 0 0 1
- -5.4158 -9.2978 0.0000 C 0 0 2
- -2.9195 -10.1229 0.0000 O 0 0 0
- 0.8462 8.1660 0.0000 C 0 0 1
- -1.4809 6.8544 0.0000 C 0 0 2
- -1.4809 4.1782 0.0000 O 0 0 0
- -6.4313 -8.2083 0.0000 C 0 0 0
- -6.9390 -5.6062 0.0000 C 0 0 0
- -5.8601 -10.7364 0.0000 O 0 0 0
- -0.6981 8.1660 0.0000 C 0 0 2
- 1.6395 9.4776 0.0000 C 0 0 0
- -3.0252 6.8544 0.0000 O 0 0 0
- -7.9016 -8.5256 0.0000 O 0 0 0
- -8.4304 -5.9024 0.0000 O 0 0 0
- -1.4809 9.4988 0.0000 O 0 0 0
- 0.8991 10.8422 0.0000 O 0 0 0
- -0.8739 -1.1073 0.0000 H 0 0 0
- 3.0347 -2.7381 0.0000 H 0 0 0
- 3.7537 -1.4594 0.0000 H 0 0 0
- 2.1771 -4.2595 0.0000 H 0 0 0
- 3.7452 -3.9257 0.0000 H 0 0 0
- 1.7831 -4.9250 0.0000 H 0 0 0
- 2.4957 -3.6534 0.0000 H 0 0 0
- -0.2889 0.8324 0.0000 H 0 0 0
- -1.0045 -0.4388 0.0000 H 0 0 0
- -0.5875 -5.4824 0.0000 H 0 0 0
- 0.8903 -5.4767 0.0000 H 0 0 0
- -0.1142 -3.2892 0.0000 H 0 0 0
- -1.6557 -0.8003 0.0000 H 0 0 0
- -3.1255 -0.8003 0.0000 H 0 0 0
- 0.0601 -0.9064 0.0000 H 0 0 0
- -1.0399 0.2716 0.0000 H 0 0 0
- -2.2179 -0.8284 0.0000 H 0 0 0
- 2.0884 1.3897 0.0000 H 0 0 0
- 0.6128 1.3841 0.0000 H 0 0 0
- 6.5165 -1.3159 0.0000 H 0 0 0
- 5.8003 0.5235 0.0000 H 0 0 0
- -4.0526 -1.3458 0.0000 H 0 0 0
- -4.7680 -2.6290 0.0000 H 0 0 0
- 2.6791 2.8678 0.0000 H 0 0 0
- -4.7418 -3.6740 0.0000 H 0 0 0
- -4.0098 -4.9309 0.0000 H 0 0 0
- -4.2766 -4.9822 0.0000 H 0 0 0
- -4.2310 -6.5932 0.0000 H 0 0 0
- -2.6200 -6.5476 0.0000 H 0 0 0
- 2.4891 5.1875 0.0000 H 0 0 0
- 2.7001 5.5509 0.0000 H 0 0 0
- 6.7232 3.2365 0.0000 H 0 0 0
- -3.0811 -6.4736 0.0000 H 0 0 0
- 0.2478 6.5433 0.0000 H 0 0 0
- 4.8349 6.5354 0.0000 H 0 0 0
- 2.5292 7.8684 0.0000 H 0 0 0
- 8.8264 4.6153 0.0000 H 0 0 0
- 7.5585 5.3539 0.0000 H 0 0 0
- -2.7970 -8.7535 0.0000 H 0 0 0
- -1.8589 5.5330 0.0000 H 0 0 0
- 6.7778 7.8295 0.0000 H 0 0 0
- 9.0771 1.8963 0.0000 H 0 0 0
- -5.1840 -7.6078 0.0000 H 0 0 0
- -5.0723 -8.2112 0.0000 H 0 0 0
- -2.1713 -10.9825 0.0000 H 0 0 0
- 0.2865 9.1587 0.0000 H 0 0 0
- -2.0436 7.8455 0.0000 H 0 0 0
- -2.0363 3.1831 0.0000 H 0 0 0
- -6.7724 -9.2957 0.0000 H 0 0 0
- -5.9614 -5.0205 0.0000 H 0 0 0
- -7.3489 -4.5428 0.0000 H 0 0 0
- -6.1964 -11.8253 0.0000 H 0 0 0
- -0.1354 7.1749 0.0000 H 0 0 0
- 2.4959 8.7257 0.0000 H 0 0 0
- 2.5302 10.1886 0.0000 H 0 0 0
- -4.1648 6.8544 0.0000 H 0 0 0
- -9.0156 -8.7660 0.0000 H 0 0 0
- -9.5482 -6.1244 0.0000 H 0 0 0
- -2.0581 10.4815 0.0000 H 0 0 0
- 0.3556 11.8439 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 6
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 6
- 7 14 1 0
- 8 15 1 1
- 9 16 2 0
- 11 17 1 0
- 12 18 1 0
- 15 19 1 0
- 17 20 1 0
- 17 21 1 0
- 17 22 1 1
- 19 23 1 0
- 19 24 1 6
- 21 25 1 0
- 21 26 2 0
- 23 27 1 6
- 23 28 1 0
- 24 29 1 0
- 30 25 1 1
- 27 31 1 0
- 28 32 1 0
- 28 33 1 1
- 29 34 1 1
- 30 35 1 0
- 30 36 1 0
- 31 37 1 1
- 31 38 1 0
- 32 39 1 0
- 34 40 1 0
- 35 41 1 0
- 36 42 1 0
- 36 43 1 0
- 37 44 1 0
- 38 45 1 0
- 38 46 1 6
- 41 47 1 0
- 41 48 1 1
- 42 49 1 1
- 44 50 1 0
- 44 51 1 1
- 45 52 1 1
- 47 53 1 0
- 48 54 1 0
- 50 55 1 6
- 51 56 1 0
- 8 9 1 0
- 8 14 1 0
- 10 11 1 0
- 18 20 1 0
- 29 32 1 0
- 42 47 1 0
- 45 50 1 0
- 2 57 1 0
- 3 58 1 0
- 3 59 1 0
- 4 60 1 0
- 4 61 1 0
- 5 62 1 0
- 5 63 1 0
- 7 64 1 0
- 7 65 1 0
- 10 66 1 0
- 10 67 1 0
- 11 68 1 0
- 12 69 1 0
- 12 70 1 0
- 13 71 1 0
- 13 72 1 0
- 13 73 1 0
- 14 74 1 0
- 14 75 1 0
- 16 76 1 0
- 16 77 1 0
- 18 78 1 0
- 18 79 1 0
- 19 80 1 0
- 20 81 1 0
- 20 82 1 0
- 22 83 1 0
- 22 84 1 0
- 22 85 1 0
- 23 86 1 0
- 28 87 1 0
- 29 88 1 0
- 30 89 1 0
- 31 90 1 0
- 32 91 1 0
- 33 92 1 0
- 34 93 1 0
- 34 94 1 0
- 36 95 1 0
- 38 96 1 0
- 39 97 1 0
- 40 98 1 0
- 41 99 1 0
- 42100 1 0
- 43101 1 0
- 44102 1 0
- 45103 1 0
- 46104 1 0
- 47105 1 0
- 48106 1 0
- 48107 1 0
- 49108 1 0
- 50109 1 0
- 51110 1 0
- 51111 1 0
- 52112 1 0
- 53113 1 0
- 54114 1 0
- 55115 1 0
- 56116 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98033-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.2447 -0.5468 -0.0664 C 0 0 0
- -1.2451 0.4196 -0.1456 C 0 0 0
- 1.1743 -0.1796 -0.0151 C 0 0 0
- -0.5926 -1.9163 -0.0281 C 0 0 0
- -2.5750 0.0418 -0.1967 C 0 0 0
- -1.1838 1.9336 -0.1833 C 0 0 0
- 2.1398 -1.2082 0.0670 C 0 0 0
- 1.5827 1.1543 -0.0468 C 0 0 0
- -1.9467 -2.2782 -0.0713 C 0 0 0
- 0.4213 -2.8983 0.0537 C 0 0 0
- -3.4111 1.1624 -0.2848 N 0 0 0
- -2.9081 -1.3203 -0.1600 C 0 0 0
- -2.6360 2.3435 0.1527 C 0 0 0
- 1.7262 -2.5605 0.0964 C 0 0 0
- 3.5002 -0.8710 0.1180 C 0 0 0
- 2.9293 1.4556 0.0035 C 0 0 0
- -4.4807 0.9697 0.7036 C 0 0 0
- 3.8792 0.4375 0.0869 C 0 0 0
- 3.3319 2.7531 -0.0272 O 0 0 0
- -0.1413 1.8093 0.0000 H 0 0 0
- -0.9784 2.9632 0.0000 H 0 0 0
- 0.8694 1.9247 0.0000 H 0 0 0
- -2.2178 -3.2925 0.0000 H 0 0 0
- 0.1534 -3.9134 0.0000 H 0 0 0
- -3.9189 -1.6041 0.0000 H 0 0 0
- -2.2495 3.3197 0.0000 H 0 0 0
- -3.5678 2.8273 0.0000 H 0 0 0
- 2.4523 -3.3189 0.0000 H 0 0 0
- 4.2280 -1.6277 0.0000 H 0 0 0
- -4.6669 2.0030 0.0000 H 0 0 0
- -5.5140 0.7835 0.0000 H 0 0 0
- -4.2945 -0.0636 0.0000 H 0 0 0
- 4.9004 0.6814 0.0000 H 0 0 0
- 3.6430 3.7558 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 15 18 2 0
- 16 19 1 0
- 9 12 2 0
- 10 14 2 0
- 11 13 1 0
- 16 18 1 0
- 6 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111901-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -1.2019 -0.1594 -0.2923 C 0 0 0
- -2.0458 -1.3803 -0.5141 C 0 0 2
- 0.1945 -0.2943 -0.2052 C 0 0 0
- -1.7635 1.0770 -0.1794 C 0 0 0
- -3.5019 -1.2667 -0.1071 C 0 0 1
- -2.5391 -1.9482 0.7003 O 0 0 0
- 0.9915 0.8545 -0.0093 C 0 0 0
- 0.8051 -1.5658 -0.3126 C 0 0 0
- -3.2609 1.2271 -0.2646 C 0 0 2
- -0.9740 2.2063 0.0164 C 0 0 0
- -3.9293 0.0701 0.4746 C 0 0 2
- 2.4468 0.6975 0.0698 C 0 0 0
- 0.3844 2.1067 0.1022 C 0 0 0
- 2.1436 -1.7108 -0.2394 C 0 0 0
- -3.6634 1.2157 -1.6357 O 0 0 0
- -3.5795 0.1208 1.8592 O 0 0 0
- 2.9967 -0.5986 -0.0508 C 0 0 0
- 3.2911 1.7929 0.2596 C 0 0 0
- 2.7436 -3.0879 -0.3606 C 0 0 0
- 4.3878 -0.7597 0.0187 C 0 0 0
- 4.6421 1.6028 0.3246 C 0 0 0
- 5.1872 0.3299 0.2035 C 0 0 0
- -1.2233 -2.0186 0.0000 H 0 0 0
- -4.3418 -1.8819 0.0000 H 0 0 0
- 0.2040 -2.4159 0.0000 H 0 0 0
- -3.2236 2.2676 0.0000 H 0 0 0
- -1.4210 3.1466 0.0000 H 0 0 0
- -4.9644 0.1815 0.0000 H 0 0 0
- 0.9691 2.9682 0.0000 H 0 0 0
- -4.7041 1.1862 0.0000 H 0 0 0
- -2.5491 0.2701 0.0000 H 0 0 0
- 2.8980 2.7570 0.0000 H 0 0 0
- 1.7891 -3.5038 0.0000 H 0 0 0
- 3.1595 -4.0424 0.0000 H 0 0 0
- 3.6981 -2.6720 0.0000 H 0 0 0
- 4.8040 -1.7140 0.0000 H 0 0 0
- 5.2746 2.4297 0.0000 H 0 0 0
- 6.2215 0.2113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 1 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 21 22 1 0
- 2 23 1 0
- 5 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97389-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.5722 -0.6252 -0.0017 C 0 0 0
- -0.8854 -0.5273 -0.0010 C 0 0 0
- 1.3243 0.5524 -0.0012 C 0 0 0
- 1.4412 -1.6616 0.0025 N 0 0 0
- -1.4813 0.7586 0.0002 C 0 0 0
- -1.6556 -1.6142 -0.0020 N 0 0 0
- 0.6895 1.7969 0.0000 C 0 0 0
- 2.6516 0.1596 -0.0016 N 0 0 0
- 2.6702 -1.2039 -0.0002 C 0 0 0
- -0.6632 1.9043 0.0012 C 0 0 0
- -2.8142 0.8639 0.0009 N 0 0 0
- -2.9650 -1.4857 -0.0017 C 0 0 0
- 1.5269 3.0499 0.0006 C 0 0 0
- 3.8194 1.0443 -0.0013 C 0 0 0
- 3.8087 -1.9832 0.0028 N 0 0 0
- -3.5544 -0.2225 0.0004 C 0 0 0
- -5.0565 -0.1009 0.0017 C 0 0 0
- -1.1014 2.8454 0.0000 H 0 0 0
- -3.5648 -2.3330 0.0000 H 0 0 0
- 2.3900 2.4731 0.0000 H 0 0 0
- 2.1037 3.9130 0.0000 H 0 0 0
- 0.6638 3.6267 0.0000 H 0 0 0
- 4.4463 0.2168 0.0000 H 0 0 0
- 4.6469 1.6712 0.0000 H 0 0 0
- 3.1925 1.8718 0.0000 H 0 0 0
- 3.7292 -3.0183 0.0000 H 0 0 0
- 4.7449 -1.5345 0.0000 H 0 0 0
- -4.9727 0.9339 0.0000 H 0 0 0
- -6.0913 -0.0171 0.0000 H 0 0 0
- -5.1403 -1.1357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 16 17 1 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-484-08-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.0140 -0.4256 -0.1012 C 0 0 0
- -1.2840 -1.0341 -0.1660 C 0 0 0
- 0.0698 0.9858 0.0070 C 0 0 0
- 1.1613 -1.1955 -0.1363 C 0 0 0
- -2.4018 -0.2052 -0.1197 C 0 0 0
- -1.4124 -2.3795 -0.2703 O 0 0 0
- -1.0394 1.7310 0.0467 N 0 0 0
- 1.3380 1.5910 0.0716 C 0 0 0
- 2.3751 -0.5776 -0.0713 C 0 0 0
- -2.2438 1.1929 -0.0114 C 0 0 0
- -3.8515 -0.4379 -0.1582 C 0 0 0
- -1.6035 -2.8801 1.0544 C 0 0 0
- 2.4621 0.8193 0.0297 C 0 0 0
- 3.5126 -1.3224 -0.1053 O 0 0 0
- -3.4833 1.7271 0.0112 O 0 0 0
- -4.4241 0.7688 -0.0750 C 0 0 0
- 3.6835 1.4114 0.0921 O 0 0 0
- 3.1084 -2.6890 -0.2102 C 0 0 0
- 3.4557 2.8184 0.1949 C 0 0 0
- 1.1056 -2.2166 0.0000 H 0 0 0
- 1.4179 2.6105 0.0000 H 0 0 0
- -4.3276 -1.3429 0.0000 H 0 0 0
- -2.5589 -2.5154 0.0000 H 0 0 0
- -1.9682 -3.8355 0.0000 H 0 0 0
- -0.6481 -3.2448 0.0000 H 0 0 0
- -5.4326 0.9383 0.0000 H 0 0 0
- 2.1278 -2.3990 0.0000 H 0 0 0
- 2.8184 -3.6696 0.0000 H 0 0 0
- 4.0890 -2.9790 0.0000 H 0 0 0
- 4.4652 2.9818 0.0000 H 0 0 0
- 3.2923 3.8279 0.0000 H 0 0 0
- 2.4462 2.6550 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 14 18 1 0
- 17 19 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 1 0
- 4 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 16 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 59 1 V2000
- -6.3094 0.4645 0.5940 C 0 0 0
- -7.3223 1.5134 0.1804 C 0 0 1
- -5.1795 1.1157 1.0706 C 0 0 0
- -6.3595 -0.9140 0.5561 C 0 0 0
- -6.4664 2.8107 0.1159 C 0 0 1
- -7.7325 1.2403 -1.2809 C 0 0 0
- -8.5077 1.6173 1.1421 C 0 0 0
- -5.3452 2.5071 1.0263 N 0 0 0
- -4.0929 0.3600 1.5088 C 0 0 0
- -5.2771 -1.6610 0.9969 C 0 0 0
- -5.9551 2.8477 -1.2757 N 0 0 0
- -7.0999 2.3844 -2.1008 C 0 0 0
- -4.1341 3.0568 0.4024 C 0 0 0
- -4.1442 -1.0173 1.4729 C 0 0 0
- -5.3254 -3.0198 0.9603 O 0 0 0
- -5.7398 4.2622 -1.6088 C 0 0 0
- -4.9744 -3.6760 -0.1619 C 0 0 0
- -5.1273 -5.0130 -0.2365 N 0 0 0
- -4.5199 -3.0627 -1.1074 O 0 0 0
- -4.7455 -5.7269 -1.4575 C 0 0 0
- 11.2154 -0.0388 0.0386 C 0 0 0
- 10.3093 0.9396 -0.3950 C 0 0 0
- 12.4266 0.3498 0.6171 C 0 0 0
- 10.8896 -1.4687 -0.1095 C 0 0 0
- 10.6241 2.2818 -0.2454 C 0 0 0
- 9.1306 0.5749 -0.9584 O 0 0 0
- 12.7226 1.6882 0.7577 C 0 0 0
- 11.8115 -2.4045 0.1909 O 0 0 0
- 9.7896 -1.8037 -0.5024 O 0 0 0
- 11.8247 2.6516 0.3281 C 0 0 0
- -7.2405 -1.3562 0.0000 H 0 0 0
- -6.9647 3.6613 0.0000 H 0 0 0
- -8.7085 1.3788 0.0000 H 0 0 0
- -7.5143 0.2790 0.0000 H 0 0 0
- -8.4216 2.5993 0.0000 H 0 0 0
- -9.4897 1.7034 0.0000 H 0 0 0
- -8.5938 0.6353 0.0000 H 0 0 0
- -3.2109 0.8002 0.0000 H 0 0 0
- -7.1865 3.3664 0.0000 H 0 0 0
- -8.0643 2.5885 0.0000 H 0 0 0
- -3.7267 2.1591 0.0000 H 0 0 0
- -3.2364 3.4642 0.0000 H 0 0 0
- -4.5415 3.9545 0.0000 H 0 0 0
- -3.3016 -1.5289 0.0000 H 0 0 0
- -4.7652 4.1139 0.0000 H 0 0 0
- -5.5915 5.2368 0.0000 H 0 0 0
- -6.7144 4.4105 0.0000 H 0 0 0
- -6.0956 -5.1978 0.0000 H 0 0 0
- -5.6148 -6.1918 0.0000 H 0 0 0
- -4.2806 -6.5962 0.0000 H 0 0 0
- -3.8762 -5.2620 0.0000 H 0 0 0
- 13.1552 -0.3142 0.0000 H 0 0 0
- 9.9036 2.9546 0.0000 H 0 0 0
- 8.1889 0.2835 0.0000 H 0 0 0
- 13.6736 1.9476 0.0000 H 0 0 0
- 12.5033 -3.1068 0.0000 H 0 0 0
- 12.0790 3.6040 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 15 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 1 0
- 21 22 1 0
- 21 23 2 0
- 21 24 1 0
- 22 25 2 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 24 29 2 0
- 25 30 1 0
- 5 8 1 0
- 10 14 1 0
- 11 12 1 0
- 27 30 2 0
- 4 31 1 0
- 5 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 7 37 1 0
- 9 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 16 45 1 0
- 16 46 1 0
- 16 47 1 0
- 18 48 1 0
- 20 49 1 0
- 20 50 1 0
- 20 51 1 0
- 23 52 1 0
- 25 53 1 0
- 26 54 1 0
- 27 55 1 0
- 28 56 1 0
- 30 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -2.7262 0.0001 0.0018 C 0 0 0
- -2.0302 -1.2022 0.0013 C 0 0 0
- -2.0304 1.2021 0.0014 C 0 0 0
- -4.1234 0.0001 -0.0032 N 0 0 0
- -0.6494 -1.1991 0.0005 C 0 0 0
- -0.6491 1.1989 0.0006 C 0 0 0
- 0.0412 0.0001 0.0002 C 0 0 0
- 1.9322 0.0000 -0.0003 Br 0 0 0
- -2.5486 -2.1035 0.0000 H 0 0 0
- -2.5487 2.1035 0.0000 H 0 0 0
- -4.6433 0.9006 0.0000 H 0 0 0
- -4.6433 -0.9004 0.0000 H 0 0 0
- -0.1280 -2.0987 0.0000 H 0 0 0
- -0.1277 2.0985 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80984-66-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 35 1 V2000
- 0.7424 0.0001 -0.0026 C 0 0 0
- -0.7427 -0.0002 -0.0020 C 0 0 0
- 1.4691 1.1789 0.1784 C 0 0 0
- 1.4693 -1.1789 -0.1785 C 0 0 0
- -1.4696 1.1780 0.1788 C 0 0 0
- -1.4693 -1.1793 -0.1817 C 0 0 0
- 0.7656 2.4998 0.3820 C 0 0 0
- 2.8495 1.1772 0.1770 C 0 0 0
- 0.7666 -2.5014 -0.3739 C 0 0 0
- 2.8501 -1.1761 -0.1802 C 0 0 0
- -0.7669 2.4994 0.3819 C 0 0 0
- -2.8504 1.1755 0.1786 C 0 0 0
- -0.7659 -2.5005 -0.3837 C 0 0 0
- -2.8497 -1.1774 -0.1813 C 0 0 0
- -0.0007 2.8324 -0.8263 N 0 0 0
- 3.5503 0.0009 -0.0046 C 0 0 0
- 0.0024 -2.8281 0.8375 N 0 0 0
- -3.5506 -0.0010 -0.0012 C 0 0 0
- 1.4681 3.2607 0.0000 H 0 0 0
- 3.3617 2.0773 0.0000 H 0 0 0
- 1.4673 -3.2639 0.0000 H 0 0 0
- 3.3629 -2.0758 0.0000 H 0 0 0
- -1.4698 3.2599 0.0000 H 0 0 0
- -3.3631 2.0753 0.0000 H 0 0 0
- -1.4660 -3.2636 0.0000 H 0 0 0
- -3.3620 -2.0774 0.0000 H 0 0 0
- -0.0010 3.8680 0.0000 H 0 0 0
- 4.5859 0.0012 0.0000 H 0 0 0
- 0.0029 -3.8637 0.0000 H 0 0 0
- -4.5862 -0.0012 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 12 18 2 0
- 7 11 1 0
- 9 13 1 0
- 10 16 2 0
- 11 15 1 0
- 13 17 1 0
- 14 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27108-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 12 1 V2000
- -3.1755 -0.0492 0.0285 C 0 0 0
- -4.0769 0.9188 0.2870 N 0 0 0
- -2.0392 -0.1203 0.7473 O 0 0 0
- -3.3905 -0.8608 -0.8499 O 0 0 0
- -5.3133 0.9962 -0.4950 C 0 0 0
- -1.1671 -1.0569 0.4972 N 0 0 0
- 7.3990 0.1766 -0.1056 Cl 0 0 0
- -3.6797 1.7587 0.0000 H 0 0 0
- -5.2552 1.9235 0.0000 H 0 0 0
- -6.2406 1.0543 0.0000 H 0 0 0
- -5.3714 0.0689 0.0000 H 0 0 0
- -1.4394 -1.9452 0.0000 H 0 0 0
- -0.2616 -0.8486 0.0000 H 0 0 0
- 8.3281 0.1766 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 2 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 1.7425 0.0057 -0.0014 C 0 0 0
- 0.4590 0.4168 -0.0004 N 0 0 0
- 2.7403 0.9117 -0.0006 N 0 0 0
- 2.0001 -1.1813 0.0020 O 0 0 0
- -0.4590 -0.4168 -0.0011 N 0 0 0
- -1.7425 -0.0057 -0.0001 C 0 0 0
- -2.7403 -0.9117 -0.0009 N 0 0 0
- -2.0001 1.1813 0.0016 O 0 0 0
- 3.7029 0.6034 0.0000 H 0 0 0
- 2.5260 1.8995 0.0000 H 0 0 0
- -3.7029 -0.6034 0.0000 H 0 0 0
- -2.5260 -1.8995 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 5 6 1 0
- 6 7 1 0
- 6 8 2 0
- 3 9 1 0
- 3 10 1 0
- 7 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-294-93-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 1.0174 -2.1251 -0.4072 C 0 0 0
- -0.2590 -2.3393 0.4086 C 0 0 0
- 1.9649 -1.3942 0.3739 O 0 0 0
- -1.3936 -1.9630 -0.3744 O 0 0 0
- 2.3534 -0.2597 -0.4033 C 0 0 0
- -2.1378 -1.0223 0.4022 C 0 0 0
- 2.1246 1.0170 0.4083 C 0 0 0
- -2.3427 0.2592 -0.4082 C 0 0 0
- 1.3882 1.9557 -0.3781 O 0 0 0
- -1.9551 1.3874 0.3786 O 0 0 0
- 0.2599 2.3538 0.4032 C 0 0 0
- -1.0217 2.1352 -0.4035 C 0 0 0
- 0.8444 -3.0067 0.0000 H 0 0 0
- 1.7816 -2.5976 0.0000 H 0 0 0
- -0.8251 -3.0370 0.0000 H 0 0 0
- 0.1934 -3.1155 0.0000 H 0 0 0
- 3.0495 -0.8277 0.0000 H 0 0 0
- 3.1277 0.1959 0.0000 H 0 0 0
- -3.0192 -0.8484 0.0000 H 0 0 0
- -2.6060 -1.7891 0.0000 H 0 0 0
- 3.0079 0.8529 0.0000 H 0 0 0
- 2.5901 1.7855 0.0000 H 0 0 0
- -3.0348 0.8320 0.0000 H 0 0 0
- -3.1228 -0.1864 0.0000 H 0 0 0
- 0.8341 3.0448 0.0000 H 0 0 0
- -0.1890 3.1321 0.0000 H 0 0 0
- -0.8557 3.0182 0.0000 H 0 0 0
- -1.7920 2.5976 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-207-08-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -1.9852 -0.0002 0.0025 C 0 0 0
- -1.2040 -1.1603 0.0032 C 0 0 0
- -1.2038 1.1602 0.0032 C 0 0 0
- -3.3833 0.0001 -0.0042 C 0 0 0
- 0.2042 -0.7138 0.0038 C 0 0 0
- -1.8785 -2.3695 0.0028 C 0 0 0
- 0.2043 0.7134 0.0037 C 0 0 0
- -1.8777 2.3692 0.0023 C 0 0 0
- -4.0301 -1.2472 -0.0098 C 0 0 0
- -4.0299 1.2480 -0.0053 C 0 0 0
- 1.3973 -1.4060 0.0041 C 0 0 0
- -3.2723 -2.3862 0.0015 C 0 0 0
- 1.3973 1.4058 0.0034 C 0 0 0
- -3.2720 2.3864 -0.0002 C 0 0 0
- 2.6158 -0.7097 0.0015 C 0 0 0
- 2.6158 0.7094 0.0013 C 0 0 0
- 3.8420 -1.3975 -0.0016 C 0 0 0
- 3.8419 1.3975 -0.0016 C 0 0 0
- 5.0091 -0.6966 -0.0058 C 0 0 0
- 5.0091 0.6968 -0.0047 C 0 0 0
- -1.3420 -3.2707 0.0000 H 0 0 0
- -1.3409 3.2702 0.0000 H 0 0 0
- -5.0773 -1.3042 0.0000 H 0 0 0
- -5.0771 1.3053 0.0000 H 0 0 0
- 1.3939 -2.4548 0.0000 H 0 0 0
- -3.7621 -3.3136 0.0000 H 0 0 0
- 1.3938 2.4546 0.0000 H 0 0 0
- -3.7614 3.3140 0.0000 H 0 0 0
- 3.8575 -2.4462 0.0000 H 0 0 0
- 3.8572 2.4462 0.0000 H 0 0 0
- 5.9218 -1.2131 0.0000 H 0 0 0
- 5.9218 1.2134 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 16 18 2 0
- 17 19 1 0
- 18 20 1 0
- 5 7 1 0
- 9 12 1 0
- 10 14 2 0
- 15 16 1 0
- 19 20 2 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36167-69-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- -5.8502 -1.3429 -0.4549 C 0 0 0
- -6.5343 -1.7397 0.7137 C 0 0 0
- -4.7826 -2.1448 -0.8935 C 0 0 0
- -6.2211 -0.2075 -1.1480 N 0 0 0
- -6.1331 -2.9129 1.3987 C 0 0 0
- -7.5589 -1.0094 1.1736 N 0 0 0
- -4.4320 -3.3427 -0.1266 C 0 0 0
- -4.0439 -1.8288 -2.0466 C 0 0 0
- -5.6207 0.9326 -0.4425 C 0 0 0
- -5.1182 -3.6596 0.9674 N 0 0 0
- -6.8373 -3.2878 2.5689 C 0 0 0
- -8.2130 -1.3552 2.2583 C 0 0 0
- -3.3598 -4.1385 -0.5763 C 0 0 0
- -3.0201 -2.6388 -2.4280 C 0 0 0
- -5.9937 2.2308 -1.1612 C 0 0 0
- -7.8687 -2.5048 2.9846 C 0 0 0
- -9.2435 -0.5840 2.6860 O 0 0 0
- -2.6826 -3.7797 -1.7001 C 0 0 0
- -5.3684 3.4182 -0.4264 C 0 0 0
- -9.3589 0.5003 1.7624 C 0 0 0
- -1.3631 -4.7685 -2.2432 Cl 0 0 0
- -5.7265 4.6647 -1.1164 N 0 0 0
- -5.0983 5.7590 -0.3643 C 0 0 0
- -5.4323 7.0944 -1.0322 C 0 0 0
- -4.6613 8.4376 -0.1091 Cl 0 0 0
- 11.4633 -0.3709 0.9573 O 0 0 0
- 20.1032 0.0763 0.5675 Cl 0 0 0
- 28.7432 0.5235 0.1777 Cl 0 0 0
- -7.1627 -0.1278 0.0000 H 0 0 0
- -3.9190 -0.8921 0.0000 H 0 0 0
- -4.9315 0.2861 0.0000 H 0 0 0
- -4.8144 1.4254 0.0000 H 0 0 0
- -6.9129 -4.2298 0.0000 H 0 0 0
- -3.4312 -5.0808 0.0000 H 0 0 0
- -2.2373 -2.1095 0.0000 H 0 0 0
- -6.6829 2.8773 0.0000 H 0 0 0
- -6.8000 1.7380 0.0000 H 0 0 0
- -8.6453 -3.0432 0.0000 H 0 0 0
- -4.6792 2.7716 0.0000 H 0 0 0
- -4.5620 3.9110 0.0000 H 0 0 0
- -8.4192 0.6003 0.0000 H 0 0 0
- -9.4589 1.4400 0.0000 H 0 0 0
- -10.2986 0.4003 0.0000 H 0 0 0
- -6.6646 4.7785 0.0000 H 0 0 0
- -4.4327 5.0882 0.0000 H 0 0 0
- -4.2751 6.2230 0.0000 H 0 0 0
- -6.0979 7.7652 0.0000 H 0 0 0
- -6.2555 6.6304 0.0000 H 0 0 0
- 10.5183 -0.3709 0.0000 H 0 0 0
- 12.4083 -0.3709 0.0000 H 0 0 0
- 21.0482 0.0763 0.0000 H 0 0 0
- 29.6882 0.5235 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 15 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 7 10 2 0
- 12 16 1 0
- 14 18 1 0
- 4 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 11 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 20 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 26 49 1 0
- 26 50 1 0
- 27 51 1 0
- 28 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92339-11-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-106107 1 V2000
- -1.9140 -2.6604 -0.0644 C 0 0 0
- -1.8799 -3.6401 -1.0647 N 0 0 0
- -3.1198 -2.0687 0.2839 C 0 0 0
- -0.7432 -2.2881 0.5796 C 0 0 0
- -1.4546 -3.2872 -2.4214 C 0 0 0
- -2.2382 -4.9075 -0.7790 C 0 0 0
- -3.1578 -1.0916 1.2813 C 0 0 0
- -4.8855 -2.6421 -0.6869 I 0 0 0
- -0.7734 -1.3111 1.5779 C 0 0 0
- 1.0724 -3.1923 0.0551 I 0 0 0
- -1.1832 -1.7833 -2.4958 C 0 0 0
- -1.2079 -6.0069 -0.8091 C 0 0 0
- -3.3900 -5.1634 -0.4978 O 0 0 0
- -1.9821 -0.7106 1.9269 C 0 0 0
- -4.4424 -0.4621 1.6516 C 0 0 0
- 0.4745 -0.9148 2.2631 C 0 0 0
- 0.0260 -1.5273 -3.3976 C 0 0 0
- -2.3280 -1.1187 -3.0341 O 0 0 0
- -2.0333 0.7543 3.4237 I 0 0 0
- -4.8544 0.6528 1.0161 N 0 0 0
- -5.1276 -0.9498 2.5293 O 0 0 0
- 0.8648 -1.5611 3.3795 N 0 0 0
- 1.1490 -0.0058 1.8198 O 0 0 0
- 0.2774 -0.0864 -3.4799 N 0 0 0
- -6.1279 1.2769 1.3832 C 0 0 0
- 2.1019 -1.1682 4.0587 C 0 0 0
- 1.0407 0.5488 -2.4924 C 0 0 0
- -0.2258 0.6280 -4.5061 C 0 0 0
- -6.3564 2.5172 0.5169 C 0 0 0
- 2.3116 -2.0535 5.2888 C 0 0 0
- 2.3564 0.1628 -2.2795 C 0 0 0
- 0.4814 1.5662 -1.7333 C 0 0 0
- 0.0328 2.1102 -4.5907 C 0 0 0
- -0.8869 0.0779 -5.3613 O 0 0 0
- -7.6865 3.1691 0.9003 C 0 0 0
- -5.2921 3.4475 0.7269 O 0 0 0
- 3.6036 -1.6432 5.9982 C 0 0 0
- 1.2074 -1.8971 6.1822 O 0 0 0
- 3.1208 0.7940 -1.2955 C 0 0 0
- 3.1972 -1.3692 -3.4350 I 0 0 0
- 1.2401 2.2029 -0.7478 C 0 0 0
- -1.5032 2.1494 -2.0655 I 0 0 0
- -7.8998 4.3275 0.0912 O 0 0 0
- 3.7995 -2.4701 7.1470 O 0 0 0
- 2.5603 1.8135 -0.5269 C 0 0 0
- 4.5215 0.3815 -1.0689 C 0 0 0
- 0.6437 3.2872 0.0597 C 0 0 0
- 3.7021 2.7637 0.9504 I 0 0 0
- 4.8017 -0.5939 -0.1820 N 0 0 0
- 5.4211 0.9220 -1.6824 O 0 0 0
- 0.7339 4.5657 -0.3574 N 0 0 0
- 0.0716 3.0262 1.1000 O 0 0 0
- 6.1904 -1.0028 0.0426 C 0 0 0
- 0.1426 5.6408 0.4431 C 0 0 0
- 6.2307 -2.1182 1.0892 C 0 0 0
- 0.3844 6.9838 -0.2487 C 0 0 0
- 7.6810 -2.5453 1.3238 C 0 0 0
- 5.6702 -1.6421 2.3145 O 0 0 0
- -0.2332 8.1066 0.5873 C 0 0 0
- 1.7899 7.2057 -0.3801 O 0 0 0
- 7.7186 -3.5870 2.3013 O 0 0 0
- -0.0074 9.3610 -0.0588 O 0 0 0
- -1.0843 -4.1576 0.0000 H 0 0 0
- -0.5146 -3.1816 0.0000 H 0 0 0
- -1.0337 -0.8493 0.0000 H 0 0 0
- -1.8981 -6.6537 0.0000 H 0 0 0
- -0.5611 -6.6971 0.0000 H 0 0 0
- -0.5177 -5.3601 0.0000 H 0 0 0
- 0.1030 -2.4700 0.0000 H 0 0 0
- 0.9709 -1.5704 0.0000 H 0 0 0
- -3.1460 -0.6438 0.0000 H 0 0 0
- -4.1524 1.2868 0.0000 H 0 0 0
- 0.5316 -2.4463 0.0000 H 0 0 0
- -7.0733 1.3057 0.0000 H 0 0 0
- -6.3555 0.3588 0.0000 H 0 0 0
- 3.0166 -0.9273 0.0000 H 0 0 0
- 1.8382 -0.2598 0.0000 H 0 0 0
- -7.1102 1.9458 0.0000 H 0 0 0
- 2.3904 -2.9961 0.0000 H 0 0 0
- 0.9646 1.9476 0.0000 H 0 0 0
- 0.1954 3.0420 0.0000 H 0 0 0
- -0.8990 2.2728 0.0000 H 0 0 0
- -8.6319 3.1980 0.0000 H 0 0 0
- -7.9142 2.2510 0.0000 H 0 0 0
- -4.5799 4.0700 0.0000 H 0 0 0
- 4.5183 -1.4022 0.0000 H 0 0 0
- 3.3399 -0.7348 0.0000 H 0 0 0
- 0.2709 -1.7644 0.0000 H 0 0 0
- -8.0711 5.2577 0.0000 H 0 0 0
- 4.0176 -3.3905 0.0000 H 0 0 0
- 4.1307 -1.2605 0.0000 H 0 0 0
- 1.6578 4.7686 0.0000 H 0 0 0
- 7.1339 -1.0703 0.0000 H 0 0 0
- 6.3587 -0.0720 0.0000 H 0 0 0
- -0.6987 6.0732 0.0000 H 0 0 0
- -0.5168 4.9626 0.0000 H 0 0 0
- 5.7811 -2.9504 0.0000 H 0 0 0
- -0.5490 6.8309 0.0000 H 0 0 0
- 8.6245 -2.6128 0.0000 H 0 0 0
- 7.8493 -1.6145 0.0000 H 0 0 0
- 4.9493 -1.0297 0.0000 H 0 0 0
- -1.0745 8.5389 0.0000 H 0 0 0
- -0.8925 7.4284 0.0000 H 0 0 0
- 2.7242 7.3532 0.0000 H 0 0 0
- 7.7527 -4.5323 0.0000 H 0 0 0
- 0.1602 10.2919 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
- 14 19 1 0
- 15 20 1 0
- 15 21 2 0
- 16 22 1 0
- 16 23 2 0
- 17 24 1 0
- 20 25 1 0
- 22 26 1 0
- 24 27 1 0
- 24 28 1 0
- 25 29 1 0
- 26 30 1 0
- 27 31 1 0
- 27 32 2 0
- 28 33 1 0
- 28 34 2 0
- 29 35 1 0
- 29 36 1 0
- 30 37 1 0
- 30 38 1 0
- 31 39 2 0
- 31 40 1 0
- 32 41 1 0
- 32 42 1 0
- 35 43 1 0
- 37 44 1 0
- 39 45 1 0
- 39 46 1 0
- 41 47 1 0
- 45 48 1 0
- 46 49 1 0
- 46 50 2 0
- 47 51 1 0
- 47 52 2 0
- 49 53 1 0
- 51 54 1 0
- 53 55 1 0
- 54 56 1 0
- 55 57 1 0
- 55 58 1 0
- 56 59 1 0
- 56 60 1 0
- 57 61 1 0
- 59 62 1 0
- 9 14 2 0
- 41 45 2 0
- 5 63 1 0
- 5 64 1 0
- 11 65 1 0
- 12 66 1 0
- 12 67 1 0
- 12 68 1 0
- 17 69 1 0
- 17 70 1 0
- 18 71 1 0
- 20 72 1 0
- 22 73 1 0
- 25 74 1 0
- 25 75 1 0
- 26 76 1 0
- 26 77 1 0
- 29 78 1 0
- 30 79 1 0
- 33 80 1 0
- 33 81 1 0
- 33 82 1 0
- 35 83 1 0
- 35 84 1 0
- 36 85 1 0
- 37 86 1 0
- 37 87 1 0
- 38 88 1 0
- 43 89 1 0
- 44 90 1 0
- 49 91 1 0
- 51 92 1 0
- 53 93 1 0
- 53 94 1 0
- 54 95 1 0
- 54 96 1 0
- 55 97 1 0
- 56 98 1 0
- 57 99 1 0
- 57100 1 0
- 58101 1 0
- 59102 1 0
- 59103 1 0
- 60104 1 0
- 61105 1 0
- 62106 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122587-22-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.0107 -0.3491 0.0037 C 0 0 0
- -0.0856 -1.3326 0.0031 O 0 0 0
- -0.3437 0.8568 0.0018 C 0 0 0
- -2.4623 -0.5313 0.0005 C 0 0 0
- 1.1402 -0.7927 0.0009 C 0 0 0
- 1.0285 0.5542 0.0000 C 0 0 0
- -1.0584 2.4389 0.0017 Cl 0 0 0
- -2.9862 -1.7746 -0.0030 O 0 0 0
- -3.1969 0.4383 0.0010 O 0 0 0
- 2.4124 -1.5494 0.0005 N 0 3 0
- 2.3357 1.6966 -0.0032 Cl 0 0 0
- -4.4072 -1.6240 -0.0054 C 0 0 0
- 2.3966 -2.7673 0.0019 O 0 0 0
- 3.4750 -0.9541 -0.0011 O 0 5 0
- -4.2993 -0.6061 0.0000 H 0 0 0
- -5.4251 -1.5161 0.0000 H 0 0 0
- -4.5151 -2.6419 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 2 0
- 10 14 1 0
- 5 6 2 0
- 12 15 1 0
- 12 16 1 0
- 12 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.1476 0.0152 -0.0688 C 0 0 0
- -0.3927 -1.1333 -0.7044 C 0 0 0
- -0.5790 1.2173 0.0333 N 0 0 0
- -2.2749 -0.1572 0.3441 O 0 0 0
- 0.7246 -1.5660 0.2481 C 0 0 0
- 0.7838 1.4430 -0.4751 C 0 0 0
- 1.9623 -0.7101 0.0489 C 0 0 0
- 1.7757 0.7406 0.4541 C 0 0 0
- -1.3715 -1.3984 0.0000 H 0 0 0
- -0.4459 -2.1460 0.0000 H 0 0 0
- -1.1899 2.0267 0.0000 H 0 0 0
- 0.1789 -2.4207 0.0000 H 0 0 0
- 1.4547 -2.2698 0.0000 H 0 0 0
- 1.5652 2.0894 0.0000 H 0 0 0
- 0.3633 2.3658 0.0000 H 0 0 0
- 2.3997 -1.6250 0.0000 H 0 0 0
- 2.9349 -0.4231 0.0000 H 0 0 0
- 2.7825 0.6191 0.0000 H 0 0 0
- 2.1406 1.6867 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-879-39-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.2011 0.8745 0.0031 C 0 0 0
- -1.0021 -0.4942 0.0020 C 0 0 0
- -0.1163 1.7314 0.0028 C 0 0 0
- -2.5762 1.4221 -0.0017 N 0 3 0
- 0.2842 -1.0069 0.0007 C 0 0 0
- -2.3650 -1.5695 0.0029 Cl 0 0 0
- 1.1692 1.2210 0.0015 C 0 0 0
- -2.7518 2.6274 -0.0008 O 0 0 0
- -3.5322 0.6674 -0.0065 O 0 5 0
- 1.3702 -0.1490 0.0004 C 0 0 0
- 0.5344 -2.7248 -0.0012 Cl 0 0 0
- 2.5308 2.2979 0.0005 Cl 0 0 0
- 2.9834 -0.7902 -0.0018 Cl 0 0 0
- -0.2667 2.7590 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
- 7 10 1 0
- 3 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21846-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.4038 -0.6277 0.0098 C 0 0 0
- -1.0799 -0.6076 0.0007 C 0 0 0
- 0.8861 0.6637 -0.1833 C 0 0 0
- 1.3074 -1.6787 0.1776 C 0 0 0
- -1.5248 0.6963 -0.1981 C 0 0 0
- -2.0137 -1.6346 0.1520 C 0 0 0
- -0.3063 1.5774 -0.3262 C 0 0 0
- 2.2442 0.9010 -0.2132 C 0 0 0
- 2.6641 -1.4323 0.1446 C 0 0 0
- -2.8754 0.9702 -0.2450 C 0 0 0
- -3.3626 -1.3513 0.1037 C 0 0 0
- -0.2994 2.6059 0.8065 C 0 0 0
- 3.1340 -0.1459 -0.0510 C 0 0 0
- -3.7952 -0.0523 -0.0943 C 0 0 0
- 4.6177 0.1160 -0.0840 C 0 0 0
- 0.9621 -2.6532 0.0000 H 0 0 0
- -1.6954 -2.6183 0.0000 H 0 0 0
- 0.6223 2.0319 0.0000 H 0 0 0
- 2.5955 1.8734 0.0000 H 0 0 0
- 3.3302 -2.2230 0.0000 H 0 0 0
- -3.1997 1.9519 0.0000 H 0 0 0
- -4.0507 -2.1230 0.0000 H 0 0 0
- 0.7345 2.5990 0.0000 H 0 0 0
- -0.2925 3.6398 0.0000 H 0 0 0
- -1.3333 2.6128 0.0000 H 0 0 0
- -4.8073 0.1587 0.0000 H 0 0 0
- 4.7974 -0.9022 0.0000 H 0 0 0
- 5.6359 0.2957 0.0000 H 0 0 0
- 4.4380 1.1342 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 1 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39638-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.7259 0.5650 -0.3710 C 0 0 1
- -0.7049 0.2788 -0.2396 N 0 0 0
- 1.3227 0.8679 1.0271 C 0 0 1
- 1.4205 -0.6324 -0.7814 O 0 0 0
- -1.6031 1.0488 -0.8804 C 0 0 0
- -1.1200 -0.7719 0.5284 C 0 0 0
- 2.8061 0.4666 0.8403 C 0 0 1
- 1.2378 2.2704 1.2875 O 0 0 0
- 2.7905 -0.4838 -0.3726 C 0 0 1
- -2.9097 0.8125 -0.7795 N 0 0 0
- -1.2136 1.9802 -1.5656 O 0 0 0
- -2.4481 -1.0253 0.6411 C 0 0 0
- 3.5777 1.6275 0.5258 O 0 0 0
- 3.3501 -1.8467 0.0401 C 0 0 0
- -3.3628 -0.1920 -0.0419 C 0 0 0
- -2.8923 -2.0655 1.3992 O 0 0 0
- 3.3172 -2.7340 -1.0795 O 0 0 0
- -4.7162 -0.4252 0.0538 N 0 0 0
- 0.3999 1.5060 0.0000 H 0 0 0
- 1.4248 -0.1227 0.0000 H 0 0 0
- -0.4849 -1.5390 0.0000 H 0 0 0
- 3.7570 0.1709 0.0000 H 0 0 0
- 1.1776 3.2644 0.0000 H 0 0 0
- 3.7691 -0.2991 0.0000 H 0 0 0
- 4.1289 2.4569 0.0000 H 0 0 0
- 4.2600 -2.2513 0.0000 H 0 0 0
- 4.0643 -1.1528 0.0000 H 0 0 0
- -3.2834 -2.9813 0.0000 H 0 0 0
- 3.2803 -3.7292 0.0000 H 0 0 0
- -5.3533 0.3402 0.0000 H 0 0 0
- -5.0604 -1.3597 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 7 9 1 0
- 12 15 1 0
- 1 19 1 0
- 3 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-97-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.6008 0.0019 -0.4509 C 0 0 0
- 1.2465 -1.1965 -0.2091 C 0 0 0
- 1.2485 1.1978 -0.2048 C 0 0 0
- -0.8070 0.0042 -0.9886 C 0 0 0
- 2.5397 -1.1986 0.2786 C 0 0 0
- 2.5421 1.1957 0.2831 C 0 0 0
- -1.7981 -0.0005 0.1770 C 0 0 0
- 3.1876 -0.0023 0.5247 C 0 0 0
- -3.2274 0.0018 -0.3689 C 0 0 0
- -4.1531 -0.0026 0.7197 O 0 0 0
- 0.7228 -2.0720 0.0000 H 0 0 0
- 0.7271 2.0747 0.0000 H 0 0 0
- -0.2973 0.8880 0.0000 H 0 0 0
- -1.3194 0.8864 0.0000 H 0 0 0
- 3.0611 -2.0755 0.0000 H 0 0 0
- 3.0658 2.0712 0.0000 H 0 0 0
- -2.3077 -0.8843 0.0000 H 0 0 0
- -1.2857 -0.8827 0.0000 H 0 0 0
- 4.2078 -0.0034 0.0000 H 0 0 0
- -2.7178 0.8856 0.0000 H 0 0 0
- -3.7398 0.8840 0.0000 H 0 0 0
- -5.1733 -0.0074 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-41840-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 3.9655 0.0614 0.0347 C 0 0 0
- 2.7759 -0.7638 -0.0763 O 0 0 0
- 3.9040 0.8729 1.3303 C 0 0 0
- 5.2068 -0.8329 0.0515 C 0 0 0
- 4.0390 1.0136 -1.1606 C 0 0 0
- 1.5564 -0.1928 -0.0601 C 0 0 0
- 0.1117 -1.2012 -0.0341 S 0 0 0
- 1.4523 1.0179 -0.0635 O 0 0 0
- -1.4839 -0.4541 -0.0129 C 0 0 0
- -2.5591 -1.2270 0.0066 N 0 0 0
- -1.5791 0.8670 -0.0114 N 0 0 0
- -3.7717 -0.6985 0.0233 C 0 0 0
- -2.7612 1.4597 0.0047 C 0 0 0
- -3.9080 0.6807 0.0202 C 0 0 0
- -4.9899 -1.5853 0.0449 C 0 0 0
- -2.8605 2.9635 0.0068 C 0 0 0
- 4.9257 0.9503 0.0000 H 0 0 0
- 3.8266 1.8946 0.0000 H 0 0 0
- 2.8823 0.7955 0.0000 H 0 0 0
- 4.6078 -1.6643 0.0000 H 0 0 0
- 6.0382 -1.4319 0.0000 H 0 0 0
- 5.8058 -0.0015 0.0000 H 0 0 0
- 5.0606 0.9347 0.0000 H 0 0 0
- 4.1179 2.0352 0.0000 H 0 0 0
- 3.0174 1.0925 0.0000 H 0 0 0
- -4.8360 1.1151 0.0000 H 0 0 0
- -5.5930 -0.7569 0.0000 H 0 0 0
- -5.8183 -2.1884 0.0000 H 0 0 0
- -4.3868 -2.4137 0.0000 H 0 0 0
- -1.8380 3.0310 0.0000 H 0 0 0
- -2.9280 3.9860 0.0000 H 0 0 0
- -3.8830 2.8960 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 1 0
- 9 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 2 0
- 12 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 14 1 0
- 3 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 5 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32740-01-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- 0.5054 0.0295 0.0033 C 0 0 0
- 0.1662 -1.3484 0.0003 C 0 0 0
- 1.9279 0.4066 0.0024 C 0 0 0
- -0.4256 0.9708 0.0013 N 0 0 0
- -1.1745 -1.7363 0.0010 C 0 0 0
- 1.2193 -2.3612 -0.0038 C 0 0 0
- 2.9130 -0.6023 -0.0013 C 0 0 0
- 2.3120 1.7493 0.0046 C 0 0 0
- -1.7213 0.6702 -0.0032 C 0 0 0
- -2.1480 -0.7318 0.0045 C 0 0 0
- -1.5614 -3.1928 -0.0026 C 0 0 0
- 2.5196 -2.0085 -0.0046 C 0 0 0
- 4.2667 -0.2403 -0.0022 C 0 0 0
- 3.6496 2.0740 0.0032 C 0 0 0
- -2.7098 1.6734 -0.0058 C 0 0 0
- -3.5232 -1.0291 0.0058 C 0 0 0
- 4.6184 1.0784 0.0005 C 0 0 0
- -4.0228 1.3217 -0.0109 C 0 0 0
- -2.3144 3.1275 -0.0025 C 0 0 0
- -4.4262 -0.0123 0.0098 C 0 0 0
- 0.9592 -3.3776 0.0000 H 0 0 0
- 1.5853 2.5060 0.0000 H 0 0 0
- -2.5754 -2.9235 0.0000 H 0 0 0
- -1.8307 -4.2068 0.0000 H 0 0 0
- -0.5474 -3.4621 0.0000 H 0 0 0
- 3.2585 -2.7533 0.0000 H 0 0 0
- 5.0088 -0.9819 0.0000 H 0 0 0
- 3.9400 3.0821 0.0000 H 0 0 0
- -3.8491 -2.0263 0.0000 H 0 0 0
- 5.6334 1.3436 0.0000 H 0 0 0
- -4.7527 2.0753 0.0000 H 0 0 0
- -1.3020 2.8522 0.0000 H 0 0 0
- -2.0391 4.1399 0.0000 H 0 0 0
- -3.3268 3.4028 0.0000 H 0 0 0
- -5.4509 -0.2374 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 20 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-10-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.9624 0.2664 -0.0009 C 0 0 0
- -0.4700 0.6046 0.0001 C 0 0 0
- 1.9242 1.2815 0.0004 C 0 0 0
- 1.3687 -1.0720 0.0028 C 0 0 0
- -1.3950 -0.3775 -0.0011 C 0 0 0
- 3.2644 0.9564 -0.0005 C 0 0 0
- 2.7123 -1.3807 0.0019 C 0 0 0
- -2.8182 -0.0415 -0.0002 C 0 0 0
- 3.6584 -0.3702 -0.0027 C 0 0 0
- -3.7431 -1.0235 -0.0014 O 0 0 0
- -3.1680 1.1234 0.0016 O 0 0 0
- -0.7685 1.5986 0.0000 H 0 0 0
- 1.6302 2.2769 0.0000 H 0 0 0
- 0.6605 -1.8307 0.0000 H 0 0 0
- -1.0965 -1.3715 0.0000 H 0 0 0
- 3.9795 1.7087 0.0000 H 0 0 0
- 3.0153 -2.3734 0.0000 H 0 0 0
- 4.6685 -0.6087 0.0000 H 0 0 0
- -4.4547 -1.7790 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 7 9 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32306-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -2.0666 -0.1577 -0.0360 C 0 0 0
- -3.5436 -0.1050 0.0093 C 0 0 0
- -1.2314 -0.5977 0.9521 C 0 0 0
- -1.2769 0.2124 -1.0603 O 0 0 0
- -4.2232 0.9832 -0.5404 C 0 0 0
- -4.2642 -1.1455 0.5967 C 0 0 0
- 0.0621 -0.4363 0.3994 C 0 0 0
- -0.1070 0.0529 -0.8007 N 0 0 0
- -5.6012 1.0263 -0.4948 C 0 0 0
- -5.6424 -1.0901 0.6357 C 0 0 0
- 1.2440 -0.7347 0.9963 O 0 0 0
- -6.3096 -0.0061 0.0942 C 0 0 0
- 2.4039 -0.3643 -0.0571 P 0 0 0
- 2.3238 1.2036 -0.4142 O 0 0 0
- 3.8410 -0.6948 0.5890 O 0 0 0
- 2.2226 -1.1612 -1.2910 O 0 0 0
- 2.3386 1.9112 0.8272 C 0 0 0
- 4.8088 -0.5271 -0.4490 C 0 0 0
- 2.2644 3.4155 0.5576 C 0 0 0
- 6.2043 -0.8278 0.1016 C 0 0 0
- -1.4017 -1.5315 0.0000 H 0 0 0
- -3.7500 1.8061 0.0000 H 0 0 0
- -3.8407 -1.9950 0.0000 H 0 0 0
- -6.0303 1.8730 0.0000 H 0 0 0
- -6.1220 -1.9093 0.0000 H 0 0 0
- -7.2586 0.0175 0.0000 H 0 0 0
- 3.1619 1.4386 0.0000 H 0 0 0
- 3.1481 2.4069 0.0000 H 0 0 0
- 5.3510 0.2521 0.0000 H 0 0 0
- 4.2988 0.2735 0.0000 H 0 0 0
- 3.2125 3.4623 0.0000 H 0 0 0
- 2.2176 4.3636 0.0000 H 0 0 0
- 1.3163 3.3687 0.0000 H 0 0 0
- 6.0043 -1.7557 0.0000 H 0 0 0
- 7.1322 -1.0278 0.0000 H 0 0 0
- 6.4043 0.1001 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 15 18 1 0
- 17 19 1 0
- 18 20 1 0
- 7 8 2 0
- 10 12 2 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 17 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-116355-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-109108 1 V2000
- -1.8810 -1.4859 1.5632 C 0 0 0
- -3.2477 -1.4189 0.8787 C 0 0 0
- -0.8350 -1.2883 0.5756 O 0 0 0
- -1.7899 -0.3915 2.6285 C 0 0 0
- -3.3515 -0.1821 0.1252 O 0 0 0
- -3.4016 -2.6089 -0.0705 C 0 0 0
- 0.0534 -2.2651 0.3343 C 0 0 0
- -0.4914 -0.5574 3.4204 C 0 0 0
- -4.4399 0.5929 0.2538 C 0 0 0
- -4.8033 -2.5943 -0.6837 C 0 0 0
- 1.1898 -2.0295 -0.6270 C 0 0 0
- -0.0580 -3.3333 0.8879 O 0 0 0
- 0.3830 0.6839 3.2321 C 0 0 0
- -0.8181 -0.7306 4.9050 C 0 0 0
- -4.5303 1.8958 -0.4980 C 0 0 0
- -5.3471 0.2458 0.9724 O 0 0 0
- -4.6975 -2.3643 -2.1926 C 0 0 0
- -5.4896 -3.9359 -0.4192 C 0 0 0
- 2.0487 -3.2922 -0.7205 C 0 0 0
- 1.6406 0.3074 2.4462 C 0 0 0
- -5.8615 2.5783 -0.1772 C 0 0 0
- -6.0992 -2.3497 -2.8057 C 0 0 0
- 3.2024 -3.0530 -1.6966 C 0 0 0
- 2.6032 -3.6245 0.6408 C 0 0 0
- 2.3243 1.5784 1.9384 C 0 0 0
- 2.5377 -0.4084 3.2976 O 0 0 0
- -5.9533 3.9012 -0.9405 C 0 0 0
- -6.9989 1.6801 -0.5903 C 0 0 0
- -5.9934 -2.1196 -4.3146 C 0 0 0
- 3.9715 -4.3347 -1.8890 C 0 0 0
- 2.3204 -4.8065 1.2104 O 0 0 0
- 3.3023 -2.8268 1.2195 O 0 0 0
- 3.5819 1.2019 1.1526 C 0 0 0
- -7.1966 4.6402 -0.5171 C 0 0 0
- -7.8907 1.2635 0.3224 O 0 0 0
- -7.1081 1.3349 -1.7430 O 0 0 0
- 5.1251 -4.3286 -2.5752 O 0 0 0
- 3.5497 -5.3677 -1.4256 O 0 0 0
- 4.2656 2.4730 0.6448 C 0 0 0
- -7.4522 5.8618 -1.0111 O 0 0 0
- -7.9634 4.1330 0.2669 O 0 0 0
- 5.5232 2.0965 -0.1410 C 0 0 0
- 6.2069 3.3675 -0.6488 C 0 0 0
- 7.4645 2.9910 -1.4346 C 0 0 0
- 5.3097 4.0833 -1.5002 O 0 0 0
- 8.7031 3.2837 -0.5855 C 0 0 0
- 9.9388 2.6891 -1.2642 C 0 0 0
- 8.8664 4.6971 -0.4527 O 0 0 0
- 11.1774 2.9818 -0.4151 C 0 0 0
- 9.7709 1.2362 -1.4007 N 0 0 0
- -1.8136 -2.4631 0.0000 H 0 0 0
- -4.2270 -1.3969 0.0000 H 0 0 0
- -1.6800 0.5818 0.0000 H 0 0 0
- -2.7648 -0.2959 0.0000 H 0 0 0
- -3.4504 -3.5872 0.0000 H 0 0 0
- -2.4260 -2.6962 0.0000 H 0 0 0
- 0.1562 -1.2923 0.0000 H 0 0 0
- -5.6845 -2.1665 0.0000 H 0 0 0
- 2.0647 -1.5891 0.0000 H 0 0 0
- 0.8674 -1.1046 0.0000 H 0 0 0
- 0.7631 1.5867 0.0000 H 0 0 0
- -0.4737 1.1587 0.0000 H 0 0 0
- -1.2769 0.1348 0.0000 H 0 0 0
- -1.6835 -1.1894 0.0000 H 0 0 0
- -0.3593 -1.5960 0.0000 H 0 0 0
- -3.5569 1.7866 0.0000 H 0 0 0
- -4.2476 2.8337 0.0000 H 0 0 0
- -3.7591 -2.6452 0.0000 H 0 0 0
- -4.5505 -1.3959 0.0000 H 0 0 0
- -6.3616 -3.4898 0.0000 H 0 0 0
- -5.9357 -4.8079 0.0000 H 0 0 0
- -4.6176 -4.3820 0.0000 H 0 0 0
- 1.3762 -4.0044 0.0000 H 0 0 0
- 1.1864 -0.5604 0.0000 H 0 0 0
- -6.7573 2.9746 0.0000 H 0 0 0
- -7.0376 -2.0689 0.0000 H 0 0 0
- -6.2462 -3.3181 0.0000 H 0 0 0
- 4.0934 -2.6460 0.0000 H 0 0 0
- 2.8976 -2.1221 0.0000 H 0 0 0
- 2.6679 2.4957 0.0000 H 0 0 0
- 1.4323 1.9832 0.0000 H 0 0 0
- 3.3034 -1.0193 0.0000 H 0 0 0
- -4.9824 3.7717 0.0000 H 0 0 0
- -5.6318 4.8265 0.0000 H 0 0 0
- -5.1034 -2.5288 0.0000 H 0 0 0
- -5.5842 -1.2296 0.0000 H 0 0 0
- -6.8834 -1.7104 0.0000 H 0 0 0
- 2.0925 -5.7591 0.0000 H 0 0 0
- 3.2383 0.2846 0.0000 H 0 0 0
- 4.4739 0.7972 0.0000 H 0 0 0
- -8.7782 0.8489 0.0000 H 0 0 0
- 6.1046 -4.3234 0.0000 H 0 0 0
- 4.6092 3.3903 0.0000 H 0 0 0
- 3.3736 2.8777 0.0000 H 0 0 0
- -7.6528 6.8206 0.0000 H 0 0 0
- 5.1796 1.1792 0.0000 H 0 0 0
- 6.4152 1.6917 0.0000 H 0 0 0
- 6.6611 4.2354 0.0000 H 0 0 0
- 6.8794 2.2054 0.0000 H 0 0 0
- 8.0024 2.1724 0.0000 H 0 0 0
- 4.5440 4.6942 0.0000 H 0 0 0
- 8.5973 2.3099 0.0000 H 0 0 0
- 10.0446 3.6629 0.0000 H 0 0 0
- 8.9788 5.6702 0.0000 H 0 0 0
- 11.4027 2.0285 0.0000 H 0 0 0
- 12.1307 3.2071 0.0000 H 0 0 0
- 10.9521 3.9351 0.0000 H 0 0 0
- 8.8720 0.8471 0.0000 H 0 0 0
- 10.5574 0.6523 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 15 21 1 0
- 17 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 20 26 1 0
- 21 27 1 0
- 21 28 1 0
- 22 29 1 0
- 23 30 1 0
- 24 31 1 0
- 24 32 2 0
- 25 33 1 0
- 27 34 1 0
- 28 35 1 0
- 28 36 2 0
- 30 37 1 0
- 30 38 2 0
- 33 39 1 0
- 34 40 1 0
- 34 41 2 0
- 39 42 1 0
- 42 43 1 0
- 43 44 1 0
- 43 45 1 0
- 44 46 1 0
- 46 47 1 0
- 46 48 1 0
- 47 49 1 0
- 47 50 1 0
- 1 51 1 0
- 2 52 1 0
- 4 53 1 0
- 4 54 1 0
- 6 55 1 0
- 6 56 1 0
- 8 57 1 0
- 10 58 1 0
- 11 59 1 0
- 11 60 1 0
- 13 61 1 0
- 13 62 1 0
- 14 63 1 0
- 14 64 1 0
- 14 65 1 0
- 15 66 1 0
- 15 67 1 0
- 17 68 1 0
- 17 69 1 0
- 18 70 1 0
- 18 71 1 0
- 18 72 1 0
- 19 73 1 0
- 20 74 1 0
- 21 75 1 0
- 22 76 1 0
- 22 77 1 0
- 23 78 1 0
- 23 79 1 0
- 25 80 1 0
- 25 81 1 0
- 26 82 1 0
- 27 83 1 0
- 27 84 1 0
- 29 85 1 0
- 29 86 1 0
- 29 87 1 0
- 31 88 1 0
- 33 89 1 0
- 33 90 1 0
- 35 91 1 0
- 37 92 1 0
- 39 93 1 0
- 39 94 1 0
- 40 95 1 0
- 42 96 1 0
- 42 97 1 0
- 43 98 1 0
- 44 99 1 0
- 44100 1 0
- 45101 1 0
- 46102 1 0
- 47103 1 0
- 48104 1 0
- 49105 1 0
- 49106 1 0
- 49107 1 0
- 50108 1 0
- 50109 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-85-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.1591 0.8032 0.0018 C 0 0 0
- -1.6781 -0.4896 0.0004 C 0 0 0
- 0.2147 0.9954 0.0017 C 0 0 0
- -2.0217 1.9054 -0.0025 N 0 0 0
- -0.8205 -1.5770 -0.0011 C 0 0 0
- -3.0246 -0.6835 0.0009 O 0 0 0
- 1.0649 -0.0956 0.0002 C 0 0 0
- 0.5481 -1.3791 -0.0013 C 0 0 0
- 2.7841 0.1459 0.0000 Cl 0 0 0
- 0.6047 1.9581 0.0000 H 0 0 0
- -1.6334 2.8688 0.0000 H 0 0 0
- -3.0501 1.7600 0.0000 H 0 0 0
- -1.2055 -2.5417 0.0000 H 0 0 0
- -4.0527 -0.8315 0.0000 H 0 0 0
- 1.1897 -2.1959 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114460-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.1580 -0.8861 0.0157 C 0 0 0
- -1.1385 -0.3383 0.1043 C 0 0 0
- 1.3492 -0.0376 0.0038 C 0 0 0
- 0.3186 -2.2846 -0.0578 C 0 0 0
- -2.2441 -1.1982 0.1121 C 0 0 0
- -1.6169 0.9258 0.1920 N 0 0 0
- 2.6207 -0.6505 -0.0865 C 0 0 0
- 1.2549 1.3543 0.0789 C 0 0 0
- -0.8160 -3.1163 -0.0422 C 0 0 0
- 1.6165 -2.8387 -0.1458 C 0 0 0
- -3.3566 -0.3871 0.2064 N 0 0 0
- -2.0635 -2.5799 0.0317 C 0 0 0
- -2.9173 0.8984 0.2519 C 0 0 0
- 2.7166 -2.0583 -0.1634 C 0 0 0
- 3.7716 0.1513 -0.0988 C 0 0 0
- 2.4053 2.1161 0.0640 C 0 0 0
- -3.8042 2.1123 0.3567 C 0 0 0
- 3.6577 1.5067 -0.0243 C 0 0 0
- 2.3181 3.4702 0.1364 O 0 0 0
- -4.1721 2.5978 -1.0468 C 0 0 0
- 0.3180 1.8174 0.0000 H 0 0 0
- -0.6979 -4.1547 0.0000 H 0 0 0
- 1.7279 -3.8778 0.0000 H 0 0 0
- -4.3532 -0.7017 0.0000 H 0 0 0
- -2.8972 -3.2102 0.0000 H 0 0 0
- 3.6609 -2.5062 0.0000 H 0 0 0
- 4.7175 -0.2931 0.0000 H 0 0 0
- -2.7658 2.2304 0.0000 H 0 0 0
- -3.3928 3.0730 0.0000 H 0 0 0
- 4.5197 2.0976 0.0000 H 0 0 0
- 2.2509 4.5131 0.0000 H 0 0 0
- -3.3391 3.2290 0.0000 H 0 0 0
- -4.8033 3.4308 0.0000 H 0 0 0
- -5.0051 1.9666 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 13 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 9 12 2 0
- 10 14 2 0
- 11 13 1 0
- 16 18 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1330-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 54 1 V2000
- -13.6068 0.6898 0.0505 C 0 0 0
- -14.4819 -0.3073 0.4396 C 0 0 0
- -12.3606 0.3598 -0.4480 C 0 0 0
- -14.1106 -1.6341 0.3301 C 0 0 0
- -15.8408 0.0525 0.9826 C 0 0 0
- -11.9892 -0.9674 -0.5575 C 0 0 0
- -11.4066 1.4467 -0.8717 C 0 0 0
- -12.8639 -1.9642 -0.1681 C 0 0 0
- 0.1288 1.4336 -0.1098 C 0 0 0
- -0.7461 0.4368 0.2792 C 0 0 0
- 1.3753 1.1035 -0.6084 C 0 0 0
- -0.2785 2.8800 0.0038 C 0 0 0
- -0.3747 -0.8905 0.1697 C 0 0 0
- -2.1046 0.7966 0.8232 C 0 0 0
- 1.7466 -0.2233 -0.7179 C 0 0 0
- 0.8713 -1.2205 -0.3293 C 0 0 0
- 12.8841 1.0780 0.2019 C 0 0 0
- 12.0093 0.0812 0.5909 C 0 0 0
- 14.1307 0.7479 -0.2968 C 0 0 0
- 12.4769 2.5245 0.3154 C 0 0 0
- 12.3807 -1.2460 0.4813 C 0 0 0
- 14.5020 -0.5789 -0.4063 C 0 0 0
- 13.6269 -1.5760 -0.0172 C 0 0 0
- 14.0315 -3.0227 -0.1371 C 0 0 0
- -13.9025 1.6600 0.0000 H 0 0 0
- -14.8227 -2.3563 0.0000 H 0 0 0
- -15.5812 1.0330 0.0000 H 0 0 0
- -16.8213 0.3121 0.0000 H 0 0 0
- -16.1004 -0.9280 0.0000 H 0 0 0
- -11.0002 -1.1924 0.0000 H 0 0 0
- -10.6443 0.7776 0.0000 H 0 0 0
- -10.7375 2.2090 0.0000 H 0 0 0
- -12.1689 2.1158 0.0000 H 0 0 0
- -12.5682 -2.9344 0.0000 H 0 0 0
- 2.0874 1.8257 0.0000 H 0 0 0
- 0.6978 3.1549 0.0000 H 0 0 0
- -0.5534 3.8563 0.0000 H 0 0 0
- -1.2548 2.6051 0.0000 H 0 0 0
- -1.0869 -1.6127 0.0000 H 0 0 0
- -1.8449 1.7770 0.0000 H 0 0 0
- -3.0850 1.0563 0.0000 H 0 0 0
- -2.3643 -0.1838 0.0000 H 0 0 0
- 2.7356 -0.4484 0.0000 H 0 0 0
- 1.1669 -2.1907 0.0000 H 0 0 0
- 11.0203 0.3062 0.0000 H 0 0 0
- 14.8428 1.4701 0.0000 H 0 0 0
- 13.4532 2.7993 0.0000 H 0 0 0
- 12.2021 3.5008 0.0000 H 0 0 0
- 11.5006 2.2497 0.0000 H 0 0 0
- 11.6686 -1.9682 0.0000 H 0 0 0
- 15.4910 -0.8039 0.0000 H 0 0 0
- 13.0547 -3.2959 0.0000 H 0 0 0
- 14.3047 -3.9995 0.0000 H 0 0 0
- 15.0083 -2.7495 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 9 10 2 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 17 18 2 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 23 24 1 0
- 6 8 2 0
- 15 16 1 0
- 22 23 1 0
- 1 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 14 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 16 44 1 0
- 18 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 20 49 1 0
- 21 50 1 0
- 22 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2523-37-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.7419 -0.6099 -0.0005 C 0 0 0
- -0.7420 -0.6096 0.0004 C 0 0 0
- 1.2057 0.6881 -0.1977 C 0 0 0
- 1.6605 -1.6481 0.1619 C 0 0 0
- -1.2055 0.6882 -0.1963 C 0 0 0
- -1.6611 -1.6486 0.1582 C 0 0 0
- 0.0001 1.5855 -0.3332 C 0 0 0
- 2.5597 0.9437 -0.2369 C 0 0 0
- 3.0139 -1.3832 0.1205 C 0 0 0
- -2.5599 0.9441 -0.2351 C 0 0 0
- -3.0140 -1.3833 0.1183 C 0 0 0
- 0.0008 2.6149 0.7987 C 0 0 0
- 3.4650 -0.0913 -0.0800 C 0 0 0
- -3.4651 -0.0904 -0.0782 C 0 0 0
- 1.3289 -2.6272 0.0000 H 0 0 0
- -1.3296 -2.6278 0.0000 H 0 0 0
- -0.9235 2.0498 0.0000 H 0 0 0
- 2.8974 1.9208 0.0000 H 0 0 0
- 3.6909 -2.1644 0.0000 H 0 0 0
- -2.8974 1.9212 0.0000 H 0 0 0
- -3.6913 -2.1643 0.0000 H 0 0 0
- 1.0346 2.6142 0.0000 H 0 0 0
- 0.0015 3.6487 0.0000 H 0 0 0
- -1.0330 2.6156 0.0000 H 0 0 0
- 4.4799 0.1053 0.0000 H 0 0 0
- -4.4800 0.1064 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 2 0
- 5 7 1 0
- 9 13 2 0
- 11 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-33-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 2.7831 -0.1918 -0.2275 C 0 0 0
- 3.7853 0.4496 0.4893 C 0 0 0
- 1.4956 0.3526 -0.2726 N 0 0 0
- 3.0638 -1.3717 -0.9038 C 0 0 0
- 5.0556 -0.0903 0.5314 C 0 0 0
- 3.4868 1.7335 1.2197 C 0 0 0
- 0.4291 -0.4131 0.0321 C 0 0 0
- 4.3378 -1.9037 -0.8619 C 0 0 0
- 5.3305 -1.2684 -0.1390 C 0 0 0
- 3.5993 2.9106 0.2487 C 0 0 0
- -0.9316 0.1270 -0.1185 C 0 0 0
- 0.5912 -1.5506 0.4314 O 0 0 0
- -2.0945 -0.6636 0.1979 C 0 0 0
- -1.1505 1.4145 -0.5633 C 0 0 0
- -3.2972 -0.0806 0.0273 C 0 0 0
- -2.8770 1.5472 -0.5608 S 0 0 0
- -4.6405 -0.6528 0.2715 N 0 3 0
- -5.6354 0.0183 0.0632 O 0 0 0
- -4.7508 -1.7947 0.6808 O 0 5 0
- 1.3860 1.3331 0.0000 H 0 0 0
- 2.3120 -2.0106 0.0000 H 0 0 0
- 5.8108 0.5446 0.0000 H 0 0 0
- 2.6262 2.2160 0.0000 H 0 0 0
- 2.6979 1.1410 0.0000 H 0 0 0
- 4.4234 -2.8866 0.0000 H 0 0 0
- 6.2445 -1.6400 0.0000 H 0 0 0
- 4.5815 2.8167 0.0000 H 0 0 0
- 3.6932 3.8928 0.0000 H 0 0 0
- 2.6171 3.0045 0.0000 H 0 0 0
- -2.0227 -1.6476 0.0000 H 0 0 0
- -0.4855 2.1434 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 11 13 1 0
- 11 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 9 2 0
- 15 16 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 13 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-616-72-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.1970 -0.0717 -0.0198 C 0 0 0
- -0.0002 -0.7630 -0.0027 C 0 0 0
- 1.1970 1.3104 -0.0183 C 0 0 0
- 2.4788 -0.8118 -0.0336 N 0 3 0
- -1.1970 -0.0720 0.0160 C 0 0 0
- -0.0002 2.0017 0.0004 C 0 0 0
- 2.5020 2.0639 -0.0366 C 0 0 0
- 2.7926 -1.4682 -1.0104 O 0 0 0
- 3.2199 -0.7643 0.9318 O 0 5 0
- -1.1970 1.3106 0.0176 C 0 0 0
- -2.4787 -0.8121 0.0339 N 0 3 0
- -2.5020 2.0640 0.0379 C 0 0 0
- -2.7895 -1.4683 1.0119 O 0 0 0
- -3.2227 -0.7650 -0.9293 O 0 5 0
- -0.0002 -1.7997 0.0000 H 0 0 0
- -0.0002 3.0384 0.0000 H 0 0 0
- 3.0204 1.1661 0.0000 H 0 0 0
- 3.3998 2.5823 0.0000 H 0 0 0
- 1.9836 2.9617 0.0000 H 0 0 0
- -1.9837 2.9618 0.0000 H 0 0 0
- -3.3998 2.5823 0.0000 H 0 0 0
- -3.0203 1.1662 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.3374 0.0923 -0.0005 C 0 0 0
- -0.0783 -1.2628 0.0909 C 0 0 0
- 0.7070 0.9933 -0.0737 C 0 0 0
- -1.7354 0.5775 -0.0260 N 0 3 0
- 1.2266 -1.7209 0.1093 C 0 0 0
- -1.2203 -2.2428 0.1711 C 0 0 0
- 2.0186 0.5366 -0.0555 C 0 0 0
- -2.4493 0.3280 -0.9808 O 0 0 0
- -2.1720 1.2263 0.9078 O 0 5 0
- 2.2753 -0.8256 0.0364 C 0 0 0
- 3.0770 1.4450 -0.1289 N 0 0 0
- 0.5128 2.0122 0.0000 H 0 0 0
- 1.4169 -2.7405 0.0000 H 0 0 0
- -1.8958 -1.4557 0.0000 H 0 0 0
- -2.0074 -2.9183 0.0000 H 0 0 0
- -0.5448 -3.0299 0.0000 H 0 0 0
- 3.2535 -1.1705 0.0000 H 0 0 0
- 4.0556 1.1011 0.0000 H 0 0 0
- 2.8855 2.4644 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91642-47-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -2.0051 0.0505 -0.0042 C 0 0 0
- -3.1607 -0.6466 -0.0035 O 0 0 0
- -2.3229 1.3934 -0.0012 C 0 0 0
- -0.7004 -0.4979 -0.0022 C 0 0 0
- -4.1952 0.2052 -0.0001 C 0 0 0
- -3.7235 1.4720 0.0014 C 0 0 0
- 0.3809 0.3230 -0.0032 C 0 0 0
- -5.6248 -0.1793 0.0021 N 0 3 0
- 1.6834 -0.2244 -0.0012 C 0 0 0
- -6.4869 0.6811 0.0052 O 0 0 0
- -5.9389 -1.3561 0.0009 O 0 5 0
- 2.7587 0.5918 -0.0023 O 0 0 0
- 1.8361 -1.4319 0.0014 O 0 0 0
- 3.9148 -0.2480 0.0002 C 0 0 0
- 5.1752 0.6194 -0.0008 C 0 0 0
- 6.4131 -0.2799 0.0019 C 0 0 0
- 7.6735 0.5875 0.0009 C 0 0 0
- 8.9113 -0.3117 0.0036 C 0 0 0
- -1.6528 2.1934 0.0000 H 0 0 0
- -0.5695 -1.5332 0.0000 H 0 0 0
- -4.2946 2.3454 0.0000 H 0 0 0
- 0.2500 1.3583 0.0000 H 0 0 0
- 3.2100 -1.0176 0.0000 H 0 0 0
- 4.5998 -1.0353 0.0000 H 0 0 0
- 5.8800 1.3890 0.0000 H 0 0 0
- 4.4902 1.4067 0.0000 H 0 0 0
- 5.7083 -1.0495 0.0000 H 0 0 0
- 7.0981 -1.0672 0.0000 H 0 0 0
- 8.3783 1.3571 0.0000 H 0 0 0
- 6.9885 1.3748 0.0000 H 0 0 0
- 8.2980 -1.1560 0.0000 H 0 0 0
- 9.7556 -0.9250 0.0000 H 0 0 0
- 9.5246 0.5326 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 5 6 2 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-921-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.0221 -0.3418 -0.4439 N 0 0 0
- -1.1032 0.5486 -0.1293 C 0 0 0
- 1.2014 0.2125 0.2344 C 0 0 0
- -0.2643 -1.6177 0.1917 N 0 0 0
- -2.3566 0.0644 -0.8610 C 0 0 0
- -1.3568 0.5364 1.3795 C 0 0 0
- 2.4092 -0.6907 -0.0231 C 0 0 0
- 1.4886 1.6146 -0.3062 C 0 0 0
- -0.7951 1.5081 0.0000 H 0 0 0
- 0.4095 0.8357 0.0000 H 0 0 0
- -1.2262 -1.9182 0.0000 H 0 0 0
- 0.4769 -2.3005 0.0000 H 0 0 0
- -2.7197 1.0045 0.0000 H 0 0 0
- -3.2967 -0.2987 0.0000 H 0 0 0
- -1.9935 -0.8757 0.0000 H 0 0 0
- -1.4052 1.5430 0.0000 H 0 0 0
- -2.3634 0.4880 0.0000 H 0 0 0
- -1.3084 -0.4702 0.0000 H 0 0 0
- 1.8057 -1.4978 0.0000 H 0 0 0
- 3.2163 -1.2942 0.0000 H 0 0 0
- 3.0127 0.1164 0.0000 H 0 0 0
- 2.4759 1.4124 0.0000 H 0 0 0
- 1.6908 2.6019 0.0000 H 0 0 0
- 0.5013 1.8168 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64-19-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- -0.0528 -0.0008 -0.0015 C 0 0 0
- -1.2410 0.9262 0.0004 C 0 0 0
- 1.1914 0.5028 0.0004 O 0 0 0
- -0.2202 -1.1974 0.0004 O 0 0 0
- -0.6218 1.7199 0.0000 H 0 0 0
- -2.0347 1.5454 0.0000 H 0 0 0
- -1.8602 0.1325 0.0000 H 0 0 0
- 2.1246 0.8805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105052-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.4502 -0.2907 -0.0018 C 0 0 0
- -1.8262 -0.5827 -0.0018 C 0 0 0
- 0.0020 1.1039 -0.0004 C 0 0 0
- 0.5154 -1.3073 0.0027 C 0 0 0
- -2.7759 0.5270 0.0000 C 0 0 0
- -2.2250 -1.9219 -0.0032 C 0 0 0
- 1.3800 1.3075 0.0000 C 0 0 0
- -0.9970 2.1722 0.0001 C 0 0 0
- 1.8096 -0.9638 0.0033 O 0 0 0
- 0.0769 -2.6445 0.0069 C 0 0 0
- -2.3171 1.8610 0.0018 C 0 0 0
- -4.0974 0.2752 -0.0005 O 0 0 0
- -1.2594 -2.9279 -0.0044 C 0 0 0
- 2.2074 0.1864 -0.0010 C 0 0 0
- -5.0459 1.3745 0.0014 C 0 0 0
- 3.6708 0.4097 -0.0011 N 0 3 0
- 4.4319 -0.5412 -0.0019 O 0 0 0
- 4.1857 1.7287 -0.0002 O 0 5 0
- -3.2453 -2.1691 0.0000 H 0 0 0
- 1.7831 2.2768 0.0000 H 0 0 0
- -0.6931 3.1770 0.0000 H 0 0 0
- 0.7781 -3.4258 0.0000 H 0 0 0
- -3.0215 2.6394 0.0000 H 0 0 0
- -1.5681 -3.9313 0.0000 H 0 0 0
- -4.2511 2.0603 0.0000 H 0 0 0
- -5.7317 2.1693 0.0000 H 0 0 0
- -5.8407 0.6887 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 12 15 1 0
- 14 16 1 0
- 16 17 2 0
- 16 18 1 0
- 8 11 1 0
- 9 14 1 0
- 10 13 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-29-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.0352 0.0024 -0.5092 C 0 0 0
- 0.6074 -1.1962 -0.2602 C 0 0 0
- 0.6097 1.1981 -0.2549 C 0 0 0
- -1.4364 0.0050 -1.0638 C 0 0 0
- 1.8947 -1.1986 0.2431 C 0 0 0
- 1.8974 1.1957 0.2485 C 0 0 0
- -2.4033 0.0002 0.0461 C 0 0 0
- 2.5398 -0.0025 0.4974 C 0 0 0
- -3.1495 -0.0035 0.9027 N 0 0 0
- 0.0833 -2.0700 0.0000 H 0 0 0
- 0.0883 2.0735 0.0000 H 0 0 0
- -0.9273 0.8876 0.0000 H 0 0 0
- -1.9482 0.8860 0.0000 H 0 0 0
- 2.4161 -2.0740 0.0000 H 0 0 0
- 2.4215 2.0695 0.0000 H 0 0 0
- 3.5587 -0.0038 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 3 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111574-85-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 40 1 V2000
- -0.0498 1.0459 -0.0203 C 0 0 1
- -0.9370 0.0560 -0.6362 N 0 0 0
- 1.4062 0.6770 -0.3118 C 0 0 0
- -0.3462 2.4093 -0.5898 C 0 0 0
- -2.1320 -0.2184 -0.0767 C 0 0 0
- 1.7630 -0.9642 0.3736 S 0 0 0
- -0.1527 3.5105 0.1628 N 0 0 0
- -0.7589 2.5156 -1.7252 O 0 0 0
- -3.0446 -1.2367 -0.7103 C 0 0 0
- -2.4729 0.3540 0.9367 O 0 0 0
- 3.4540 -1.1297 -0.0932 C 0 0 0
- -0.4409 4.8359 -0.3908 C 0 0 0
- -4.3260 -1.3577 0.1170 C 0 0 0
- 4.1240 -2.2258 0.2248 C 0 0 0
- 4.2411 0.1451 -0.9701 Cl 0 0 0
- -0.1428 5.8887 0.6455 C 0 0 0
- -5.2525 -2.3915 -0.5263 C 0 0 1
- 5.7900 -2.3888 -0.2351 Cl 0 0 0
- 3.3368 -3.5005 1.1017 Cl 0 0 0
- -0.3338 7.1860 0.3585 O 0 0 0
- 0.2682 5.5651 1.7346 O 0 0 0
- -6.5146 -2.5107 0.2885 C 0 0 0
- -5.5892 -1.9651 -1.8911 N 0 0 0
- -6.5852 -3.4017 1.2900 O 0 0 0
- -7.4629 -1.8044 0.0403 O 0 0 0
- -0.9919 1.2948 0.0000 H 0 0 0
- -0.4420 -0.7833 0.0000 H 0 0 0
- 2.3788 0.7354 0.0000 H 0 0 0
- 1.4977 1.6471 0.0000 H 0 0 0
- 0.8215 3.5301 0.0000 H 0 0 0
- -3.2198 -2.1952 0.0000 H 0 0 0
- -2.1697 -1.6656 0.0000 H 0 0 0
- -1.2247 5.4148 0.0000 H 0 0 0
- -1.2589 4.3065 0.0000 H 0 0 0
- -4.1508 -0.3992 0.0000 H 0 0 0
- -5.2009 -0.9288 0.0000 H 0 0 0
- -4.8137 -3.2615 0.0000 H 0 0 0
- -0.4757 8.1500 0.0000 H 0 0 0
- -5.2289 -1.0598 0.0000 H 0 0 0
- -6.5534 -2.1057 0.0000 H 0 0 0
- -6.6622 -4.3730 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 14 19 1 0
- 16 20 1 0
- 16 21 2 0
- 17 22 1 0
- 17 23 1 0
- 22 24 1 0
- 22 25 2 0
- 1 26 1 0
- 2 27 1 0
- 3 28 1 0
- 3 29 1 0
- 7 30 1 0
- 9 31 1 0
- 9 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 17 37 1 0
- 20 38 1 0
- 23 39 1 0
- 23 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-24-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.0001 0.7339 -0.0051 C 0 0 0
- -0.0001 -0.7356 -0.0011 C 0 0 0
- 1.2138 1.4342 -0.0056 C 0 0 0
- -1.2135 1.4342 -0.0026 C 0 0 0
- 1.2142 -1.4352 0.0022 C 0 0 0
- -1.2139 -1.4352 -0.0010 C 0 0 0
- 2.4141 0.7339 -0.0023 C 0 0 0
- -2.4143 0.7339 0.0038 C 0 0 0
- 2.4143 -0.7344 0.0017 C 0 0 0
- -2.4146 -0.7343 -0.0047 C 0 0 0
- 3.6536 1.4125 -0.0032 C 0 0 0
- -3.6533 1.4123 0.0065 C 0 0 0
- 3.6544 -1.4118 0.0055 C 0 0 0
- -3.6542 -1.4117 -0.0043 C 0 0 0
- 4.8073 0.6990 -0.0003 C 0 0 0
- -4.8074 0.6988 0.0128 C 0 0 0
- 4.8076 -0.6975 0.0053 C 0 0 0
- -4.8078 -0.6972 -0.0075 C 0 0 0
- 1.2164 2.4849 0.0000 H 0 0 0
- -1.2159 2.4849 0.0000 H 0 0 0
- 1.2173 -2.4859 0.0000 H 0 0 0
- -1.2168 -2.4859 0.0000 H 0 0 0
- 3.6814 2.4629 0.0000 H 0 0 0
- -3.6810 2.4627 0.0000 H 0 0 0
- 3.6831 -2.4621 0.0000 H 0 0 0
- -3.6828 -2.4620 0.0000 H 0 0 0
- 5.7251 1.2106 0.0000 H 0 0 0
- -5.7251 1.2105 0.0000 H 0 0 0
- 5.7256 -1.2086 0.0000 H 0 0 0
- -5.7259 -1.2083 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 7 9 1 0
- 8 10 1 0
- 15 17 1 0
- 16 18 2 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.6996 -1.2057 -0.0001 C 0 0 0
- -0.8150 -1.1436 0.0003 C 0 0 0
- 1.1041 0.2108 -0.0003 N 0 0 0
- 1.2097 -1.9111 1.2581 C 0 0 0
- 1.2091 -1.9112 -1.2585 C 0 0 0
- -1.1259 0.1677 0.0003 N 0 0 0
- -1.5862 -2.0790 -0.0001 O 0 0 0
- -0.0297 0.9348 0.0000 C 0 0 0
- 2.7032 0.8166 0.0002 Cl 0 0 0
- -2.7240 0.7761 0.0001 Cl 0 0 0
- -0.0554 2.1499 -0.0005 O 0 0 0
- 0.3921 -2.5023 0.0000 H 0 0 0
- 1.8009 -2.7287 0.0000 H 0 0 0
- 2.0273 -1.3199 0.0000 H 0 0 0
- 0.3912 -2.5019 0.0000 H 0 0 0
- 1.7998 -2.7291 0.0000 H 0 0 0
- 2.0270 -1.3205 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 8 11 2 0
- 6 8 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1565-94-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 74 1 V2000
- 0.0459 4.4997 -0.1967 C 0 0 0
- -1.0156 3.5421 0.2799 C 0 0 0
- 1.3649 3.7777 -0.2980 C 0 0 0
- -0.3420 5.0483 -1.5712 C 0 0 0
- 0.1726 5.6563 0.7969 C 0 0 0
- -1.1869 3.3197 1.6335 C 0 0 0
- -1.8206 2.8917 -0.6374 C 0 0 0
- 2.4963 4.4611 -0.7029 C 0 0 0
- 1.4424 2.4341 0.0197 C 0 0 0
- -2.1598 2.4425 2.0730 C 0 0 0
- -2.7945 2.0138 -0.2032 C 0 0 0
- 3.7068 3.8016 -0.7961 C 0 0 0
- 2.6502 1.7702 -0.0719 C 0 0 0
- -2.9649 1.7849 1.1547 C 0 0 0
- 3.7862 2.4526 -0.4831 C 0 0 0
- -3.9223 0.9213 1.5845 O 0 0 0
- 4.9756 1.8015 -0.5744 O 0 0 0
- -4.5731 0.4125 0.4185 C 0 0 0
- 4.7347 0.4458 -0.1923 C 0 0 0
- -5.6685 -0.5714 0.8342 C 0 0 0
- 6.0410 -0.3467 -0.2736 C 0 0 0
- -6.3653 -1.1162 -0.4142 C 0 0 0
- -5.0854 -1.6526 1.5643 O 0 0 0
- 5.7831 -1.7983 0.1355 C 0 0 0
- 6.5375 -0.3104 -1.6130 O 0 0 0
- -7.4048 -2.0500 -0.0197 O 0 0 0
- 7.0227 -2.5504 0.0584 O 0 0 0
- -8.1558 -2.6589 -0.9590 C 0 0 0
- 7.0371 -3.8604 0.3756 C 0 0 0
- -9.2079 -3.6040 -0.5597 C 0 0 0
- -7.9627 -2.4263 -2.1361 O 0 0 0
- 8.2917 -4.6216 0.2975 C 0 0 0
- 6.0124 -4.4121 0.7261 O 0 0 0
- -9.4472 -3.8924 0.9000 C 0 0 0
- -9.9493 -4.2051 -1.4870 C 0 0 0
- 9.5622 -3.9376 -0.1372 C 0 0 0
- 8.3058 -5.9150 0.6106 C 0 0 0
- 0.4606 5.6158 0.0000 H 0 0 0
- -0.9095 5.8509 0.0000 H 0 0 0
- -1.1446 4.4808 0.0000 H 0 0 0
- 1.1497 5.5493 0.0000 H 0 0 0
- 0.2796 6.6334 0.0000 H 0 0 0
- -0.8045 5.7633 0.0000 H 0 0 0
- -0.4655 2.6520 0.0000 H 0 0 0
- -2.4588 3.6393 0.0000 H 0 0 0
- 2.4744 5.4438 0.0000 H 0 0 0
- 0.6111 1.9095 0.0000 H 0 0 0
- -1.5196 1.6966 0.0000 H 0 0 0
- -3.5213 2.6756 0.0000 H 0 0 0
- 4.5368 4.3282 0.0000 H 0 0 0
- 2.6690 0.7874 0.0000 H 0 0 0
- -4.7323 1.3825 0.0000 H 0 0 0
- -5.5004 0.7386 0.0000 H 0 0 0
- 3.7953 0.7354 0.0000 H 0 0 0
- 4.3319 -0.4509 0.0000 H 0 0 0
- -6.3000 0.1819 0.0000 H 0 0 0
- 6.2710 0.6090 0.0000 H 0 0 0
- -6.5246 -0.1462 0.0000 H 0 0 0
- -7.2926 -0.7902 0.0000 H 0 0 0
- -4.6188 -2.5178 0.0000 H 0 0 0
- 4.8437 -1.5087 0.0000 H 0 0 0
- 5.3803 -2.6950 0.0000 H 0 0 0
- 7.5179 -0.2387 0.0000 H 0 0 0
- -10.2037 -3.2647 0.0000 H 0 0 0
- -10.0749 -4.6489 0.0000 H 0 0 0
- -8.6907 -4.5201 0.0000 H 0 0 0
- -10.8672 -3.8534 0.0000 H 0 0 0
- -9.7950 -5.1759 0.0000 H 0 0 0
- 10.0282 -4.8031 0.0000 H 0 0 0
- 10.4277 -3.4716 0.0000 H 0 0 0
- 9.0962 -3.0721 0.0000 H 0 0 0
- 7.4599 -6.4157 0.0000 H 0 0 0
- 9.1624 -6.3972 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 22 26 1 0
- 24 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 28 31 2 0
- 29 32 1 0
- 29 33 2 0
- 30 34 1 0
- 30 35 2 0
- 32 36 1 0
- 32 37 2 0
- 11 14 1 0
- 13 15 1 0
- 4 38 1 0
- 4 39 1 0
- 4 40 1 0
- 5 41 1 0
- 5 42 1 0
- 5 43 1 0
- 6 44 1 0
- 7 45 1 0
- 8 46 1 0
- 9 47 1 0
- 10 48 1 0
- 11 49 1 0
- 12 50 1 0
- 13 51 1 0
- 18 52 1 0
- 18 53 1 0
- 19 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 22 59 1 0
- 23 60 1 0
- 24 61 1 0
- 24 62 1 0
- 25 63 1 0
- 34 64 1 0
- 34 65 1 0
- 34 66 1 0
- 35 67 1 0
- 35 68 1 0
- 36 69 1 0
- 36 70 1 0
- 36 71 1 0
- 37 72 1 0
- 37 73 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-93-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.4666 0.0259 -0.0013 C 0 0 0
- -0.7721 0.8843 0.0012 C 0 0 0
- 1.8292 0.6695 -0.0001 C 0 0 0
- 0.3672 -1.1776 0.0007 O 0 0 0
- -2.0129 -0.0109 -0.0007 C 0 0 0
- -0.0274 1.7346 0.0000 H 0 0 0
- -1.5328 1.7203 0.0000 H 0 0 0
- 2.3119 -0.3525 0.0000 H 0 0 0
- 2.8512 1.1522 0.0000 H 0 0 0
- 1.3465 1.6915 0.0000 H 0 0 0
- -2.6742 0.9057 0.0000 H 0 0 0
- -2.9295 -0.6722 0.0000 H 0 0 0
- -1.3516 -0.9275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-608-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0001 -1.8338 -0.0001 C 0 0 0
- -1.2013 -1.1389 0.0000 C 0 0 0
- 1.2011 -1.1393 -0.0001 C 0 0 0
- 0.0000 -3.1933 0.0053 O 0 0 0
- -1.1992 0.2441 0.0002 C 0 0 0
- -2.8400 -2.0826 -0.0007 Br 0 0 0
- 1.1991 0.2442 0.0001 C 0 0 0
- 2.8398 -2.0830 -0.0010 Br 0 0 0
- 0.0002 0.9353 -0.0002 C 0 0 0
- -2.8358 1.1914 0.0004 Br 0 0 0
- 2.8358 1.1914 0.0007 Br 0 0 0
- 0.0002 2.8263 -0.0006 Br 0 0 0
- -0.0001 -4.2340 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 2 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-44-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -0.7459 0.4633 0.0901 C 0 0 0
- -1.1051 -0.8747 -0.1604 C 0 0 0
- 0.5950 0.8091 0.1472 C 0 0 0
- -1.7068 1.3933 0.2774 O 0 0 0
- -0.1124 -1.8440 -0.3492 C 0 0 0
- -2.5242 -1.2287 -0.2186 C 0 0 0
- 1.5660 -0.1635 -0.0424 C 0 0 0
- -3.0097 1.0738 0.2308 C 0 0 0
- 1.2029 -1.4884 -0.2896 C 0 0 0
- -3.4403 -0.2434 -0.0268 C 0 0 0
- -2.9577 -2.6473 -0.4844 C 0 0 0
- 2.9122 0.1844 0.0146 N 0 0 0
- -3.8413 1.9464 0.4057 O 0 0 0
- 3.6881 0.3147 -1.2213 C 0 0 0
- 3.5535 0.4205 1.3104 C 0 0 0
- 3.3854 1.6652 -1.8735 C 0 0 0
- 3.8986 -0.9209 1.9605 C 0 0 0
- 0.8678 1.8068 0.0000 H 0 0 0
- -0.3730 -2.8450 0.0000 H 0 0 0
- 1.9331 -2.2211 0.0000 H 0 0 0
- -4.4505 -0.4656 0.0000 H 0 0 0
- -3.9469 -2.3450 0.0000 H 0 0 0
- -3.2600 -3.6365 0.0000 H 0 0 0
- -1.9685 -2.9496 0.0000 H 0 0 0
- 3.8778 -0.7021 0.0000 H 0 0 0
- 4.7014 0.5227 0.0000 H 0 0 0
- 4.5460 0.7118 0.0000 H 0 0 0
- 3.2290 1.4027 0.0000 H 0 0 0
- 4.3947 1.8914 0.0000 H 0 0 0
- 3.1592 2.6745 0.0000 H 0 0 0
- 2.3761 1.4390 0.0000 H 0 0 0
- 2.8968 -1.1786 0.0000 H 0 0 0
- 4.1563 -1.9227 0.0000 H 0 0 0
- 4.9004 -0.6632 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 15 17 1 0
- 7 9 1 0
- 8 10 1 0
- 3 18 1 0
- 5 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.0000 -0.4161 0.0000 N 0 0 0
- -1.1786 0.4608 0.0000 C 0 0 0
- 1.1786 0.4608 0.0000 C 0 0 0
- -2.4488 -0.3921 0.0000 C 0 0 0
- 2.4488 -0.3921 0.0000 C 0 0 0
- -3.6763 0.5212 0.0000 C 0 0 0
- 3.6763 0.5212 0.0000 C 0 0 0
- -4.8959 -0.2977 0.0000 N 0 0 0
- 4.8959 -0.2977 0.0000 N 0 0 0
- 0.0000 -1.5407 0.0000 H 0 0 0
- -0.4096 1.2814 0.0000 H 0 0 0
- -1.9070 1.3176 0.0000 H 0 0 0
- 1.9070 1.3176 0.0000 H 0 0 0
- 0.4096 1.2814 0.0000 H 0 0 0
- -3.2178 -1.2127 0.0000 H 0 0 0
- -1.7204 -1.2489 0.0000 H 0 0 0
- 1.7204 -1.2489 0.0000 H 0 0 0
- 3.2178 -1.2127 0.0000 H 0 0 0
- -2.9073 1.3418 0.0000 H 0 0 0
- -4.4047 1.3780 0.0000 H 0 0 0
- 4.4047 1.3780 0.0000 H 0 0 0
- 2.9073 1.3418 0.0000 H 0 0 0
- -5.9057 0.1974 0.0000 H 0 0 0
- -4.8198 -1.4198 0.0000 H 0 0 0
- 4.8198 -1.4198 0.0000 H 0 0 0
- 5.9057 0.1974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-121-32-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.8315 0.1791 -0.0038 C 0 0 0
- -0.1698 -0.7710 -0.0039 C 0 0 0
- 0.5064 1.5356 -0.0005 C 0 0 0
- 2.1354 -0.2075 -0.0012 O 0 0 0
- -1.5113 -0.3691 -0.0007 C 0 0 0
- -0.8241 1.9352 0.0027 C 0 0 0
- 1.4931 2.4679 0.0000 O 0 0 0
- 2.1425 -1.6364 0.0009 C 0 0 0
- -1.8293 0.9944 0.0026 C 0 0 0
- -2.5814 -1.3749 -0.0013 C 0 0 0
- 3.5876 -2.1392 0.0038 C 0 0 0
- -3.7427 -1.0248 0.0015 O 0 0 0
- 0.0723 -1.7866 0.0000 H 0 0 0
- -1.0624 2.9517 0.0000 H 0 0 0
- 2.2520 3.1849 0.0000 H 0 0 0
- 1.1046 -1.5236 0.0000 H 0 0 0
- 1.9131 -2.6549 0.0000 H 0 0 0
- -2.8283 1.2976 0.0000 H 0 0 0
- -2.3426 -2.3913 0.0000 H 0 0 0
- 3.2445 -3.1253 0.0000 H 0 0 0
- 4.5737 -2.4823 0.0000 H 0 0 0
- 3.9307 -1.1531 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 2 0
- 6 9 2 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-80-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.4223 -0.1453 -0.0026 N 0 0 0
- -0.9672 0.0126 -0.0013 C 0 0 0
- 1.3716 0.8853 0.0009 N 0 0 0
- 1.0901 -1.3171 -0.0015 C 0 0 0
- -1.6599 0.0922 -1.2027 C 0 0 0
- -1.6582 0.0846 1.2012 C 0 0 0
- 2.6150 0.3192 -0.0011 C 0 0 0
- 1.0812 2.3212 0.0054 C 0 0 0
- 2.4733 -1.0217 -0.0027 C 0 0 0
- 0.5921 -2.4285 0.0007 O 0 0 0
- -3.0319 0.2482 -1.1979 C 0 0 0
- -3.0307 0.2407 1.1990 C 0 0 0
- 3.9234 1.0669 0.0013 C 0 0 0
- -3.7165 0.3253 0.0014 C 0 0 0
- -1.5435 1.1102 0.0000 H 0 0 0
- -1.7692 -0.9340 0.0000 H 0 0 0
- 2.0855 2.5243 0.0000 H 0 0 0
- 0.8781 3.3255 0.0000 H 0 0 0
- 0.0769 2.1181 0.0000 H 0 0 0
- 3.2349 -1.7072 0.0000 H 0 0 0
- -2.9167 1.2664 0.0000 H 0 0 0
- -3.1513 -0.7768 0.0000 H 0 0 0
- 4.4318 0.1773 0.0000 H 0 0 0
- 4.8130 1.5753 0.0000 H 0 0 0
- 3.4150 1.9565 0.0000 H 0 0 0
- -4.7341 0.4454 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 11 14 1 0
- 7 9 2 0
- 12 14 2 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6923-22-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 1.6317 0.1719 -0.1096 P 0 0 0
- 0.7173 -0.9196 -0.8610 O 0 0 0
- 1.4369 0.0308 1.4823 O 0 0 0
- 3.1780 -0.0737 -0.4848 O 0 0 0
- 1.2301 1.5306 -0.5373 O 0 0 0
- -0.6261 -0.8071 -0.8340 C 0 0 0
- 1.6470 -1.3457 1.8038 C 0 0 0
- 3.9071 1.0504 0.0119 C 0 0 0
- -1.1993 0.2671 -0.2646 C 0 0 0
- -1.4850 -1.8858 -1.4422 C 0 0 0
- -2.5330 0.1906 0.2108 C 0 0 0
- -3.4624 1.0522 -0.2478 N 0 0 0
- -2.8385 -0.6533 1.0333 O 0 0 0
- -4.8403 0.9732 0.2434 C 0 0 0
- 0.6475 -1.4983 0.0000 H 0 0 0
- 1.7996 -2.3452 0.0000 H 0 0 0
- 2.6465 -1.1931 0.0000 H 0 0 0
- 4.7554 0.5002 0.0000 H 0 0 0
- 4.4573 1.8987 0.0000 H 0 0 0
- 3.0588 1.6006 0.0000 H 0 0 0
- -0.7042 1.1487 0.0000 H 0 0 0
- -2.2760 -1.2560 0.0000 H 0 0 0
- -2.1148 -2.6768 0.0000 H 0 0 0
- -0.6940 -2.5156 0.0000 H 0 0 0
- -3.1203 2.0036 0.0000 H 0 0 0
- -4.8982 1.9826 0.0000 H 0 0 0
- -5.8497 0.9153 0.0000 H 0 0 0
- -4.7824 -0.0362 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-154028-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.5293 -0.1519 -0.0013 C 0 0 0
- -2.5175 0.8354 0.0007 C 0 0 0
- -0.1050 0.2270 0.0001 C 0 0 0
- -1.8967 -1.5002 0.0012 C 0 0 0
- -3.8528 0.4713 -0.0006 C 0 0 0
- 0.8428 -0.7244 -0.0018 C 0 0 0
- -3.2311 -1.8504 0.0056 C 0 0 0
- -4.2076 -0.8715 -0.0040 C 0 0 0
- -4.8176 1.4285 0.0018 O 0 0 0
- 2.2664 -0.3457 -0.0004 C 0 0 0
- -6.0743 0.7483 -0.0005 C 0 0 0
- 3.2546 -1.3346 -0.0025 C 0 0 0
- 2.6328 1.0037 -0.0029 C 0 0 0
- 4.5848 -0.9765 -0.0011 C 0 0 0
- 3.9648 1.3537 -0.0015 C 0 0 0
- 4.9452 0.3667 0.0023 C 0 0 0
- 6.2932 0.7253 0.0037 N 0 0 0
- -2.2499 1.8437 0.0000 H 0 0 0
- 0.1669 1.2342 0.0000 H 0 0 0
- -1.1625 -2.2413 0.0000 H 0 0 0
- 0.5709 -1.7316 0.0000 H 0 0 0
- -3.5043 -2.8572 0.0000 H 0 0 0
- -5.2150 -1.1426 0.0000 H 0 0 0
- -6.5709 1.6657 0.0000 H 0 0 0
- -6.9917 0.2517 0.0000 H 0 0 0
- -5.5777 -0.1691 0.0000 H 0 0 0
- 2.9850 -2.3424 0.0000 H 0 0 0
- 1.8982 1.7444 0.0000 H 0 0 0
- 5.3228 -1.7139 0.0000 H 0 0 0
- 4.2389 2.3602 0.0000 H 0 0 0
- 7.0295 -0.0137 0.0000 H 0 0 0
- 6.5650 1.7325 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 16 17 1 0
- 7 8 2 0
- 15 16 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-618-87-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.1985 -0.0597 -0.0036 C 0 0 0
- 0.0002 -0.7495 -0.0029 C 0 0 0
- 1.2020 1.3216 -0.0020 C 0 0 0
- 2.4789 -0.8022 0.0002 N 0 3 0
- -1.1985 -0.0595 -0.0006 C 0 0 0
- 0.0001 2.0175 0.0002 C 0 0 0
- 3.5349 -0.1952 -0.0004 O 0 0 0
- 2.4765 -2.0202 0.0040 O 0 5 0
- -1.2022 1.3213 0.0005 C 0 0 0
- -2.4789 -0.8022 0.0001 N 0 3 0
- 0.0000 3.4143 0.0018 N 0 0 0
- -3.5349 -0.1953 0.0021 O 0 0 0
- -2.4765 -2.0202 -0.0013 O 0 5 0
- 0.0002 -1.7865 0.0000 H 0 0 0
- 2.1010 1.8384 0.0000 H 0 0 0
- -2.1013 1.8380 0.0000 H 0 0 0
- 0.8980 3.9329 0.0000 H 0 0 0
- -0.8981 3.9327 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 10 12 2 0
- 10 13 1 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4460-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -1.2073 -0.4509 0.1080 C 0 0 0
- -1.1230 0.9398 0.2925 C 0 0 0
- -0.0326 -1.2124 0.0162 C 0 0 0
- -2.5157 -1.1032 0.0182 C 0 0 0
- 0.1171 1.5483 0.3822 C 0 0 0
- -2.2539 1.6838 0.3828 O 0 0 0
- 1.1949 -0.5939 0.1071 C 0 0 0
- -2.5853 -2.3041 -0.1411 O 0 0 0
- 1.2729 0.7887 0.2904 C 0 0 0
- -2.6179 2.0456 -0.9509 C 0 0 0
- 2.3346 -1.3318 0.0181 O 0 0 0
- 2.4861 1.3911 0.3791 O 0 0 0
- 1.9333 -2.6911 -0.1645 C 0 0 0
- 3.0030 1.4765 -0.9504 C 0 0 0
- -0.0886 -2.2443 0.0000 H 0 0 0
- -3.3784 -0.5342 0.0000 H 0 0 0
- 0.1818 2.5797 0.0000 H 0 0 0
- -1.8894 2.7786 0.0000 H 0 0 0
- -3.3509 2.7741 0.0000 H 0 0 0
- -3.3464 1.3126 0.0000 H 0 0 0
- 0.9421 -2.3985 0.0000 H 0 0 0
- 1.6407 -3.6823 0.0000 H 0 0 0
- 2.9245 -2.9837 0.0000 H 0 0 0
- 3.1715 0.4569 0.0000 H 0 0 0
- 4.0226 1.6450 0.0000 H 0 0 0
- 2.8345 2.4961 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 7 9 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 1.0470 -0.8720 -0.0109 C 0 0 0
- -0.2600 -2.0533 -0.0450 S 0 0 0
- 1.8700 -0.7842 1.0960 C 0 0 0
- 1.2524 -0.0373 -1.0938 C 0 0 0
- -1.6045 -1.3224 0.5877 N 0 0 0
- -0.5489 -2.2698 -1.4194 O 0 0 0
- 0.1062 -3.0613 0.8872 O 0 0 0
- 2.8959 0.1420 1.1232 C 0 0 0
- 2.2776 0.8890 -1.0678 C 0 0 0
- -2.1087 -0.2174 0.0035 C 0 0 0
- 3.0986 0.9811 0.0422 C 0 0 0
- -3.2030 0.3775 0.5184 N 0 0 0
- -1.5764 0.2428 -0.9881 O 0 0 0
- 4.3866 2.1445 0.0756 Cl 0 0 0
- -3.7511 1.5785 -0.1166 C 0 0 0
- -4.9827 2.0490 0.6598 C 0 0 0
- -5.5551 3.3034 -0.0034 C 0 0 0
- 2.2512 -1.6371 0.0000 H 0 0 0
- 0.4505 0.4419 0.0000 H 0 0 0
- -2.2877 -1.9595 0.0000 H 0 0 0
- 3.6987 -0.3357 0.0000 H 0 0 0
- 1.8939 1.7407 0.0000 H 0 0 0
- -3.8862 -0.2596 0.0000 H 0 0 0
- -2.8294 1.7308 0.0000 H 0 0 0
- -3.6573 2.5079 0.0000 H 0 0 0
- -5.9044 1.8967 0.0000 H 0 0 0
- -5.0765 1.1196 0.0000 H 0 0 0
- -4.7052 3.6912 0.0000 H 0 0 0
- -5.9429 4.1533 0.0000 H 0 0 0
- -6.4050 2.9156 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 9 11 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 8 21 1 0
- 9 22 1 0
- 12 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50648-96-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -1.4747 0.2202 0.0083 C 0 0 0
- -2.6269 0.9853 -0.1089 C 0 0 0
- -0.2548 0.8199 -0.0090 O 0 0 0
- -1.5700 -1.1563 0.1490 C 0 0 0
- -3.8665 0.3732 -0.0905 C 0 0 0
- -2.5117 2.7092 -0.2779 Cl 0 0 0
- 0.7176 -0.2181 0.1293 C 0 0 0
- -2.8107 -1.7634 0.1722 C 0 0 0
- -3.9582 -1.0006 0.0447 C 0 0 0
- 2.0994 0.3833 0.1174 C 0 0 0
- -5.5157 -1.7672 0.0676 Cl 0 0 0
- 3.1813 -0.4116 0.2352 N 0 0 0
- 2.2378 1.5826 0.0019 O 0 0 0
- 4.5246 0.1730 0.2236 C 0 0 2
- 5.4992 -0.8190 -0.3570 C 0 0 0
- 4.9419 0.5204 1.6540 C 0 0 0
- 6.7979 -0.4983 -0.4670 O 0 0 0
- 5.1115 -1.9031 -0.7236 O 0 0 0
- -0.7110 -1.7344 0.0000 H 0 0 0
- -4.7272 0.9487 0.0000 H 0 0 0
- -0.1137 -0.8353 0.0000 H 0 0 0
- 1.2362 -1.1143 0.0000 H 0 0 0
- -2.8788 -2.7966 0.0000 H 0 0 0
- 3.0660 -1.4406 0.0000 H 0 0 0
- 3.9813 1.0544 0.0000 H 0 0 0
- 5.6044 -0.2753 0.0000 H 0 0 0
- 5.7376 1.1829 0.0000 H 0 0 0
- 4.2794 1.3161 0.0000 H 0 0 0
- 7.8031 -0.2501 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 14 12 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 8 9 1 0
- 4 19 1 0
- 5 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 12 24 1 0
- 14 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-147151-67-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 81 85 1 V2000
- 6.4940 0.6600 -0.0832 C 0 0 2
- 5.5436 -0.5293 0.0681 C 0 0 1
- 7.7399 0.4197 0.7692 C 0 0 1
- 5.7808 1.9176 0.4269 C 0 0 0
- 4.2969 -0.3346 -0.7792 C 0 0 2
- 6.2455 -1.8231 -0.3484 C 0 0 0
- 8.4407 -0.8536 0.2965 C 0 0 2
- 8.7170 1.5900 0.6474 C 0 0 0
- 4.4849 2.0866 -0.3109 C 0 0 0
- 3.8334 1.0906 -0.8358 C 0 0 0
- 3.1624 -1.2188 -0.2535 C 0 0 0
- 4.6132 -0.7902 -2.2052 C 0 0 0
- 7.5017 -2.0416 0.4990 C 0 0 0
- 9.6948 -1.0341 1.0093 N 0 0 0
- 8.7362 -0.7279 -1.1994 C 0 0 0
- 9.8448 1.3797 1.6625 C 0 0 0
- 2.5228 1.3830 -1.5469 C 0 0 0
- 1.9119 -1.0000 -1.1075 C 0 0 0
- 10.3539 -0.0306 1.5962 C 0 0 0
- 1.4471 0.4517 -0.9798 C 0 0 2
- 11.4270 -0.2742 2.1061 O 0 0 0
- 0.2312 0.6285 -1.7095 O 0 0 0
- -0.7785 0.3678 -0.8536 C 0 0 0
- -2.1652 0.4641 -1.3078 C 0 0 0
- -0.5355 0.0528 0.2957 O 0 0 0
- -3.1750 0.2034 -0.4520 C 0 0 0
- -4.5707 0.3003 -0.9091 C 0 0 0
- -5.6190 0.0309 -0.0248 C 0 0 0
- -4.8535 0.6679 -2.2286 C 0 0 0
- -6.9299 0.1245 -0.4638 C 0 0 0
- -6.1629 0.7576 -2.6535 C 0 0 0
- -7.9817 -0.1436 0.4158 N 0 0 0
- -7.1990 0.4849 -1.7798 C 0 0 0
- -8.6519 -1.4459 0.3808 C 0 0 0
- -8.4144 0.8774 1.3732 C 0 0 0
- -7.7231 -2.5133 0.9628 C 0 0 0
- -9.3821 1.8431 0.6863 C 0 0 0
- -8.5480 -4.1159 0.9198 Cl 0 0 0
- -9.9146 3.0996 1.8645 Cl 0 0 0
- 7.0657 1.4562 0.0000 H 0 0 0
- 4.9786 -1.3302 0.0000 H 0 0 0
- 7.1632 -0.3728 0.0000 H 0 0 0
- 6.7170 2.2079 0.0000 H 0 0 0
- 5.6971 2.8942 0.0000 H 0 0 0
- 5.3019 -2.0883 0.0000 H 0 0 0
- 6.2954 -2.8020 0.0000 H 0 0 0
- 9.0575 2.5091 0.0000 H 0 0 0
- 7.8690 2.0815 0.0000 H 0 0 0
- 4.0755 2.9771 0.0000 H 0 0 0
- 2.7642 -2.1144 0.0000 H 0 0 0
- 3.9346 -1.8225 0.0000 H 0 0 0
- 3.8081 -1.3492 0.0000 H 0 0 0
- 5.1722 -1.5953 0.0000 H 0 0 0
- 5.4183 -0.2312 0.0000 H 0 0 0
- 7.1769 -2.9664 0.0000 H 0 0 0
- 8.3603 -2.5144 0.0000 H 0 0 0
- 10.0975 -1.9277 0.0000 H 0 0 0
- 9.1199 -1.6298 0.0000 H 0 0 0
- 9.6381 -0.3442 0.0000 H 0 0 0
- 8.3525 0.1740 0.0000 H 0 0 0
- 10.8109 1.5450 0.0000 H 0 0 0
- 9.8521 2.3598 0.0000 H 0 0 0
- 2.9333 2.2731 0.0000 H 0 0 0
- 1.7394 1.9720 0.0000 H 0 0 0
- 0.9426 -1.1453 0.0000 H 0 0 0
- 1.9000 -1.9801 0.0000 H 0 0 0
- 1.1719 1.3924 0.0000 H 0 0 0
- -2.2549 1.4401 0.0000 H 0 0 0
- -3.0853 -0.7726 0.0000 H 0 0 0
- -5.5308 -0.9453 0.0000 H 0 0 0
- -4.3907 1.5319 0.0000 H 0 0 0
- -6.2554 1.7334 0.0000 H 0 0 0
- -8.1243 0.8081 0.0000 H 0 0 0
- -9.4599 -0.8910 0.0000 H 0 0 0
- -9.3042 -2.1774 0.0000 H 0 0 0
- -7.4343 0.8831 0.0000 H 0 0 0
- -8.0424 1.7842 0.0000 H 0 0 0
- -6.9151 -3.0682 0.0000 H 0 0 0
- -7.0707 -1.7818 0.0000 H 0 0 0
- -10.3622 1.8374 0.0000 H 0 0 0
- -9.7541 0.9363 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 24 26 2 0
- 26 27 1 0
- 27 28 1 0
- 27 29 2 0
- 28 30 2 0
- 29 31 1 0
- 30 32 1 0
- 30 33 1 0
- 32 34 1 0
- 32 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 37 39 1 0
- 7 13 1 0
- 9 10 2 0
- 16 19 1 0
- 18 20 1 0
- 31 33 2 0
- 1 40 1 0
- 2 41 1 0
- 3 42 1 0
- 4 43 1 0
- 4 44 1 0
- 6 45 1 0
- 6 46 1 0
- 8 47 1 0
- 8 48 1 0
- 9 49 1 0
- 11 50 1 0
- 11 51 1 0
- 12 52 1 0
- 12 53 1 0
- 12 54 1 0
- 13 55 1 0
- 13 56 1 0
- 14 57 1 0
- 15 58 1 0
- 15 59 1 0
- 15 60 1 0
- 16 61 1 0
- 16 62 1 0
- 17 63 1 0
- 17 64 1 0
- 18 65 1 0
- 18 66 1 0
- 20 67 1 0
- 24 68 1 0
- 26 69 1 0
- 28 70 1 0
- 29 71 1 0
- 31 72 1 0
- 33 73 1 0
- 34 74 1 0
- 34 75 1 0
- 35 76 1 0
- 35 77 1 0
- 36 78 1 0
- 36 79 1 0
- 37 80 1 0
- 37 81 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68-11-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.9555 0.0007 -0.0012 C 0 0 0
- -0.2162 0.9484 0.0016 C 0 0 0
- 2.2084 0.4823 -0.0004 O 0 0 0
- 0.7671 -1.1928 0.0008 O 0 0 0
- -1.7619 -0.0010 -0.0004 S 0 0 0
- 0.5453 1.6979 0.0000 H 0 0 0
- -0.8748 1.7898 0.0000 H 0 0 0
- 3.2057 0.8657 0.0000 H 0 0 0
- -2.6723 -0.5602 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-42308-20-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.8203 0.2388 0.0205 C 0 0 0
- 0.4232 0.1630 0.0425 N 0 0 0
- 2.5328 -0.3505 -1.0154 C 0 0 0
- 2.4969 0.9087 1.0317 C 0 0 0
- -0.1876 -1.0368 -0.0203 C 0 0 0
- 3.9119 -0.2739 -1.0342 C 0 0 0
- 3.8756 0.9818 1.0071 C 0 0 0
- -1.6889 -1.1134 -0.1258 C 0 0 0
- 0.4711 -2.0549 0.0080 O 0 0 0
- 4.5827 0.3888 -0.0231 C 0 0 0
- -2.2460 -1.8808 1.0749 C 0 0 0
- -2.4379 0.7042 -0.1466 Br 0 0 0
- -0.1003 0.9672 0.0000 H 0 0 0
- 2.2330 -1.2621 0.0000 H 0 0 0
- 2.1085 1.7862 0.0000 H 0 0 0
- 4.3009 -1.1511 0.0000 H 0 0 0
- 4.1797 1.8919 0.0000 H 0 0 0
- -1.2314 -1.9569 0.0000 H 0 0 0
- 5.5415 0.4279 0.0000 H 0 0 0
- -3.0225 -1.3171 0.0000 H 0 0 0
- -2.8097 -2.6573 0.0000 H 0 0 0
- -1.4695 -2.4445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 8 12 1 0
- 7 10 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-157730-37-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.8881 0.5234 0.0039 C 0 0 0
- -0.7665 -0.8889 0.0031 C 0 0 0
- 0.2377 1.3125 0.0029 C 0 0 0
- -2.2483 0.7929 0.0000 N 0 0 0
- 0.4272 -1.4634 0.0015 N 0 0 0
- -2.0219 -1.3894 0.0044 N 0 0 0
- 1.4944 0.6763 0.0011 C 0 0 0
- -2.8944 -0.4104 -0.0028 C 0 0 0
- -2.8739 2.1176 -0.0004 C 0 0 0
- 1.5476 -0.7405 0.0005 C 0 0 0
- 2.6239 1.3900 -0.0003 N 0 0 0
- -4.2594 -0.5717 -0.0064 N 0 0 0
- 2.8108 -1.3685 -0.0017 C 0 0 0
- 3.7982 0.8075 -0.0024 C 0 0 0
- 3.9250 -0.5805 -0.0032 C 0 0 0
- 0.1642 2.3407 0.0000 H 0 0 0
- -1.9417 2.5578 0.0000 H 0 0 0
- -3.3141 3.0498 0.0000 H 0 0 0
- -3.8061 1.6774 0.0000 H 0 0 0
- -4.8760 0.2544 0.0000 H 0 0 0
- -4.6665 -1.5188 0.0000 H 0 0 0
- 2.8902 -2.3963 0.0000 H 0 0 0
- 4.6486 1.3902 0.0000 H 0 0 0
- 4.8611 -1.0122 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 6 8 2 0
- 7 10 1 0
- 14 15 1 0
- 3 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-48-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -1.9236 0.2795 -0.0744 S 0 0 0
- -2.8390 -0.5603 -0.7643 O 0 0 0
- -1.5869 1.6092 -0.4458 O 0 0 0
- -2.4394 0.3675 1.3548 O 0 0 0
- -0.4007 -0.6057 -0.0313 C 0 0 0
- 0.8200 0.0908 -0.0173 C 0 0 0
- -0.4021 -1.9666 -0.0058 C 0 0 0
- 2.0317 -0.6432 0.0174 C 0 0 0
- 0.8521 1.4272 -0.0357 N 0 0 0
- 0.7903 -2.6861 0.0284 C 0 0 0
- 1.9924 -2.0464 0.0366 C 0 0 0
- 3.2533 0.0564 0.0313 C 0 0 0
- 1.9878 2.0817 -0.0223 C 0 0 0
- 3.2143 1.4214 0.0107 C 0 0 0
- -3.4535 0.5405 0.0000 H 0 0 0
- -1.2982 -2.4719 0.0000 H 0 0 0
- 0.7626 -3.7145 0.0000 H 0 0 0
- 2.8668 -2.5884 0.0000 H 0 0 0
- 4.1506 -0.4468 0.0000 H 0 0 0
- 1.9729 3.1103 0.0000 H 0 0 0
- 4.0899 1.9615 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 12 2 0
- 10 11 1 0
- 13 14 1 0
- 4 15 1 0
- 7 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-631-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.1050 1.7257 -0.0702 C 0 0 0
- 0.0346 0.3193 -0.6070 C 0 0 0
- 1.1727 2.4937 -0.3382 O 0 0 0
- -0.8020 2.1636 0.5973 O 0 0 0
- 1.5534 -0.7218 0.0818 Br 0 0 0
- -1.6486 -0.5182 -0.0319 Br 0 0 0
- 0.9810 0.7881 0.0000 H 0 0 0
- 2.0301 3.1104 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25799-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- 1.1083 0.4947 -0.2393 C 0 0 0
- 0.2257 -0.5619 -0.5371 C 0 0 0
- 2.4226 0.2003 0.2076 C 0 0 0
- 0.7066 1.8347 -0.3845 C 0 0 0
- 0.6995 -1.8785 -0.3737 C 0 0 0
- -1.0590 -0.3158 -0.9743 N 0 0 0
- 2.8283 -1.0600 0.3473 N 0 0 0
- 3.2986 1.2712 0.5030 C 0 0 0
- 1.5780 2.8372 -0.0908 C 0 0 0
- -0.6653 2.1544 -0.8576 N 0 3 0
- 2.0288 -2.0903 0.0782 C 0 0 0
- -0.1241 -2.9829 -0.6517 C 0 0 0
- -1.9244 -0.3601 0.2120 C 0 0 0
- 2.8692 2.5567 0.3547 C 0 0 0
- 4.5631 1.0195 0.9324 O 0 0 0
- -0.9744 1.9432 -2.0166 O 0 0 0
- -1.4806 2.6277 -0.0864 O 0 5 0
- 2.4909 -3.4131 0.2376 C 0 0 0
- 0.3601 -4.2434 -0.4854 C 0 0 0
- -3.3879 -0.2497 -0.2201 C 0 0 0
- 5.1880 2.2874 1.1424 C 0 0 0
- 1.6652 -4.4559 -0.0408 C 0 0 0
- -4.2892 -0.2958 1.0154 C 0 0 0
- -5.6945 -0.1899 0.6006 N 0 0 0
- -6.5016 -0.2403 1.8269 C 0 0 0
- -5.8677 1.1553 0.0362 C 0 0 0
- -0.9893 0.6916 0.0000 H 0 0 0
- 1.2597 3.7956 0.0000 H 0 0 0
- -1.1245 -2.8450 0.0000 H 0 0 0
- -2.4580 -1.2174 0.0000 H 0 0 0
- -1.4116 -1.2301 0.0000 H 0 0 0
- 3.5435 3.3084 0.0000 H 0 0 0
- 3.4867 -3.5808 0.0000 H 0 0 0
- -0.2770 -5.0269 0.0000 H 0 0 0
- -2.8543 0.6076 0.0000 H 0 0 0
- -3.9007 0.6203 0.0000 H 0 0 0
- 6.0938 1.8410 0.0000 H 0 0 0
- 5.6344 3.1932 0.0000 H 0 0 0
- 4.2822 2.7338 0.0000 H 0 0 0
- 2.0302 -5.3975 0.0000 H 0 0 0
- -4.8228 -1.1532 0.0000 H 0 0 0
- -3.7764 -1.1658 0.0000 H 0 0 0
- -6.5645 0.7676 0.0000 H 0 0 0
- -7.5095 -0.3032 0.0000 H 0 0 0
- -6.4387 -1.2482 0.0000 H 0 0 0
- -4.8661 1.2843 0.0000 H 0 0 0
- -5.9967 2.1569 0.0000 H 0 0 0
- -6.8693 1.0263 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 15 21 1 0
- 18 22 2 0
- 20 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 7 11 1 0
- 9 14 1 0
- 19 22 1 0
- 6 27 1 0
- 9 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 25 43 1 0
- 25 44 1 0
- 25 45 1 0
- 26 46 1 0
- 26 47 1 0
- 26 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50285-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.6056 0.0065 -0.2295 N 0 0 0
- -0.6134 0.5808 -0.2042 C 0 0 0
- 1.7953 0.8237 -0.4808 C 0 0 0
- 0.7254 -1.2619 -0.0271 N 0 0 0
- -1.6923 -0.1436 0.1531 N 0 0 0
- -0.7397 1.7515 -0.5034 O 0 0 0
- 2.3486 1.3413 0.8484 C 0 0 0
- 1.8270 -1.7809 -0.0499 O 0 0 0
- -2.0971 -0.2100 1.5595 C 0 0 0
- -2.4603 -0.8646 -0.8650 C 0 0 0
- 1.9122 -0.0821 0.0000 H 0 0 0
- 2.6547 0.5147 0.0000 H 0 0 0
- 2.9725 0.6743 0.0000 H 0 0 0
- 3.0156 1.9652 0.0000 H 0 0 0
- 1.7247 2.0083 0.0000 H 0 0 0
- -2.2449 0.6913 0.0000 H 0 0 0
- -2.9984 -0.3578 0.0000 H 0 0 0
- -1.9493 -1.1113 0.0000 H 0 0 0
- -3.0854 -0.1987 0.0000 H 0 0 0
- -3.1262 -1.4897 0.0000 H 0 0 0
- -1.8352 -1.5305 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 3 11 1 0
- 3 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5275-46-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.2339 -0.3730 0.0000 C 0 0 0
- -1.1069 0.2175 0.0000 N 0 3 0
- 1.2375 0.6942 0.0000 N 0 0 0
- 0.4099 -1.2386 1.2493 C 0 0 0
- 0.4099 -1.2387 -1.2492 C 0 0 0
- -1.2390 1.4283 0.0000 O 0 0 0
- -2.0894 -0.5023 0.0000 O 0 5 0
- 2.4231 0.4152 0.0000 O 0 0 0
- -0.4853 -1.4206 0.0000 H 0 0 0
- 0.5919 -2.1338 0.0000 H 0 0 0
- 1.3051 -1.0566 0.0000 H 0 0 0
- -0.4853 -1.4207 0.0000 H 0 0 0
- 0.5919 -2.1339 0.0000 H 0 0 0
- 1.3051 -1.0567 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28564-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.6416 -0.8970 -0.1732 C 0 0 0
- -0.7349 -0.6255 0.0095 C 0 0 0
- 1.5619 0.2904 -0.3710 C 0 0 0
- 1.0686 -2.0344 -0.1666 O 0 0 0
- -1.1664 0.6478 0.0766 C 0 0 0
- -1.6237 -1.6527 0.1171 O 0 0 0
- 0.7043 1.4473 -0.9017 C 0 0 0
- 2.1379 0.6607 0.8833 O 0 0 0
- -0.3521 1.7091 0.0184 O 0 0 0
- -2.6461 0.8920 0.2247 C 0 0 0
- 2.2464 -0.4571 0.0000 H 0 0 0
- -2.2869 -2.4192 0.0000 H 0 0 0
- 1.6584 1.7894 0.0000 H 0 0 0
- 0.6530 2.4595 0.0000 H 0 0 0
- 2.9905 1.2088 0.0000 H 0 0 0
- -2.4811 1.8920 0.0000 H 0 0 0
- -3.6461 1.0570 0.0000 H 0 0 0
- -2.8111 -0.1080 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 9 1 0
- 3 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4081-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.0885 0.4669 0.2353 P 0 0 0
- -1.2600 1.1948 0.7039 O 0 0 0
- 1.4046 1.2740 0.6918 O 0 0 0
- -0.1449 -0.8604 1.1140 O 0 0 0
- 0.0942 0.1834 -1.2173 O 0 0 0
- -2.3255 0.4978 0.2430 C 0 0 0
- 2.4746 0.5670 0.2421 C 0 0 0
- -1.0552 -1.6726 0.3723 C 0 0 0
- -2.2947 -0.8728 0.0579 C 0 0 0
- -3.4919 1.2004 -0.0521 C 0 0 0
- 2.9985 0.8249 -1.0161 C 0 0 0
- 3.0484 -0.4100 1.0431 C 0 0 0
- -3.4123 -1.5347 -0.4197 C 0 0 0
- -4.6039 0.5366 -0.5269 C 0 0 0
- 4.0864 0.1048 -1.4710 C 0 0 0
- 4.1358 -1.1271 0.5837 C 0 0 0
- -4.5661 -0.8329 -0.7118 C 0 0 0
- 4.6527 -0.8721 -0.6733 C 0 0 0
- -1.6555 -2.4416 0.0000 H 0 0 0
- -0.3431 -2.3394 0.0000 H 0 0 0
- -3.4900 2.1759 0.0000 H 0 0 0
- 3.0605 1.7985 0.0000 H 0 0 0
- 2.3409 -1.0817 0.0000 H 0 0 0
- -3.4180 -2.5102 0.0000 H 0 0 0
- -5.4588 1.0065 0.0000 H 0 0 0
- 4.7964 0.7738 0.0000 H 0 0 0
- 4.0750 -2.1008 0.0000 H 0 0 0
- -5.4098 -1.3227 0.0000 H 0 0 0
- 5.5865 -1.1544 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 15 18 2 0
- 8 9 1 0
- 14 17 2 0
- 16 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-64-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.0054 0.2181 -0.0971 C 0 0 0
- 0.8156 -0.8444 0.0317 C 0 0 0
- 0.8048 1.4424 -0.2026 C 0 0 0
- -1.4795 0.1614 -0.1328 C 0 0 0
- 2.2277 -0.3076 0.0112 C 0 0 0
- 0.4040 -2.2876 0.1688 C 0 0 0
- 2.1123 1.1345 -0.1391 O 0 0 0
- 0.3583 2.5652 -0.3290 O 0 0 0
- -2.1734 -0.0456 1.0032 O 0 0 0
- -2.0674 0.3015 -1.1868 O 0 0 0
- 2.9146 -0.6284 1.3402 C 0 0 0
- 0.3002 -2.9224 -1.2194 C 0 0 0
- -3.6239 -0.1013 0.9681 C 0 0 0
- 2.1906 -1.3144 0.0000 H 0 0 0
- -0.3243 -1.5915 0.0000 H 0 0 0
- -0.5514 -2.6073 0.0000 H 0 0 0
- 2.4883 -1.5412 0.0000 H 0 0 0
- 3.8274 -1.0547 0.0000 H 0 0 0
- 3.3409 0.2844 0.0000 H 0 0 0
- -0.6940 -2.7598 0.0000 H 0 0 0
- 0.1376 -3.9166 0.0000 H 0 0 0
- 1.2944 -3.0850 0.0000 H 0 0 0
- -3.6626 0.9054 0.0000 H 0 0 0
- -4.6306 -0.1400 0.0000 H 0 0 0
- -3.5852 -1.1080 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 9 13 1 0
- 5 7 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36274-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.7230 0.7269 -0.0600 C 0 0 0
- 0.4793 -0.6355 -0.0699 C 0 0 0
- 2.2108 0.9830 -0.1101 C 0 0 0
- -0.3571 1.5932 -0.0038 C 0 0 0
- -0.7733 -1.0641 -0.0305 N 0 0 0
- 1.7896 -1.3873 -0.1281 C 0 0 0
- 2.8648 -0.3590 0.2846 C 0 0 0
- -1.5811 1.0917 0.0384 N 0 0 0
- -1.7769 -0.2117 0.0174 C 0 0 0
- -3.1870 -0.7416 0.0606 C 0 0 0
- 3.1830 1.3480 0.0000 H 0 0 0
- 1.9390 1.9852 0.0000 H 0 0 0
- -0.2085 2.6210 0.0000 H 0 0 0
- 1.1892 -2.2346 0.0000 H 0 0 0
- 2.5757 -2.0658 0.0000 H 0 0 0
- 3.5014 -1.1794 0.0000 H 0 0 0
- 3.7465 0.1897 0.0000 H 0 0 0
- -3.5523 0.2305 0.0000 H 0 0 0
- -4.1591 -1.1069 0.0000 H 0 0 0
- -2.8217 -1.7137 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 1 0
- 8 9 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.0889 0.3448 0.0137 C 0 0 0
- 0.7204 -0.9168 0.0996 C 0 0 0
- 0.4641 1.5443 -0.0529 C 0 0 0
- -1.5547 0.2423 -0.0030 C 0 0 0
- 2.0885 -0.6869 -0.3750 N 0 0 0
- 1.9583 1.7274 -0.0499 C 0 0 0
- -2.1465 -0.9673 0.0582 O 0 0 0
- -2.2334 1.2481 -0.0720 O 0 0 0
- 2.6262 0.4305 0.4147 C 0 0 0
- 2.8681 -1.8767 -0.0081 C 0 0 0
- -3.5949 -1.0686 0.0416 C 0 0 0
- -0.2468 -1.3671 0.0000 H 0 0 0
- 1.0368 -1.9356 0.0000 H 0 0 0
- -0.1647 2.4061 0.0000 H 0 0 0
- 2.9576 2.1009 0.0000 H 0 0 0
- 1.7049 2.7637 0.0000 H 0 0 0
- 3.4663 -0.2270 0.0000 H 0 0 0
- 3.4482 1.1105 0.0000 H 0 0 0
- 1.9757 -2.4614 0.0000 H 0 0 0
- 3.4528 -2.7691 0.0000 H 0 0 0
- 3.7604 -1.2920 0.0000 H 0 0 0
- -3.6693 -0.0044 0.0000 H 0 0 0
- -4.6591 -1.1430 0.0000 H 0 0 0
- -3.5205 -2.1328 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 6 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17096-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- -0.8203 1.4410 -0.8798 C 0 0 0
- -1.7720 0.6978 -0.0502 N 0 0 0
- 0.5864 1.2969 -0.2957 C 0 0 0
- -1.7482 -0.7030 -0.0408 N 0 3 0
- -2.7484 1.4194 0.7696 C 0 0 0
- 1.0158 -0.0607 -0.4167 O 0 0 0
- -2.5394 -1.3208 0.6490 O 0 0 0
- -0.9364 -1.3029 -0.7223 O 0 5 0
- 2.3167 -0.1295 0.1381 N 0 3 0
- 2.9147 -1.1904 0.1587 O 0 0 0
- 2.8378 0.8722 0.5949 O 0 5 0
- -0.4900 2.2910 0.0000 H 0 0 0
- -1.5522 1.9851 0.0000 H 0 0 0
- 1.4852 1.4514 0.0000 H 0 0 0
- 0.5553 2.2083 0.0000 H 0 0 0
- -2.2064 2.1528 0.0000 H 0 0 0
- -3.4818 1.9614 0.0000 H 0 0 0
- -3.2904 0.6860 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 6 9 1 0
- 9 10 2 0
- 9 11 1 0
- 1 12 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94500-44-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.3637 -0.8750 -0.0430 C 0 0 0
- -1.0079 -1.1756 -0.1200 C 0 0 0
- 0.7992 0.4512 -0.2126 C 0 0 0
- 1.3277 -1.9447 0.2192 C 0 0 0
- -1.9341 -0.1367 -0.3677 C 0 0 0
- -1.4530 -2.5058 0.0497 C 0 0 0
- 2.2315 0.7292 -0.1265 C 0 0 0
- -0.1419 1.4687 -0.4578 C 0 0 0
- 2.6785 -1.6485 0.2946 C 0 0 0
- 0.8338 -3.3108 0.3958 C 0 0 0
- -1.4667 1.1862 -0.5333 C 0 0 0
- -3.2974 -0.4479 -0.4423 C 0 0 0
- -0.4883 -3.5723 0.3061 C 0 0 0
- -2.8207 -2.7742 -0.0321 C 0 0 0
- 3.1374 -0.3322 0.1230 C 0 0 0
- 2.7204 2.0314 -0.2884 C 0 0 0
- -2.4510 2.2963 -0.7975 C 0 0 0
- -3.7186 -1.7502 -0.2753 C 0 0 0
- 4.5154 -0.0481 0.2022 C 0 0 0
- 4.0601 2.2684 -0.2052 C 0 0 0
- -2.9957 3.0021 0.7696 Cl 0 0 0
- 4.9544 1.2292 0.0397 C 0 0 0
- 0.1742 2.4652 0.0000 H 0 0 0
- 3.3722 -2.4306 0.0000 H 0 0 0
- 1.5149 -4.1039 0.0000 H 0 0 0
- -4.0032 0.3233 0.0000 H 0 0 0
- -0.8173 -4.5646 0.0000 H 0 0 0
- -3.1580 -3.7637 0.0000 H 0 0 0
- 2.0522 2.8354 0.0000 H 0 0 0
- -3.4837 2.1335 0.0000 H 0 0 0
- -2.8041 1.3123 0.0000 H 0 0 0
- -4.7424 -1.9615 0.0000 H 0 0 0
- 5.2059 -0.8330 0.0000 H 0 0 0
- 4.4112 3.2531 0.0000 H 0 0 0
- 5.9811 1.4264 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84-68-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7409 -0.6845 -0.0311 C 0 0 0
- -0.7409 -0.6845 0.0313 C 0 0 0
- 1.4644 0.3611 0.5427 C 0 0 0
- 1.4133 -1.7324 -0.6584 C 0 0 0
- -1.4644 0.3613 -0.5424 C 0 0 0
- -1.4134 -1.7325 0.6584 C 0 0 0
- 2.8433 0.3581 0.4834 C 0 0 0
- 0.6313 1.6649 1.3300 Cl 0 0 0
- 2.7907 -1.7308 -0.7150 C 0 0 0
- -2.8432 0.3583 -0.4831 C 0 0 0
- -0.6313 1.6646 -1.3304 Cl 0 0 0
- -2.7908 -1.7308 0.7149 C 0 0 0
- 3.5101 -0.6852 -0.1472 C 0 0 0
- -3.5101 -0.6851 0.1473 C 0 0 0
- 4.9052 -0.6861 -0.2064 N 0 0 0
- -4.9052 -0.6859 0.2066 N 0 0 0
- 0.9184 -2.6392 0.0000 H 0 0 0
- -0.9186 -2.6393 0.0000 H 0 0 0
- 3.3405 1.2636 0.0000 H 0 0 0
- 3.2720 -2.6449 0.0000 H 0 0 0
- -3.3404 1.2638 0.0000 H 0 0 0
- -3.2722 -2.6448 0.0000 H 0 0 0
- 5.4211 -1.5811 0.0000 H 0 0 0
- 5.4223 0.2082 0.0000 H 0 0 0
- -5.4222 0.2085 0.0000 H 0 0 0
- -5.4212 -1.5808 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 9 13 1 0
- 12 14 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108612-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 61 1 V2000
- 2.7270 0.8854 0.7977 N 0 0 0
- 1.4969 1.2058 0.2990 C 0 0 0
- 3.6237 1.8237 0.3136 C 0 0 0
- 3.0391 -0.2379 1.6849 C 0 0 0
- 0.3339 0.5092 0.5510 N 0 0 0
- 1.5863 2.2736 -0.4541 N 0 0 0
- 2.8752 2.7035 -0.4853 C 0 0 0
- 4.9877 2.0194 0.4681 C 0 0 0
- 3.3951 -1.4468 0.8586 C 0 0 0
- -0.5906 1.4502 1.1923 C 0 0 0
- -0.2372 0.1565 -0.7532 C 0 0 0
- 3.5158 3.7715 -1.1184 C 0 0 0
- 5.6055 3.0787 -0.1641 C 0 0 0
- 4.6888 -1.6136 0.4002 C 0 0 0
- 2.4293 -2.3908 0.5641 C 0 0 0
- -1.9149 0.7477 1.4980 C 0 0 0
- -1.5421 -0.6173 -0.5547 C 0 0 0
- 4.8709 3.9509 -0.9535 C 0 0 0
- 5.0164 -2.7216 -0.3576 C 0 0 0
- 2.7546 -3.5000 -0.1937 C 0 0 0
- -2.5465 0.2706 0.1865 C 0 0 0
- 4.0483 -3.6652 -0.6579 C 0 0 0
- -3.7568 -0.5009 0.4797 N 0 0 0
- 4.3675 -4.7490 -1.3987 F 0 0 0
- -4.9674 -0.0867 -0.0073 C 0 0 0
- -3.6718 -1.7158 1.2941 C 0 0 0
- -6.0839 -0.8120 0.2722 N 0 0 0
- -5.0317 1.0110 -0.7343 N 0 0 0
- -7.2814 -0.4095 -0.2042 C 0 0 0
- -6.1883 1.4490 -1.2265 C 0 0 0
- -7.3406 0.7596 -0.9834 C 0 0 0
- -8.2929 -1.0478 0.0370 O 0 0 0
- 2.1176 -0.0051 0.0000 H 0 0 0
- 2.3803 -0.9229 0.0000 H 0 0 0
- 5.5186 1.2311 0.0000 H 0 0 0
- 0.1483 2.0480 0.0000 H 0 0 0
- -1.1146 2.2431 0.0000 H 0 0 0
- -0.2204 -0.7938 0.0000 H 0 0 0
- 0.5969 -0.2991 0.0000 H 0 0 0
- 2.9941 4.5659 0.0000 H 0 0 0
- 6.5524 3.1603 0.0000 H 0 0 0
- 5.3053 -0.8902 0.0000 H 0 0 0
- 1.5098 -2.1504 0.0000 H 0 0 0
- -1.9312 1.6980 0.0000 H 0 0 0
- -2.7693 1.1640 0.0000 H 0 0 0
- -2.2420 -1.2603 0.0000 H 0 0 0
- -0.9752 -1.3801 0.0000 H 0 0 0
- 5.2142 4.8371 0.0000 H 0 0 0
- 5.9360 -2.9617 0.0000 H 0 0 0
- 2.1378 -4.2231 0.0000 H 0 0 0
- -3.0888 1.0511 0.0000 H 0 0 0
- -4.6199 -1.7821 0.0000 H 0 0 0
- -3.6055 -2.6639 0.0000 H 0 0 0
- -2.7237 -1.6495 0.0000 H 0 0 0
- -5.9645 -1.7549 0.0000 H 0 0 0
- -6.2724 2.3957 0.0000 H 0 0 0
- -8.1790 1.2073 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 9 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 15 20 1 0
- 16 21 1 0
- 19 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 23 26 1 0
- 25 27 1 0
- 25 28 2 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 29 32 2 0
- 6 7 1 0
- 13 18 1 0
- 17 21 1 0
- 20 22 2 0
- 30 31 2 0
- 4 33 1 0
- 4 34 1 0
- 8 35 1 0
- 10 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 12 40 1 0
- 13 41 1 0
- 14 42 1 0
- 15 43 1 0
- 16 44 1 0
- 16 45 1 0
- 17 46 1 0
- 17 47 1 0
- 18 48 1 0
- 19 49 1 0
- 20 50 1 0
- 21 51 1 0
- 26 52 1 0
- 26 53 1 0
- 26 54 1 0
- 27 55 1 0
- 30 56 1 0
- 31 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67604-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.9696 0.5685 0.1103 C 0 0 0
- -1.3275 -0.6811 0.1062 C 0 0 0
- -1.1626 1.7932 0.2071 C 0 0 0
- -3.3681 0.6541 0.0137 C 0 0 0
- 0.0078 -0.8161 0.2425 O 0 0 0
- -2.0999 -1.8270 -0.0321 C 0 0 0
- 0.3203 1.5738 0.4670 C 0 0 0
- -1.6449 2.9006 0.0877 O 0 0 0
- -4.1158 -0.5020 -0.1167 C 0 0 0
- -3.9816 1.8630 0.0485 O 0 0 0
- 0.6985 0.2979 -0.3014 C 0 0 0
- -3.4795 -1.7371 -0.1441 C 0 0 0
- 2.1841 0.0689 -0.1945 C 0 0 0
- -4.2161 -2.8680 -0.2820 O 0 0 0
- 3.0368 0.6215 -1.1319 C 0 0 0
- 2.6927 -0.6890 0.8444 C 0 0 0
- 4.3993 0.4134 -1.0358 C 0 0 0
- 4.0540 -0.9000 0.9449 C 0 0 0
- 4.9115 -0.3508 0.0023 C 0 0 0
- 6.2512 -0.5572 0.0988 O 0 0 0
- -1.6484 -2.7468 0.0000 H 0 0 0
- 1.3345 1.7200 0.0000 H 0 0 0
- 0.3222 2.5985 0.0000 H 0 0 0
- -5.1392 -0.4516 0.0000 H 0 0 0
- -4.4453 2.7767 0.0000 H 0 0 0
- -0.3171 0.4342 0.0000 H 0 0 0
- -4.7753 -3.7266 0.0000 H 0 0 0
- 2.8215 1.6233 0.0000 H 0 0 0
- 2.1425 -1.5535 0.0000 H 0 0 0
- 4.9487 1.2783 0.0000 H 0 0 0
- 4.2655 -1.9026 0.0000 H 0 0 0
- 7.2639 -0.7132 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 7 11 1 0
- 9 12 1 0
- 18 19 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73870-33-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.6541 -0.3234 -0.0540 N 0 0 0
- 0.2320 -1.4702 0.0520 C 0 0 0
- -0.0223 0.9710 -0.3905 C 0 0 0
- -1.9264 -0.4298 0.1304 N 0 0 0
- 1.7278 -1.1479 -0.1863 C 0 0 0
- 1.7194 0.6704 0.1463 S 0 0 0
- -2.6400 0.5526 0.0338 O 0 0 0
- -0.7170 -2.0002 0.0000 H 0 0 0
- 0.6157 -2.4872 0.0000 H 0 0 0
- 0.2627 2.0199 0.0000 H 0 0 0
- -1.0397 1.3536 0.0000 H 0 0 0
- 1.8827 -2.2237 0.0000 H 0 0 0
- 2.8118 -1.0677 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 6 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-147293-13-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3473 -0.4006 0.0018 C 0 0 0
- -1.1133 -0.3869 0.0011 C 0 0 0
- 1.0314 0.8175 0.0009 C 0 0 0
- 1.2742 -1.3868 -0.0022 N 0 0 0
- -1.7770 0.8638 -0.0005 C 0 0 0
- -1.8188 -1.5169 0.0014 N 0 0 0
- 2.3787 0.5006 0.0014 N 0 0 0
- 0.3285 2.0254 0.0002 C 0 0 0
- 2.4748 -0.8600 0.0003 C 0 0 0
- -1.0282 2.0553 -0.0018 C 0 0 0
- -3.1832 0.8855 -0.0012 C 0 0 0
- -3.1314 -1.5021 0.0004 C 0 0 0
- 3.4943 1.4501 0.0007 C 0 0 0
- 3.6561 -1.5736 -0.0018 N 0 0 0
- -3.8477 -0.3091 -0.0003 C 0 0 0
- 0.8559 2.9195 0.0000 H 0 0 0
- -1.5202 2.9693 0.0000 H 0 0 0
- -3.7025 1.7843 0.0000 H 0 0 0
- -3.6478 -2.4026 0.0000 H 0 0 0
- 4.1671 0.6596 0.0000 H 0 0 0
- 4.2848 2.1229 0.0000 H 0 0 0
- 2.8215 2.2406 0.0000 H 0 0 0
- 3.6355 -2.6114 0.0000 H 0 0 0
- 4.5652 -1.0725 0.0000 H 0 0 0
- -4.8856 -0.3263 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-579-07-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.9784 0.6661 -0.0714 C 0 0 0
- -2.0568 -0.3585 -0.0034 C 0 0 0
- -1.2636 1.8414 -0.1736 O 0 0 0
- 0.4357 0.2533 -0.0085 C 0 0 0
- -3.0702 -0.3130 1.1110 C 0 0 0
- -2.1192 -1.2261 -0.8415 O 0 0 0
- 1.4517 1.2129 -0.0721 C 0 0 0
- 0.7683 -1.0997 0.1209 C 0 0 0
- 2.7715 0.8189 -0.0126 C 0 0 0
- 2.0925 -1.4775 0.1790 C 0 0 0
- 3.0925 -0.5222 0.1096 C 0 0 0
- -3.0238 0.7202 0.0000 H 0 0 0
- -4.1034 -0.2666 0.0000 H 0 0 0
- -3.1166 -1.3462 0.0000 H 0 0 0
- 1.2125 2.2191 0.0000 H 0 0 0
- 0.0236 -1.8174 0.0000 H 0 0 0
- 3.5227 1.5298 0.0000 H 0 0 0
- 2.3407 -2.4815 0.0000 H 0 0 0
- 4.0845 -0.8146 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 2 2 0
- 7 4 2 0
- 8 4 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 10 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- 1.5526 0.6469 -0.1888 C 0 0 0
- 0.3328 1.2446 -0.5576 C 0 0 0
- 2.5309 1.4322 0.4710 C 0 0 0
- 1.8172 -0.7032 -0.4666 C 0 0 0
- -0.7377 0.4500 -1.2603 C 0 0 1
- 0.1460 2.5648 -0.2605 C 0 0 0
- 3.7511 0.8384 0.8410 C 0 0 0
- 2.2845 2.7197 0.7317 N 0 0 0
- 3.0134 -1.2467 -0.0929 C 0 0 0
- -2.1091 0.8386 -0.7042 C 0 0 2
- -0.6954 0.7286 -2.6612 O 0 0 0
- 1.1493 3.2794 0.3900 C 0 0 0
- 3.9763 -0.4735 0.5633 C 0 0 0
- 3.2705 -2.5538 -0.3615 O 0 0 0
- -2.0438 0.8658 0.7512 N 0 0 0
- -3.1509 -0.1669 -1.1934 C 0 0 0
- 4.5796 -2.8290 0.1411 C 0 0 0
- -1.6716 -0.4503 1.2518 C 0 0 0
- -3.3375 1.2564 1.2944 C 0 0 0
- -3.8045 -0.8347 0.0247 C 0 0 1
- -2.6969 -1.5090 0.8466 C 0 0 1
- -4.4309 0.2677 0.8904 C 0 0 0
- -2.0234 -2.5661 0.0099 C 0 0 0
- -2.0170 -3.8132 0.4110 C 0 0 0
- 1.0340 -1.3223 0.0000 H 0 0 0
- -0.5578 -0.5320 0.0000 H 0 0 0
- -0.7713 2.9588 0.0000 H 0 0 0
- 4.5495 1.4377 0.0000 H 0 0 0
- -2.6572 1.6730 0.0000 H 0 0 0
- -0.5455 1.7156 0.0000 H 0 0 0
- 1.0691 4.2745 0.0000 H 0 0 0
- 4.9099 -0.8272 0.0000 H 0 0 0
- -3.4013 0.7995 0.0000 H 0 0 0
- -4.1155 0.0903 0.0000 H 0 0 0
- 4.3742 -3.8060 0.0000 H 0 0 0
- 5.5566 -3.0344 0.0000 H 0 0 0
- 4.7850 -1.8520 0.0000 H 0 0 0
- -1.0866 -1.2592 0.0000 H 0 0 0
- -0.7731 -0.0153 0.0000 H 0 0 0
- -2.8818 2.1446 0.0000 H 0 0 0
- -4.1293 1.8644 0.0000 H 0 0 0
- -4.5210 -1.5299 0.0000 H 0 0 0
- -3.3956 -2.2221 0.0000 H 0 0 0
- -5.0448 1.0549 0.0000 H 0 0 0
- -5.2607 -0.2873 0.0000 H 0 0 0
- -1.0657 -2.2843 0.0000 H 0 0 0
- -2.8790 -4.3168 0.0000 H 0 0 0
- -1.1499 -4.3079 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 19 22 1 0
- 21 23 1 0
- 23 24 2 0
- 8 12 1 0
- 9 13 1 0
- 20 21 1 0
- 20 22 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5589-96-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 1.3157 0.9288 -0.0698 C 0 0 0
- 0.4548 -0.2094 -0.5538 C 0 0 0
- 2.6357 0.9224 -0.3132 O 0 0 0
- 0.8170 1.8495 0.5332 O 0 0 0
- 1.0265 -1.7517 0.1848 Cl 0 0 0
- -1.4130 0.1140 -0.0323 Br 0 0 0
- 1.5137 -0.3654 0.0000 H 0 0 0
- 3.7060 0.9172 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119584-53-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 2.5713 0.5661 0.3810 C 0 0 0
- 1.8062 -0.5792 0.5239 N 0 0 0
- 3.8673 0.3764 -0.1208 C 0 0 0
- 2.2006 1.8892 0.6734 C 0 0 0
- 2.3056 -1.7858 0.1917 C 0 0 0
- 0.4393 -0.4778 1.0412 C 0 0 0
- 3.9525 -1.3809 -0.3668 S 0 0 0
- 4.7447 1.4145 -0.3187 C 0 0 0
- 3.0787 2.9279 0.4762 C 0 0 0
- 1.7694 -2.8766 0.2561 O 0 0 0
- -0.5185 -0.2815 -0.1056 C 0 0 0
- 4.3536 2.7075 -0.0168 C 0 0 0
- -1.8342 -0.1623 0.1318 O 0 0 0
- -0.1020 -0.2313 -1.2387 O 0 0 0
- -2.7571 0.0269 -0.9732 C 0 0 0
- -4.1631 0.1311 -0.4410 C 0 0 0
- -4.9055 1.2744 -0.6695 C 0 0 0
- -4.7125 -0.9191 0.2708 C 0 0 0
- -6.1954 1.3700 -0.1812 C 0 0 0
- -6.0021 -0.8235 0.7588 C 0 0 0
- -6.7426 0.3224 0.5352 C 0 0 0
- 1.2325 2.0999 0.0000 H 0 0 0
- -0.1861 -1.2463 0.0000 H 0 0 0
- 0.8314 -1.3877 0.0000 H 0 0 0
- 5.7150 1.2138 0.0000 H 0 0 0
- 2.7400 3.8590 0.0000 H 0 0 0
- 5.0100 3.4497 0.0000 H 0 0 0
- -2.1317 0.7954 0.0000 H 0 0 0
- -3.1492 0.9368 0.0000 H 0 0 0
- -4.4008 2.1271 0.0000 H 0 0 0
- -4.2311 -1.7851 0.0000 H 0 0 0
- -6.6771 2.2358 0.0000 H 0 0 0
- -6.5077 -1.6756 0.0000 H 0 0 0
- -7.7324 0.2767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 11 13 1 0
- 11 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 2 0
- 16 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 5 7 1 0
- 9 12 1 0
- 20 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 12 27 1 0
- 15 28 1 0
- 15 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-47-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.0000 -1.0524 0.0000 C 0 0 0
- -1.2007 -0.1330 0.0002 C 0 0 0
- 1.2007 -0.1329 -0.0002 C 0 0 0
- 0.0002 -2.0820 1.4802 Cl 0 0 0
- -0.0002 -2.0820 -1.4802 Cl 0 0 0
- -0.7327 1.1121 0.0001 C 0 0 0
- -2.8697 -0.6109 -0.0001 Cl 0 0 0
- 0.7327 1.1121 -0.0001 C 0 0 0
- 2.8697 -0.6108 0.0001 Cl 0 0 0
- -1.7210 2.5393 0.0003 Cl 0 0 0
- 1.7210 2.5394 -0.0003 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 8 11 1 0
- 6 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70-11-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.2054 0.3582 0.0043 C 0 0 0
- 0.7586 -0.8002 0.0069 C 0 0 0
- 0.2140 1.4959 -0.0018 O 0 0 0
- -1.6557 0.1085 0.0030 C 0 0 0
- 2.6025 -0.1182 -0.0009 Br 0 0 0
- -2.5534 1.1807 0.0006 C 0 0 0
- -2.1433 -1.2025 -0.0016 C 0 0 0
- -3.9110 0.9385 -0.0010 C 0 0 0
- -3.5034 -1.4281 -0.0032 C 0 0 0
- -4.3856 -0.3614 -0.0003 C 0 0 0
- -0.1138 -1.3727 0.0000 H 0 0 0
- 1.2289 -1.7317 0.0000 H 0 0 0
- -2.1970 2.1614 0.0000 H 0 0 0
- -1.4794 -2.0076 0.0000 H 0 0 0
- -4.5821 1.7375 0.0000 H 0 0 0
- -3.8688 -2.4055 0.0000 H 0 0 0
- -5.4140 -0.5384 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 9 10 1 0
- 2 11 1 0
- 2 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7467-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -1.1529 -0.4065 0.0012 C 0 0 0
- -2.0679 -1.4753 -0.0005 C 0 0 0
- 0.1857 -0.6527 -0.0005 N 0 0 0
- -1.6252 0.9111 -0.0013 C 0 0 0
- -3.4282 -1.2118 0.0013 C 0 0 0
- -1.6096 -2.7886 -0.0043 N 0 0 0
- 1.0222 0.3293 0.0011 N 0 0 0
- -2.9681 1.1572 -0.0054 C 0 0 0
- -3.8787 0.1020 0.0046 C 0 0 0
- 2.3671 0.0819 -0.0006 C 0 0 0
- -3.4689 2.5786 -0.0076 C 0 0 0
- -5.2457 0.3660 0.0063 N 0 0 0
- 3.2759 1.1430 0.0011 C 0 0 0
- 2.8390 -1.2335 0.0019 C 0 0 0
- 4.6311 0.8858 -0.0001 C 0 0 0
- 2.7770 2.5650 0.0046 C 0 0 0
- 4.1966 -1.4753 0.0007 C 0 0 0
- 5.0911 -0.4191 -0.0029 C 0 0 0
- -0.9510 1.7052 0.0000 H 0 0 0
- -4.1118 -1.9977 0.0000 H 0 0 0
- -2.2897 -3.5776 0.0000 H 0 0 0
- -0.5863 -2.9831 0.0000 H 0 0 0
- -2.4864 2.9248 0.0000 H 0 0 0
- -3.8151 3.5611 0.0000 H 0 0 0
- -4.4514 2.2324 0.0000 H 0 0 0
- -5.5860 1.3505 0.0000 H 0 0 0
- -5.9281 -0.4210 0.0000 H 0 0 0
- 2.1669 -2.0293 0.0000 H 0 0 0
- 5.3099 1.6760 0.0000 H 0 0 0
- 3.7599 2.9099 0.0000 H 0 0 0
- 2.4321 3.5479 0.0000 H 0 0 0
- 1.7941 2.2201 0.0000 H 0 0 0
- 4.5498 -2.4553 0.0000 H 0 0 0
- 6.1156 -0.6075 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 2 0
- 10 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 2 0
- 15 18 2 0
- 8 9 1 0
- 17 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6344-66-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 1.0205 -0.3858 -0.0012 C 0 0 0
- -0.4469 -0.1640 -0.0004 C 0 0 0
- 1.6751 0.8426 -0.0009 C 0 0 0
- 1.7718 -1.5626 0.0030 C 0 0 0
- -0.7091 1.2040 0.0004 C 0 0 0
- -1.5104 -1.0663 -0.0008 C 0 0 0
- 0.6193 1.9206 0.0002 C 0 0 0
- 3.0531 0.8956 -0.0011 C 0 0 0
- 3.1496 -1.5000 0.0016 C 0 0 0
- -2.0090 1.6652 0.0013 C 0 0 0
- -2.8149 -0.5967 -0.0004 C 0 0 0
- 3.7914 -0.2744 -0.0016 C 0 0 0
- -3.0630 0.7706 0.0013 C 0 0 0
- -3.8812 -1.4992 -0.0013 N 0 0 0
- 1.2914 -2.4885 0.0000 H 0 0 0
- -1.3247 -2.0927 0.0000 H 0 0 0
- 1.4293 2.5778 0.0000 H 0 0 0
- 0.0406 2.7884 0.0000 H 0 0 0
- 3.5391 1.8185 0.0000 H 0 0 0
- 3.7098 -2.3799 0.0000 H 0 0 0
- -2.1972 2.6912 0.0000 H 0 0 0
- 4.8336 -0.2324 0.0000 H 0 0 0
- -4.0451 1.1221 0.0000 H 0 0 0
- -4.8629 -1.1466 0.0000 H 0 0 0
- -3.6957 -2.5257 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7230-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.5736 0.0560 -0.0023 C 0 0 0
- -1.9647 -0.4237 -0.0014 C 0 0 0
- -0.3362 1.4553 0.0002 C 0 0 0
- 0.4245 -0.8139 0.0001 N 0 0 0
- -3.0209 0.5110 0.0020 C 0 0 0
- -2.2510 -1.7907 -0.0042 C 0 0 0
- 0.9723 1.9410 -0.0006 C 0 0 0
- -1.4601 2.3886 0.0030 C 0 0 0
- 1.6946 -0.4186 -0.0005 C 0 0 0
- -2.7313 1.9418 0.0040 C 0 0 0
- -4.3449 0.0519 0.0029 C 0 0 0
- -3.5615 -2.2113 -0.0037 C 0 0 0
- 2.0171 1.0110 -0.0033 C 0 0 0
- 2.7547 -1.3459 0.0029 C 0 0 0
- -4.6001 -1.2888 0.0006 C 0 0 0
- 3.3666 1.4090 -0.0037 C 0 0 0
- 4.0381 -0.8983 0.0028 C 0 0 0
- 4.3422 0.4617 -0.0058 C 0 0 0
- 5.1635 -1.9006 0.0069 C 0 0 0
- -1.4722 -2.4924 0.0000 H 0 0 0
- 1.1661 2.9712 0.0000 H 0 0 0
- -1.2750 3.4204 0.0000 H 0 0 0
- -3.5220 2.6301 0.0000 H 0 0 0
- -5.1381 0.7372 0.0000 H 0 0 0
- -3.7778 -3.2370 0.0000 H 0 0 0
- 2.5551 -2.3750 0.0000 H 0 0 0
- -5.5924 -1.6267 0.0000 H 0 0 0
- 3.6178 2.4267 0.0000 H 0 0 0
- 5.3467 0.7615 0.0000 H 0 0 0
- 4.4663 -2.6834 0.0000 H 0 0 0
- 5.9463 -2.5978 0.0000 H 0 0 0
- 5.8607 -1.1178 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 17 19 1 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 18 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55557-02-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.5740 0.3884 0.0650 C 0 0 0
- 0.3053 -0.7720 0.4406 C 0 0 0
- -0.1155 1.6028 -0.1547 C 0 0 0
- -2.0183 0.1535 -0.0697 C 0 0 0
- 1.7126 -0.3903 0.2551 N 0 0 0
- 1.3325 1.9865 -0.0782 C 0 0 0
- -2.5236 -1.0781 0.1422 O 0 0 0
- -2.7573 1.0698 -0.3721 O 0 0 0
- 2.1188 0.9460 0.7232 C 0 0 0
- 2.5585 -1.1939 -0.2953 N 0 0 0
- -3.9507 -1.3101 0.0091 C 0 0 0
- 3.7191 -0.8527 -0.4370 O 0 0 0
- -0.5822 -1.2808 0.0000 H 0 0 0
- 0.6968 -1.7171 0.0000 H 0 0 0
- -0.8010 2.3621 0.0000 H 0 0 0
- 2.2214 2.4928 0.0000 H 0 0 0
- 0.9451 2.9333 0.0000 H 0 0 0
- 3.0143 0.4514 0.0000 H 0 0 0
- 2.7888 1.7190 0.0000 H 0 0 0
- -4.1148 -0.3004 0.0000 H 0 0 0
- -4.9604 -1.4742 0.0000 H 0 0 0
- -3.7866 -2.3198 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 2 0
- 6 9 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 6 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-554-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.4799 0.1583 0.0033 C 0 0 0
- 0.5070 -0.8080 0.0031 C 0 0 0
- -0.1374 1.4981 0.0009 C 0 0 0
- -1.9052 -0.2404 0.0000 N 0 3 0
- 1.8430 -0.4335 0.0004 C 0 0 0
- 1.1930 1.8739 -0.0018 C 0 0 0
- -2.7759 0.6113 0.0002 O 0 0 0
- -2.2074 -1.4203 -0.0029 O 0 5 0
- 2.1840 0.9111 -0.0021 C 0 0 0
- 2.8159 -1.3824 -0.0003 O 0 0 0
- 0.2498 -1.8121 0.0000 H 0 0 0
- -0.8795 2.2218 0.0000 H 0 0 0
- 1.4473 2.8788 0.0000 H 0 0 0
- 3.1814 1.1933 0.0000 H 0 0 0
- 3.5580 -2.1061 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-301-12-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 2.3816 -0.2014 0.0493 P 0 0 0
- 0.7571 0.6919 -0.9789 S 0 0 0
- 3.7112 -0.0948 -0.8523 O 0 0 0
- 2.6179 0.5629 1.4465 O 0 0 0
- 2.0763 -1.6256 0.3116 O 0 0 0
- -0.6287 0.0335 -0.0110 C 0 0 0
- 4.6837 -0.9566 -0.2576 C 0 0 0
- 2.7027 1.9572 1.1454 C 0 0 0
- -1.9464 0.5580 -0.5850 C 0 0 0
- -3.3321 -0.1004 0.3829 S 0 0 0
- -4.7222 0.6639 -0.4969 C 0 0 0
- -3.3909 -1.5116 0.2264 O 0 0 0
- -6.0370 0.2400 0.1607 C 0 0 0
- -1.2526 -0.8253 0.0000 H 0 0 0
- 0.0495 -0.7831 0.0000 H 0 0 0
- 3.9797 -1.7510 0.0000 H 0 0 0
- 5.4781 -1.6606 0.0000 H 0 0 0
- 5.3877 -0.1622 0.0000 H 0 0 0
- 3.7622 1.8928 0.0000 H 0 0 0
- 2.7671 3.0167 0.0000 H 0 0 0
- 1.6432 2.0216 0.0000 H 0 0 0
- -1.3225 1.4168 0.0000 H 0 0 0
- -2.6246 1.3746 0.0000 H 0 0 0
- -3.9949 1.4371 0.0000 H 0 0 0
- -5.2896 1.5610 0.0000 H 0 0 0
- -6.3627 1.2503 0.0000 H 0 0 0
- -7.0473 -0.0857 0.0000 H 0 0 0
- -5.7113 -0.7703 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.7411 -0.5406 -0.0287 C 0 0 0
- -0.5240 0.2736 0.2495 C 0 0 0
- 1.9678 0.3657 0.0926 C 0 0 0
- -1.7507 -0.6327 0.1283 C 0 0 0
- 3.2330 -0.4485 -0.1857 C 0 0 0
- -2.9968 0.1692 0.4023 C 0 0 0
- 4.4597 0.4579 -0.0644 C 0 0 0
- -3.8508 0.2667 -0.4459 O 0 0 0
- 0.0205 -1.4089 0.0000 H 0 0 0
- 1.5162 -1.3607 0.0000 H 0 0 0
- 0.1966 1.1419 0.0000 H 0 0 0
- -1.2991 1.0937 0.0000 H 0 0 0
- 2.6884 1.2340 0.0000 H 0 0 0
- 1.1927 1.1858 0.0000 H 0 0 0
- -2.4713 -1.5010 0.0000 H 0 0 0
- -0.9756 -1.4528 0.0000 H 0 0 0
- 2.5124 -1.3168 0.0000 H 0 0 0
- 4.0081 -1.2686 0.0000 H 0 0 0
- -2.6176 1.2320 0.0000 H 0 0 0
- 5.1303 -0.4496 0.0000 H 0 0 0
- 5.3672 1.1285 0.0000 H 0 0 0
- 3.7891 1.3654 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 2 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-93673-34-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 38 1 V2000
- 2.0109 0.1169 0.1259 C 0 0 0
- 1.8760 -1.3214 0.2055 C 0 0 0
- 3.3279 0.5505 0.1467 C 0 0 0
- 0.9256 0.9962 0.0419 C 0 0 0
- 3.2765 -1.8854 0.2869 C 0 0 0
- 0.6475 -1.8799 0.1961 C 0 0 0
- 4.2162 -0.6639 0.2504 C 0 0 0
- 3.5626 1.8955 0.0745 C 0 0 0
- -0.4245 0.4192 0.0381 C 0 0 0
- 1.1875 2.3646 -0.0322 C 0 0 0
- 4.0042 -1.5071 -0.8834 O 0 0 0
- -0.5499 -1.0408 0.1081 C 0 0 0
- 2.5007 2.7900 -0.0166 C 0 0 0
- -1.5499 1.2202 -0.0396 C 0 0 0
- -1.8116 -1.6278 0.1009 C 0 0 0
- -2.8188 0.6333 -0.0399 C 0 0 0
- -2.9505 -0.8247 0.0187 C 0 0 0
- -3.9865 1.4181 -0.1162 C 0 0 0
- -4.2428 -1.3889 0.0108 C 0 0 0
- -5.2028 0.8119 -0.1140 C 0 0 0
- -5.3285 -0.5760 -0.0690 C 0 0 0
- 3.3269 -2.9294 0.0000 H 0 0 0
- 0.5512 -2.9206 0.0000 H 0 0 0
- 5.2421 -0.4638 0.0000 H 0 0 0
- 4.5448 2.2529 0.0000 H 0 0 0
- 0.4040 3.0564 0.0000 H 0 0 0
- 2.7016 3.8157 0.0000 H 0 0 0
- -1.4532 2.2609 0.0000 H 0 0 0
- -1.9049 -2.6688 0.0000 H 0 0 0
- -3.9189 2.4611 0.0000 H 0 0 0
- -4.3633 -2.4271 0.0000 H 0 0 0
- -6.0658 1.4015 0.0000 H 0 0 0
- -6.2833 -1.0011 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 12 15 1 0
- 14 16 2 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 5 7 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 2 0
- 16 17 1 0
- 20 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-393-52-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.1797 0.1278 -0.0026 C 0 0 0
- -1.2624 -0.7605 -0.0013 C 0 0 0
- -0.4166 1.5065 -0.0014 C 0 0 0
- 1.1990 -0.3860 0.0009 C 0 0 0
- -2.5545 -0.2678 0.0012 C 0 0 0
- -1.0453 -2.0940 -0.0028 F 0 0 0
- -1.7105 1.9802 0.0011 C 0 0 0
- 1.4005 -1.5824 0.0049 O 0 0 0
- 2.5374 0.7196 -0.0008 Cl 0 0 0
- -2.7770 1.0964 0.0024 C 0 0 0
- 0.3806 2.1712 0.0000 H 0 0 0
- -3.3589 -0.9238 0.0000 H 0 0 0
- -1.8866 3.0031 0.0000 H 0 0 0
- -3.7490 1.4607 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132-64-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- 0.7377 -0.5167 -0.0014 C 0 0 0
- -0.7377 -0.5165 -0.0008 C 0 0 0
- 1.1173 0.8331 -0.0008 C 0 0 0
- 1.7042 -1.5162 0.0026 C 0 0 0
- -1.1170 0.8329 0.0001 C 0 0 0
- -1.7046 -1.5163 -0.0014 C 0 0 0
- 0.0001 1.5930 0.0001 O 0 0 0
- 2.4685 1.1568 -0.0005 C 0 0 0
- 3.0410 -1.1755 0.0011 C 0 0 0
- -2.4687 1.1568 0.0013 C 0 0 0
- -3.0409 -1.1756 -0.0011 C 0 0 0
- 3.4191 0.1573 -0.0008 C 0 0 0
- -3.4190 0.1577 0.0015 C 0 0 0
- 1.4206 -2.5162 0.0000 H 0 0 0
- -1.4211 -2.5163 0.0000 H 0 0 0
- 2.7634 2.1535 0.0000 H 0 0 0
- 3.7660 -1.9203 0.0000 H 0 0 0
- -2.7635 2.1535 0.0000 H 0 0 0
- -3.7660 -1.9203 0.0000 H 0 0 0
- 4.4282 0.4063 0.0000 H 0 0 0
- -4.4281 0.4068 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-36355-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.7417 0.0026 0.0001 C 0 0 0
- -0.7417 0.0028 0.0006 C 0 0 0
- 1.4418 0.8552 0.8524 C 0 0 0
- 1.4411 -0.8547 -0.8489 C 0 0 0
- -1.4417 0.8557 -0.8522 C 0 0 0
- -1.4412 -0.8538 0.8495 C 0 0 0
- 2.8229 0.8508 0.8477 C 0 0 0
- 0.5021 2.0160 2.0123 Br 0 0 0
- 2.8218 -0.8507 -0.8452 C 0 0 0
- 0.5003 -2.0200 -2.0033 Br 0 0 0
- -2.8224 0.8514 -0.8479 C 0 0 0
- -0.5017 2.0165 -2.0119 Br 0 0 0
- -2.8223 -0.8497 0.8454 C 0 0 0
- -0.5007 -2.0195 2.0038 Br 0 0 0
- 3.5118 0.0022 -0.0010 C 0 0 0
- -3.5118 0.0026 0.0008 C 0 0 0
- 5.4028 0.0024 -0.0021 Br 0 0 0
- -5.4028 0.0024 0.0010 Br 0 0 0
- 3.2696 1.7850 0.0000 H 0 0 0
- 3.2692 -1.7846 0.0000 H 0 0 0
- -3.2690 1.7857 0.0000 H 0 0 0
- -3.2697 -1.7836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 11 16 1 0
- 15 17 1 0
- 16 18 1 0
- 9 15 1 0
- 13 16 2 0
- 7 19 1 0
- 9 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-130005-62-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 0.5192 -0.2049 0.0025 C 0 0 0
- -0.9501 -0.0779 0.0017 C 0 0 0
- 1.0326 1.1000 0.0004 C 0 0 0
- 1.3852 -1.2963 -0.0002 C 0 0 0
- -1.2320 1.2957 -0.0009 C 0 0 0
- -1.9908 -1.0043 0.0025 C 0 0 0
- 2.4108 1.2931 0.0011 C 0 0 0
- -0.0318 1.9877 -0.0017 N 0 0 0
- 2.7533 -1.0870 0.0011 C 0 0 0
- 0.8345 -2.6991 -0.0050 C 0 0 0
- -2.5568 1.7217 -0.0023 C 0 0 0
- -3.3011 -0.5639 0.0007 C 0 0 0
- 3.2611 0.2094 0.0038 C 0 0 0
- 2.9742 2.6909 -0.0017 C 0 0 0
- 3.6276 -2.1802 -0.0016 N 0 0 0
- -3.5797 0.7987 -0.0011 C 0 0 0
- -4.3198 -1.4648 0.0010 O 0 0 0
- -1.7818 -2.0269 0.0000 H 0 0 0
- 0.0579 3.0276 0.0000 H 0 0 0
- -0.1371 -2.3177 0.0000 H 0 0 0
- 0.4531 -3.6707 0.0000 H 0 0 0
- 1.8061 -3.0805 0.0000 H 0 0 0
- -2.7759 2.7422 0.0000 H 0 0 0
- 4.2937 0.3612 0.0000 H 0 0 0
- 3.9423 2.3007 0.0000 H 0 0 0
- 3.3644 3.6590 0.0000 H 0 0 0
- 2.0061 3.0811 0.0000 H 0 0 0
- 3.2476 -3.1523 0.0000 H 0 0 0
- 4.6595 -2.0232 0.0000 H 0 0 0
- -4.5713 1.1246 0.0000 H 0 0 0
- -5.1017 -2.1562 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 7 14 1 0
- 9 15 1 0
- 11 16 2 0
- 12 17 1 0
- 5 8 1 0
- 9 13 1 0
- 12 16 1 0
- 6 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3697-30-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.5590 0.3504 -0.0258 C 0 0 0
- -0.0037 -0.9943 -0.1615 C 0 0 0
- 2.0208 0.5011 0.0166 C 0 0 0
- -0.2725 1.4548 0.0547 C 0 0 0
- -1.3815 -1.1733 -0.2054 C 0 0 0
- 0.8997 -2.1404 -0.2501 C 0 0 0
- 2.8352 -0.6470 -0.0740 C 0 0 0
- 2.6090 1.7605 0.1444 C 0 0 0
- -1.6591 1.2814 0.0058 C 0 0 0
- -2.2256 -0.0634 -0.1194 C 0 0 0
- -1.9616 -2.5571 -0.3455 C 0 0 0
- 2.2347 -1.9704 -0.2083 C 0 0 0
- 4.2290 -0.5012 -0.0333 C 0 0 0
- 3.9807 1.8711 0.1809 C 0 0 0
- -2.5351 2.3823 0.0849 C 0 0 0
- -3.6275 -0.2073 -0.1602 C 0 0 0
- -2.1891 -3.1577 1.0432 C 0 0 0
- 4.7818 0.7399 0.0925 C 0 0 0
- -3.8773 2.1758 0.0340 C 0 0 0
- -4.4171 0.8950 -0.0734 C 0 0 0
- 0.1353 2.4178 0.0000 H 0 0 0
- 0.5037 -3.1084 0.0000 H 0 0 0
- 2.0123 2.6194 0.0000 H 0 0 0
- -2.6043 -1.7321 0.0000 H 0 0 0
- -2.9957 -2.7133 0.0000 H 0 0 0
- 2.8557 -2.8119 0.0000 H 0 0 0
- 4.8434 -1.3475 0.0000 H 0 0 0
- 4.4234 2.8186 0.0000 H 0 0 0
- -2.1540 3.3562 0.0000 H 0 0 0
- -4.0572 -1.1607 0.0000 H 0 0 0
- -3.1671 -2.7872 0.0000 H 0 0 0
- -2.5596 -4.1357 0.0000 H 0 0 0
- -1.2111 -3.5282 0.0000 H 0 0 0
- 5.8225 0.8428 0.0000 H 0 0 0
- -4.5204 3.0005 0.0000 H 0 0 0
- -5.4564 0.7788 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 1 0
- 9 10 2 0
- 14 18 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14918-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -1.1578 0.7047 -0.0024 C 0 0 0
- -1.1579 -0.7047 -0.0018 C 0 0 0
- 0.1261 1.4278 -0.0019 C 0 0 0
- -2.3694 1.3967 0.0023 C 0 0 0
- 0.1261 -1.4278 -0.0006 C 0 0 0
- -2.3694 -1.3967 -0.0018 C 0 0 0
- 1.3913 0.6720 -0.0007 C 0 0 0
- 0.1417 2.6437 -0.0029 O 0 0 0
- -3.5737 0.6873 0.0076 C 0 0 0
- -2.3785 2.7520 0.0013 O 0 0 0
- 1.3913 -0.6720 -0.0001 C 0 0 0
- 0.1417 -2.6437 0.0003 O 0 0 0
- -3.5737 -0.6873 -0.0024 C 0 0 0
- -2.3786 -2.7520 -0.0016 O 0 0 0
- 2.9012 1.5287 0.0000 Cl 0 0 0
- 2.9012 -1.5287 0.0019 Cl 0 0 0
- -4.4838 1.2075 0.0000 H 0 0 0
- -2.3855 3.8003 0.0000 H 0 0 0
- -4.4838 -1.2075 0.0000 H 0 0 0
- -2.3857 -3.8003 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 7 11 2 0
- 9 13 1 0
- 9 17 1 0
- 10 18 1 0
- 13 19 1 0
- 14 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-620-02-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.5904 -0.1540 -0.0019 C 0 0 0
- -0.5492 -0.8782 -0.0011 O 0 0 0
- 0.2407 1.1817 -0.0008 C 0 0 0
- 1.9057 -0.6707 0.0016 C 0 0 0
- -1.6019 -0.0517 0.0004 C 0 0 0
- -1.1598 1.2269 0.0007 C 0 0 0
- 2.8554 0.0862 0.0004 O 0 0 0
- -3.0476 -0.4771 0.0010 C 0 0 0
- 0.8801 1.9830 0.0000 H 0 0 0
- 2.0582 -1.6844 0.0000 H 0 0 0
- -1.7410 2.0713 0.0000 H 0 0 0
- -3.3370 0.5063 0.0000 H 0 0 0
- -4.0310 -0.7665 0.0000 H 0 0 0
- -2.7582 -1.4605 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 6 2 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-286-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.1737 0.7994 -0.4444 C 0 0 0
- 1.2571 -0.7469 -0.5398 C 0 0 0
- 2.2775 0.0459 0.0662 O 0 0 0
- 0.2351 1.1466 0.7216 C 0 0 0
- 0.3246 -1.3145 0.5178 C 0 0 0
- -1.0898 1.6759 0.1749 C 0 0 0
- -1.0338 -1.6413 -0.0291 C 0 0 0
- -1.7981 0.6265 -0.6782 C 0 0 0
- -2.1030 -0.6069 0.1889 C 0 0 0
- 1.6260 1.6753 0.0000 H 0 0 0
- 1.8167 -1.5584 0.0000 H 0 0 0
- -0.5340 0.5301 0.0000 H 0 0 0
- 0.3928 0.1736 0.0000 H 0 0 0
- 0.1443 -2.2836 0.0000 H 0 0 0
- 1.1359 -1.8743 0.0000 H 0 0 0
- -0.6599 2.5630 0.0000 H 0 0 0
- -1.9440 2.1678 0.0000 H 0 0 0
- -1.8399 -2.2087 0.0000 H 0 0 0
- -0.6276 -2.5395 0.0000 H 0 0 0
- -2.3305 1.4561 0.0000 H 0 0 0
- -2.7706 0.4654 0.0000 H 0 0 0
- -3.0039 -0.2069 0.0000 H 0 0 0
- -2.6542 -1.4242 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 2 3 1 0
- 8 9 1 0
- 1 10 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-91-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.7409 -1.1783 0.2627 C 0 0 0
- -0.6878 -1.1487 -0.2817 C 0 0 0
- 1.4743 -0.0001 -0.2185 N 0 0 0
- -1.3708 0.0001 0.2196 O 0 0 0
- 0.7411 1.1782 0.2628 C 0 0 0
- -0.6877 1.1488 -0.2816 C 0 0 0
- 0.5347 -2.1985 0.0000 H 0 0 0
- 1.7082 -1.5625 0.0000 H 0 0 0
- -1.6653 -1.5063 0.0000 H 0 0 0
- -0.5169 -2.1754 0.0000 H 0 0 0
- 2.5152 -0.0002 0.0000 H 0 0 0
- 1.7085 1.5623 0.0000 H 0 0 0
- 0.5351 2.1985 0.0000 H 0 0 0
- -0.5166 2.1755 0.0000 H 0 0 0
- -1.6652 1.5065 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53499-68-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -3.4433 -0.2107 -0.3443 C 0 0 0
- -4.8335 -0.1082 -0.4265 N 0 0 0
- -2.8463 -1.4607 -0.2191 C 0 0 0
- -2.6590 0.9373 -0.3937 C 0 0 0
- -5.5495 0.2343 0.6627 C 0 0 0
- -5.5136 -0.3731 -1.6968 C 0 0 0
- -1.4756 -1.5661 -0.1382 C 0 0 0
- -1.2880 0.8405 -0.3134 C 0 0 0
- -5.5615 -0.6668 1.8706 C 0 0 0
- -6.1842 1.2678 0.6708 O 0 0 0
- -0.6838 -0.4143 -0.1821 C 0 0 0
- 0.6756 -0.5145 -0.1021 N 0 0 0
- 1.4043 0.5491 -0.1428 N 0 0 0
- 2.7631 0.4489 -0.0629 C 0 0 0
- 3.5549 1.6011 -0.1068 C 0 0 0
- 3.3672 -0.8062 0.0689 C 0 0 0
- 4.9253 1.4959 -0.0260 C 0 0 0
- 4.7378 -0.9031 0.1491 C 0 0 0
- 5.5227 0.2454 0.0993 C 0 0 0
- 6.9095 0.1431 0.1803 N 0 0 0
- 7.5404 -1.1725 0.3122 C 0 0 0
- -3.4315 -2.3143 0.0000 H 0 0 0
- -3.1096 1.8690 0.0000 H 0 0 0
- -5.8892 0.5913 0.0000 H 0 0 0
- -6.4780 -0.7487 0.0000 H 0 0 0
- -5.1380 -1.3375 0.0000 H 0 0 0
- -1.0292 -2.4999 0.0000 H 0 0 0
- -0.7068 1.6969 0.0000 H 0 0 0
- -6.5964 -0.6530 0.0000 H 0 0 0
- -5.5753 -1.7017 0.0000 H 0 0 0
- -4.5266 -0.6806 0.0000 H 0 0 0
- 3.1084 2.5348 0.0000 H 0 0 0
- 2.7859 -1.6625 0.0000 H 0 0 0
- 5.5104 2.3496 0.0000 H 0 0 0
- 5.1883 -1.8349 0.0000 H 0 0 0
- 7.4927 0.9981 0.0000 H 0 0 0
- 6.6072 -1.6200 0.0000 H 0 0 0
- 7.9879 -2.1057 0.0000 H 0 0 0
- 8.4736 -0.7250 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 7 11 2 0
- 11 12 1 0
- 12 13 2 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 8 11 1 0
- 18 19 1 0
- 3 22 1 0
- 4 23 1 0
- 6 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 9 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.3465 0.8854 -0.0026 C 0 0 0
- 0.0022 -0.4882 -0.0015 C 0 0 0
- 0.6134 1.8153 -0.0014 N 0 0 0
- -1.7057 1.2454 0.0010 C 0 0 0
- 1.3631 -0.8465 0.0004 C 0 0 0
- -1.0104 -1.4612 -0.0017 C 0 0 0
- 1.8822 1.4850 0.0007 C 0 0 0
- -2.6608 0.2762 0.0054 C 0 0 0
- 2.2931 0.1541 0.0010 C 0 0 0
- 1.7828 -2.2939 0.0021 C 0 0 0
- -2.3155 -1.0739 -0.0031 C 0 0 0
- -1.9813 2.2533 0.0000 H 0 0 0
- -0.7636 -2.4765 0.0000 H 0 0 0
- 2.6043 2.2402 0.0000 H 0 0 0
- -3.6696 0.5487 0.0000 H 0 0 0
- 3.3117 -0.0787 0.0000 H 0 0 0
- 0.7792 -2.5849 0.0000 H 0 0 0
- 2.0738 -3.2975 0.0000 H 0 0 0
- 2.7864 -2.0029 0.0000 H 0 0 0
- -3.0683 -1.7986 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-87-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 1.1742 0.1824 -0.0035 C 0 0 0
- 0.1168 -0.7085 -0.0029 C 0 0 0
- 0.9351 1.5445 -0.0019 C 0 0 0
- 2.5653 -0.3230 0.0002 N 0 3 0
- -1.1834 -0.2398 -0.0006 C 0 0 0
- -0.3616 2.0200 0.0003 C 0 0 0
- 3.4979 0.4605 -0.0003 O 0 0 0
- 2.7776 -1.5223 0.0039 O 0 5 0
- -1.4267 1.1287 0.0010 C 0 0 0
- -2.5108 -1.3586 -0.0004 Cl 0 0 0
- -2.7399 1.6066 0.0032 N 0 0 0
- 0.2995 -1.7295 0.0000 H 0 0 0
- 1.7307 2.2099 0.0000 H 0 0 0
- -0.5398 3.0418 0.0000 H 0 0 0
- -2.9201 2.6280 0.0000 H 0 0 0
- -3.5344 0.9399 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 11 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-40-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.6657 0.5292 -0.0030 C 0 0 0
- -1.0897 -0.8150 -0.0013 C 0 0 0
- 0.6881 0.8247 -0.0023 C 0 0 0
- -1.8999 1.3426 0.0005 C 0 0 0
- -2.5672 -0.7730 -0.0018 C 0 0 0
- -0.1504 -1.8338 0.0004 C 0 0 0
- 1.6162 -0.2048 0.0001 C 0 0 0
- -2.9595 0.5138 0.0041 N 0 0 0
- -1.9491 2.5561 0.0009 O 0 0 0
- -3.3038 -1.7386 -0.0007 O 0 0 0
- 1.2004 -1.5231 0.0004 C 0 0 0
- 3.0626 0.1096 0.0004 N 0 3 0
- 3.8818 -0.7918 0.0025 O 0 0 0
- 3.4337 1.2697 -0.0015 O 0 5 0
- 1.0062 1.8141 0.0000 H 0 0 0
- -0.4575 -2.8267 0.0000 H 0 0 0
- -3.9506 0.8264 0.0000 H 0 0 0
- 1.9055 -2.2866 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 5 8 1 0
- 7 11 1 0
- 3 15 1 0
- 6 16 1 0
- 8 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59-49-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.2491 0.7170 -0.0027 C 0 0 0
- -0.2294 -0.6775 -0.0003 C 0 0 0
- 1.0816 1.1343 -0.0022 N 0 0 0
- -1.4588 1.3937 0.0001 C 0 0 0
- 1.0705 -1.0618 0.0015 O 0 0 0
- -1.4234 -1.3818 -0.0005 C 0 0 0
- 1.8528 0.0290 0.0004 C 0 0 0
- -2.6434 0.6834 0.0053 C 0 0 0
- -2.6249 -0.7006 -0.0032 C 0 0 0
- 3.0688 0.0211 0.0011 O 0 0 0
- 1.4162 2.1147 0.0000 H 0 0 0
- -1.4744 2.4295 0.0000 H 0 0 0
- -1.4145 -2.4177 0.0000 H 0 0 0
- -3.5482 1.1879 0.0000 H 0 0 0
- -3.5165 -1.2280 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 2 0
- 5 7 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- 1.7214 0.3753 0.1359 C 0 0 0
- 0.8909 -0.8287 0.1192 C 0 0 0
- 3.1183 0.2464 -0.0555 C 0 0 0
- 1.1635 1.6438 0.3305 C 0 0 0
- -0.4523 -0.7480 0.2985 N 0 0 0
- 1.5126 -2.0662 -0.0862 C 0 0 0
- 3.6775 -1.0289 -0.2573 C 0 0 0
- 3.9214 1.3991 -0.0405 C 0 0 0
- 1.9722 2.7420 0.3390 C 0 0 0
- -1.1447 0.0979 -0.3865 N 0 0 0
- 2.8950 -2.1389 -0.2700 C 0 0 0
- 0.7511 -3.2269 -0.1068 N 0 0 0
- 3.3469 2.6183 0.1571 C 0 0 0
- -2.4970 0.1791 -0.2061 C 0 0 0
- -3.2504 1.0942 -0.9463 C 0 0 0
- -3.1341 -0.6568 0.7156 C 0 0 0
- -4.6148 1.1702 -0.7591 C 0 0 0
- -4.4988 -0.5694 0.8918 C 0 0 0
- -5.2377 0.3431 0.1589 C 0 0 0
- 0.1448 1.7565 0.0000 H 0 0 0
- 4.6972 -1.1316 0.0000 H 0 0 0
- 4.9427 1.3130 0.0000 H 0 0 0
- 1.5513 3.6765 0.0000 H 0 0 0
- 3.3427 -3.0608 0.0000 H 0 0 0
- -0.2721 -3.1685 0.0000 H 0 0 0
- 1.2121 -4.1422 0.0000 H 0 0 0
- 3.9341 3.4583 0.0000 H 0 0 0
- -2.7873 2.0085 0.0000 H 0 0 0
- -2.7089 -1.5893 0.0000 H 0 0 0
- -5.0465 2.0997 0.0000 H 0 0 0
- -4.9694 -1.4799 0.0000 H 0 0 0
- -6.2624 0.3251 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 7 11 1 0
- 9 13 1 0
- 18 19 1 0
- 4 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- -0.0515 0.0000 0.1311 C 0 0 0
- 0.7651 0.0000 1.3977 C 0 0 0
- 1.0515 0.0000 -1.2951 Cl 0 0 0
- -1.0915 -1.4722 0.0866 Cl 0 0 0
- -1.0915 1.4721 0.0866 Cl 0 0 0
- 1.9713 0.0000 1.3384 O 0 0 0
- 0.7651 0.9047 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-75-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.2215 0.0151 0.0034 C 0 0 0
- 0.7147 -1.0097 0.0015 C 0 0 0
- 0.1998 1.3366 0.0034 C 0 0 0
- -1.5494 -0.2760 -0.0003 O 0 0 0
- 2.0646 -0.7111 -0.0004 C 0 0 0
- 0.1910 -2.6648 0.0009 Cl 0 0 0
- 1.5497 1.6306 0.0015 C 0 0 0
- -2.2458 0.9718 0.0029 C 0 0 0
- 2.4819 0.6080 -0.0004 C 0 0 0
- -3.7312 0.7180 -0.0011 C 0 0 0
- 4.1774 0.9807 -0.0022 Cl 0 0 0
- -4.5886 1.7509 0.0010 O 0 0 0
- -4.1505 -0.4151 -0.0062 O 0 0 0
- -0.4987 2.1042 0.0000 H 0 0 0
- 2.7652 -1.4767 0.0000 H 0 0 0
- 1.8649 2.6194 0.0000 H 0 0 0
- -1.2882 1.3719 0.0000 H 0 0 0
- -2.5351 1.9685 0.0000 H 0 0 0
- -5.2515 2.5494 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103-70-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.1204 -0.0094 -0.4985 C 0 0 0
- 0.5400 -1.2067 -0.2544 C 0 0 0
- 0.5337 1.1967 -0.2857 C 0 0 0
- -1.4401 -0.0188 -0.9634 N 0 0 0
- 1.8443 -1.1941 0.1990 C 0 0 0
- 1.8384 1.2025 0.1679 C 0 0 0
- -2.4636 -0.0124 -0.0865 C 0 0 0
- 2.4930 0.0090 0.4099 C 0 0 0
- -2.2409 0.0272 1.1051 O 0 0 0
- 0.0409 -2.0614 0.0000 H 0 0 0
- 0.0255 2.0461 0.0000 H 0 0 0
- -1.4397 -1.0086 0.0000 H 0 0 0
- 2.3557 -2.0415 0.0000 H 0 0 0
- 2.3408 2.0553 0.0000 H 0 0 0
- -3.4498 -0.0963 0.0000 H 0 0 0
- 3.4828 0.0125 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 2 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-640-15-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 2.0192 -0.0108 0.0030 P 0 0 0
- 0.3154 -0.8716 -0.9194 S 0 0 0
- 2.2206 -0.6545 1.4650 O 0 0 0
- 3.3219 -0.3037 -0.8965 O 0 0 0
- 1.7757 1.8298 0.1628 S 0 0 0
- -1.0008 -0.0120 -0.0143 C 0 0 0
- 2.1641 -2.0731 1.3030 C 0 0 0
- 4.3934 0.4539 -0.3307 C 0 0 0
- -2.3634 -0.4856 -0.5240 C 0 0 0
- -3.6797 0.3740 0.3810 S 0 0 0
- -5.1375 -0.3626 -0.4082 C 0 0 0
- -6.4058 0.2277 0.2114 C 0 0 0
- -0.2263 0.7435 0.0000 H 0 0 0
- -1.5698 0.9082 0.0000 H 0 0 0
- 1.0830 -2.0300 0.0000 H 0 0 0
- 2.1210 -3.1542 0.0000 H 0 0 0
- 3.2452 -2.1162 0.0000 H 0 0 0
- 5.0180 -0.4295 0.0000 H 0 0 0
- 5.2768 1.0785 0.0000 H 0 0 0
- 3.7688 1.3373 0.0000 H 0 0 0
- -3.1378 -1.2411 0.0000 H 0 0 0
- -1.7944 -1.4058 0.0000 H 0 0 0
- -5.7992 -1.2186 0.0000 H 0 0 0
- -4.4486 -1.1968 0.0000 H 0 0 0
- -5.9493 1.2086 0.0000 H 0 0 0
- -7.3867 0.6842 0.0000 H 0 0 0
- -6.8623 -0.7532 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-30560-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.2398 -0.0229 0.2263 P 0 0 0
- 1.0475 -0.5444 -0.6458 N 0 0 0
- -0.1731 1.5787 0.3762 O 0 0 0
- -2.0326 -0.5657 -0.7665 S 0 0 0
- -0.2112 -0.6456 1.5686 O 0 0 0
- 2.2995 -0.3105 -0.2050 C 0 0 0
- -0.5388 2.1278 -0.8914 C 0 0 0
- -3.2048 -0.4471 0.6128 C 0 0 0
- 3.4823 -0.7897 -1.0063 C 0 0 0
- 2.4741 0.2857 0.8367 O 0 0 0
- 0.9520 -1.4949 0.0000 H 0 0 0
- 0.2563 2.6573 0.0000 H 0 0 0
- -1.0683 2.9229 0.0000 H 0 0 0
- -1.3339 1.5983 0.0000 H 0 0 0
- -3.1086 0.5033 0.0000 H 0 0 0
- -4.1552 -0.3509 0.0000 H 0 0 0
- -3.3010 -1.3975 0.0000 H 0 0 0
- 3.1236 -1.6750 0.0000 H 0 0 0
- 4.3676 -1.1484 0.0000 H 0 0 0
- 3.8410 0.0956 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 2 11 1 0
- 7 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-63-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 53 1 V2000
- 1.4891 -1.2202 -0.4111 C 0 0 0
- 0.0286 -0.7645 -0.4111 C 0 0 0
- 2.3300 -0.1244 -0.0447 O 0 0 0
- 1.6681 -2.3590 0.5949 C 0 0 0
- 1.8705 -1.7104 -1.8094 C 0 0 0
- -0.0286 0.7645 -0.4111 C 0 0 0
- 3.7112 -0.6244 -0.0630 O 0 0 0
- -1.4891 1.2202 -0.4111 C 0 0 0
- 4.5406 0.4357 0.4167 C 0 0 0
- -2.3300 0.1244 -0.0447 O 0 0 0
- -1.6681 2.3590 0.5948 C 0 0 0
- -1.8704 1.7102 -1.8094 C 0 0 0
- 6.0006 -0.0219 0.4229 C 0 0 0
- 4.3918 1.6534 -0.4977 C 0 0 0
- 4.1177 0.8108 1.8384 C 0 0 0
- -3.7112 0.6244 -0.0631 O 0 0 0
- -4.5407 -0.4357 0.4167 C 0 0 0
- -4.1177 -0.8107 1.8384 C 0 0 0
- -6.0006 0.0220 0.4228 C 0 0 0
- -4.3918 -1.6534 -0.4976 C 0 0 0
- -0.9780 -0.6880 0.0000 H 0 0 0
- -0.1612 -1.7560 0.0000 H 0 0 0
- 0.6708 -2.5158 0.0000 H 0 0 0
- 1.8249 -3.3563 0.0000 H 0 0 0
- 2.6654 -2.2022 0.0000 H 0 0 0
- 1.0737 -2.3303 0.0000 H 0 0 0
- 2.4904 -2.5072 0.0000 H 0 0 0
- 2.6673 -1.0905 0.0000 H 0 0 0
- 0.9780 0.6880 0.0000 H 0 0 0
- 0.1612 1.7560 0.0000 H 0 0 0
- -0.6708 2.5158 0.0000 H 0 0 0
- -1.8249 3.3563 0.0000 H 0 0 0
- -2.6654 2.2022 0.0000 H 0 0 0
- -1.0737 2.3302 0.0000 H 0 0 0
- -2.4904 2.5069 0.0000 H 0 0 0
- -2.6671 1.0902 0.0000 H 0 0 0
- 5.6987 -0.9852 0.0000 H 0 0 0
- 6.9639 -0.3238 0.0000 H 0 0 0
- 6.3025 0.9414 0.0000 H 0 0 0
- 5.3939 1.7759 0.0000 H 0 0 0
- 4.2693 2.6555 0.0000 H 0 0 0
- 3.3897 1.5309 0.0000 H 0 0 0
- 4.7876 1.5661 0.0000 H 0 0 0
- 3.3624 1.4807 0.0000 H 0 0 0
- 3.4478 0.0555 0.0000 H 0 0 0
- -4.7874 -1.5661 0.0000 H 0 0 0
- -3.3623 -1.4804 0.0000 H 0 0 0
- -3.4480 -0.0553 0.0000 H 0 0 0
- -5.6986 0.9853 0.0000 H 0 0 0
- -6.9639 0.3240 0.0000 H 0 0 0
- -6.3026 -0.9413 0.0000 H 0 0 0
- -5.3939 -1.7759 0.0000 H 0 0 0
- -4.2693 -2.6555 0.0000 H 0 0 0
- -3.3897 -1.5309 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 9 15 1 0
- 10 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 17 20 1 0
- 2 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 5 27 1 0
- 5 28 1 0
- 6 29 1 0
- 6 30 1 0
- 11 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 15 45 1 0
- 18 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
- 20 53 1 0
- 20 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24279-91-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.0088 1.3999 -0.0233 C 0 0 0
- 0.0726 0.2152 -0.6788 C 0 0 0
- 1.0692 2.2723 -0.0761 N 0 0 0
- -1.2119 1.7584 0.7485 C 0 0 0
- -1.0215 -0.6846 -0.6246 C 0 0 0
- 1.3067 -0.1457 -1.4647 C 0 0 0
- 1.7529 3.3674 -0.7687 C 0 0 0
- 2.3106 2.7678 0.5237 C 0 0 0
- -2.3080 0.8610 0.7982 C 0 0 0
- -1.2689 2.8207 1.3366 O 0 0 0
- -2.2401 -0.3283 0.1514 C 0 0 0
- -0.9640 -1.7473 -1.2118 O 0 0 0
- 2.0867 -1.2307 -0.7195 C 0 0 0
- 0.9256 -0.6327 -2.7529 O 0 0 0
- -3.5441 1.2239 1.5802 C 0 0 0
- -3.3009 -1.2003 0.2035 N 0 0 0
- 2.3709 -0.7810 0.6315 O 0 0 0
- 1.0173 0.4713 -3.6556 C 0 0 0
- -3.9675 -2.3181 0.8762 C 0 0 0
- -4.5662 -1.6643 -0.3708 C 0 0 0
- 3.0524 -1.5773 1.4766 C 0 0 0
- 3.3163 -1.1599 2.7307 N 0 0 0
- 3.4297 -2.6722 1.1087 O 0 0 0
- 1.8569 0.6315 0.0000 H 0 0 0
- 2.3906 4.0746 0.0000 H 0 0 0
- 0.9925 3.9406 0.0000 H 0 0 0
- 2.7696 1.9335 0.0000 H 0 0 0
- 3.0822 3.3258 0.0000 H 0 0 0
- 1.3908 -1.8806 0.0000 H 0 0 0
- 2.8201 -1.8380 0.0000 H 0 0 0
- -3.2759 2.1376 0.0000 H 0 0 0
- -4.4578 1.4921 0.0000 H 0 0 0
- -3.8123 0.3102 0.0000 H 0 0 0
- 1.9662 0.3925 0.0000 H 0 0 0
- 1.0961 1.4202 0.0000 H 0 0 0
- 0.0684 0.5501 0.0000 H 0 0 0
- -4.6040 -3.0263 0.0000 H 0 0 0
- -3.2009 -2.8829 0.0000 H 0 0 0
- -5.0072 -0.8203 0.0000 H 0 0 0
- -5.3459 -2.2109 0.0000 H 0 0 0
- 4.2677 -1.1982 0.0000 H 0 0 0
- 2.8737 -0.3168 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 21 22 1 0
- 21 23 2 0
- 7 8 1 0
- 9 11 2 0
- 19 20 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 13 29 1 0
- 13 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89-59-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 2.0497 -0.8371 -0.0251 N 0 3 0
- 2.7884 -0.7723 -0.9913 O 0 5 0
- 2.3405 -1.5523 0.9169 O 0 0 0
- 0.8018 -0.0419 0.0070 C 0 0 0
- 0.8628 1.3371 0.0783 C 0 0 0
- -0.4245 -0.6783 -0.0399 C 0 0 0
- 2.2001 2.0305 0.1232 C 0 0 0
- -0.3025 2.0806 0.1078 C 0 0 0
- -1.5907 0.0650 -0.0099 C 0 0 0
- -1.5290 1.4453 0.0667 C 0 0 0
- -3.1311 -0.7334 -0.0694 Cl 0 0 0
- -0.4705 -1.7135 0.0000 H 0 0 0
- 2.6771 1.1106 0.0000 H 0 0 0
- 3.1200 2.5075 0.0000 H 0 0 0
- 1.7231 2.9504 0.0000 H 0 0 0
- -0.2559 3.1158 0.0000 H 0 0 0
- -2.4021 2.0034 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 8 2 0
- 11 9 1 0
- 9 10 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25917-89-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.6327 0.1439 0.0112 C 0 0 0
- -0.2181 -1.1768 -0.0956 C 0 0 0
- 0.3026 1.1564 0.0985 C 0 0 0
- -2.0769 0.4674 0.0255 N 0 3 0
- 1.1370 -1.4799 -0.1143 C 0 0 0
- -1.1663 -2.2031 -0.1840 N 0 0 0
- 1.6574 0.8534 0.0793 C 0 0 0
- -2.5331 1.2528 -0.7860 O 0 0 0
- -2.8092 -0.0519 0.8487 O 0 5 0
- 2.0721 -0.4678 -0.0271 C 0 0 0
- 2.6055 1.8796 0.1682 N 0 0 0
- 3.5426 -0.7967 -0.0469 C 0 0 0
- -0.0072 2.1491 0.0000 H 0 0 0
- 1.4467 -2.4726 0.0000 H 0 0 0
- -2.1806 -1.9739 0.0000 H 0 0 0
- -0.8577 -3.1961 0.0000 H 0 0 0
- 3.6198 1.6504 0.0000 H 0 0 0
- 2.2969 2.8726 0.0000 H 0 0 0
- 3.3156 -1.8115 0.0000 H 0 0 0
- 4.5574 -1.0237 0.0000 H 0 0 0
- 3.7696 0.2181 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.9745 -1.4511 -0.5174 C 0 0 0
- -0.4367 -1.9749 -0.2437 C 0 0 0
- 1.2493 0.0045 -0.2401 C 0 0 0
- 0.6745 -2.2958 0.5954 O 0 0 0
- 1.7466 -2.0609 -1.6891 C 0 0 0
- -1.2584 -0.8902 0.4038 C 0 0 0
- 2.0925 0.3637 0.7945 C 0 0 0
- 0.6624 0.9804 -1.0241 C 0 0 0
- -2.0594 -0.1169 -0.3460 O 0 0 0
- -1.1961 -0.7165 1.5979 O 0 0 0
- 2.3445 1.6991 1.0490 C 0 0 0
- 0.9145 2.3153 -0.7698 C 0 0 0
- -2.9486 0.8388 0.2899 C 0 0 0
- 1.7534 2.6748 0.2688 C 0 0 0
- -3.6557 1.6694 -0.7829 C 0 0 0
- -0.9207 -2.6796 0.0000 H 0 0 0
- 1.2168 -2.7317 0.0000 H 0 0 0
- 2.4174 -2.5907 0.0000 H 0 0 0
- 2.2764 -1.3901 0.0000 H 0 0 0
- 2.7586 -0.1720 0.0000 H 0 0 0
- -0.1790 0.8296 0.0000 H 0 0 0
- 3.1857 1.8514 0.0000 H 0 0 0
- 0.2478 2.8503 0.0000 H 0 0 0
- -3.7870 0.6720 0.0000 H 0 0 0
- -3.2114 0.0254 0.0000 H 0 0 0
- 2.0147 3.4887 0.0000 H 0 0 0
- -3.0048 2.2235 0.0000 H 0 0 0
- -4.2098 2.3203 0.0000 H 0 0 0
- -4.3066 1.1153 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 9 13 1 0
- 11 14 2 0
- 13 15 1 0
- 2 4 1 0
- 12 14 1 0
- 2 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 1.9025 -0.0732 -0.0010 C 0 0 0
- 0.5308 0.5509 0.0001 C 0 0 0
- 2.9948 0.7070 -0.0001 O 0 0 0
- 2.0191 -1.2758 0.0024 O 0 0 0
- -0.5308 -0.5509 -0.0012 C 0 0 0
- 4.3164 0.1057 -0.0012 C 0 0 0
- -1.9025 0.0732 -0.0002 C 0 0 0
- -2.9948 -0.7070 -0.0010 O 0 0 0
- -2.0191 1.2758 0.0015 O 0 0 0
- -4.3164 -0.1057 0.0000 C 0 0 0
- 1.0909 1.4848 0.0000 H 0 0 0
- -0.3338 1.2130 0.0000 H 0 0 0
- -1.0909 -1.4848 0.0000 H 0 0 0
- 0.3338 -1.2130 0.0000 H 0 0 0
- 3.8654 -0.8855 0.0000 H 0 0 0
- 5.3076 -0.3453 0.0000 H 0 0 0
- 4.7674 1.0969 0.0000 H 0 0 0
- -3.8654 0.8855 0.0000 H 0 0 0
- -5.3076 0.3453 0.0000 H 0 0 0
- -4.7674 -1.0969 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 1 0
- 2 11 1 0
- 2 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7597-18-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -1.1900 0.5948 -0.0027 C 0 0 0
- -1.6021 -0.7517 -0.0014 C 0 0 0
- 0.1703 0.8941 -0.0019 C 0 0 0
- -2.3295 1.3561 0.0009 N 0 0 0
- -0.6416 -1.7695 -0.0002 C 0 0 0
- -3.0612 -0.7340 -0.0022 C 0 0 0
- 1.0888 -0.1168 0.0001 C 0 0 0
- -3.4440 0.5109 0.0043 N 0 0 0
- 0.6842 -1.4463 -0.0002 C 0 0 0
- 2.5329 0.2077 0.0005 N 0 3 0
- 3.3583 -0.6879 0.0023 O 0 0 0
- 2.8958 1.3704 -0.0010 O 0 5 0
- 0.4866 1.8872 0.0000 H 0 0 0
- -2.3607 2.3979 0.0000 H 0 0 0
- -0.9373 -2.7690 0.0000 H 0 0 0
- -3.6856 -1.5686 0.0000 H 0 0 0
- 1.4002 -2.2038 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 2 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 41 1 V2000
- -0.1086 -0.1582 0.0592 C 0 0 0
- -1.3534 -0.8036 0.2347 C 0 0 0
- -0.0685 1.2024 -0.1431 C 0 0 0
- 1.0738 -0.8956 0.0967 N 0 0 0
- -2.5421 -0.0347 0.1989 C 0 0 0
- -1.4204 -2.1229 0.4323 N 0 0 0
- -1.2447 1.9551 -0.1774 C 0 0 0
- 1.9175 -0.9882 -1.0974 C 0 0 0
- -2.4704 1.3517 -0.0097 C 0 0 0
- -3.7797 -0.6836 0.3744 C 0 0 0
- -2.5702 -2.7309 0.5956 C 0 0 0
- -1.1781 3.2974 -0.3783 O 0 0 0
- 3.3847 -1.0981 -0.6779 C 0 0 0
- 1.5239 -2.2266 -1.9051 C 0 0 0
- -3.7768 -2.0347 0.5725 C 0 0 0
- -2.5215 3.7844 -0.3628 C 0 0 0
- 3.7783 0.1403 0.1299 C 0 0 0
- 5.2455 0.0305 0.5494 C 0 0 0
- 5.6234 1.2195 1.3250 N 0 0 0
- 0.8448 1.6849 0.0000 H 0 0 0
- 0.7357 -1.8716 0.0000 H 0 0 0
- 2.0124 0.0403 0.0000 H 0 0 0
- -3.3330 1.9199 0.0000 H 0 0 0
- -4.6641 -0.1500 0.0000 H 0 0 0
- -2.5893 -3.7636 0.0000 H 0 0 0
- 3.2279 -2.1190 0.0000 H 0 0 0
- 4.3904 -1.3337 0.0000 H 0 0 0
- 0.5395 -1.9137 0.0000 H 0 0 0
- 1.2110 -3.2110 0.0000 H 0 0 0
- 2.5083 -2.5395 0.0000 H 0 0 0
- -4.6707 -2.5522 0.0000 H 0 0 0
- -2.1695 4.7555 0.0000 H 0 0 0
- -3.4926 4.1364 0.0000 H 0 0 0
- -2.8735 2.8133 0.0000 H 0 0 0
- 3.9351 1.1612 0.0000 H 0 0 0
- 2.7726 0.3758 0.0000 H 0 0 0
- 5.0887 -0.9904 0.0000 H 0 0 0
- 6.2512 -0.2050 0.0000 H 0 0 0
- 6.6323 1.4407 0.0000 H 0 0 0
- 4.9273 1.9826 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 12 16 1 0
- 13 17 1 0
- 17 18 1 0
- 18 19 1 0
- 7 9 2 0
- 11 15 1 0
- 3 20 1 0
- 4 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-156-43-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.5321 -0.3824 0.0027 C 0 0 0
- 0.3885 -1.4195 0.0014 C 0 0 0
- -0.0949 0.9341 0.0025 C 0 0 0
- -1.8642 -0.6561 -0.0014 O 0 0 0
- 1.7417 -1.1424 -0.0002 C 0 0 0
- 1.2576 1.2130 0.0009 C 0 0 0
- -2.5442 0.6008 0.0013 C 0 0 0
- 2.1802 0.1749 -0.0005 C 0 0 0
- -4.0556 0.3630 -0.0031 C 0 0 0
- 3.5509 0.4566 -0.0026 N 0 0 0
- 0.0597 -2.4070 0.0000 H 0 0 0
- -0.7865 1.7119 0.0000 H 0 0 0
- 2.4325 -1.9210 0.0000 H 0 0 0
- 1.5854 2.2009 0.0000 H 0 0 0
- -1.5786 0.9894 0.0000 H 0 0 0
- -2.8212 1.6041 0.0000 H 0 0 0
- -4.2174 1.3912 0.0000 H 0 0 0
- -5.0838 0.2012 0.0000 H 0 0 0
- -3.8938 -0.6652 0.0000 H 0 0 0
- 4.2421 -0.3216 0.0000 H 0 0 0
- 3.8792 1.4443 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 6 8 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104010-37-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- -0.0258 2.6337 0.1886 N 0 0 0
- -1.0862 2.7013 1.2087 C 0 0 1
- 1.2654 2.0905 0.2792 C 0 0 0
- -0.8904 3.0626 -0.7310 C 0 0 0
- -2.1242 2.8429 0.1141 C 0 0 1
- -1.1026 1.1031 2.0615 S 0 0 0
- 1.5562 1.2953 1.3148 C 0 0 0
- 2.2421 2.3787 -0.7081 C 0 0 0
- -0.7391 3.4838 -1.8583 O 0 0 0
- -2.6963 1.5287 -0.1893 N 0 0 0
- 0.6581 0.9542 2.4539 C 0 0 0
- 2.9324 0.6813 1.3308 C 0 0 0
- 2.3641 1.5863 -1.7808 O 0 0 0
- 3.0425 3.4435 -0.5675 O 0 0 0
- -3.9675 1.4318 -0.6265 C 0 0 0
- 2.8745 -0.9498 0.5483 S 0 0 0
- -4.5461 0.1025 -0.9334 C 0 0 0
- -4.6391 2.4343 -0.7689 O 0 0 0
- 4.3416 -1.9169 0.4179 C 0 0 0
- -5.3507 -0.6066 0.0846 C 0 0 0
- -4.3459 -0.4414 -2.1002 N 0 0 0
- 4.2947 -3.2386 -0.2162 C 0 0 0
- 5.3942 -1.4880 0.8541 O 0 0 0
- -5.4893 -0.0869 1.3440 C 0 0 0
- -5.9543 -1.7563 -0.2135 N 0 0 0
- -3.4965 0.1913 -3.0400 O 0 0 0
- 5.3515 -4.0869 -0.3816 C 0 0 0
- 3.1986 -3.8315 -0.7328 O 0 0 0
- -6.5268 -1.3283 2.1048 S 0 0 0
- -6.6757 -2.4014 0.6835 C 0 0 0
- -3.4798 -0.6365 -4.2047 C 0 0 0
- 4.8550 -5.2285 -1.0306 C 0 0 0
- 3.5329 -5.0308 -1.2268 C 0 0 0
- -7.3674 -3.5942 0.5564 N 0 0 0
- 16.8819 1.3989 0.3405 Na 0 3 0
- -0.9933 3.6304 0.0000 H 0 0 0
- -2.7028 3.5758 0.0000 H 0 0 0
- -2.1552 0.7677 0.0000 H 0 0 0
- 0.2445 0.1170 0.0000 H 0 0 0
- 1.2860 0.2630 0.0000 H 0 0 0
- 3.8537 0.5293 0.0000 H 0 0 0
- 3.2008 1.5756 0.0000 H 0 0 0
- -5.2876 0.8248 0.0000 H 0 0 0
- 6.2580 -3.8631 0.0000 H 0 0 0
- -4.4134 -0.6553 0.0000 H 0 0 0
- -3.4610 -1.5701 0.0000 H 0 0 0
- -2.5462 -0.6177 0.0000 H 0 0 0
- 5.3076 -6.0452 0.0000 H 0 0 0
- 2.9146 -5.7305 0.0000 H 0 0 0
- -8.3012 -3.5924 0.0000 H 0 0 0
- -6.9021 -4.4038 0.0000 H 0 0 0
- 3.6036 4.1899 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 17 21 2 0
- 19 22 1 0
- 19 23 2 0
- 20 24 2 0
- 20 25 1 0
- 21 26 1 0
- 22 27 2 0
- 22 28 1 0
- 24 29 1 0
- 25 30 2 0
- 26 31 1 0
- 27 32 1 0
- 28 33 1 0
- 30 34 1 0
- 4 5 1 0
- 7 11 1 0
- 29 30 1 0
- 32 33 2 0
- 2 36 1 0
- 5 37 1 0
- 10 38 1 0
- 11 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 24 43 1 0
- 27 44 1 0
- 31 45 1 0
- 31 46 1 0
- 31 47 1 0
- 32 48 1 0
- 33 49 1 0
- 34 50 1 0
- 34 51 1 0
- 14 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78448-07-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.2704 -0.9475 0.0021 C 0 0 0
- -1.1632 -0.6542 0.0015 C 0 0 0
- 1.4754 -0.1252 0.0013 C 0 0 0
- 0.3950 -2.3395 -0.0030 C 0 0 0
- -1.9481 0.5749 0.0004 C 0 0 0
- -1.8253 -1.8851 0.0027 C 0 0 0
- 2.7370 -0.7684 0.0024 C 0 0 0
- 1.4094 1.2729 -0.0009 C 0 0 0
- -0.8737 -2.8847 -0.0067 N 0 0 0
- 1.6691 -2.9248 -0.0032 C 0 0 0
- -3.3610 0.4803 0.0005 C 0 0 0
- -1.3401 1.8355 -0.0004 C 0 0 0
- -3.2271 -1.9219 0.0028 C 0 0 0
- 2.7980 -2.1755 0.0037 C 0 0 0
- 3.9052 0.0098 0.0017 C 0 0 0
- 2.5569 2.0073 -0.0020 C 0 0 0
- -3.9705 -0.7892 0.0022 C 0 0 0
- -4.1269 1.6570 -0.0006 C 0 0 0
- -2.1141 2.9582 -0.0009 C 0 0 0
- 3.8063 1.3829 0.0000 C 0 0 0
- -3.5032 2.8681 -0.0017 C 0 0 0
- 4.9360 2.1388 -0.0006 O 0 0 0
- 0.4776 1.7546 0.0000 H 0 0 0
- -1.0842 -3.9123 0.0000 H 0 0 0
- 1.7505 -3.9706 0.0000 H 0 0 0
- -0.2943 1.9163 0.0000 H 0 0 0
- -3.7132 -2.8514 0.0000 H 0 0 0
- 3.7329 -2.6513 0.0000 H 0 0 0
- 4.8472 -0.4518 0.0000 H 0 0 0
- 2.5014 3.0548 0.0000 H 0 0 0
- -5.0171 -0.8590 0.0000 H 0 0 0
- -5.1745 1.6038 0.0000 H 0 0 0
- -1.6567 3.9022 0.0000 H 0 0 0
- -4.0781 3.7455 0.0000 H 0 0 0
- 5.8078 2.7221 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 18 21 2 0
- 20 22 1 0
- 6 9 1 0
- 10 14 2 0
- 13 17 2 0
- 16 20 1 0
- 19 21 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2435-76-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.8816 0.3554 0.0030 C 0 0 0
- -0.2360 -0.9667 0.0011 C 0 0 0
- -0.0584 1.4846 0.0028 C 0 0 0
- -2.1267 0.4651 -0.0004 N 0 3 0
- 1.1143 -1.0138 -0.0007 N 0 0 0
- -0.8983 -1.9871 0.0008 O 0 0 0
- 1.2498 1.3348 0.0010 N 0 0 0
- -3.2464 0.5637 -0.0035 N 0 5 0
- 1.8285 0.1251 -0.0007 C 0 0 0
- 3.0434 0.0559 -0.0023 O 0 0 0
- -0.4588 2.3973 0.0000 H 0 0 0
- 1.5815 -1.8942 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 9 10 2 0
- 7 9 1 0
- 3 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2385-85-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 26 1 V2000
- 0.6485 0.4744 0.0000 C 0 0 1
- 1.2941 1.4142 0.0000 C 0 0 2
- -1.0299 0.4834 0.0000 C 0 0 2
- 0.6636 -1.0569 0.0000 C 0 0 1
- 1.7084 0.4894 0.0000 Cl 0 0 0
- -0.5375 1.4142 0.0000 C 0 0 2
- 1.2851 -0.2582 0.0000 C 0 0 1
- 1.7174 2.0117 0.0000 Cl 0 0 0
- -1.0299 -1.0479 0.0000 C 0 0 2
- -2.0958 1.7625 0.0000 C 0 0 0
- -2.3450 0.4744 0.0000 Cl 0 0 0
- 1.9096 -1.5643 0.0000 C 0 0 0
- 0.1231 -1.8736 0.0000 Cl 0 0 0
- -0.5375 -0.2642 0.0000 C 0 0 1
- -0.0601 2.0687 0.0000 Cl 0 0 0
- 2.2009 -0.0300 0.0000 Cl 0 0 0
- -1.4172 -1.7445 0.0000 Cl 0 0 0
- -2.0958 2.4411 0.0000 Cl 0 0 0
- -2.9695 1.7685 0.0000 Cl 0 0 0
- 2.7893 -1.5583 0.0000 Cl 0 0 0
- 1.9096 -2.3570 0.0000 Cl 0 0 0
- -1.5133 -0.0150 0.0000 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 1
- 2 6 1 0
- 2 7 1 0
- 2 8 1 6
- 3 9 1 0
- 3 10 1 0
- 3 11 1 1
- 4 12 1 0
- 4 13 1 1
- 6 14 1 0
- 6 15 1 6
- 7 16 1 6
- 9 17 1 1
- 10 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 14 22 1 6
- 4 9 1 0
- 6 10 1 0
- 7 12 1 0
- 7 14 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2425-79-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -5.4495 -0.2064 -0.4317 C 0 0 0
- -6.6738 -0.2051 0.4859 C 0 0 0
- -6.2024 0.9779 -0.1623 O 0 0 0
- -4.1763 -0.2052 0.4167 C 0 0 0
- -3.0328 -0.2064 -0.4404 O 0 0 0
- -1.8818 -0.2052 0.4065 C 0 0 0
- -0.6162 -0.2064 -0.4531 C 0 0 0
- 0.6162 -0.2052 0.4537 C 0 0 0
- 1.8818 -0.2063 -0.4060 C 0 0 0
- 3.0328 -0.2052 0.4410 O 0 0 0
- 4.1763 -0.2064 -0.4161 C 0 0 0
- 5.4495 -0.2052 0.4323 C 0 0 0
- 6.6738 -0.2064 -0.4854 C 0 0 0
- 6.2024 0.9784 0.1597 O 0 0 0
- -5.4496 -1.1556 0.0000 H 0 0 0
- -7.5927 0.0326 0.0000 H 0 0 0
- -6.7941 -1.1466 0.0000 H 0 0 0
- -3.7014 0.6166 0.0000 H 0 0 0
- -4.6511 0.6167 0.0000 H 0 0 0
- -1.4070 0.6167 0.0000 H 0 0 0
- -2.3567 0.6167 0.0000 H 0 0 0
- -1.0911 -1.0283 0.0000 H 0 0 0
- -0.1413 -1.0283 0.0000 H 0 0 0
- 1.0910 0.6167 0.0000 H 0 0 0
- 0.1413 0.6167 0.0000 H 0 0 0
- 1.4070 -1.0282 0.0000 H 0 0 0
- 2.3567 -1.0282 0.0000 H 0 0 0
- 3.7014 -1.0282 0.0000 H 0 0 0
- 4.6511 -1.0283 0.0000 H 0 0 0
- 5.4495 -1.1544 0.0000 H 0 0 0
- 6.7927 -1.1481 0.0000 H 0 0 0
- 7.5930 0.0304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 2 3 1 0
- 13 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 4 18 1 0
- 4 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-156243-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.4414 0.2903 -0.0035 C 0 0 0
- -0.5436 -1.1246 -0.0016 C 0 0 0
- 0.8280 0.8897 -0.0025 C 0 0 0
- -1.5546 1.0329 -0.0007 N 0 0 0
- 0.6275 -1.9042 0.0013 C 0 0 0
- -1.7514 -1.6980 -0.0021 N 0 0 0
- 1.9543 0.0966 0.0004 C 0 0 0
- 0.9577 2.3911 -0.0050 C 0 0 0
- -2.7295 0.4449 0.0038 C 0 0 0
- 1.8444 -1.3005 0.0022 C 0 0 0
- -2.8295 -0.9474 -0.0044 C 0 0 0
- 3.2164 0.6898 0.0009 N 0 0 0
- -3.9824 1.2823 0.0074 C 0 0 0
- 4.4190 -0.1469 0.0040 C 0 0 0
- 0.5612 -2.9490 0.0000 H 0 0 0
- 2.0007 2.3010 0.0000 H 0 0 0
- 1.0478 3.4341 0.0000 H 0 0 0
- -0.0853 2.4812 0.0000 H 0 0 0
- 2.7118 -1.8868 0.0000 H 0 0 0
- -3.7743 -1.3985 0.0000 H 0 0 0
- 3.3045 1.7330 0.0000 H 0 0 0
- -3.4007 2.1527 0.0000 H 0 0 0
- -4.8528 1.8640 0.0000 H 0 0 0
- -4.5641 0.4119 0.0000 H 0 0 0
- 3.8211 -1.0063 0.0000 H 0 0 0
- 5.2784 -0.7448 0.0000 H 0 0 0
- 5.0169 0.7125 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 12 14 1 0
- 7 10 1 0
- 9 11 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-481-74-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.1426 0.8628 0.0742 C 0 0 0
- -0.9712 -0.5354 0.0792 C 0 0 0
- 0.0377 1.7446 0.2041 C 0 0 0
- -2.4166 1.4013 -0.0582 C 0 0 0
- 0.3830 -1.1061 0.2141 C 0 0 0
- -2.0851 -1.3684 -0.0442 C 0 0 0
- 1.3891 1.1692 0.0309 C 0 0 0
- -0.1012 2.9266 0.4495 O 0 0 0
- -3.5132 0.5624 -0.1850 C 0 0 0
- 1.5565 -0.2291 0.0366 C 0 0 0
- 0.5303 -2.2861 0.4684 O 0 0 0
- -3.3538 -0.8077 -0.1712 C 0 0 0
- -1.9325 -2.7157 -0.0407 O 0 0 0
- 2.4937 1.9960 -0.1367 C 0 0 0
- -4.8924 1.1526 -0.3288 C 0 0 0
- 2.8327 -0.7729 -0.1270 C 0 0 0
- 3.7543 1.4427 -0.2979 C 0 0 0
- 3.9257 0.0736 -0.2935 C 0 0 0
- 3.0062 -2.1177 -0.1241 O 0 0 0
- -2.5475 2.4304 0.0000 H 0 0 0
- -4.1888 -1.4232 0.0000 H 0 0 0
- -1.8158 -3.7465 0.0000 H 0 0 0
- 2.3752 3.0266 0.0000 H 0 0 0
- -4.4843 2.1063 0.0000 H 0 0 0
- -5.8461 1.5607 0.0000 H 0 0 0
- -5.3005 0.1989 0.0000 H 0 0 0
- 4.5858 2.0629 0.0000 H 0 0 0
- 4.8837 -0.3243 0.0000 H 0 0 0
- 3.1389 -3.1465 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 7 10 2 0
- 9 12 2 0
- 17 18 1 0
- 4 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55792-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 62 1 V2000
- 0.0069 0.5697 1.2152 C 0 0 0
- -1.2480 1.1708 1.1530 C 0 0 0
- 1.0704 1.2517 1.7840 C 0 0 0
- 0.1866 -0.6855 0.7240 O 0 0 0
- -2.3277 0.4854 0.5792 N 0 0 0
- -1.4267 2.4491 1.6608 C 0 0 0
- 0.8849 2.5256 2.2881 C 0 0 0
- 1.5609 -1.0175 0.9317 C 0 0 0
- -3.0346 1.0549 -0.4170 C 0 0 0
- -0.3607 3.1228 2.2266 C 0 0 0
- 1.8316 -2.4257 0.3982 C 0 0 0
- -4.1440 0.4522 -0.8852 O 0 0 0
- -2.6708 2.1123 -0.8927 O 0 0 0
- 3.3030 -2.7811 0.6205 C 0 0 0
- -4.9056 1.0658 -1.9585 C 0 0 0
- 3.5737 -4.1893 0.0870 C 0 0 0
- -6.1086 0.1838 -2.2990 C 0 0 0
- 5.0451 -4.5448 0.3093 C 0 0 0
- -6.9625 0.0410 -1.1122 N 0 0 0
- 5.3158 -5.9530 -0.2242 C 0 0 0
- -8.0904 -0.8107 -1.5046 C 0 0 0
- -7.5025 1.3727 -0.8187 C 0 0 0
- 6.7873 -6.3084 -0.0018 C 0 0 0
- -9.0337 -1.0008 -0.3152 C 0 0 0
- -8.4134 1.3029 0.4085 C 0 0 0
- -9.5858 0.3625 0.1128 C 0 0 0
- 16.9387 3.2122 -1.2301 Cl 0 0 0
- 2.0130 0.8217 0.0000 H 0 0 0
- -2.3860 -0.5490 0.0000 H 0 0 0
- -2.3666 2.8849 0.0000 H 0 0 0
- 1.7195 3.1394 0.0000 H 0 0 0
- 2.5957 -0.9682 0.0000 H 0 0 0
- 1.6589 0.0139 0.0000 H 0 0 0
- -0.4210 4.1571 0.0000 H 0 0 0
- 0.7968 -2.4750 0.0000 H 0 0 0
- 1.7336 -3.4571 0.0000 H 0 0 0
- 4.3378 -2.7318 0.0000 H 0 0 0
- 3.4010 -1.7497 0.0000 H 0 0 0
- -4.1882 1.8133 0.0000 H 0 0 0
- -5.5882 1.8452 0.0000 H 0 0 0
- 2.5388 -4.2386 0.0000 H 0 0 0
- 3.4757 -5.2207 0.0000 H 0 0 0
- -6.3167 -0.8311 0.0000 H 0 0 0
- -5.2365 -0.3754 0.0000 H 0 0 0
- 6.0800 -4.4955 0.0000 H 0 0 0
- 5.1431 -3.5134 0.0000 H 0 0 0
- 4.2810 -6.0023 0.0000 H 0 0 0
- 5.2179 -6.9844 0.0000 H 0 0 0
- -8.2712 -1.8308 0.0000 H 0 0 0
- -7.2070 -1.3520 0.0000 H 0 0 0
- -6.5075 1.6613 0.0000 H 0 0 0
- -7.6874 2.3921 0.0000 H 0 0 0
- 6.5441 -7.3155 0.0000 H 0 0 0
- 7.7944 -6.5516 0.0000 H 0 0 0
- 7.0305 -5.3013 0.0000 H 0 0 0
- -10.0162 -1.3295 0.0000 H 0 0 0
- -8.7665 -2.0018 0.0000 H 0 0 0
- -8.1598 2.3074 0.0000 H 0 0 0
- -9.2851 1.8629 0.0000 H 0 0 0
- -10.1527 1.2297 0.0000 H 0 0 0
- -10.5039 -0.1176 0.0000 H 0 0 0
- 17.9747 3.2122 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 24 26 1 0
- 7 10 1 0
- 25 26 1 0
- 3 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 18 46 1 0
- 20 47 1 0
- 20 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 23 55 1 0
- 24 56 1 0
- 24 57 1 0
- 25 58 1 0
- 25 59 1 0
- 26 60 1 0
- 26 61 1 0
- 27 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-490-91-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.8985 0.0224 0.0032 C 0 0 0
- -0.2861 -1.3218 0.0014 C 0 0 0
- -0.1202 1.1133 0.0031 C 0 0 0
- -2.3985 0.1670 -0.0011 C 0 0 0
- 1.1842 -1.4635 -0.0006 C 0 0 0
- -0.9914 -2.3104 0.0019 O 0 0 0
- 1.3501 0.9715 0.0012 C 0 0 0
- -2.8403 0.9362 1.2455 C 0 0 0
- -2.8336 0.9315 -1.2529 C 0 0 0
- 1.9625 -0.3726 -0.0007 C 0 0 0
- 2.0555 1.9601 0.0006 O 0 0 0
- 3.4626 -0.5172 -0.0026 C 0 0 0
- -0.5582 2.0747 0.0000 H 0 0 0
- -2.9710 -0.7208 0.0000 H 0 0 0
- 1.6222 -2.4248 0.0000 H 0 0 0
- -1.9242 1.4624 0.0000 H 0 0 0
- -3.3665 1.8523 0.0000 H 0 0 0
- -3.7564 0.4100 0.0000 H 0 0 0
- -1.9155 1.4540 0.0000 H 0 0 0
- -3.3561 1.8496 0.0000 H 0 0 0
- -3.7517 0.4090 0.0000 H 0 0 0
- 3.3612 -1.5687 0.0000 H 0 0 0
- 4.5141 -0.6186 0.0000 H 0 0 0
- 3.5640 0.5343 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 7 11 2 0
- 10 12 1 0
- 7 10 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16452-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.7383 0.2212 0.0018 C 0 0 0
- -0.6998 -1.1660 0.0005 C 0 0 0
- 0.4429 0.9465 0.0017 C 0 0 0
- -1.9334 0.8681 -0.0024 O 0 0 0
- 0.5149 -1.8256 -0.0010 C 0 0 0
- -1.9841 -1.9544 0.0011 C 0 0 0
- 1.6618 0.2827 0.0003 C 0 0 0
- -1.6453 2.2678 0.0003 C 0 0 0
- 1.6941 -1.1067 -0.0011 C 0 0 0
- 2.8542 1.0099 -0.0003 N 0 0 0
- 0.4158 1.9870 0.0000 H 0 0 0
- 0.5409 -2.8661 0.0000 H 0 0 0
- -2.5286 -1.0673 0.0000 H 0 0 0
- -2.8712 -2.4989 0.0000 H 0 0 0
- -1.4396 -2.8415 0.0000 H 0 0 0
- -0.6258 2.0580 0.0000 H 0 0 0
- -1.4355 3.2873 0.0000 H 0 0 0
- -2.6648 2.4776 0.0000 H 0 0 0
- 2.6075 -1.6058 0.0000 H 0 0 0
- 3.7679 0.5113 0.0000 H 0 0 0
- 2.8292 2.0505 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 7 9 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-271-89-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.1758 0.7492 -0.0026 C 0 0 0
- 0.2390 -0.6543 -0.0005 C 0 0 0
- 1.5713 1.2043 -0.0014 C 0 0 0
- -1.0600 1.3942 -0.0001 C 0 0 0
- 1.5429 -0.9965 0.0017 O 0 0 0
- -0.9419 -1.3865 -0.0006 C 0 0 0
- 2.3255 0.0968 0.0011 C 0 0 0
- -2.2104 0.6551 0.0044 C 0 0 0
- -2.1547 -0.7312 -0.0027 C 0 0 0
- 1.9063 2.1859 0.0000 H 0 0 0
- -1.1067 2.4304 0.0000 H 0 0 0
- -0.9110 -2.4233 0.0000 H 0 0 0
- 3.3627 0.0847 0.0000 H 0 0 0
- -3.1305 1.1339 0.0000 H 0 0 0
- -3.0347 -1.2802 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 5 7 1 0
- 8 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3102-70-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.0002 -1.1038 -0.0014 C 0 0 0
- -1.2009 -0.4084 -0.0007 C 0 0 0
- 1.2010 -0.4083 -0.0010 C 0 0 0
- -0.0002 -2.6108 0.0037 C 0 0 0
- -1.1973 0.9815 0.0004 C 0 0 0
- -2.4118 -1.1044 -0.0015 N 0 0 0
- 1.1974 0.9812 0.0001 C 0 0 0
- 2.4118 -1.1044 -0.0012 N 0 0 0
- -0.0001 1.6706 0.0008 C 0 0 0
- -2.5009 1.7376 0.0006 C 0 0 0
- 2.5011 1.7372 0.0005 C 0 0 0
- -1.0426 -2.6108 0.0000 H 0 0 0
- -0.0002 -3.6532 0.0000 H 0 0 0
- 1.0422 -2.6108 0.0000 H 0 0 0
- -3.3136 -0.5814 0.0000 H 0 0 0
- -2.4138 -2.1468 0.0000 H 0 0 0
- 2.4137 -2.1468 0.0000 H 0 0 0
- 3.3136 -0.5815 0.0000 H 0 0 0
- -0.0001 2.7130 0.0000 H 0 0 0
- -1.9779 2.6393 0.0000 H 0 0 0
- -3.4026 2.2606 0.0000 H 0 0 0
- -3.0239 0.8359 0.0000 H 0 0 0
- 3.0240 0.8354 0.0000 H 0 0 0
- 3.4029 2.2601 0.0000 H 0 0 0
- 1.9782 2.6390 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 9 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4637-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.0583 -0.6537 0.0020 C 0 0 0
- -1.0798 0.1798 0.0015 C 0 0 0
- 1.3811 -0.0281 0.0007 C 0 0 0
- -0.0960 -2.0443 -0.0020 C 0 0 0
- -0.9198 1.5375 -0.0006 N 0 3 0
- -2.3484 -0.4001 0.0026 C 0 0 0
- 1.4398 1.3677 -0.0010 C 0 0 0
- 2.5268 -0.7879 0.0016 N 0 0 0
- -1.3509 -2.5811 -0.0064 C 0 0 0
- 0.2921 2.0999 -0.0018 C 0 0 0
- -2.0666 2.3681 -0.0011 O 0 5 0
- -2.4728 -1.7600 0.0043 C 0 0 0
- 3.7946 -0.1572 0.0003 O 0 0 0
- 0.7426 -2.6668 0.0000 H 0 0 0
- -3.2005 0.2039 0.0000 H 0 0 0
- 2.3660 1.8504 0.0000 H 0 0 0
- 2.4621 -1.8303 0.0000 H 0 0 0
- -1.4695 -3.6188 0.0000 H 0 0 0
- 0.3617 3.1420 0.0000 H 0 0 0
- -3.4248 -2.1896 0.0000 H 0 0 0
- 4.7297 0.3080 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 7 10 2 0
- 9 12 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-86-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.2008 0.0103 0.0033 C 0 0 0
- 0.5009 -1.1996 0.0029 C 0 0 0
- 0.5032 1.2185 0.0009 C 0 0 0
- -1.6725 0.0118 0.0001 C 0 0 0
- 1.8796 -1.1926 0.0002 C 0 0 0
- 1.8822 1.2088 -0.0018 C 0 0 0
- -2.4247 1.3177 0.0005 C 0 0 0
- -2.2798 -1.0377 -0.0029 O 0 0 0
- 2.5693 0.0076 -0.0022 C 0 0 0
- -0.0150 -2.1005 0.0000 H 0 0 0
- -0.0109 2.1204 0.0000 H 0 0 0
- 2.4019 -2.0899 0.0000 H 0 0 0
- 2.4063 2.1050 0.0000 H 0 0 0
- -1.5251 1.8359 0.0000 H 0 0 0
- -2.9429 2.2173 0.0000 H 0 0 0
- -3.3243 0.7995 0.0000 H 0 0 0
- 3.6075 0.0066 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3343-64-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -1.3484 -0.3262 0.1154 C 0 0 0
- -2.5211 0.4437 -0.4952 C 0 0 0
- -0.0312 0.3044 -0.3412 C 0 0 0
- -3.8184 -0.1774 -0.0456 C 0 0 0
- -2.4700 1.8441 -0.0544 N 0 0 0
- 1.3591 -0.6084 0.3828 S 0 0 0
- -4.3784 -1.1596 -0.7690 O 0 0 0
- -4.3543 0.2087 0.9661 O 0 0 0
- 2.7476 0.3319 -0.3090 C 0 0 0
- 4.0660 -0.2727 0.1781 C 0 0 0
- 5.2371 0.5204 -0.4053 C 0 0 0
- 6.5555 -0.0842 0.0818 C 0 0 0
- -2.0932 -1.1066 0.0000 H 0 0 0
- -0.7149 -1.1994 0.0000 H 0 0 0
- -1.5626 0.9387 0.0000 H 0 0 0
- 0.7136 1.0848 0.0000 H 0 0 0
- -0.6646 1.1776 0.0000 H 0 0 0
- -1.5167 2.3490 0.0000 H 0 0 0
- -3.3839 2.4172 0.0000 H 0 0 0
- -4.9127 -2.0967 0.0000 H 0 0 0
- 3.3672 1.2150 0.0000 H 0 0 0
- 1.9912 1.1010 0.0000 H 0 0 0
- 3.4464 -1.1558 0.0000 H 0 0 0
- 4.8224 -1.0418 0.0000 H 0 0 0
- 5.8567 1.4035 0.0000 H 0 0 0
- 4.4807 1.2895 0.0000 H 0 0 0
- 6.1058 -1.0647 0.0000 H 0 0 0
- 7.5360 -0.5339 0.0000 H 0 0 0
- 7.0052 0.8963 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 6 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-619-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.9638 -0.0218 0.0460 C 0 0 0
- -0.3454 -1.2578 0.0081 C 0 0 0
- -0.2074 1.1251 0.1966 C 0 0 0
- -2.4355 0.0736 -0.0809 N 0 3 0
- 1.0292 -1.3465 0.1208 C 0 0 0
- 1.1677 1.0364 0.3094 C 0 0 0
- -2.9803 1.1625 -0.0475 O 0 0 0
- -3.1017 -0.9367 -0.2186 O 0 5 0
- 1.7859 -0.1992 0.2714 C 0 0 0
- 3.2848 -0.2958 0.3938 C 0 0 0
- 3.8977 0.4301 -0.6736 O 0 0 0
- -0.9164 -2.1187 0.0000 H 0 0 0
- -0.6676 2.0500 0.0000 H 0 0 0
- 1.4894 -2.2714 0.0000 H 0 0 0
- 1.7387 1.8973 0.0000 H 0 0 0
- 3.0026 -1.2896 0.0000 H 0 0 0
- 4.1969 -0.7810 0.0000 H 0 0 0
- 4.5642 1.2195 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52-68-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.1140 -0.6332 0.7933 C 0 0 0
- -1.4596 -0.1009 0.0425 P 0 0 0
- 1.2824 -0.0835 -0.0275 C 0 0 0
- 0.1959 -0.1361 2.1306 O 0 0 0
- -2.6872 -0.7895 0.8241 O 0 0 0
- -1.5887 1.5006 0.1453 O 0 0 0
- -1.4900 -0.5079 -1.3801 O 0 0 0
- 2.8387 -0.6100 0.7151 Cl 0 0 0
- 1.1790 -0.7107 -1.7148 Cl 0 0 0
- 1.2061 1.7177 -0.0501 Cl 0 0 0
- -2.7764 -2.1345 0.3497 C 0 0 0
- -2.8548 1.8499 -0.4176 C 0 0 0
- 0.1714 -1.6425 0.0000 H 0 0 0
- 0.3602 0.8614 0.0000 H 0 0 0
- -3.7852 -2.0676 0.0000 H 0 0 0
- -2.8433 -3.1432 0.0000 H 0 0 0
- -1.7677 -2.2014 0.0000 H 0 0 0
- -2.5859 2.8245 0.0000 H 0 0 0
- -3.8294 2.1188 0.0000 H 0 0 0
- -3.1237 0.8753 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 1 13 1 0
- 4 14 1 0
- 11 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-41-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.1378 -0.0573 0.2971 N 0 0 0
- -1.1659 0.4217 -0.1815 C 0 0 0
- 1.1420 0.9010 -0.1836 C 0 0 0
- -2.2640 -0.5356 0.2861 C 0 0 0
- 2.5313 0.4603 0.2818 C 0 0 0
- -3.5676 -0.0565 -0.1924 N 0 0 0
- 2.8205 -0.8367 -0.2439 O 0 0 0
- 0.3498 -1.0772 0.0000 H 0 0 0
- -0.6489 1.3260 0.0000 H 0 0 0
- -1.9716 1.0820 0.0000 H 0 0 0
- 1.6178 1.8276 0.0000 H 0 0 0
- 0.3075 1.5244 0.0000 H 0 0 0
- -2.7810 -1.4399 0.0000 H 0 0 0
- -1.4584 -1.1959 0.0000 H 0 0 0
- 3.5720 0.5060 0.0000 H 0 0 0
- 2.6680 1.4929 0.0000 H 0 0 0
- -3.7453 0.9699 0.0000 H 0 0 0
- -4.3677 -0.7236 0.0000 H 0 0 0
- 3.0472 -1.8534 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58632-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 1.4084 0.6633 0.0071 C 0 0 0
- 0.2967 -0.0155 0.0257 N 0 0 0
- 1.3732 2.0949 0.0043 C 0 0 0
- 2.7095 -0.0460 -0.0051 C 0 0 0
- -0.7726 0.5675 0.0408 O 0 0 0
- 1.3454 3.2305 0.0021 N 0 0 0
- 3.9011 0.6779 -0.0251 C 0 0 0
- 2.7471 -1.4402 0.0092 C 0 0 0
- -1.9209 -0.1337 0.0601 C 0 0 0
- 5.1097 0.0117 -0.0359 C 0 0 0
- 3.9614 -2.0948 -0.0018 C 0 0 0
- -3.1022 0.5103 0.0767 O 0 0 0
- -1.8911 -1.3477 0.0624 O 0 0 0
- 5.1405 -1.3711 -0.0269 C 0 0 0
- -4.3400 -0.2404 -0.0351 C 0 0 0
- -4.4718 -1.1874 1.1594 C 0 0 0
- -5.5242 0.7281 -0.0511 C 0 0 0
- -4.3282 -1.0531 -1.3314 C 0 0 0
- 3.8793 1.7125 0.0000 H 0 0 0
- 1.8658 -1.9826 0.0000 H 0 0 0
- 5.9948 0.5479 0.0000 H 0 0 0
- 3.9904 -3.1292 0.0000 H 0 0 0
- 6.0491 -1.8663 0.0000 H 0 0 0
- -5.4968 -1.0448 0.0000 H 0 0 0
- -4.6144 -2.2124 0.0000 H 0 0 0
- -3.4468 -1.3300 0.0000 H 0 0 0
- -4.8691 1.5291 0.0000 H 0 0 0
- -6.3252 1.3832 0.0000 H 0 0 0
- -6.1793 -0.0729 0.0000 H 0 0 0
- -5.3629 -1.0681 0.0000 H 0 0 0
- -4.3132 -2.0878 0.0000 H 0 0 0
- -3.2935 -1.0381 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 3 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 7 1 0
- 11 8 2 0
- 12 9 1 0
- 13 9 2 0
- 14 10 2 0
- 15 12 1 0
- 16 15 1 0
- 17 15 1 0
- 18 15 1 0
- 11 14 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 14 23 1 0
- 16 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24903-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.2302 0.2368 -0.0028 C 0 0 0
- -2.5053 -0.4916 -0.0022 C 0 0 0
- -1.2455 1.6546 0.0010 C 0 0 0
- -0.0216 -0.4499 -0.0013 C 0 0 0
- -3.7152 0.2349 0.0023 C 0 0 0
- -2.5373 -1.8878 -0.0055 C 0 0 0
- -0.0445 2.3624 0.0008 C 0 0 0
- -2.5213 2.3664 0.0055 C 0 0 0
- 1.1760 0.2560 -0.0020 C 0 0 0
- -3.6897 1.6938 0.0057 C 0 0 0
- -4.9317 -0.4611 0.0030 C 0 0 0
- -3.7388 -2.5382 -0.0043 C 0 0 0
- 1.1685 1.6743 -0.0030 C 0 0 0
- 2.4626 -0.4485 0.0004 C 0 0 0
- -4.9316 -1.8259 -0.0007 C 0 0 0
- 2.4317 2.4083 -0.0033 C 0 0 0
- 3.6606 0.3012 0.0002 C 0 0 0
- 2.5390 -1.8416 0.0023 C 0 0 0
- 3.6133 1.7566 -0.0068 C 0 0 0
- 4.8777 -0.3968 0.0021 C 0 0 0
- 3.7132 -2.4362 0.0040 N 0 0 0
- 4.8517 -1.7621 0.0039 C 0 0 0
- -0.0133 -1.4968 0.0000 H 0 0 0
- -1.6441 -2.4339 0.0000 H 0 0 0
- -0.0532 3.4093 0.0000 H 0 0 0
- -2.5283 3.4133 0.0000 H 0 0 0
- -4.5914 2.2257 0.0000 H 0 0 0
- -5.8373 0.0641 0.0000 H 0 0 0
- -3.7609 -3.5849 0.0000 H 0 0 0
- -5.8421 -2.3427 0.0000 H 0 0 0
- 2.4200 3.4551 0.0000 H 0 0 0
- 1.6624 -2.4139 0.0000 H 0 0 0
- 4.5060 2.3035 0.0000 H 0 0 0
- 5.7885 0.1193 0.0000 H 0 0 0
- 5.7562 -2.2892 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2210-28-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.7642 -0.3782 -0.0013 C 0 0 0
- -2.0620 0.3112 -0.0005 C 0 0 0
- 0.3787 0.3366 -0.0002 O 0 0 0
- -0.7213 -1.5928 0.0021 O 0 0 0
- -2.1152 1.8172 0.0016 C 0 0 0
- -3.1903 -0.3945 -0.0016 C 0 0 0
- 1.6610 -0.3446 -0.0010 C 0 0 0
- 2.7880 0.6901 0.0005 C 0 0 0
- 4.1392 -0.0276 -0.0003 C 0 0 0
- -1.0203 1.8559 0.0000 H 0 0 0
- -2.1539 2.9121 0.0000 H 0 0 0
- -3.2101 1.7785 0.0000 H 0 0 0
- -4.1579 0.1194 0.0000 H 0 0 0
- -3.1516 -1.4894 0.0000 H 0 0 0
- 1.0410 -1.2478 0.0000 H 0 0 0
- 2.4884 -1.0627 0.0000 H 0 0 0
- 3.4080 1.5934 0.0000 H 0 0 0
- 1.9606 1.4082 0.0000 H 0 0 0
- 3.6253 -0.9952 0.0000 H 0 0 0
- 5.1068 -0.5415 0.0000 H 0 0 0
- 4.6531 0.9400 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7151-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.3247 -0.3850 0.3313 C 0 0 0
- -2.8043 -0.2956 0.2679 C 0 0 0
- -0.7666 0.5260 -0.5623 C 0 0 0
- -0.4862 -1.1895 1.1068 C 0 0 0
- -3.1712 0.6706 -0.6648 C 0 0 0
- -3.7974 -0.9917 0.9602 C 0 0 0
- -1.9031 1.2473 -1.2449 C 0 0 0
- 0.6014 0.6310 -0.6854 C 0 0 0
- 0.8815 -1.0833 0.9809 C 0 0 0
- -4.5032 0.9366 -0.9025 C 0 0 0
- -5.1270 -0.7184 0.7164 C 0 0 0
- 1.4321 -0.1746 0.0846 C 0 0 0
- -5.4819 0.2425 -0.2136 C 0 0 0
- 2.8208 -0.0689 -0.0401 N 0 0 0
- 3.4921 0.8606 0.6683 C 0 0 0
- 3.6673 -1.1188 -1.0914 Cl 0 0 0
- 4.9652 1.0711 0.4297 C 0 0 0
- 2.9108 1.5276 1.4979 O 0 0 0
- -0.8095 -2.0930 0.0000 H 0 0 0
- -3.6027 -1.9313 0.0000 H 0 0 0
- -1.2432 1.9439 0.0000 H 0 0 0
- -2.4604 2.0285 0.0000 H 0 0 0
- 0.9275 1.5335 0.0000 H 0 0 0
- 1.3845 -1.9005 0.0000 H 0 0 0
- -4.7031 1.8751 0.0000 H 0 0 0
- -5.7524 -1.4462 0.0000 H 0 0 0
- -6.3986 0.5261 0.0000 H 0 0 0
- 5.1009 0.1212 0.0000 H 0 0 0
- 5.9151 1.2068 0.0000 H 0 0 0
- 4.8295 2.0210 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 13 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-789-07-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -0.2845 0.0694 -0.0012 C 0 0 0
- -1.7569 0.0687 -0.0012 C 0 0 0
- 0.3769 1.2023 0.0000 C 0 0 0
- 0.4187 -1.2261 0.0037 C 0 0 0
- -2.4194 1.2010 0.0004 C 0 0 0
- -2.4590 -1.2274 -0.0025 C 0 0 0
- 1.8495 1.1795 0.0000 C 0 0 0
- -0.3622 2.4762 0.0006 C 0 0 0
- 1.7338 -1.2433 0.0039 C 0 0 0
- -0.3635 -2.4713 0.0077 C 0 0 0
- -1.6814 2.4756 0.0025 C 0 0 0
- -3.8919 1.1768 0.0006 C 0 0 0
- -1.6756 -2.4719 -0.0044 C 0 0 0
- -3.7740 -1.2459 -0.0024 C 0 0 0
- 2.4845 0.0252 -0.0010 C 0 0 0
- -4.5259 0.0219 -0.0010 C 0 0 0
- 3.8393 0.0039 -0.0014 N 0 3 0
- 4.4317 -1.0604 -0.0024 O 0 0 0
- 4.4648 1.0490 -0.0007 O 0 5 0
- 2.3958 2.0874 0.0000 H 0 0 0
- 0.1664 3.3945 0.0000 H 0 0 0
- 2.2526 -2.1671 0.0000 H 0 0 0
- 0.1493 -3.3985 0.0000 H 0 0 0
- -2.2108 3.3934 0.0000 H 0 0 0
- -4.4390 2.0842 0.0000 H 0 0 0
- -2.1875 -3.3996 0.0000 H 0 0 0
- -4.2919 -2.1702 0.0000 H 0 0 0
- -5.5853 0.0043 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 12 16 2 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 16 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-161696-99-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.6937 0.8102 -0.0043 C 0 0 0
- -0.3278 -0.5603 -0.0024 C 0 0 0
- 0.3102 1.7958 -0.0038 C 0 0 0
- -1.9877 1.1467 -0.0010 N 0 0 0
- 1.0316 -0.9108 0.0000 C 0 0 0
- -1.2818 -1.4987 -0.0024 N 0 0 0
- 1.6187 1.4312 -0.0014 C 0 0 0
- -2.9057 0.2071 0.0039 C 0 0 0
- 1.9890 0.0796 0.0005 C 0 0 0
- 1.4409 -2.3612 0.0016 C 0 0 0
- -2.5462 -1.1417 -0.0043 C 0 0 0
- -4.3634 0.5896 0.0076 C 0 0 0
- 3.3400 -0.2661 0.0028 N 0 0 0
- 4.3642 0.7814 0.0033 C 0 0 0
- 0.0489 2.8096 0.0000 H 0 0 0
- 2.3606 2.1699 0.0000 H 0 0 0
- 0.4333 -2.6455 0.0000 H 0 0 0
- 1.7252 -3.3688 0.0000 H 0 0 0
- 2.4485 -2.0769 0.0000 H 0 0 0
- -3.2919 -1.8765 0.0000 H 0 0 0
- -4.0977 1.6022 0.0000 H 0 0 0
- -5.3760 0.8553 0.0000 H 0 0 0
- -4.6291 -0.4230 0.0000 H 0 0 0
- 3.6223 -1.2742 0.0000 H 0 0 0
- 5.1128 0.0495 0.0000 H 0 0 0
- 5.0961 1.5300 0.0000 H 0 0 0
- 3.6156 1.5133 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 7 9 1 0
- 8 11 1 0
- 3 15 1 0
- 7 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1147-55-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.5388 -0.1423 -0.1858 C 0 0 0
- -2.0128 -0.1019 -0.0267 C 0 0 0
- -0.0313 1.1538 -0.1322 C 0 0 0
- 0.3367 -1.2169 -0.3618 C 0 0 0
- -2.4276 1.2174 0.1262 C 0 0 0
- -2.9668 -1.1279 -0.0111 C 0 0 0
- -1.1978 2.0901 0.0684 C 0 0 0
- 1.3224 1.3767 -0.2564 C 0 0 0
- 1.6898 -0.9908 -0.4874 C 0 0 0
- -3.7649 1.5115 0.2922 C 0 0 0
- -4.3063 -0.8204 0.1554 C 0 0 0
- -2.5783 -2.4213 -0.1595 O 0 0 0
- 2.1894 0.3052 -0.4362 C 0 0 0
- -4.7037 0.4949 0.3078 C 0 0 0
- 3.5639 0.5308 -0.5624 N 0 0 0
- 4.4292 -0.1096 0.2485 C 0 0 0
- 5.9133 0.0293 0.0269 C 0 0 0
- 4.0134 -0.7977 1.1567 O 0 0 0
- -0.0296 -2.1876 0.0000 H 0 0 0
- -0.4764 2.8358 0.0000 H 0 0 0
- -1.8738 2.8772 0.0000 H 0 0 0
- 1.6914 2.3464 0.0000 H 0 0 0
- 2.3456 -1.7948 0.0000 H 0 0 0
- -4.0758 2.5013 0.0000 H 0 0 0
- -5.0147 -1.5785 0.0000 H 0 0 0
- -2.2798 -3.4150 0.0000 H 0 0 0
- -5.7148 0.7275 0.0000 H 0 0 0
- 3.8077 1.5393 0.0000 H 0 0 0
- 6.0100 -1.0037 0.0000 H 0 0 0
- 6.9463 0.1260 0.0000 H 0 0 0
- 5.8166 1.0623 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2466-76-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0071 0.0066 -0.0012 N 0 0 0
- -1.3546 -0.0164 -0.0004 C 0 0 0
- 0.7933 1.1256 -0.0001 C 0 0 0
- 0.8240 -1.0752 0.0027 C 0 0 0
- -2.0857 -1.3342 -0.0017 C 0 0 0
- -1.9765 1.0194 0.0015 O 0 0 0
- 2.0661 0.6928 -0.0015 C 0 0 0
- 2.0558 -0.6501 0.0003 N 0 0 0
- 0.4843 2.0867 0.0000 H 0 0 0
- 0.5337 -2.0421 0.0000 H 0 0 0
- -2.9685 -0.8444 0.0000 H 0 0 0
- -2.5755 -2.2170 0.0000 H 0 0 0
- -1.2029 -1.8240 0.0000 H 0 0 0
- 2.8891 1.2775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 2 0
- 7 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-138835-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- 0.5689 -0.5761 -0.0072 C 0 0 0
- -0.8204 -0.7779 -0.0175 C 0 0 0
- 1.0873 0.7335 0.0157 C 0 0 0
- 1.4803 -1.7201 -0.0140 C 0 0 0
- -1.6837 0.3420 -0.0047 C 0 0 0
- -1.3432 -2.0900 -0.0395 C 0 0 0
- 2.5426 0.8701 0.0254 C 0 0 0
- 0.2121 1.8307 0.0286 C 0 0 0
- 2.7881 -1.5226 -0.0038 N 0 0 0
- 0.9058 -3.0654 -0.0317 C 0 0 0
- -3.0672 0.1268 -0.0153 C 0 0 0
- -1.1337 1.6433 0.0177 C 0 0 0
- -0.4355 -3.2336 -0.0518 C 0 0 0
- -2.7294 -2.2607 -0.0493 C 0 0 0
- 3.3386 -0.3040 0.0114 C 0 0 0
- 3.1544 2.1270 0.0474 C 0 0 0
- -3.5660 -1.1593 -0.0377 C 0 0 0
- -3.9953 1.2801 -0.0018 N 0 3 0
- 4.7410 -0.1675 0.0208 C 0 0 0
- 4.5152 2.2184 0.0555 C 0 0 0
- -4.9447 1.2888 0.7611 O 0 0 0
- -3.8095 2.2201 -0.7536 O 0 5 0
- 5.3037 1.0709 0.0428 C 0 0 0
- 0.6012 2.8061 0.0000 H 0 0 0
- 1.5379 -3.9039 0.0000 H 0 0 0
- -1.7731 2.4763 0.0000 H 0 0 0
- -0.8324 -4.2058 0.0000 H 0 0 0
- -3.1377 -3.2282 0.0000 H 0 0 0
- 2.5680 2.9981 0.0000 H 0 0 0
- -4.6059 -1.3056 0.0000 H 0 0 0
- 5.3517 -1.0217 0.0000 H 0 0 0
- 4.9728 3.1636 0.0000 H 0 0 0
- 6.3498 1.1630 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 12 2 0
- 9 15 2 0
- 10 13 2 0
- 14 17 2 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 23 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59-00-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.7745 0.5013 -0.0026 C 0 0 0
- -1.1400 -0.8686 -0.0012 C 0 0 0
- 0.5109 0.8502 -0.0021 N 0 0 0
- -1.7928 1.4813 0.0015 C 0 0 0
- -0.1241 -1.8509 0.0007 C 0 0 0
- -2.4964 -1.2252 -0.0022 C 0 0 0
- 1.4734 -0.0537 -0.0004 C 0 0 0
- -3.1022 1.0941 0.0066 C 0 0 0
- -1.4708 2.8006 0.0008 O 0 0 0
- 1.1909 -1.4252 0.0011 C 0 0 0
- -0.4304 -3.1721 0.0016 O 0 0 0
- -3.4516 -0.2536 -0.0045 C 0 0 0
- 2.8856 0.3937 0.0000 C 0 0 0
- 3.1753 1.7089 -0.0013 O 0 0 0
- 3.7819 -0.4254 0.0016 O 0 0 0
- -2.7697 -2.2187 0.0000 H 0 0 0
- -3.8430 1.8102 0.0000 H 0 0 0
- -1.2265 3.8016 0.0000 H 0 0 0
- 1.9584 -2.1126 0.0000 H 0 0 0
- -0.6631 -4.1758 0.0000 H 0 0 0
- -4.4469 -0.5201 0.0000 H 0 0 0
- 3.3969 2.7151 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 10 2 0
- 8 12 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-557-30-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.6658 -0.3104 0.0000 C 0 0 0
- -0.6658 0.3104 0.0000 C 0 0 0
- 1.7266 0.4325 0.0000 N 0 0 0
- -1.7266 -0.4325 0.0000 N 0 0 0
- 3.0100 -0.1658 0.0000 O 0 0 0
- -3.0100 0.1658 0.0000 O 0 0 0
- 0.7584 -1.3684 0.0000 H 0 0 0
- -0.7584 1.3684 0.0000 H 0 0 0
- 3.9725 -0.6145 0.0000 H 0 0 0
- -3.9725 0.6145 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 2 8 1 0
- 5 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-61-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.4601 0.6112 0.0000 C 0 0 0
- -0.4601 -0.6112 0.0000 C 0 0 0
- 1.8639 0.1685 0.0000 C 0 0 0
- -1.8639 -0.1685 0.0000 C 0 0 0
- 2.9474 -0.1731 0.0000 N 0 0 0
- -2.9474 0.1731 0.0000 N 0 0 0
- 0.9090 1.6198 0.0000 H 0 0 0
- -0.4913 1.1712 0.0000 H 0 0 0
- -0.9090 -1.6198 0.0000 H 0 0 0
- 0.4913 -1.1712 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 3 0
- 4 6 3 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 0.4498 -0.3378 -0.2382 C 0 0 0
- -0.6133 -1.4065 -0.3641 C 0 0 0
- 0.0651 1.0949 -0.5342 C 0 0 0
- 1.6427 -0.6373 0.1149 N 0 0 0
- -1.8409 -0.9698 0.4422 C 0 0 0
- -1.1871 1.4408 0.2782 C 0 0 0
- 2.6237 0.3776 0.2272 O 0 0 0
- -2.2852 0.4188 -0.0206 C 0 0 0
- -1.1186 -2.3566 0.0000 H 0 0 0
- 0.2525 -2.0455 0.0000 H 0 0 0
- 1.1373 1.1863 0.0000 H 0 0 0
- 0.1642 2.1664 0.0000 H 0 0 0
- -2.9123 -1.0692 0.0000 H 0 0 0
- -1.9747 -2.0375 0.0000 H 0 0 0
- -0.7157 2.4081 0.0000 H 0 0 0
- -2.0519 2.0811 0.0000 H 0 0 0
- 3.3716 1.1513 0.0000 H 0 0 0
- -2.8954 1.3051 0.0000 H 0 0 0
- -3.2512 -0.0553 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75888-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.9980 -0.0606 -0.0228 C 0 0 0
- -2.1433 0.6599 -0.0516 O 0 0 0
- 0.2887 0.4367 -0.0673 C 0 0 0
- -1.3903 -1.4809 0.0720 C 0 0 0
- -3.1907 -0.1668 0.0103 C 0 0 0
- 1.3321 -0.4016 -0.0303 N 0 0 0
- -2.7532 -1.4913 0.0922 C 0 0 0
- -4.6137 0.2604 0.0023 N 0 3 0
- 2.5347 0.0633 -0.0719 N 0 0 0
- -5.5000 -0.5729 0.0626 O 0 0 0
- -4.9394 1.6362 -0.0755 O 0 5 0
- 3.5701 -0.7887 -0.0341 C 0 0 0
- 2.7417 1.5093 -0.1656 C 0 0 0
- 4.8464 -0.3769 -0.0622 N 0 0 0
- 3.3430 -1.9803 0.0286 O 0 0 0
- 4.0727 1.8710 0.5021 C 0 0 0
- 5.1861 1.0443 -0.1497 C 0 0 0
- 0.4464 1.4529 0.0000 H 0 0 0
- -0.7643 -2.2967 0.0000 H 0 0 0
- -3.3524 -2.3270 0.0000 H 0 0 0
- 2.6089 2.5290 0.0000 H 0 0 0
- 1.7134 1.5158 0.0000 H 0 0 0
- 5.6012 -1.0753 0.0000 H 0 0 0
- 4.8526 2.5412 0.0000 H 0 0 0
- 3.5909 2.7795 0.0000 H 0 0 0
- 6.1451 0.6731 0.0000 H 0 0 0
- 5.6827 1.9448 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 5 7 2 0
- 16 17 1 0
- 3 18 1 0
- 4 19 1 0
- 7 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 16 25 1 0
- 17 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2429-71-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 81 1 V2000
- 9.7331 -1.9106 0.6015 S 0 0 0
- 10.5290 -1.5442 1.7202 O 0 0 0
- 10.2153 -2.5278 -0.5842 O 0 0 0
- 8.6594 -2.8423 1.1453 O 0 0 0
- 8.9314 -0.4311 0.0791 C 0 0 0
- 9.6990 0.6736 -0.3370 C 0 0 0
- 7.5767 -0.3619 0.0739 C 0 0 0
- 9.0510 1.8624 -0.7567 C 0 0 0
- 11.1023 0.6180 -0.3431 C 0 0 0
- 6.9142 0.8093 -0.3392 C 0 0 0
- 7.6441 1.9232 -0.7529 C 0 0 0
- 9.8235 2.9606 -1.1700 C 0 0 0
- 11.8195 1.7019 -0.7502 C 0 0 0
- 5.5521 0.8545 -0.3358 N 0 0 0
- 7.0060 3.0515 -1.1508 O 0 0 0
- 11.1822 2.8700 -1.1626 C 0 0 0
- 4.8735 -0.1742 0.0455 N 0 0 0
- 3.5108 -0.1289 0.0490 C 0 0 0
- 2.7707 -1.2479 0.4637 C 0 0 0
- 2.8470 1.0345 -0.3552 C 0 0 0
- 3.4090 -2.3779 0.8628 O 0 0 0
- 1.3892 -1.1938 0.4642 C 0 0 0
- 1.4827 1.0816 -0.3523 C 0 0 0
- 2.3959 -3.3210 1.2179 C 0 0 0
- 0.7400 -0.0299 0.0535 C 0 0 0
- -0.7400 0.0301 0.0534 C 0 0 0
- -1.3893 1.1940 0.4639 C 0 0 0
- -1.4825 -1.0775 -0.3635 C 0 0 0
- -2.7708 1.2481 0.4631 C 0 0 0
- -2.8468 -1.0303 -0.3666 C 0 0 0
- -3.4092 2.3784 0.8612 O 0 0 0
- -3.5109 0.1291 0.0483 C 0 0 0
- -2.3962 3.3217 1.2162 C 0 0 0
- -4.8736 0.1744 0.0446 N 0 0 0
- -5.5521 -0.8544 -0.3367 N 0 0 0
- -6.9141 -0.8091 -0.3404 C 0 0 0
- -7.6438 -1.9232 -0.7533 C 0 0 0
- -7.5770 0.3605 0.0782 C 0 0 0
- -7.0055 -3.0515 -1.1507 O 0 0 0
- -9.0511 -1.8641 -0.7527 C 0 0 0
- -8.9313 0.4295 0.0833 C 0 0 0
- -9.6990 -0.6756 -0.3332 C 0 0 0
- -9.8237 -2.9638 -1.1615 C 0 0 0
- -9.7333 1.9062 0.6130 S 0 0 0
- -11.1023 -0.6213 -0.3348 C 0 0 0
- -11.1825 -2.8748 -1.1499 C 0 0 0
- -10.4866 2.3584 -0.5039 O 0 0 0
- -10.2626 1.6179 1.8998 O 0 0 0
- -8.6536 2.9556 0.8356 O 0 0 0
- -11.8197 -1.7067 -0.7376 C 0 0 0
- 7.8974 -3.5035 0.0000 H 0 0 0
- 7.0463 -1.2202 0.0000 H 0 0 0
- 11.5622 -0.2800 0.0000 H 0 0 0
- 9.3887 3.8710 0.0000 H 0 0 0
- 12.8275 1.6590 0.0000 H 0 0 0
- 6.5093 3.9297 0.0000 H 0 0 0
- 11.7258 3.7200 0.0000 H 0 0 0
- 3.3687 1.8981 0.0000 H 0 0 0
- 0.8614 -2.0536 0.0000 H 0 0 0
- 1.0225 1.9794 0.0000 H 0 0 0
- 1.7085 -2.5825 0.0000 H 0 0 0
- 1.6574 -4.0084 0.0000 H 0 0 0
- 3.0833 -4.0595 0.0000 H 0 0 0
- -0.8615 2.0538 0.0000 H 0 0 0
- -1.0230 -1.9757 0.0000 H 0 0 0
- -3.3678 -1.8943 0.0000 H 0 0 0
- -1.7087 2.5833 0.0000 H 0 0 0
- -1.6578 4.0092 0.0000 H 0 0 0
- -3.0837 4.0601 0.0000 H 0 0 0
- -7.0471 1.2190 0.0000 H 0 0 0
- -6.5087 -3.9296 0.0000 H 0 0 0
- -9.3881 -3.8738 0.0000 H 0 0 0
- -11.5628 0.2764 0.0000 H 0 0 0
- -11.7256 -3.7251 0.0000 H 0 0 0
- -7.9301 3.6588 0.0000 H 0 0 0
- -12.8277 -1.6640 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 1 0
- 15 11 1 0
- 16 12 2 0
- 17 14 2 0
- 18 17 1 0
- 19 18 2 0
- 20 18 1 0
- 21 19 1 0
- 22 19 1 0
- 23 20 2 0
- 24 21 1 0
- 25 22 2 0
- 26 25 1 0
- 27 26 2 0
- 28 26 1 0
- 29 27 1 0
- 30 28 2 0
- 31 29 1 0
- 32 29 2 0
- 33 31 1 0
- 34 32 1 0
- 35 34 2 0
- 36 35 1 0
- 37 36 2 0
- 38 36 1 0
- 39 37 1 0
- 40 37 1 0
- 41 38 2 0
- 42 40 2 0
- 43 40 1 0
- 44 41 1 0
- 45 42 1 0
- 46 43 2 0
- 47 44 2 0
- 48 44 2 0
- 49 44 1 0
- 50 45 2 0
- 10 11 1 0
- 13 16 1 0
- 23 25 1 0
- 30 32 1 0
- 41 42 1 0
- 46 50 1 0
- 4 51 1 0
- 7 52 1 0
- 9 53 1 0
- 12 54 1 0
- 13 55 1 0
- 15 56 1 0
- 16 57 1 0
- 20 58 1 0
- 22 59 1 0
- 23 60 1 0
- 24 61 1 0
- 24 62 1 0
- 24 63 1 0
- 27 64 1 0
- 28 65 1 0
- 30 66 1 0
- 33 67 1 0
- 33 68 1 0
- 33 69 1 0
- 38 70 1 0
- 39 71 1 0
- 43 72 1 0
- 45 73 1 0
- 46 74 1 0
- 49 75 1 0
- 50 76 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-127072-58-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 2.8214 -0.3079 -0.2886 C 0 0 0
- 1.5945 0.2790 0.0956 C 0 0 0
- 3.9831 0.2936 0.0272 C 0 0 0
- 0.4204 -0.3290 -0.2236 C 0 0 0
- 5.1573 -0.2680 -0.3405 O 0 0 0
- -0.8002 0.2549 0.1586 C 0 0 0
- 6.1938 0.5945 0.1325 C 0 0 0
- -1.9770 -0.3545 -0.1613 C 0 0 0
- 7.5559 0.0137 -0.2524 C 0 0 0
- -3.1965 0.2288 0.2205 C 0 0 0
- 8.6656 0.9372 0.2541 C 0 0 0
- 7.7062 -1.2793 0.3372 O 0 0 0
- -4.3728 -0.3803 -0.0992 C 0 0 0
- 9.9378 0.3948 -0.1054 O 0 0 0
- -5.5946 0.2042 0.2834 C 0 0 0
- -6.7667 -0.4027 -0.0352 C 0 0 0
- -7.9980 0.1862 0.3503 C 0 0 0
- -9.1513 -0.4110 0.0368 C 0 0 0
- -10.4595 0.2149 0.4465 C 0 0 0
- -11.2944 0.5137 -0.8004 C 0 0 0
- 2.8374 -1.3191 0.0000 H 0 0 0
- 1.5785 1.2902 0.0000 H 0 0 0
- 3.9671 1.3048 0.0000 H 0 0 0
- 0.4364 -1.3402 0.0000 H 0 0 0
- -0.8162 1.2661 0.0000 H 0 0 0
- 6.7318 1.4508 0.0000 H 0 0 0
- 5.4327 1.2605 0.0000 H 0 0 0
- -1.9610 -1.3657 0.0000 H 0 0 0
- 8.4949 -0.3619 0.0000 H 0 0 0
- -3.2125 1.2400 0.0000 H 0 0 0
- 9.2036 1.7936 0.0000 H 0 0 0
- 7.9045 1.6031 0.0000 H 0 0 0
- 7.8230 -2.2839 0.0000 H 0 0 0
- -4.3568 -1.3915 0.0000 H 0 0 0
- 10.8681 -0.0018 0.0000 H 0 0 0
- -5.6106 1.2154 0.0000 H 0 0 0
- -6.7507 -1.4139 0.0000 H 0 0 0
- -8.0140 1.1974 0.0000 H 0 0 0
- -9.1353 -1.4222 0.0000 H 0 0 0
- -9.6454 0.8149 0.0000 H 0 0 0
- -10.6064 1.2155 0.0000 H 0 0 0
- -10.9536 1.4659 0.0000 H 0 0 0
- -12.2466 0.8545 0.0000 H 0 0 0
- -11.6352 -0.4385 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 18 19 1 0
- 19 20 1 0
- 1 21 1 0
- 2 22 1 0
- 3 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-57-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.7438 -0.0001 -0.0746 S 0 0 0
- -0.0178 0.0000 -0.0375 C 0 0 0
- 2.2294 0.0029 1.3678 O 0 0 0
- 2.1187 -1.2638 -0.6055 O 0 0 0
- 2.1188 1.2612 -0.6109 O 0 0 0
- -0.7073 1.1983 -0.0255 C 0 0 0
- -0.7077 -1.1987 -0.0261 C 0 0 0
- -2.0883 1.2020 0.0036 C 0 0 0
- -2.0882 -1.2022 0.0030 C 0 0 0
- -2.7842 0.0002 0.0208 C 0 0 0
- -4.1806 0.0003 0.0507 N 0 0 0
- 3.2663 0.0093 0.0000 H 0 0 0
- -0.1870 2.0952 0.0000 H 0 0 0
- -0.1875 -2.0957 0.0000 H 0 0 0
- -2.6050 2.1010 0.0000 H 0 0 0
- -2.6050 -2.1011 0.0000 H 0 0 0
- -4.6990 0.8983 0.0000 H 0 0 0
- -4.6991 -0.8976 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 9 10 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-16400-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.2375 0.2983 0.0030 C 0 0 0
- 1.2477 -0.8200 0.0037 C 0 0 0
- 0.6407 1.5460 -0.0006 C 0 0 0
- -1.6115 -0.0978 -0.0004 Br 0 0 0
- 2.9120 -0.1265 -0.0011 Cl 0 0 0
- 0.2385 -1.5426 0.0000 H 0 0 0
- 1.8516 -1.9045 0.0000 H 0 0 0
- 1.8544 1.8060 0.0000 H 0 0 0
- -0.1913 2.4671 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42471-28-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -2.5600 -0.6739 -0.2123 C 0 0 0
- -3.3685 -0.3866 0.8892 C 0 0 0
- -1.1944 -1.2845 -0.0297 C 0 0 0
- -3.0455 -0.3898 -1.4737 C 0 0 0
- -4.5671 0.1521 0.6846 N 0 0 0
- -2.9293 -0.6587 2.1747 N 0 0 0
- -0.1976 -0.2195 0.1069 N 0 0 0
- -4.2534 0.1420 -1.5970 N 0 0 0
- -4.9880 0.4117 -0.5365 C 0 0 0
- 1.1020 -0.5312 0.2812 C 0 0 0
- -6.3526 1.0223 -0.7267 C 0 0 0
- 2.0189 0.4486 0.4068 N 0 0 0
- 1.4469 -1.6952 0.3250 O 0 0 0
- 3.4316 0.1098 0.5963 C 0 0 0
- 1.6527 1.6846 0.3602 N 0 0 0
- 4.1158 -0.0050 -0.7673 C 0 0 0
- 2.4814 2.5700 0.4738 O 0 0 0
- 5.8544 -0.4219 -0.5342 Cl 0 0 0
- -1.6888 -2.1262 0.0000 H 0 0 0
- -0.4124 -1.8688 0.0000 H 0 0 0
- -2.6016 0.4796 0.0000 H 0 0 0
- -2.9596 -1.6344 0.0000 H 0 0 0
- -2.0691 -0.1971 0.0000 H 0 0 0
- -0.4782 0.7155 0.0000 H 0 0 0
- -5.9539 1.9134 0.0000 H 0 0 0
- -7.2437 1.4210 0.0000 H 0 0 0
- -6.7513 0.1312 0.0000 H 0 0 0
- 2.7763 -0.6138 0.0000 H 0 0 0
- 3.7519 -0.8124 0.0000 H 0 0 0
- 4.7711 0.7186 0.0000 H 0 0 0
- 3.7955 0.9172 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 1 0
- 8 9 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-372-48-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.7834 -0.0314 0.0022 C 0 0 0
- -0.0836 -1.2273 0.0013 C 0 0 0
- -0.1440 1.1237 0.0013 N 0 0 0
- -2.1343 -0.0475 -0.0018 F 0 0 0
- 1.3011 -1.1984 -0.0005 C 0 0 0
- 1.1739 1.1864 -0.0004 C 0 0 0
- 1.9365 0.0350 -0.0014 C 0 0 0
- -0.5895 -2.1312 0.0000 H 0 0 0
- 1.8495 -2.0771 0.0000 H 0 0 0
- 1.6422 2.1103 0.0000 H 0 0 0
- 2.9707 0.0916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3671-71-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 2.1557 0.1687 -0.5171 C 0 0 0
- 3.5835 0.5007 -0.2879 C 0 0 0
- 1.7664 -0.8372 0.3648 C 0 0 0
- 1.2258 0.6900 -1.4194 C 0 0 0
- 4.0867 -0.2970 0.7366 C 0 0 0
- 4.4222 1.4278 -0.9091 C 0 0 0
- 2.9662 -1.1903 1.2095 C 0 0 0
- 0.4764 -1.3184 0.3453 C 0 0 0
- -0.0643 0.2062 -1.4375 C 0 0 0
- 5.4011 -0.1717 1.1328 C 0 0 0
- 5.7362 1.5463 -0.5058 C 0 0 0
- -0.4453 -0.8001 -0.5579 C 0 0 0
- 6.2271 0.7493 0.5123 C 0 0 0
- -1.7545 -1.2883 -0.5787 N 0 0 0
- -2.5834 -1.0382 0.4542 C 0 0 0
- -2.2103 -2.0456 -1.6849 O 0 0 0
- -3.5353 0.0903 0.3815 C 0 0 0
- -2.5482 -1.7407 1.4457 O 0 0 0
- -3.5495 1.0613 1.3846 C 0 0 0
- -4.4198 0.1930 -0.6932 C 0 0 0
- -4.4400 2.1120 1.3104 C 0 0 0
- -5.3055 1.2492 -0.7552 C 0 0 0
- -5.3179 2.2051 0.2448 C 0 0 0
- 1.2918 1.5559 0.0000 H 0 0 0
- 4.0346 2.2049 0.0000 H 0 0 0
- 2.5575 -1.9565 0.0000 H 0 0 0
- 3.6338 -1.7457 0.0000 H 0 0 0
- 0.4091 -2.1842 0.0000 H 0 0 0
- -0.6774 0.8212 0.0000 H 0 0 0
- 5.7924 -0.9470 0.0000 H 0 0 0
- 6.1251 2.3227 0.0000 H 0 0 0
- 7.0920 0.6717 0.0000 H 0 0 0
- -2.6581 -2.7896 0.0000 H 0 0 0
- -2.7364 1.3663 0.0000 H 0 0 0
- -4.8318 -0.5715 0.0000 H 0 0 0
- -4.0338 2.8796 0.0000 H 0 0 0
- -6.1196 0.9470 0.0000 H 0 0 0
- -5.9029 2.8469 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 17 19 1 0
- 17 20 2 0
- 19 21 2 0
- 20 22 1 0
- 21 23 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 2 0
- 22 23 2 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 13 32 1 0
- 16 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-01-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- 0.2008 -0.2858 -0.0018 C 0 0 0
- -0.8376 -1.1957 -0.0008 C 0 0 0
- -0.3369 0.9528 -0.0008 O 0 0 0
- 1.5796 -0.5954 0.0015 C 0 0 0
- -2.0226 -0.4479 0.0010 C 0 0 0
- -1.6719 0.8587 0.0009 C 0 0 0
- 2.4024 0.2978 0.0001 O 0 0 0
- -0.7582 -2.2072 0.0000 H 0 0 0
- 1.8821 -1.5639 0.0000 H 0 0 0
- -2.9675 -0.8175 0.0000 H 0 0 0
- -2.3173 1.6416 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 6 2 0
- 2 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5836-29-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 1.0359 -0.7300 0.2481 C 0 0 0
- -0.4624 -0.6771 0.0956 C 0 0 0
- 1.6873 0.1528 -0.8145 C 0 0 0
- 1.4283 -0.1937 1.6298 C 0 0 0
- -1.1164 0.5093 0.1991 C 0 0 0
- -1.1893 -1.8578 -0.1607 C 0 0 0
- 3.1614 0.3061 -0.5451 C 0 0 0
- 2.9144 -0.4697 1.8493 C 0 0 0
- -2.5716 0.5124 0.0435 C 0 0 0
- -2.5239 -1.8472 -0.3024 O 0 0 0
- -0.5908 -2.9142 -0.2562 O 0 0 0
- 3.7236 0.0273 0.6801 C 0 0 0
- 3.9668 0.7483 -1.5870 C 0 0 0
- -3.2342 -0.7027 -0.2054 C 0 0 0
- -3.3076 1.7040 0.1394 C 0 0 0
- 5.0899 0.1974 0.8648 C 0 0 0
- 5.3236 0.9139 -1.4024 C 0 0 0
- -4.6140 -0.7100 -0.3545 C 0 0 0
- -4.6820 1.6689 -0.0127 C 0 0 0
- -2.6758 2.8807 0.3798 O 0 0 0
- 5.8876 0.6382 -0.1705 C 0 0 0
- -5.3271 0.4679 -0.2586 C 0 0 0
- 1.4805 -1.6507 0.0000 H 0 0 0
- 1.8328 1.1649 0.0000 H 0 0 0
- 0.7413 0.5408 0.0000 H 0 0 0
- 1.7625 0.7726 0.0000 H 0 0 0
- 0.5225 0.2806 0.0000 H 0 0 0
- -0.5955 1.3891 0.0000 H 0 0 0
- 2.4583 -1.3848 0.0000 H 0 0 0
- 3.6686 -1.1601 0.0000 H 0 0 0
- 3.6532 1.7215 0.0000 H 0 0 0
- 5.4060 -0.7750 0.0000 H 0 0 0
- 5.4932 1.9222 0.0000 H 0 0 0
- -5.1136 -1.6021 0.0000 H 0 0 0
- -5.2179 2.5397 0.0000 H 0 0 0
- -2.1921 3.7815 0.0000 H 0 0 0
- 6.9097 0.6638 0.0000 H 0 0 0
- -6.3492 0.4416 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 9 14 2 0
- 9 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 15 19 2 0
- 15 20 1 0
- 16 21 2 0
- 18 22 2 0
- 8 12 1 0
- 10 14 1 0
- 17 21 1 0
- 19 22 1 0
- 1 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 8 29 1 0
- 8 30 1 0
- 13 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98046-75-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -0.4985 -0.5352 -0.0006 C 0 0 0
- -1.8756 -0.4460 -0.0004 N 0 0 0
- -0.0194 0.7892 0.0004 C 0 0 0
- 0.3505 -1.5509 0.0034 N 0 0 0
- -2.1991 0.8884 0.0007 C 0 0 0
- -2.8568 -1.3956 -0.0014 C 0 0 0
- -1.0868 1.6082 0.0011 N 0 0 0
- 1.3653 1.0086 0.0004 C 0 0 0
- 1.6530 -1.3586 0.0020 C 0 0 0
- -3.5580 1.2728 0.0004 C 0 0 0
- -4.1586 -1.0412 -0.0014 C 0 0 0
- 2.1952 -0.0819 -0.0005 C 0 0 0
- -4.5231 0.3157 -0.0010 C 0 0 0
- 3.6640 0.1018 -0.0009 N 0 3 0
- 4.3992 -0.8693 -0.0017 O 0 0 0
- 4.1374 1.2240 -0.0004 O 0 5 0
- -2.6014 -2.3892 0.0000 H 0 0 0
- 1.7473 1.9608 0.0000 H 0 0 0
- 2.2803 -2.1704 0.0000 H 0 0 0
- -3.8146 2.2661 0.0000 H 0 0 0
- -4.8853 -1.7654 0.0000 H 0 0 0
- -5.5136 0.5830 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 14 15 2 0
- 14 16 1 0
- 5 7 2 0
- 9 12 1 0
- 11 13 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63041-77-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.5047 -0.1378 -0.0013 C 0 0 0
- -1.9024 0.0139 -0.0012 C 0 0 0
- 0.3221 1.0001 0.0000 C 0 0 0
- 0.0800 -1.4795 0.0034 C 0 0 0
- -2.4605 1.3132 0.0002 C 0 0 0
- -2.7394 -1.1244 -0.0022 C 0 0 0
- 1.7706 0.8071 0.0000 C 0 0 0
- -0.2567 2.2831 0.0019 C 0 0 0
- 1.4573 -1.6285 0.0029 C 0 0 0
- -0.8140 -2.6376 0.0079 C 0 0 0
- -1.6046 2.4373 0.0011 C 0 0 0
- -3.8536 1.4520 0.0003 C 0 0 0
- -2.1535 -2.4621 -0.0037 C 0 0 0
- -4.1240 -0.9427 -0.0021 C 0 0 0
- 2.3024 -0.5073 -0.0014 C 0 0 0
- 2.6404 1.9045 0.0008 C 0 0 0
- -4.6594 0.3326 -0.0011 C 0 0 0
- 3.7015 -0.6767 -0.0019 C 0 0 0
- 3.9883 1.7020 0.0003 C 0 0 0
- 4.5159 0.4130 -0.0011 C 0 0 0
- 4.2942 -2.0622 -0.0028 C 0 0 0
- 0.3649 3.1348 0.0000 H 0 0 0
- 1.8762 -2.5961 0.0000 H 0 0 0
- -0.4116 -3.6122 0.0000 H 0 0 0
- -2.0182 3.4072 0.0000 H 0 0 0
- -4.2872 2.4132 0.0000 H 0 0 0
- -2.7867 -3.3052 0.0000 H 0 0 0
- -4.7637 -1.7809 0.0000 H 0 0 0
- 2.2535 2.8854 0.0000 H 0 0 0
- -5.7071 0.4517 0.0000 H 0 0 0
- 4.6395 2.5313 0.0000 H 0 0 0
- 5.5619 0.2798 0.0000 H 0 0 0
- 3.3247 -2.4769 0.0000 H 0 0 0
- 4.7089 -3.0317 0.0000 H 0 0 0
- 5.2636 -1.6475 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 18 21 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 1 0
- 14 17 2 0
- 19 20 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85977-49-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 2.5237 -0.7279 -0.3183 N 0 0 0
- 1.4214 0.0418 -0.4127 C 0 0 0
- 3.8429 -0.1555 -0.5981 C 0 0 0
- 2.4177 -1.9672 0.0235 N 0 0 0
- 0.2077 -0.4848 -0.1553 N 0 0 0
- 1.5217 1.2103 -0.7298 O 0 0 0
- 4.4382 0.4090 0.6934 C 0 0 0
- 3.4139 -2.6628 0.1088 O 0 0 0
- -0.9905 0.3519 -0.2579 C 0 0 0
- 6.0618 1.1134 0.3490 Cl 0 0 0
- -2.2263 -0.4833 0.0829 C 0 0 0
- -3.7100 0.5526 -0.0442 S 0 0 0
- -4.9337 -0.4910 0.3502 N 0 0 0
- -3.7677 1.5148 1.0000 O 0 0 0
- -4.0024 0.8851 -1.3944 O 0 0 0
- -5.3553 -0.6315 1.7462 C 0 0 0
- -5.5947 -1.2739 -0.6969 C 0 0 0
- 3.8451 -1.1181 0.0000 H 0 0 0
- 4.7277 -0.5346 0.0000 H 0 0 0
- 0.1115 -1.4425 0.0000 H 0 0 0
- 4.4360 1.3716 0.0000 H 0 0 0
- 3.5534 0.7881 0.0000 H 0 0 0
- -0.3472 1.0680 0.0000 H 0 0 0
- -1.6228 1.0777 0.0000 H 0 0 0
- -2.8695 -1.1994 0.0000 H 0 0 0
- -1.5940 -1.2091 0.0000 H 0 0 0
- -5.6596 0.2817 0.0000 H 0 0 0
- -6.2685 -0.9358 0.0000 H 0 0 0
- -5.0510 -1.5447 0.0000 H 0 0 0
- -6.3302 -0.6529 0.0000 H 0 0 0
- -6.2157 -2.0094 0.0000 H 0 0 0
- -4.8592 -1.8949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 12 15 2 0
- 13 16 1 0
- 13 17 1 0
- 3 18 1 0
- 3 19 1 0
- 5 20 1 0
- 7 21 1 0
- 7 22 1 0
- 9 23 1 0
- 9 24 1 0
- 11 25 1 0
- 11 26 1 0
- 16 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-11012-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-132135 1 V2000
- -7.7850 -0.1040 -0.8563 C 0 0 2
- -6.7131 0.2078 0.0315 O 0 0 0
- -7.8381 -1.6166 -1.0802 C 0 0 0
- -7.5704 0.6028 -2.1966 C 0 0 2
- -6.8111 1.5931 0.3565 C 0 0 2
- -8.2802 -2.2601 0.1167 O 0 0 0
- -7.5554 2.1181 -1.9653 C 0 0 1
- -8.6360 0.2676 -3.0878 O 0 0 0
- -6.5168 2.4389 -0.8845 C 0 0 1
- -5.8685 1.9094 1.3829 O 0 0 0
- -8.2266 -3.6671 -0.1268 C 0 0 2
- -7.1996 2.7818 -3.1797 O 0 0 0
- -6.5945 3.8250 -0.5457 O 0 0 0
- -6.5000 2.7239 2.2553 C 0 0 0
- -9.5464 -4.1628 -0.3428 O 0 0 0
- -7.5997 -4.3701 1.0794 C 0 0 1
- -5.8574 3.1112 3.4519 C 0 0 0
- -7.6230 3.1243 2.0104 O 0 0 0
- -9.4340 -5.5221 -0.7602 C 0 0 1
- -7.5139 -5.8734 0.7924 C 0 0 2
- -6.2868 -3.8522 1.3032 O 0 0 0
- -4.9869 4.1593 3.4493 C 0 0 0
- -6.1346 2.3651 4.7316 C 0 0 0
- -8.9059 -6.3769 0.3942 C 0 0 2
- -10.8083 -6.0389 -1.1902 C 0 0 0
- -7.0778 -6.5587 1.9681 O 0 0 0
- -4.8442 4.9508 2.2979 C 0 0 0
- -8.8176 -7.7403 -0.0243 O 0 0 0
- -11.2972 -5.2466 -2.2744 O 0 0 0
- -3.9022 5.9387 2.2608 C 0 0 0
- -3.8270 6.7949 1.1523 C 0 0 0
- -2.8348 6.6211 0.2149 C 0 0 0
- -4.8328 7.9050 0.9880 C 0 0 0
- -1.8991 5.5882 0.3677 C 0 0 0
- -0.9067 5.4144 -0.5699 C 0 0 0
- 0.0290 4.3816 -0.4170 C 0 0 0
- 1.0212 4.2078 -1.3545 C 0 0 0
- 1.9574 3.1745 -1.2016 C 0 0 0
- 1.1020 5.1277 -2.5455 C 0 0 0
- 2.9420 3.0021 -2.1319 C 0 0 0
- 3.8793 1.9674 -1.9788 C 0 0 0
- 4.8618 1.7954 -2.9070 C 0 0 0
- 5.8044 0.7549 -2.7530 C 0 0 0
- 4.9426 2.7152 -4.0980 C 0 0 0
- 6.7780 0.5844 -3.6729 O 0 0 0
- 5.7392 0.0120 -1.7911 O 0 0 0
- 7.5606 -0.5317 -3.2440 C 0 0 2
- 8.1192 -0.2556 -1.9610 O 0 0 0
- 8.6821 -0.7864 -4.2537 C 0 0 1
- 8.7354 -1.4534 -1.4918 C 0 0 2
- 9.4921 -2.0072 -3.8029 C 0 0 2
- 8.1156 -1.0397 -5.5410 O 0 0 0
- 9.1789 -1.2637 -0.0398 C 0 0 0
- 9.9530 -1.7836 -2.3581 C 0 0 2
- 10.6337 -2.1601 -4.6487 O 0 0 0
- 8.0406 -0.9647 0.7707 O 0 0 0
- 10.5780 -2.9716 -1.8682 O 0 0 0
- 8.5174 -0.7996 2.1076 C 0 0 2
- 9.1447 -2.0051 2.5409 O 0 0 0
- 7.3431 -0.4656 3.0304 C 0 0 1
- 9.7632 -1.7418 3.7988 C 0 0 1
- 7.8709 -0.2550 4.4541 C 0 0 2
- 6.7061 0.7304 2.5768 O 0 0 0
- 8.6908 -1.4849 4.8601 C 0 0 2
- 10.6115 -2.9461 4.2121 C 0 0 0
- 6.7702 -0.0988 5.3519 O 0 0 0
- 9.3173 -1.2445 6.1217 O 0 0 0
- 11.6187 -3.1802 3.2258 O 0 0 0
- -8.6109 0.0335 0.0000 H 0 0 0
- -7.3420 -2.2910 0.0000 H 0 0 0
- -7.0381 -1.3695 0.0000 H 0 0 0
- -6.7429 0.4757 0.0000 H 0 0 0
- -7.6411 1.7034 0.0000 H 0 0 0
- -8.3664 2.3260 0.0000 H 0 0 0
- -9.4347 0.0164 0.0000 H 0 0 0
- -5.6877 2.3225 0.0000 H 0 0 0
- -7.4501 -3.3541 0.0000 H 0 0 0
- -6.8040 3.5197 0.0000 H 0 0 0
- -6.6414 4.6609 0.0000 H 0 0 0
- -8.3732 -4.6904 0.0000 H 0 0 0
- -8.6387 -5.2604 0.0000 H 0 0 0
- -6.7170 -5.6165 0.0000 H 0 0 0
- -5.5080 -3.5450 0.0000 H 0 0 0
- -4.2279 3.8059 0.0000 H 0 0 0
- -6.9194 2.6567 0.0000 H 0 0 0
- -6.4262 1.5803 0.0000 H 0 0 0
- -5.3498 2.0735 0.0000 H 0 0 0
- -9.7035 -6.6315 0.0000 H 0 0 0
- -11.5476 -6.4318 0.0000 H 0 0 0
- -10.4638 -6.8020 0.0000 H 0 0 0
- -6.6283 -7.2651 0.0000 H 0 0 0
- -5.5907 5.3300 0.0000 H 0 0 0
- -8.7635 -8.5758 0.0000 H 0 0 0
- -11.7369 -4.5341 0.0000 H 0 0 0
- -3.1393 5.5938 0.0000 H 0 0 0
- -2.4304 7.3542 0.0000 H 0 0 0
- -4.2123 8.4672 0.0000 H 0 0 0
- -5.3950 8.5255 0.0000 H 0 0 0
- -5.4533 7.3428 0.0000 H 0 0 0
- -2.3035 4.8551 0.0000 H 0 0 0
- -0.5023 6.1475 0.0000 H 0 0 0
- -0.3754 3.6485 0.0000 H 0 0 0
- 1.5531 2.4414 0.0000 H 0 0 0
- 1.9360 5.0544 0.0000 H 0 0 0
- 1.1753 5.9617 0.0000 H 0 0 0
- 0.2680 5.2010 0.0000 H 0 0 0
- 3.3464 3.7352 0.0000 H 0 0 0
- 3.4749 1.2343 0.0000 H 0 0 0
- 5.7766 2.6419 0.0000 H 0 0 0
- 5.0159 3.5492 0.0000 H 0 0 0
- 4.1086 2.7885 0.0000 H 0 0 0
- 7.0939 -1.2268 0.0000 H 0 0 0
- 9.1577 -0.0974 0.0000 H 0 0 0
- 8.2088 -2.1043 0.0000 H 0 0 0
- 9.0480 -2.7170 0.0000 H 0 0 0
- 7.3513 -1.3815 0.0000 H 0 0 0
- 9.7230 -1.9000 0.0000 H 0 0 0
- 9.6237 -0.5544 0.0000 H 0 0 0
- 10.4766 -1.1303 0.0000 H 0 0 0
- 11.4635 -2.2712 0.0000 H 0 0 0
- 10.9678 -3.7126 0.0000 H 0 0 0
- 9.0465 -0.1507 0.0000 H 0 0 0
- 6.8171 -1.1170 0.0000 H 0 0 0
- 10.2333 -1.0490 0.0000 H 0 0 0
- 8.3170 0.4535 0.0000 H 0 0 0
- 6.3125 1.4694 0.0000 H 0 0 0
- 8.2119 -2.1716 0.0000 H 0 0 0
- 9.8202 -3.2198 0.0000 H 0 0 0
- 10.6553 -3.7822 0.0000 H 0 0 0
- 5.9413 0.0188 0.0000 H 0 0 0
- 10.0990 -0.9446 0.0000 H 0 0 0
- 12.4342 -3.3697 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 11 6 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 11 16 1 0
- 14 17 1 0
- 14 18 2 0
- 15 19 1 0
- 16 20 1 0
- 16 21 1 0
- 17 22 2 0
- 17 23 1 0
- 19 24 1 0
- 19 25 1 0
- 20 26 1 0
- 22 27 1 0
- 24 28 1 0
- 25 29 1 0
- 27 30 2 0
- 30 31 1 0
- 31 32 2 0
- 31 33 1 0
- 32 34 1 0
- 34 35 2 0
- 35 36 1 0
- 36 37 2 0
- 37 38 1 0
- 37 39 1 0
- 38 40 2 0
- 40 41 1 0
- 41 42 2 0
- 42 43 1 0
- 42 44 1 0
- 43 45 1 0
- 43 46 2 0
- 47 45 1 0
- 47 48 1 0
- 47 49 1 0
- 48 50 1 0
- 49 51 1 0
- 49 52 1 0
- 50 53 1 0
- 50 54 1 0
- 51 55 1 0
- 53 56 1 0
- 54 57 1 0
- 58 56 1 0
- 58 59 1 0
- 58 60 1 0
- 59 61 1 0
- 60 62 1 0
- 60 63 1 0
- 61 64 1 0
- 61 65 1 0
- 62 66 1 0
- 64 67 1 0
- 65 68 1 0
- 7 9 1 0
- 20 24 1 0
- 51 54 1 0
- 62 64 1 0
- 1 69 1 0
- 3 70 1 0
- 3 71 1 0
- 4 72 1 0
- 5 73 1 0
- 7 74 1 0
- 8 75 1 0
- 9 76 1 0
- 11 77 1 0
- 12 78 1 0
- 13 79 1 0
- 16 80 1 0
- 19 81 1 0
- 20 82 1 0
- 21 83 1 0
- 22 84 1 0
- 23 85 1 0
- 23 86 1 0
- 23 87 1 0
- 24 88 1 0
- 25 89 1 0
- 25 90 1 0
- 26 91 1 0
- 27 92 1 0
- 28 93 1 0
- 29 94 1 0
- 30 95 1 0
- 32 96 1 0
- 33 97 1 0
- 33 98 1 0
- 33 99 1 0
- 34100 1 0
- 35101 1 0
- 36102 1 0
- 38103 1 0
- 39104 1 0
- 39105 1 0
- 39106 1 0
- 40107 1 0
- 41108 1 0
- 44109 1 0
- 44110 1 0
- 44111 1 0
- 47112 1 0
- 49113 1 0
- 50114 1 0
- 51115 1 0
- 52116 1 0
- 53117 1 0
- 53118 1 0
- 54119 1 0
- 55120 1 0
- 57121 1 0
- 58122 1 0
- 60123 1 0
- 61124 1 0
- 62125 1 0
- 63126 1 0
- 64127 1 0
- 65128 1 0
- 65129 1 0
- 66130 1 0
- 67131 1 0
- 68132 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19387-91-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 2.5127 -0.0793 -0.1644 S 0 0 0
- 0.8178 -0.2648 0.4548 C 0 0 0
- 3.3688 0.2333 1.4040 C 0 0 0
- 2.9515 -1.3243 -0.6906 O 0 0 0
- 2.5849 1.0881 -0.9713 O 0 0 0
- -0.1255 -0.5445 -0.7168 C 0 0 0
- 4.8629 0.4295 1.1392 C 0 0 0
- -1.4943 -0.6943 -0.2167 N 0 0 0
- -2.3698 0.3182 0.0696 C 0 0 0
- -2.1300 -1.8573 0.0424 C 0 0 0
- -2.1147 1.7700 -0.0660 N 0 3 0
- -3.5079 -0.2603 0.4983 C 0 0 0
- -3.3331 -1.5899 0.4713 N 0 0 0
- -1.5465 -3.2355 -0.1341 C 0 0 0
- -1.5566 2.2002 -1.0595 O 0 0 0
- -2.4629 2.5345 0.8160 O 0 5 0
- 1.1625 0.6654 0.0000 H 0 0 0
- 0.1401 0.4596 0.0000 H 0 0 0
- 3.6807 1.1750 0.0000 H 0 0 0
- 2.6568 0.9241 0.0000 H 0 0 0
- -0.4702 -1.4747 0.0000 H 0 0 0
- 0.5522 -1.2689 0.0000 H 0 0 0
- 4.9921 -0.5541 0.0000 H 0 0 0
- 5.8465 0.5587 0.0000 H 0 0 0
- 4.7337 1.4131 0.0000 H 0 0 0
- -4.3856 0.2021 0.0000 H 0 0 0
- -2.4600 -3.6223 0.0000 H 0 0 0
- -1.1597 -4.1490 0.0000 H 0 0 0
- -0.6330 -2.8487 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 8 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 11 16 1 0
- 12 13 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142438-70-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.6246 0.0884 0.0888 C 0 0 0
- 0.7720 0.3747 1.3265 C 0 0 0
- 1.8959 1.1814 0.9684 O 0 0 0
- 2.5536 -1.0974 0.1349 C 0 0 0
- 1.0318 0.4033 -1.2604 C 0 0 0
- -0.4985 1.0706 0.9113 C 0 0 0
- 2.0595 -2.3456 0.0154 N 0 0 0
- 3.7458 -0.9284 0.2796 O 0 0 0
- 1.6496 1.2759 -2.0809 N 0 0 0
- -0.0014 -0.1286 -1.6079 O 0 0 0
- -1.6636 0.2806 0.4817 C 0 0 0
- -0.5609 2.2813 0.9311 O 0 0 0
- -2.5428 0.7903 -0.4793 C 0 0 0
- -1.8941 -0.9858 1.0280 C 0 0 0
- -3.6320 0.0442 -0.8765 C 0 0 0
- -2.9881 -1.7198 0.6203 C 0 0 0
- -3.8565 -1.2062 -0.3268 C 0 0 0
- 0.3987 -0.4782 0.0000 H 0 0 0
- 1.1385 -2.4817 0.0000 H 0 0 0
- 2.6378 -3.0752 0.0000 H 0 0 0
- 2.5766 1.1899 0.0000 H 0 0 0
- 1.2605 2.1217 0.0000 H 0 0 0
- -2.5778 1.7207 0.0000 H 0 0 0
- -1.1153 -1.4960 0.0000 H 0 0 0
- -4.4138 0.5497 0.0000 H 0 0 0
- -2.9616 -2.6504 0.0000 H 0 0 0
- -4.7029 -1.5939 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 11 13 1 0
- 11 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 2 3 1 0
- 16 17 2 0
- 2 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26093-31-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -1.4212 -2.8800 0.0000 C 0 0 0
- -1.2494 -1.3829 0.0017 C 0 0 0
- 0.0841 -0.7793 0.0008 C 0 0 0
- -2.3283 -0.5566 -0.0015 C 0 0 0
- 0.1973 0.6240 0.0020 C 0 0 0
- 1.2356 -1.5759 -0.0007 C 0 0 0
- -2.1417 0.8404 -0.0003 C 0 0 0
- -0.9161 1.3881 0.0035 O 0 0 0
- 1.4551 1.2058 0.0012 C 0 0 0
- 2.4666 -0.9887 -0.0011 C 0 0 0
- -3.1174 1.5695 -0.0033 O 0 0 0
- 2.5859 0.4020 -0.0008 C 0 0 0
- 3.8487 0.9867 -0.0016 N 0 0 0
- -2.4565 -2.7612 0.0000 H 0 0 0
- -1.5400 -3.9153 0.0000 H 0 0 0
- -0.3859 -2.9988 0.0000 H 0 0 0
- -3.2913 -0.9549 0.0000 H 0 0 0
- 1.1523 -2.6147 0.0000 H 0 0 0
- 1.5512 2.2435 0.0000 H 0 0 0
- 3.3234 -1.5820 0.0000 H 0 0 0
- 4.7007 0.3867 0.0000 H 0 0 0
- 3.9423 2.0246 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 2 0
- 12 9 2 0
- 13 12 1 0
- 7 8 1 0
- 10 12 1 0
- 1 14 1 0
- 1 15 1 0
- 1 16 1 0
- 4 17 1 0
- 6 18 1 0
- 9 19 1 0
- 10 20 1 0
- 13 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2784-86-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.8366 -0.5094 0.2157 C 0 0 0
- -2.3127 -0.5184 0.0656 C 0 0 0
- -0.3656 0.7945 0.0837 C 0 0 0
- 0.0673 -1.5466 0.4573 C 0 0 0
- -2.7642 0.7790 -0.1602 C 0 0 0
- -3.2348 -1.5659 0.1154 C 0 0 0
- -1.5581 1.6860 -0.1620 C 0 0 0
- 0.9863 1.0609 0.1855 C 0 0 0
- 1.4161 -1.2798 0.5583 C 0 0 0
- -4.1098 1.0265 -0.3321 C 0 0 0
- -4.5787 -1.3090 -0.0583 C 0 0 0
- 1.8838 0.0201 0.4215 C 0 0 0
- 1.4409 2.3358 0.0553 O 0 0 0
- -5.0179 -0.0160 -0.2806 C 0 0 0
- 3.2545 0.2864 0.5252 N 0 0 0
- 4.1309 -0.3775 -0.2542 C 0 0 0
- 5.6123 -0.1878 -0.0532 C 0 0 0
- 3.7273 -1.1279 -1.1175 O 0 0 0
- -0.2667 -2.5237 0.0000 H 0 0 0
- -2.9001 -2.5428 0.0000 H 0 0 0
- -0.8644 2.4509 0.0000 H 0 0 0
- -2.2540 2.4489 0.0000 H 0 0 0
- 2.0895 -2.0627 0.0000 H 0 0 0
- -4.4504 2.0013 0.0000 H 0 0 0
- -5.2566 -2.0880 0.0000 H 0 0 0
- 1.7877 3.3085 0.0000 H 0 0 0
- -6.0310 0.1837 0.0000 H 0 0 0
- 3.4881 1.2923 0.0000 H 0 0 0
- 5.7435 -1.2121 0.0000 H 0 0 0
- 6.6366 -0.0566 0.0000 H 0 0 0
- 5.4811 0.8365 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 12 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2221-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.3985 -0.2414 -0.1030 C 0 0 0
- -0.7846 -1.0030 -0.2046 C 0 0 0
- 0.3025 1.1630 0.0645 C 0 0 0
- 1.6616 -0.8522 -0.1593 C 0 0 0
- -1.9977 -0.3247 -0.1339 C 0 0 0
- -0.7414 -2.3482 -0.3659 O 0 0 0
- -0.8921 1.7595 0.1260 N 0 0 0
- 1.4850 1.9199 0.1656 C 0 0 0
- 2.7869 -0.0852 -0.0577 C 0 0 0
- -2.0179 1.0770 0.0339 C 0 0 0
- -3.4062 -0.7362 -0.1955 C 0 0 0
- -0.8712 -2.9246 0.9352 C 0 0 0
- 2.6938 1.3007 0.1020 C 0 0 0
- 4.0104 -0.6754 -0.1116 O 0 0 0
- -3.3152 1.4490 0.0672 O 0 0 0
- -4.1268 0.3842 -0.0675 C 0 0 0
- 4.9783 0.3677 0.0199 C 0 0 0
- 1.7370 -1.8708 0.0000 H 0 0 0
- 1.4360 2.9401 0.0000 H 0 0 0
- -3.7636 -1.6930 0.0000 H 0 0 0
- -1.8676 -2.7002 0.0000 H 0 0 0
- -1.0956 -3.9210 0.0000 H 0 0 0
- 0.1252 -3.1490 0.0000 H 0 0 0
- 3.5469 1.8623 0.0000 H 0 0 0
- -5.1474 0.4249 0.0000 H 0 0 0
- 5.7270 -0.3270 0.0000 H 0 0 0
- 5.6730 1.1164 0.0000 H 0 0 0
- 4.2296 1.0624 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 14 17 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 1 0
- 4 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 16 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-82-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.7353 -0.0966 0.1031 C 0 0 0
- -0.7353 0.0966 0.1031 C 0 0 0
- 1.5752 0.9375 -0.3069 C 0 0 0
- 1.2799 -1.3111 0.5186 C 0 0 0
- -1.5752 -0.9375 -0.3069 C 0 0 0
- -1.2799 1.3111 0.5186 C 0 0 0
- 2.9421 0.7557 -0.3061 C 0 0 0
- 2.6469 -1.4885 0.5178 C 0 0 0
- -2.9421 -0.7557 -0.3061 C 0 0 0
- -2.6469 1.4885 0.5178 C 0 0 0
- 3.4825 -0.4577 0.1030 C 0 0 0
- 3.8506 1.8732 -0.7497 C 0 0 0
- -3.4825 0.4577 0.1030 C 0 0 0
- -3.8506 -1.8732 -0.7497 C 0 0 0
- 4.8668 -0.6396 0.1030 N 0 0 0
- -4.8668 0.6396 0.1030 N 0 0 0
- 1.1934 1.8983 0.0000 H 0 0 0
- 0.6632 -2.1409 0.0000 H 0 0 0
- -1.1934 -1.8983 0.0000 H 0 0 0
- -0.6632 2.1409 0.0000 H 0 0 0
- 3.0306 -2.4485 0.0000 H 0 0 0
- -3.0306 2.4485 0.0000 H 0 0 0
- 4.6528 1.2210 0.0000 H 0 0 0
- 4.5028 2.6754 0.0000 H 0 0 0
- 3.0484 2.5254 0.0000 H 0 0 0
- -4.6528 -1.2210 0.0000 H 0 0 0
- -4.5028 -2.6754 0.0000 H 0 0 0
- -3.0484 -2.5254 0.0000 H 0 0 0
- 5.2627 -1.5947 0.0000 H 0 0 0
- 5.4960 0.1808 0.0000 H 0 0 0
- -5.2627 1.5947 0.0000 H 0 0 0
- -5.4960 -0.1808 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 8 11 1 0
- 10 13 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-60-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 51 1 V2000
- -1.8578 -0.0292 -0.2290 N 0 0 0
- -0.4497 -0.2535 -0.5826 C 0 0 0
- -2.4453 0.7630 -1.3177 C 0 0 0
- -2.5152 -1.3425 -0.2603 C 0 0 0
- 0.4472 0.2547 0.5480 C 0 0 0
- -2.8042 2.1566 -0.7980 C 0 0 0
- -3.4775 -1.4594 0.9234 C 0 0 0
- 1.8552 0.0304 0.1945 N 0 0 0
- -3.2250 3.0452 -1.9703 C 0 0 0
- -3.8831 2.0543 0.1334 O 0 0 0
- -4.2875 -2.7512 0.7966 C 0 0 0
- -2.7323 -1.4822 2.1426 O 0 0 0
- 2.6579 0.5377 1.3154 C 0 0 0
- 2.0545 -1.4245 0.1570 C 0 0 0
- 3.2553 1.8956 0.9414 C 0 0 0
- 3.1196 -1.7667 -0.8867 C 0 0 0
- 4.0536 2.4451 2.1254 C 0 0 0
- 4.1202 1.7414 -0.1856 O 0 0 0
- 3.4386 -3.2615 -0.8187 C 0 0 0
- 2.6309 -1.4427 -2.1899 O 0 0 0
- -0.8084 -0.9829 0.0000 H 0 0 0
- 0.1416 -0.8112 0.0000 H 0 0 0
- -3.2498 0.8787 0.0000 H 0 0 0
- -2.8616 0.0649 0.0000 H 0 0 0
- -2.5754 -2.1531 0.0000 H 0 0 0
- -1.7316 -1.5586 0.0000 H 0 0 0
- 0.8059 0.9841 0.0000 H 0 0 0
- -0.1441 0.8124 0.0000 H 0 0 0
- -2.0399 2.4331 0.0000 H 0 0 0
- -3.9132 -0.7733 0.0000 H 0 0 0
- -2.4904 3.3931 0.0000 H 0 0 0
- -3.5729 3.7798 0.0000 H 0 0 0
- -3.9596 2.6973 0.0000 H 0 0 0
- -4.6923 1.9776 0.0000 H 0 0 0
- -4.9761 -2.3194 0.0000 H 0 0 0
- -4.7193 -3.4398 0.0000 H 0 0 0
- -3.5989 -3.1830 0.0000 H 0 0 0
- -1.9199 -1.5071 0.0000 H 0 0 0
- 2.8492 -0.2523 0.0000 H 0 0 0
- 3.4675 0.4659 0.0000 H 0 0 0
- 1.2418 -1.4140 0.0000 H 0 0 0
- 1.9235 -2.2267 0.0000 H 0 0 0
- 2.6290 2.4137 0.0000 H 0 0 0
- 3.7914 -1.3092 0.0000 H 0 0 0
- 4.5145 1.7756 0.0000 H 0 0 0
- 4.7231 2.9060 0.0000 H 0 0 0
- 3.5927 3.1146 0.0000 H 0 0 0
- 4.9204 1.5987 0.0000 H 0 0 0
- 2.6437 -3.4311 0.0000 H 0 0 0
- 3.6082 -4.0564 0.0000 H 0 0 0
- 4.2335 -3.0919 0.0000 H 0 0 0
- 1.9535 -0.9936 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 9 31 1 0
- 9 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 11 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 15 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 17 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63980-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.1141 -0.3663 -0.1167 N 0 0 0
- -1.1412 0.1564 0.2208 N 0 0 0
- 1.1320 0.0434 0.4609 N 0 0 0
- -2.3437 -0.3277 -0.4617 C 0 0 0
- 2.4446 -0.5031 0.1080 C 0 0 0
- -3.5711 0.4004 0.0900 C 0 0 0
- 3.3479 0.6246 -0.3954 C 0 0 0
- -1.1350 1.1995 0.0000 H 0 0 0
- -3.0570 -1.0888 0.0000 H 0 0 0
- -1.7545 -1.1884 0.0000 H 0 0 0
- 1.9554 -1.4244 0.0000 H 0 0 0
- 3.3161 -1.0763 0.0000 H 0 0 0
- -3.0389 1.2975 0.0000 H 0 0 0
- -4.4682 0.9326 0.0000 H 0 0 0
- -4.1033 -0.4967 0.0000 H 0 0 0
- 4.1620 -0.0275 0.0000 H 0 0 0
- 4.0000 1.4387 0.0000 H 0 0 0
- 2.5338 1.2767 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51-03-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 55 1 V2000
- -2.9177 -1.7226 0.3503 C 0 0 0
- -4.0798 -1.4698 -0.3744 C 0 0 0
- -2.0609 -0.6801 0.6641 C 0 0 0
- -2.8598 -3.0573 0.6302 O 0 0 0
- -4.3726 -0.1773 -0.7783 C 0 0 0
- -4.7474 -2.6469 -0.5530 O 0 0 0
- -2.3598 0.6072 0.2584 C 0 0 0
- -4.1965 -3.5516 0.4245 C 0 0 0
- -3.5127 0.8579 -0.4623 C 0 0 0
- -1.4261 1.7394 0.6010 C 0 0 0
- -3.8334 2.2629 -0.9028 C 0 0 0
- -0.3143 1.2323 1.3418 O 0 0 0
- -3.3888 2.4564 -2.3539 C 0 0 0
- 0.5297 2.3475 1.6351 C 0 0 0
- -3.7144 3.8829 -2.8012 C 0 0 0
- 1.7461 1.8710 2.4315 C 0 0 0
- 2.4739 0.9123 1.6613 O 0 0 0
- 3.5914 0.5077 2.4547 C 0 0 0
- 4.4171 -0.5243 1.6839 C 0 0 0
- 4.8838 0.0544 0.4635 O 0 0 0
- 5.6438 -0.9529 -0.2071 C 0 0 0
- 6.1756 -0.3951 -1.5289 C 0 0 0
- 6.9892 -1.4736 -2.2470 C 0 0 0
- 7.5210 -0.9159 -3.5687 C 0 0 0
- -1.0958 -0.9060 0.0000 H 0 0 0
- -5.3365 0.0537 0.0000 H 0 0 0
- -5.0744 -4.0117 0.0000 H 0 0 0
- -3.7937 -4.4572 0.0000 H 0 0 0
- -0.9378 2.6019 0.0000 H 0 0 0
- -2.2428 2.3010 0.0000 H 0 0 0
- -4.1718 3.1945 0.0000 H 0 0 0
- -4.7842 1.9829 0.0000 H 0 0 0
- -3.0504 1.5248 0.0000 H 0 0 0
- -2.4380 2.7364 0.0000 H 0 0 0
- 0.9740 3.2335 0.0000 H 0 0 0
- -0.3120 2.8709 0.0000 H 0 0 0
- -2.7481 4.1035 0.0000 H 0 0 0
- -3.9350 4.8492 0.0000 H 0 0 0
- -4.6807 3.6623 0.0000 H 0 0 0
- 2.6905 2.1719 0.0000 H 0 0 0
- 1.7783 2.8616 0.0000 H 0 0 0
- 4.5278 0.8327 0.0000 H 0 0 0
- 3.5980 1.4988 0.0000 H 0 0 0
- 3.6900 -1.1979 0.0000 H 0 0 0
- 5.1416 -1.2007 0.0000 H 0 0 0
- 4.8861 -1.5919 0.0000 H 0 0 0
- 6.3230 -1.6748 0.0000 H 0 0 0
- 6.9333 0.2439 0.0000 H 0 0 0
- 5.4964 0.3268 0.0000 H 0 0 0
- 6.2315 -2.1126 0.0000 H 0 0 0
- 7.6683 -2.1955 0.0000 H 0 0 0
- 8.2383 -1.5999 0.0000 H 0 0 0
- 8.2050 -0.1986 0.0000 H 0 0 0
- 6.8037 -0.2319 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 6 8 1 0
- 7 9 1 0
- 3 25 1 0
- 5 26 1 0
- 8 27 1 0
- 8 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 11 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 18 42 1 0
- 18 43 1 0
- 19 44 1 0
- 19 45 1 0
- 21 46 1 0
- 21 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117-12-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.4363 0.2540 -0.0027 C 0 0 0
- -0.9821 -1.0781 -0.0021 C 0 0 0
- -0.4679 1.3649 -0.0023 C 0 0 0
- -2.8101 0.5156 0.0022 C 0 0 0
- 0.4679 -1.3649 -0.0006 C 0 0 0
- -1.9028 -2.1202 -0.0025 C 0 0 0
- 0.9821 1.0780 -0.0013 C 0 0 0
- -0.8609 2.5152 -0.0024 O 0 0 0
- -3.7139 -0.5429 0.0076 C 0 0 0
- -3.2596 1.7947 0.0021 O 0 0 0
- 1.4363 -0.2541 0.0004 C 0 0 0
- 0.8609 -2.5152 -0.0005 O 0 0 0
- -3.2613 -1.8463 -0.0035 C 0 0 0
- 1.9028 2.1202 -0.0005 C 0 0 0
- 2.8101 -0.5156 0.0012 C 0 0 0
- 3.2613 1.8463 0.0008 C 0 0 0
- 3.7139 0.5429 0.0014 C 0 0 0
- 3.2597 -1.7947 0.0022 O 0 0 0
- -1.5705 -3.1093 0.0000 H 0 0 0
- -4.7393 -0.3497 0.0000 H 0 0 0
- -3.6055 2.7791 0.0000 H 0 0 0
- -3.9476 -2.6323 0.0000 H 0 0 0
- 1.5705 3.1093 0.0000 H 0 0 0
- 3.9476 2.6323 0.0000 H 0 0 0
- 4.7393 0.3497 0.0000 H 0 0 0
- 3.6057 -2.7791 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 7 11 2 0
- 9 13 1 0
- 16 17 1 0
- 6 19 1 0
- 9 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19315-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 0.8063 -0.3537 0.1457 C 0 0 0
- 2.1996 -0.3255 0.2899 N 0 0 0
- 0.1833 -1.4854 -0.3638 C 0 0 0
- 0.0472 0.7477 0.5175 C 0 0 0
- 2.9196 0.6441 -0.3084 C 0 0 0
- 2.8514 -1.3158 1.0642 O 0 0 0
- -1.1898 -1.5126 -0.5053 C 0 0 0
- -1.3262 0.7191 0.3755 C 0 0 0
- 3.4039 0.4587 -1.7233 C 0 0 0
- 3.1776 1.6659 0.2920 O 0 0 0
- -1.9473 -0.4097 -0.1384 C 0 0 0
- -3.2995 -0.4372 -0.2779 O 0 0 0
- -3.7876 0.8261 0.1783 C 0 0 0
- -5.3116 0.8614 0.0474 C 0 0 0
- 0.7023 -2.3441 0.0000 H 0 0 0
- 0.5045 1.6408 0.0000 H 0 0 0
- 3.4030 -2.1539 0.0000 H 0 0 0
- -1.6483 -2.4051 0.0000 H 0 0 0
- -1.8458 1.5775 0.0000 H 0 0 0
- 3.0452 -0.4783 0.0000 H 0 0 0
- 4.3409 0.1000 0.0000 H 0 0 0
- 3.7626 1.3957 0.0000 H 0 0 0
- -2.8125 1.0627 0.0000 H 0 0 0
- -3.8952 1.8237 0.0000 H 0 0 0
- -5.2884 1.8645 0.0000 H 0 0 0
- -6.3147 0.8846 0.0000 H 0 0 0
- -5.3348 -0.1417 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 8 11 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6471-49-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 56 1 V2000
- -0.9102 2.4969 0.3045 C 0 0 0
- -1.1456 1.0853 0.0014 C 0 0 0
- 0.4212 2.9625 0.4436 C 0 0 0
- -1.9739 3.3937 0.4532 C 0 0 0
- -0.0493 0.2352 -0.1424 C 0 0 0
- -2.4119 0.6099 -0.1372 N 0 0 0
- 1.4913 2.0683 0.2887 C 0 0 0
- 0.6468 4.3199 0.7350 C 0 0 0
- -1.7190 4.7036 0.7353 C 0 0 0
- 1.2587 0.7338 0.0028 C 0 0 0
- -0.2445 -1.0761 -0.4228 O 0 0 0
- -2.7952 -0.4137 0.5478 N 0 0 0
- -0.4127 5.1634 0.8786 C 0 0 0
- 2.4044 -0.1833 -0.1530 C 0 0 0
- -4.0664 -0.8909 0.4087 C 0 0 0
- 3.6520 0.2436 0.1254 N 0 0 0
- 2.2226 -1.3241 -0.5327 O 0 0 0
- -4.4877 -2.0041 1.1518 C 0 0 0
- -4.9579 -0.2702 -0.4705 C 0 0 0
- 4.7500 -0.5772 -0.1516 C 0 0 0
- -5.7799 -2.4795 1.0029 C 0 0 0
- -3.6321 -2.6128 2.0126 O 0 0 0
- -6.2407 -0.7574 -0.6057 C 0 0 0
- 6.0409 -0.0841 -0.0098 C 0 0 0
- 4.5522 -1.8886 -0.5634 C 0 0 0
- -6.6501 -1.8594 0.1258 C 0 0 0
- -4.3475 -3.6969 2.6085 C 0 0 0
- -7.1843 -0.0993 -1.5371 N 0 3 0
- 7.1228 -0.8971 -0.2842 C 0 0 0
- 5.6387 -2.6965 -0.8362 C 0 0 0
- -8.3181 -0.5274 -1.6587 O 0 0 0
- -6.8270 0.8702 -2.1820 O 0 5 0
- 6.9223 -2.2010 -0.6996 C 0 0 0
- 8.4987 -0.3725 -0.1339 N 0 3 0
- 9.4535 -1.0890 -0.3757 O 0 0 0
- 8.6760 0.7758 0.2316 O 0 5 0
- -2.9311 3.0561 0.0000 H 0 0 0
- 2.4444 2.4174 0.0000 H 0 0 0
- 1.5943 4.6840 0.0000 H 0 0 0
- -2.4872 5.3670 0.0000 H 0 0 0
- -0.3939 -2.0800 0.0000 H 0 0 0
- -0.2440 6.1643 0.0000 H 0 0 0
- 3.8098 1.2462 0.0000 H 0 0 0
- -4.8338 0.7372 0.0000 H 0 0 0
- -5.9148 -3.4855 0.0000 H 0 0 0
- 6.1823 0.9210 0.0000 H 0 0 0
- 3.6138 -2.2753 0.0000 H 0 0 0
- -7.6204 -2.1574 0.0000 H 0 0 0
- -5.1947 -3.1379 0.0000 H 0 0 0
- -4.9065 -4.5441 0.0000 H 0 0 0
- -3.5003 -4.2559 0.0000 H 0 0 0
- 5.5016 -3.7022 0.0000 H 0 0 0
- 7.7131 -2.8372 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 20 24 1 0
- 20 25 2 0
- 21 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 2 0
- 25 30 1 0
- 28 31 2 0
- 28 32 1 0
- 29 33 1 0
- 29 34 1 0
- 34 35 2 0
- 34 36 1 0
- 7 10 2 0
- 9 13 2 0
- 23 26 2 0
- 30 33 2 0
- 4 37 1 0
- 7 38 1 0
- 8 39 1 0
- 9 40 1 0
- 11 41 1 0
- 13 42 1 0
- 16 43 1 0
- 19 44 1 0
- 21 45 1 0
- 24 46 1 0
- 25 47 1 0
- 26 48 1 0
- 27 49 1 0
- 27 50 1 0
- 27 51 1 0
- 30 52 1 0
- 33 53 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-625-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.1754 0.9631 -0.5590 C 0 0 0
- -0.8212 -0.0078 -0.1002 N 0 3 0
- 1.4508 0.8166 0.2732 C 0 0 0
- -1.8952 0.3772 0.3262 O 0 0 0
- -0.5758 -1.2000 -0.1452 O 0 5 0
- 1.9694 -0.5063 0.1213 O 0 0 0
- 0.4987 1.8700 0.0000 H 0 0 0
- -0.6350 1.4830 0.0000 H 0 0 0
- 2.3923 1.0182 0.0000 H 0 0 0
- 1.4043 1.7783 0.0000 H 0 0 0
- 2.3208 -1.4027 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-128-08-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.4538 0.0000 -0.0005 Br 0 0 0
- 0.3962 0.0000 -0.0021 N 0 0 0
- 1.1207 1.1258 0.0000 C 0 0 0
- 1.1207 -1.1258 0.0003 C 0 0 0
- 0.6697 2.2510 0.0035 O 0 0 0
- 2.5917 0.7711 -0.0021 C 0 0 0
- 0.6697 -2.2510 0.0034 O 0 0 0
- 2.5917 -0.7712 -0.0019 C 0 0 0
- 3.6578 0.6868 0.0000 H 0 0 0
- 2.7597 1.8273 0.0000 H 0 0 0
- 2.7597 -1.8274 0.0000 H 0 0 0
- 3.6578 -0.6870 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 6 8 1 0
- 6 9 1 0
- 6 10 1 0
- 8 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6309-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -2.0083 0.7892 0.0668 O 0 0 0
- -2.8419 -0.2633 0.0698 C 0 0 0
- -0.6671 0.5936 -0.0355 C 0 0 0
- -4.3142 -0.0577 0.3173 C 0 0 0
- -2.4117 -1.3753 -0.1260 O 0 0 0
- 0.2029 1.6667 0.0886 C 0 0 0
- -0.1657 -0.6808 -0.2586 C 0 0 0
- 1.5658 1.4653 -0.0158 C 0 0 0
- 1.1976 -0.8770 -0.3622 C 0 0 0
- 2.0626 0.1954 -0.2438 C 0 0 0
- 3.5495 -0.0214 -0.3577 C 0 0 0
- 3.9775 -0.9306 0.6582 O 0 0 0
- -4.1717 0.9625 0.0000 H 0 0 0
- -5.3344 0.0848 0.0000 H 0 0 0
- -4.4567 -1.0779 0.0000 H 0 0 0
- -0.1709 2.6265 0.0000 H 0 0 0
- -0.8049 -1.4885 0.0000 H 0 0 0
- 2.2073 2.2712 0.0000 H 0 0 0
- 1.5745 -1.8356 0.0000 H 0 0 0
- 4.5488 0.2285 0.0000 H 0 0 0
- 3.4979 1.0074 0.0000 H 0 0 0
- 4.4162 -1.8626 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 11 10 1 0
- 12 11 1 0
- 9 10 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67-56-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- -0.8163 0.0000 0.0000 C 0 0 0
- 0.6127 0.0000 0.0000 O 0 0 0
- -0.8163 1.0717 0.0000 H 0 0 0
- -1.8880 0.0000 0.0000 H 0 0 0
- -0.8163 -1.0717 0.0000 H 0 0 0
- 1.6844 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-149573-80-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.1436 -0.7090 0.3253 C 0 0 0
- 0.9887 0.1410 0.9294 C 0 0 0
- 0.7675 -1.2494 -0.7379 N 0 0 0
- -1.2649 -1.0122 0.7670 C 0 0 0
- 2.1655 0.1141 0.2065 N 0 0 0
- 1.9742 -0.7715 -0.8261 C 0 0 0
- -2.2178 -0.0540 0.1000 C 0 0 0
- 3.2362 0.7902 0.4528 N 0 0 0
- -3.5401 -0.1369 0.3472 N 0 0 0
- -1.7947 0.7919 -0.6593 O 0 0 0
- 4.2103 0.6724 -0.2689 O 0 0 0
- -4.4354 0.7634 -0.2796 O 0 0 0
- 0.6435 0.9985 0.0000 H 0 0 0
- -2.0317 -1.5283 0.0000 H 0 0 0
- -0.9030 -1.8628 0.0000 H 0 0 0
- 2.6793 -1.3693 0.0000 H 0 0 0
- -3.8681 -1.0011 0.0000 H 0 0 0
- -5.0872 1.4188 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 2 0
- 9 12 1 0
- 5 6 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 9 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-73018-98-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.9388 0.1498 -0.3186 C 0 0 0
- -0.2890 0.9255 0.1625 C 0 0 0
- 2.1693 0.6024 0.4701 C 0 0 0
- 0.7293 -1.2488 -0.1131 O 0 0 0
- -1.4672 0.4921 -0.5927 N 0 0 0
- 3.3161 -0.1221 0.0207 O 0 0 0
- -2.3456 0.0425 -0.0545 N 0 3 0
- -3.2240 -0.4072 0.4837 N 0 5 0
- 1.0423 1.1277 0.0000 H 0 0 0
- 0.4038 1.6234 0.0000 H 0 0 0
- -0.8203 1.7530 0.0000 H 0 0 0
- 2.8621 1.3003 0.0000 H 0 0 0
- 1.6380 1.4299 0.0000 H 0 0 0
- 0.5836 -2.2213 0.0000 H 0 0 0
- 4.1474 -0.6473 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 7 8 2 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-874-60-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.0771 -0.2634 -0.0015 C 0 0 0
- -1.5308 -0.5025 -0.0011 C 0 0 0
- 0.4199 1.0434 -0.0003 C 0 0 0
- 0.8120 -1.3418 0.0027 C 0 0 0
- -1.9588 -1.6376 -0.0021 O 0 0 0
- -2.6313 0.8401 0.0009 Cl 0 0 0
- 1.7817 1.2592 -0.0002 C 0 0 0
- 2.1716 -1.1100 0.0028 C 0 0 0
- 2.6560 0.1862 -0.0013 C 0 0 0
- 4.1430 0.4308 -0.0012 C 0 0 0
- -0.2379 1.8530 0.0000 H 0 0 0
- 0.4482 -2.3195 0.0000 H 0 0 0
- 2.1540 2.2337 0.0000 H 0 0 0
- 2.8364 -1.9139 0.0000 H 0 0 0
- 4.3123 -0.5985 0.0000 H 0 0 0
- 5.1723 0.6001 0.0000 H 0 0 0
- 3.9737 1.4601 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 8 9 2 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-101-80-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.0646 0.9629 0.0162 C 0 0 0
- -0.0493 1.7424 0.0407 O 0 0 0
- 1.5860 0.5366 -1.1969 C 0 0 0
- 1.6823 0.5991 1.2037 C 0 0 0
- -1.1178 0.9015 0.0283 C 0 0 0
- 2.7170 -0.2550 -1.2226 C 0 0 0
- 2.8138 -0.1926 1.1796 C 0 0 0
- -2.4007 1.4126 -0.1029 C 0 0 0
- -0.9239 -0.4678 0.1412 C 0 0 0
- 3.3328 -0.6244 -0.0337 C 0 0 0
- -3.4864 0.5590 -0.1161 C 0 0 0
- -2.0084 -1.3223 0.1283 C 0 0 0
- 4.4788 -1.4269 -0.0589 N 0 0 0
- -3.2936 -0.8109 0.0022 C 0 0 0
- -4.3931 -1.6763 -0.0110 N 0 0 0
- 0.9609 -0.2891 0.0000 H 0 0 0
- 2.2424 1.4702 0.0000 H 0 0 0
- 2.1534 -1.1238 0.0000 H 0 0 0
- 3.4424 0.6304 0.0000 H 0 0 0
- -2.5489 2.4376 0.0000 H 0 0 0
- 0.0373 -0.8533 0.0000 H 0 0 0
- -4.4472 0.9454 0.0000 H 0 0 0
- -1.8595 -2.3472 0.0000 H 0 0 0
- 4.3885 -2.4586 0.0000 H 0 0 0
- 5.4174 -0.9893 0.0000 H 0 0 0
- -5.3547 -1.2918 0.0000 H 0 0 0
- -4.2453 -2.7013 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 14 15 1 0
- 7 10 2 0
- 12 14 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6967-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -0.2291 -0.0027 0.8256 N 0 0 0
- -1.3731 -0.0014 0.1131 C 0 0 0
- 1.0054 -0.0002 0.1670 C 0 0 0
- -2.7027 -0.0040 0.8224 C 0 0 0
- -1.3325 0.0019 -1.0991 O 0 0 0
- 1.6186 1.2026 -0.1573 C 0 0 0
- 1.6228 -1.2010 -0.1587 C 0 0 0
- -4.0331 -0.0014 -0.3944 Cl 0 0 0
- 0.9552 2.5078 0.1997 C 0 0 0
- 2.8376 1.2016 -0.8071 C 0 0 0
- 0.9638 -2.5088 0.1969 C 0 0 0
- 2.8414 -1.1952 -0.8083 C 0 0 0
- 1.3605 2.9147 1.6179 C 0 0 0
- 3.4470 0.0046 -1.1346 C 0 0 0
- 1.3703 -2.9158 1.6146 C 0 0 0
- -0.2287 -0.9999 0.0000 H 0 0 0
- -3.2019 -0.8673 0.0000 H 0 0 0
- -2.2035 -0.8673 0.0000 H 0 0 0
- 0.3269 3.2822 0.0000 H 0 0 0
- 0.1189 1.9647 0.0000 H 0 0 0
- 3.3591 2.0516 0.0000 H 0 0 0
- 0.1260 -1.9680 0.0000 H 0 0 0
- 0.3371 -3.2845 0.0000 H 0 0 0
- 3.3661 -2.0432 0.0000 H 0 0 0
- 2.0670 2.2110 0.0000 H 0 0 0
- 2.0642 3.6212 0.0000 H 0 0 0
- 0.6540 3.6184 0.0000 H 0 0 0
- 4.4442 0.0063 0.0000 H 0 0 0
- 0.6647 -3.6205 0.0000 H 0 0 0
- 2.0750 -3.6214 0.0000 H 0 0 0
- 2.0759 -2.2111 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 1 0
- 12 7 2 0
- 13 9 1 0
- 14 10 2 0
- 15 11 1 0
- 12 14 1 0
- 1 16 1 0
- 4 17 1 0
- 4 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-90-04-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.5219 0.0258 0.0018 C 0 0 0
- 0.4527 -0.9697 0.0005 C 0 0 0
- -0.1455 1.3587 0.0016 C 0 0 0
- -1.8398 -0.3104 -0.0024 O 0 0 0
- 1.7953 -0.6208 -0.0010 C 0 0 0
- 0.0781 -2.3183 0.0011 N 0 0 0
- 1.1948 1.6991 0.0001 C 0 0 0
- -2.5782 0.9131 0.0002 C 0 0 0
- 2.1626 0.7117 -0.0012 C 0 0 0
- -0.8702 2.1029 0.0000 H 0 0 0
- 2.5244 -1.3607 0.0000 H 0 0 0
- -0.9277 -2.5780 0.0000 H 0 0 0
- 0.8059 -3.0595 0.0000 H 0 0 0
- 1.4752 2.6993 0.0000 H 0 0 0
- -1.6888 1.4498 0.0000 H 0 0 0
- -3.1149 1.8025 0.0000 H 0 0 0
- -3.4676 0.3764 0.0000 H 0 0 0
- 3.1682 0.9719 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-288-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 8 1 V2000
- 1.2468 -0.7084 0.0000 C 0 0 0
- 0.0553 -1.3587 0.0000 C 0 0 0
- 1.2412 0.6082 0.0000 N 0 0 0
- -1.0744 0.0259 0.0000 S 0 0 0
- 0.1181 1.2884 0.0000 C 0 0 0
- 2.1234 -1.2261 0.0000 H 0 0 0
- -0.1404 -2.3578 0.0000 H 0 0 0
- -0.0186 2.2972 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 2 0
- 4 5 1 0
- 1 6 1 0
- 2 7 1 0
- 5 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-594-71-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.1449 -0.5645 0.0000 C 0 0 0
- -1.0287 0.3124 0.0000 N 0 3 0
- 0.1218 -1.4475 1.2492 C 0 0 0
- 0.1218 -1.4475 -1.2492 C 0 0 0
- 1.6438 0.4375 0.0000 Cl 0 0 0
- -0.8852 1.5219 0.0000 O 0 0 0
- -2.1479 -0.1681 0.0000 O 0 5 0
- -0.7914 -1.4236 0.0000 H 0 0 0
- 0.0979 -2.3607 0.0000 H 0 0 0
- 1.0350 -1.4714 0.0000 H 0 0 0
- -0.7914 -1.4236 0.0000 H 0 0 0
- 0.0979 -2.3607 0.0000 H 0 0 0
- 1.0350 -1.4714 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-80-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.9577 -0.4518 0.0068 C 0 0 0
- 1.8798 -1.5039 0.0070 C 0 0 0
- 1.4118 0.8719 0.0030 C 0 0 0
- -0.3810 -0.7156 0.0046 N 0 0 0
- 3.2295 -1.2337 0.0035 C 0 0 0
- 2.7628 1.1338 -0.0005 C 0 0 0
- -1.2298 0.2558 0.0044 N 0 0 0
- 3.6773 0.0841 -0.0003 C 0 0 0
- -2.5711 -0.0085 0.0022 C 0 0 0
- 5.0434 0.3533 -0.0038 N 0 0 0
- -3.4935 1.0411 0.0020 C 0 0 0
- -3.0265 -1.3299 -0.0057 C 0 0 0
- 5.5168 1.7397 -0.0078 C 0 0 0
- 6.0074 -0.7499 -0.0036 C 0 0 0
- -4.8453 0.7667 -0.0007 C 0 0 0
- -4.3808 -1.5888 -0.0083 C 0 0 0
- -5.2886 -0.5440 -0.0032 C 0 0 0
- -5.8417 1.8973 -0.0005 C 0 0 0
- 1.5447 -2.4925 0.0000 H 0 0 0
- 0.7267 1.6595 0.0000 H 0 0 0
- 3.9181 -2.0182 0.0000 H 0 0 0
- 3.1024 2.1209 0.0000 H 0 0 0
- -3.1604 2.0304 0.0000 H 0 0 0
- -2.3430 -2.1189 0.0000 H 0 0 0
- 6.5047 1.4024 0.0000 H 0 0 0
- 5.8541 2.7276 0.0000 H 0 0 0
- 4.5289 2.0770 0.0000 H 0 0 0
- 5.2214 -1.4368 0.0000 H 0 0 0
- 6.6943 -1.5359 0.0000 H 0 0 0
- 6.7934 -0.0630 0.0000 H 0 0 0
- -4.7223 -2.5752 0.0000 H 0 0 0
- -6.3127 -0.7459 0.0000 H 0 0 0
- -5.0586 2.5875 0.0000 H 0 0 0
- -6.5319 2.6804 0.0000 H 0 0 0
- -6.6248 1.2071 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 2 0
- 15 18 1 0
- 6 8 1 0
- 16 17 1 0
- 2 19 1 0
- 3 20 1 0
- 5 21 1 0
- 6 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-34237-98-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.6652 -0.3278 0.4633 C 0 0 0
- -0.6652 0.3280 0.4634 C 0 0 0
- 1.7930 0.3815 0.0533 C 0 0 0
- 0.7904 -1.6528 0.8788 C 0 0 0
- -1.7933 -0.3815 0.0534 C 0 0 0
- -0.7903 1.6526 0.8788 C 0 0 0
- 3.0294 -0.2305 0.0544 C 0 0 0
- 2.0279 -2.2607 0.8785 C 0 0 0
- -3.0294 0.2302 0.0549 C 0 0 0
- -2.0281 2.2606 0.8788 C 0 0 0
- 3.1507 -1.5536 0.4648 C 0 0 0
- 4.5601 0.7306 -0.5016 Br 0 0 0
- -3.1506 1.5539 0.4649 C 0 0 0
- -4.5601 -0.7307 -0.5015 Br 0 0 0
- 4.4034 -2.1714 0.4658 N 0 0 0
- -4.4032 2.1720 0.4653 N 0 0 0
- 1.7404 1.4142 0.0000 H 0 0 0
- -0.0606 -2.2403 0.0000 H 0 0 0
- -1.7406 -1.4142 0.0000 H 0 0 0
- 0.0607 2.2400 0.0000 H 0 0 0
- 2.0824 -3.2933 0.0000 H 0 0 0
- -2.0825 3.2932 0.0000 H 0 0 0
- 4.4710 -3.2032 0.0000 H 0 0 0
- 5.2632 -1.5969 0.0000 H 0 0 0
- -4.4706 3.2039 0.0000 H 0 0 0
- -5.2631 1.5977 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 8 11 1 0
- 10 13 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-96-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 0.0000 0.3696 0.0000 O 0 0 0
- -1.1034 1.2216 -0.3140 C 0 0 0
- 1.1034 1.2216 0.3140 C 0 0 0
- -2.3244 0.3676 -0.6614 C 0 0 0
- 2.3244 0.3676 0.6614 C 0 0 0
- -2.6622 -0.4572 0.4556 O 0 0 0
- 2.6622 -0.4572 -0.4556 O 0 0 0
- -3.8035 -1.2263 0.0709 C 0 0 0
- 3.8035 -1.2264 -0.0709 C 0 0 0
- -0.3888 1.9757 0.0000 H 0 0 0
- -1.7816 2.0086 0.0000 H 0 0 0
- 1.7816 2.0086 0.0000 H 0 0 0
- 0.3888 1.9757 0.0000 H 0 0 0
- -2.6088 1.3668 0.0000 H 0 0 0
- -3.3617 0.4254 0.0000 H 0 0 0
- 3.3617 0.4254 0.0000 H 0 0 0
- 2.6088 1.3668 0.0000 H 0 0 0
- -4.3841 -0.3648 0.0000 H 0 0 0
- -4.6650 -1.8069 0.0000 H 0 0 0
- -3.2229 -2.0878 0.0000 H 0 0 0
- 3.2229 -2.0879 0.0000 H 0 0 0
- 4.6650 -1.8070 0.0000 H 0 0 0
- 4.3841 -0.3649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-600-14-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.3189 -0.1822 0.0729 C 0 0 0
- -1.1375 0.0945 -0.0358 C 0 0 0
- 1.3170 0.8175 -0.4520 C 0 0 0
- 0.7025 -1.2059 0.5865 O 0 0 0
- -2.0270 -0.8439 -0.8100 C 0 0 0
- -1.6081 1.0714 0.4964 O 0 0 0
- 2.7352 0.2933 -0.2178 C 0 0 0
- 1.8013 1.7091 0.0000 H 0 0 0
- 0.5038 1.4243 0.0000 H 0 0 0
- -2.7634 -0.1459 0.0000 H 0 0 0
- -2.7250 -1.5803 0.0000 H 0 0 0
- -1.2906 -1.5419 0.0000 H 0 0 0
- 2.3834 -0.6584 0.0000 H 0 0 0
- 3.6869 -0.0585 0.0000 H 0 0 0
- 3.0870 1.2450 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64099-27-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.1130 0.6783 0.0018 C 0 0 0
- -0.8056 -0.3937 0.0008 C 0 0 0
- 1.4975 0.2341 0.0007 C 0 0 0
- -0.4267 1.9856 -0.0017 C 0 0 0
- -2.1747 -0.1850 0.0019 C 0 0 0
- 0.2490 -1.8178 -0.0015 S 0 0 0
- 1.7689 -1.0380 -0.0011 N 0 0 0
- 2.5053 1.1456 0.0020 O 0 0 0
- -1.7722 2.1796 -0.0060 C 0 0 0
- -2.6620 1.1125 0.0042 C 0 0 0
- -3.0553 -1.2708 0.0004 N 0 0 0
- 3.7292 0.4081 0.0004 C 0 0 0
- 0.2172 2.8131 0.0000 H 0 0 0
- -2.1477 3.1586 0.0000 H 0 0 0
- -3.6958 1.2877 0.0000 H 0 0 0
- -4.0908 -1.1060 0.0000 H 0 0 0
- -2.6803 -2.2499 0.0000 H 0 0 0
- 3.1880 -0.4900 0.0000 H 0 0 0
- 4.6273 -0.1331 0.0000 H 0 0 0
- 4.2704 1.3062 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 8 12 1 0
- 6 7 1 0
- 9 10 1 0
- 4 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31272-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.1455 0.3896 -0.0885 C 0 0 0
- -0.2220 0.8578 0.1603 C 0 0 0
- 2.0467 -0.0869 0.8642 C 0 0 0
- 1.8007 0.3292 -1.3418 C 0 0 0
- -1.3574 -0.0804 0.0404 C 0 0 0
- -0.4217 2.0190 0.4656 O 0 0 0
- 3.1812 -0.4084 0.2098 N 0 0 0
- 1.8203 -0.2061 2.2191 N 0 0 0
- 3.0004 -0.1411 -1.1513 N 0 0 0
- 1.2118 0.7375 -2.6675 C 0 0 0
- -2.6707 0.3877 0.1527 C 0 0 0
- -1.1248 -1.4374 -0.1913 C 0 0 0
- 4.3975 -0.9499 0.8212 C 0 0 0
- -3.7271 -0.4970 0.0387 C 0 0 0
- -2.9062 1.6997 0.3723 F 0 0 0
- -2.1888 -2.3075 -0.3027 C 0 0 0
- -3.4864 -1.8399 -0.1855 C 0 0 0
- 0.9751 0.3268 0.0000 H 0 0 0
- 1.7814 -1.2045 0.0000 H 0 0 0
- 1.7811 1.5586 0.0000 H 0 0 0
- 0.3907 1.3068 0.0000 H 0 0 0
- 0.6425 -0.0836 0.0000 H 0 0 0
- -0.1889 -1.7873 0.0000 H 0 0 0
- 3.9911 -1.8627 0.0000 H 0 0 0
- 5.3103 -1.3563 0.0000 H 0 0 0
- 4.8039 -0.0371 0.0000 H 0 0 0
- -4.6663 -0.1562 0.0000 H 0 0 0
- -2.0200 -3.2923 0.0000 H 0 0 0
- -4.2498 -2.4844 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 7 13 1 0
- 11 14 2 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 7 9 1 0
- 16 17 2 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68395-77-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.8105 -0.4406 -0.0024 C 0 0 0
- -0.2364 -1.3539 -0.0014 C 0 0 0
- 0.5395 0.9217 -0.0018 C 0 0 0
- 2.1326 -0.8912 0.0017 N 0 0 0
- -1.5422 -0.9050 0.0002 C 0 0 0
- -0.7691 1.3639 -0.0002 C 0 0 0
- 3.1983 0.0411 0.0007 O 0 0 0
- -1.8085 0.4522 0.0004 C 0 0 0
- -2.6784 -1.8950 0.0012 C 0 0 0
- -1.0641 2.8417 0.0010 C 0 0 0
- -0.0365 -2.3764 0.0000 H 0 0 0
- 1.3223 1.6092 0.0000 H 0 0 0
- 2.3346 -1.9133 0.0000 H 0 0 0
- 3.9824 0.7271 0.0000 H 0 0 0
- -2.7946 0.7883 0.0000 H 0 0 0
- -3.3628 -1.1095 0.0000 H 0 0 0
- -3.4639 -2.5794 0.0000 H 0 0 0
- -1.9940 -2.6805 0.0000 H 0 0 0
- -0.0424 3.0457 0.0000 H 0 0 0
- -1.2681 3.8634 0.0000 H 0 0 0
- -2.0858 2.6377 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1562-94-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 1.7617 0.3866 -0.0483 C 0 0 0
- 0.4583 0.5780 -0.0994 N 0 3 0
- 2.6772 1.5397 0.0532 C 0 0 0
- 2.3122 -0.9820 -0.0859 C 0 0 0
- -0.4076 -0.5192 -0.1957 N 0 0 0
- 0.0069 1.7087 -0.0630 O 0 5 0
- 4.0093 1.3356 0.1055 C 0 0 0
- 3.6470 -1.1696 -0.0327 C 0 0 0
- -1.7914 -0.3279 -0.1123 C 0 0 0
- 4.5468 -0.0225 0.0621 C 0 0 0
- -2.3143 0.9583 -0.0796 C 0 0 0
- -2.6427 -1.4238 -0.0681 C 0 0 0
- 5.8746 -0.2175 0.1146 O 0 0 0
- -3.6799 1.1462 0.0021 C 0 0 0
- -4.0084 -1.2340 0.0137 C 0 0 0
- 6.4126 -1.5655 0.0717 C 0 0 0
- -4.5294 0.0507 0.0516 C 0 0 0
- -5.8742 0.2366 0.1322 O 0 0 0
- -6.4694 -1.0621 0.1662 C 0 0 0
- 2.2973 2.5081 0.0000 H 0 0 0
- 1.6711 -1.8012 0.0000 H 0 0 0
- 4.6577 2.1490 0.0000 H 0 0 0
- 4.0358 -2.1345 0.0000 H 0 0 0
- -1.6759 1.7797 0.0000 H 0 0 0
- -2.2509 -2.3875 0.0000 H 0 0 0
- -4.0727 2.1094 0.0000 H 0 0 0
- -4.6477 -2.0546 0.0000 H 0 0 0
- 5.4464 -1.9511 0.0000 H 0 0 0
- 6.7982 -2.5317 0.0000 H 0 0 0
- 7.3788 -1.1799 0.0000 H 0 0 0
- -7.4151 -0.6287 0.0000 H 0 0 0
- -6.9028 -2.0078 0.0000 H 0 0 0
- -5.5237 -1.4955 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 8 10 2 0
- 15 17 2 0
- 3 20 1 0
- 4 21 1 0
- 7 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-605-71-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.6397 -0.3050 -0.0018 C 0 0 0
- -0.6396 0.3056 -0.0010 C 0 0 0
- 1.7888 0.5033 -0.0005 C 0 0 0
- 0.7338 -1.7073 0.0018 C 0 0 0
- -1.7889 -0.5033 -0.0019 C 0 0 0
- -0.7336 1.7074 0.0011 C 0 0 0
- 1.6591 1.8584 0.0016 C 0 0 0
- 3.1336 -0.1153 -0.0009 N 0 3 0
- -0.4011 -2.4583 0.0061 C 0 0 0
- -1.6590 -1.8580 -0.0035 C 0 0 0
- -3.1339 0.1150 -0.0005 N 0 3 0
- 0.4016 2.4586 0.0024 C 0 0 0
- 3.9890 0.2864 0.7676 O 0 0 0
- 3.3848 -1.0260 -0.7696 O 0 5 0
- -3.9888 -0.2881 0.7676 O 0 0 0
- -3.3856 1.0270 -0.7676 O 0 5 0
- 1.6704 -2.1709 0.0000 H 0 0 0
- -1.6702 2.1710 0.0000 H 0 0 0
- 2.5154 2.4575 0.0000 H 0 0 0
- -0.3284 -3.5008 0.0000 H 0 0 0
- -2.5152 -2.4572 0.0000 H 0 0 0
- 0.3289 3.5011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 8 14 1 0
- 11 15 2 0
- 11 16 1 0
- 7 12 2 0
- 9 10 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14618-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -3.2246 0.0584 0.6449 C 0 0 2
- -4.6089 -0.4138 0.1960 C 0 0 0
- -4.0978 0.8793 -0.1334 O 0 0 0
- -2.1571 -0.5550 -0.2635 C 0 0 0
- -0.8642 -0.1139 0.1558 O 0 0 0
- 0.0843 -0.7174 -0.7264 C 0 0 0
- 1.4758 -0.2902 -0.3363 C 0 0 0
- 2.4123 -1.2384 0.0317 C 0 0 0
- 1.8175 1.0489 -0.3517 C 0 0 0
- 3.6885 -0.8466 0.3896 C 0 0 0
- 3.0941 1.4408 0.0062 C 0 0 0
- 4.0286 0.4934 0.3796 C 0 0 0
- -2.6281 0.8629 0.0000 H 0 0 0
- -5.6005 -0.2727 0.0000 H 0 0 0
- -4.5152 -1.4110 0.0000 H 0 0 0
- -2.8483 -1.2798 0.0000 H 0 0 0
- -1.6175 -1.3988 0.0000 H 0 0 0
- -0.6356 -1.4137 0.0000 H 0 0 0
- 0.5935 -1.5799 0.0000 H 0 0 0
- 2.1676 -2.2096 0.0000 H 0 0 0
- 1.0925 1.7399 0.0000 H 0 0 0
- 4.4139 -1.5371 0.0000 H 0 0 0
- 3.3392 2.4119 0.0000 H 0 0 0
- 4.9952 0.7557 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 2 0
- 9 11 1 0
- 10 12 1 0
- 2 3 1 0
- 11 12 2 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14160-38-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 47 1 V2000
- 0.6761 -0.2907 0.3233 C 0 0 0
- -0.6761 0.2906 0.3235 C 0 0 0
- 1.8387 0.5242 -0.1130 C 0 0 0
- 0.8678 -1.5750 0.7281 C 0 0 0
- -1.8387 -0.5243 -0.1129 C 0 0 0
- -0.8678 1.5747 0.7285 C 0 0 0
- 3.1913 -0.0653 -0.1099 C 0 0 0
- 1.6763 1.6725 -0.4717 O 0 0 0
- 2.2224 -2.1487 0.7256 C 0 0 0
- -3.1913 0.0655 -0.1100 C 0 0 0
- -1.6766 -1.6729 -0.4706 O 0 0 0
- -2.2222 2.1486 0.7258 C 0 0 0
- 3.3724 -1.3334 0.2854 C 0 0 0
- 4.3720 0.7599 -0.5528 C 0 0 0
- 2.3955 -3.2959 1.0873 O 0 0 0
- -3.3722 1.3336 0.2852 C 0 0 0
- -4.3720 -0.7597 -0.5529 C 0 0 0
- -2.3954 3.2958 1.0877 O 0 0 0
- 5.6607 0.1378 -0.0115 C 0 0 0
- 4.4253 0.7945 -2.0814 C 0 0 0
- 4.2285 2.1850 -0.0150 C 0 0 0
- -5.5306 0.1672 -0.9262 C 0 0 0
- -3.9791 -1.6004 -1.7693 C 0 0 0
- -4.8050 -1.6835 0.5872 C 0 0 0
- 0.0320 -2.2225 0.0000 H 0 0 0
- -0.0320 2.2222 0.0000 H 0 0 0
- 4.3437 -1.7511 0.0000 H 0 0 0
- -4.3434 1.7514 0.0000 H 0 0 0
- 5.2011 -0.8143 0.0000 H 0 0 0
- 6.6128 -0.3218 0.0000 H 0 0 0
- 6.1203 1.0899 0.0000 H 0 0 0
- 5.0010 -0.0923 0.0000 H 0 0 0
- 5.3121 1.3702 0.0000 H 0 0 0
- 3.8496 1.6813 0.0000 H 0 0 0
- 5.2804 2.2909 0.0000 H 0 0 0
- 4.1226 3.2369 0.0000 H 0 0 0
- 3.1766 2.0791 0.0000 H 0 0 0
- -4.8701 0.9928 0.0000 H 0 0 0
- -6.3562 0.8277 0.0000 H 0 0 0
- -6.1911 -0.6584 0.0000 H 0 0 0
- -4.9369 -2.0480 0.0000 H 0 0 0
- -3.5315 -2.5582 0.0000 H 0 0 0
- -3.0213 -1.1528 0.0000 H 0 0 0
- -5.7623 -1.2348 0.0000 H 0 0 0
- -5.2537 -2.6408 0.0000 H 0 0 0
- -3.8477 -2.1322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 7 14 1 0
- 9 15 2 0
- 10 16 2 0
- 10 17 1 0
- 12 18 2 0
- 14 19 1 0
- 14 20 1 0
- 14 21 1 0
- 17 22 1 0
- 17 23 1 0
- 17 24 1 0
- 9 13 1 0
- 12 16 1 0
- 4 25 1 0
- 6 26 1 0
- 13 27 1 0
- 16 28 1 0
- 19 29 1 0
- 19 30 1 0
- 19 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
- 24 44 1 0
- 24 45 1 0
- 24 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4399-80-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -2.2443 -1.3413 -0.1248 O 0 0 0
- -1.2912 -0.4699 0.5628 N 0 0 0
- 0.0558 -0.9142 0.1602 C 0 0 0
- -1.5118 0.8959 0.0416 C 0 0 0
- 0.8919 -1.2318 1.4016 C 0 0 0
- -0.0493 -2.1557 -0.7278 C 0 0 0
- 0.7034 0.2448 -0.6265 C 0 0 0
- -2.2400 0.8418 -1.3030 C 0 0 0
- -2.3121 1.7267 1.0466 C 0 0 0
- -0.0905 1.4851 -0.1383 C 0 0 0
- 2.1483 0.3816 -0.2207 C 0 0 0
- 2.6723 1.6028 0.0043 N 0 0 0
- 2.8396 -0.6071 -0.0967 O 0 0 0
- -2.9792 -2.0132 0.0000 H 0 0 0
- 0.5383 -2.1626 0.0000 H 0 0 0
- 1.8227 -1.5854 0.0000 H 0 0 0
- 1.2455 -0.3010 0.0000 H 0 0 0
- -1.0415 -2.0717 0.0000 H 0 0 0
- -0.1333 -3.1479 0.0000 H 0 0 0
- 0.9429 -2.2397 0.0000 H 0 0 0
- 1.2473 -0.5893 0.0000 H 0 0 0
- -2.3138 1.8348 0.0000 H 0 0 0
- -3.2330 0.7680 0.0000 H 0 0 0
- -2.1662 -0.1512 0.0000 H 0 0 0
- -1.5950 2.4175 0.0000 H 0 0 0
- -3.0029 2.4438 0.0000 H 0 0 0
- -3.0292 1.0359 0.0000 H 0 0 0
- 0.7782 1.9717 0.0000 H 0 0 0
- -0.5252 2.3809 0.0000 H 0 0 0
- 3.6611 1.7203 0.0000 H 0 0 0
- 2.0762 2.4004 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 7 1 0
- 12 11 1 0
- 13 11 2 0
- 7 10 1 0
- 1 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 12 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139953-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 46 1 V2000
- 6.1201 -0.0047 0.0834 C 0 0 0
- 4.9451 -0.9159 0.3285 C 0 0 0
- 6.6678 0.7139 1.1299 C 0 0 0
- 6.6539 0.1082 -1.1865 C 0 0 0
- 3.6443 -0.1339 0.1353 C 0 0 0
- 4.9870 -2.0061 -0.5945 O 0 0 0
- 7.7454 1.5496 0.9050 C 0 0 0
- 7.7319 0.9442 -1.4114 C 0 0 0
- 2.5301 -0.9979 0.3678 O 0 0 0
- 8.2757 1.6670 -0.3664 C 0 0 0
- 1.4144 -0.2554 0.1835 C 0 0 0
- 0.2011 -0.8150 0.3377 C 0 0 0
- -0.9652 -0.0389 0.1450 C 0 0 0
- -2.1910 -0.6042 0.3009 C 0 0 0
- -3.3520 0.1684 0.1091 C 0 0 0
- -4.5795 -0.3977 0.2651 C 0 0 0
- -5.7413 0.3754 0.0732 C 0 0 0
- -6.9653 -0.1891 0.2288 C 0 0 0
- -8.1705 0.6130 0.0297 C 0 0 0
- -9.3754 0.0573 0.1828 C 0 0 0
- -10.6183 0.8844 -0.0225 C 0 0 0
- -11.4557 0.2756 -1.1489 C 0 0 0
- 5.8633 -1.3441 0.0000 H 0 0 0
- 5.9484 1.4273 0.0000 H 0 0 0
- 7.0799 -0.8110 0.0000 H 0 0 0
- 4.2691 0.6636 0.0000 H 0 0 0
- 2.9297 0.5843 0.0000 H 0 0 0
- 5.0259 -3.0185 0.0000 H 0 0 0
- 7.3150 2.4667 0.0000 H 0 0 0
- 8.4535 0.2331 0.0000 H 0 0 0
- 9.1276 2.2153 0.0000 H 0 0 0
- 1.4929 0.7547 0.0000 H 0 0 0
- 0.1227 -1.8251 0.0000 H 0 0 0
- -0.8867 0.9712 0.0000 H 0 0 0
- -2.2695 -1.6143 0.0000 H 0 0 0
- -3.2735 1.1785 0.0000 H 0 0 0
- -4.6580 -1.4078 0.0000 H 0 0 0
- -5.6628 1.3855 0.0000 H 0 0 0
- -7.0438 -1.1992 0.0000 H 0 0 0
- -8.0920 1.6231 0.0000 H 0 0 0
- -9.4539 -0.9528 0.0000 H 0 0 0
- -9.9614 1.6557 0.0000 H 0 0 0
- -11.3066 1.6278 0.0000 H 0 0 0
- -12.0514 1.0950 0.0000 H 0 0 0
- -12.2751 -0.3201 0.0000 H 0 0 0
- -10.8600 -0.5438 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 11 12 2 0
- 12 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 18 19 1 0
- 19 20 2 0
- 20 21 1 0
- 21 22 1 0
- 8 10 2 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 5 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 19 40 1 0
- 20 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-81-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -0.7998 -0.5562 -0.0035 C 0 0 0
- -1.8672 -1.4418 -0.0016 C 0 0 0
- -1.0352 0.8112 -0.0034 C 0 0 0
- 0.4752 -1.0271 0.0001 O 0 0 0
- -3.1625 -0.9611 0.0005 C 0 0 0
- -1.6143 -2.9274 -0.0012 C 0 0 0
- -2.3315 1.2878 -0.0013 C 0 0 0
- 1.3367 0.1130 -0.0032 C 0 0 0
- -3.3952 0.4026 0.0006 C 0 0 0
- 2.7950 -0.3497 0.0007 C 0 0 0
- -5.0237 1.0042 0.0026 Cl 0 0 0
- 3.7174 0.8710 -0.0028 C 0 0 0
- 5.1538 0.4152 0.0010 C 0 0 0
- 6.1451 1.3202 -0.0012 O 0 0 0
- 5.4132 -0.7649 0.0060 O 0 0 0
- -0.2359 1.4769 0.0000 H 0 0 0
- -3.9633 -1.6250 0.0000 H 0 0 0
- -2.6398 -3.1020 0.0000 H 0 0 0
- -1.4397 -3.9529 0.0000 H 0 0 0
- -0.5888 -2.7528 0.0000 H 0 0 0
- -2.5084 2.3129 0.0000 H 0 0 0
- 1.7614 1.0626 0.0000 H 0 0 0
- 0.4412 0.6423 0.0000 H 0 0 0
- 2.3703 -1.2993 0.0000 H 0 0 0
- 3.6905 -0.8790 0.0000 H 0 0 0
- 4.1421 1.8206 0.0000 H 0 0 0
- 2.8219 1.4003 0.0000 H 0 0 0
- 6.9133 2.0215 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 9 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70786-65-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.3369 -0.1327 -0.2728 C 0 0 0
- -1.0394 -0.0341 -0.5054 N 0 0 0
- 1.0507 0.9772 0.1592 C 0 0 0
- 0.9908 -1.3424 -0.4681 C 0 0 0
- -1.9113 -0.2996 0.4875 C 0 0 0
- -1.5161 0.3446 -1.7838 O 0 0 0
- 2.4093 0.8766 0.3878 C 0 0 0
- 0.3442 2.2902 0.3780 C 0 0 0
- 2.3491 -1.4364 -0.2378 C 0 0 0
- -3.3935 -0.1934 0.2370 C 0 0 0
- -1.5030 -0.6239 1.5825 O 0 0 0
- 3.0583 -0.3276 0.1869 C 0 0 0
- 0.4377 -2.2012 0.0000 H 0 0 0
- -2.3159 0.9800 0.0000 H 0 0 0
- 2.9650 1.7337 0.0000 H 0 0 0
- 1.2437 2.7742 0.0000 H 0 0 0
- -0.1398 3.1897 0.0000 H 0 0 0
- -0.5553 1.8062 0.0000 H 0 0 0
- 2.8084 -2.3488 0.0000 H 0 0 0
- -3.3205 0.8254 0.0000 H 0 0 0
- -4.4123 -0.1204 0.0000 H 0 0 0
- -3.4665 -1.2122 0.0000 H 0 0 0
- 4.0790 -0.3658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 7 12 2 0
- 9 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-28-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.6683 -0.2219 0.3815 C 0 0 0
- -3.6905 0.4929 -0.2397 C 0 0 0
- -1.3789 0.3200 0.4587 N 0 0 0
- -2.9323 -1.4689 0.9282 C 0 0 0
- -4.9634 -0.0479 -0.3131 C 0 0 0
- -3.4390 1.7186 -0.7721 O 0 0 0
- -0.3244 -0.3817 -0.0018 C 0 0 0
- -4.2070 -1.9991 0.8558 C 0 0 0
- -5.2178 -1.2944 0.2293 C 0 0 0
- -4.6689 2.1876 -1.3284 C 0 0 0
- 1.0418 0.1296 0.1938 C 0 0 0
- -0.5018 -1.4377 -0.5792 O 0 0 0
- 2.1922 -0.5945 -0.2855 C 0 0 0
- 1.2777 1.3260 0.8389 C 0 0 0
- 3.4012 -0.0444 -0.0585 C 0 0 0
- 3.0035 1.4623 0.8041 S 0 0 0
- 4.7347 -0.5648 -0.4355 N 0 3 0
- 5.7373 0.0654 -0.1504 O 0 0 0
- 4.8295 -1.6232 -1.0308 O 0 5 0
- -1.2871 1.2872 0.0000 H 0 0 0
- -2.1846 -2.0893 0.0000 H 0 0 0
- -5.7157 0.5669 0.0000 H 0 0 0
- -4.3111 -2.9651 0.0000 H 0 0 0
- -6.1200 -1.6551 0.0000 H 0 0 0
- -4.3227 3.0954 0.0000 H 0 0 0
- -5.5767 2.5338 0.0000 H 0 0 0
- -5.0151 1.2798 0.0000 H 0 0 0
- 2.1268 -1.5639 0.0000 H 0 0 0
- 0.6316 2.0516 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 11 13 1 0
- 11 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 9 2 0
- 15 16 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- 1.1016 -0.0927 -0.0017 C 0 0 0
- 0.0000 -0.8720 -0.0012 O 0 0 0
- 0.6721 1.3212 -0.0006 C 0 0 0
- 2.2497 -0.4862 0.0016 O 0 0 0
- -1.1016 -0.0927 0.0001 C 0 0 0
- -0.6721 1.3213 0.0005 C 0 0 0
- -2.2497 -0.4861 0.0008 O 0 0 0
- 1.2748 2.1342 0.0000 H 0 0 0
- -1.2748 2.1343 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 6 1 0
- 3 8 1 0
- 6 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-113826-06-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.0327 -0.4565 -0.0419 C 0 0 0
- -0.4332 -1.4334 -0.0829 S 0 0 0
- 1.6452 -0.1795 1.1662 C 0 0 0
- 1.5733 0.0281 -1.2180 C 0 0 0
- -1.5045 -0.6790 0.6916 O 0 0 0
- -0.8617 -1.4299 -1.4377 O 0 0 0
- -0.1457 -2.5934 0.6859 O 0 0 0
- 2.7950 0.5868 1.1984 C 0 0 0
- 2.7235 0.7946 -1.1858 C 0 0 0
- -1.7911 0.5085 -0.0499 C 0 0 0
- 3.3326 1.0763 0.0224 C 0 0 0
- -2.8667 1.3171 0.6783 C 0 0 1
- 4.5863 1.9118 0.0575 C 0 0 0
- -3.1735 2.5886 -0.1156 C 0 0 0
- -4.0194 1.4376 -0.1576 O 0 0 0
- 2.1052 -1.0091 0.0000 H 0 0 0
- 0.9922 0.7779 0.0000 H 0 0 0
- 3.3790 -0.1607 0.0000 H 0 0 0
- 2.2600 1.6222 0.0000 H 0 0 0
- -0.8440 0.4545 0.0000 H 0 0 0
- -1.4651 1.3993 0.0000 H 0 0 0
- -3.2136 0.4342 0.0000 H 0 0 0
- 5.1124 1.1224 0.0000 H 0 0 0
- 5.3757 2.4379 0.0000 H 0 0 0
- 4.0602 2.7012 0.0000 H 0 0 0
- -2.3278 3.0184 0.0000 H 0 0 0
- -3.7872 3.3119 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 12 10 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 1 0
- 9 11 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- 0.9549 -0.1329 0.0216 C 0 0 0
- -0.3654 -0.8200 -0.3325 C 0 0 0
- 2.1230 -0.9786 -0.4894 C 0 0 0
- 1.0017 1.2496 -0.6322 C 0 0 0
- -1.5336 0.0256 0.1785 C 0 0 0
- 2.9523 -1.4730 0.6975 C 0 0 0
- 1.4942 2.2346 0.3401 N 0 0 0
- -2.8539 -0.6615 -0.1756 C 0 0 0
- -4.0221 0.1841 0.3354 C 0 0 0
- 1.9264 0.3426 0.0000 H 0 0 0
- -1.1271 -1.5879 0.0000 H 0 0 0
- 0.2759 -1.6910 0.0000 H 0 0 0
- 1.1492 -1.4493 0.0000 H 0 0 0
- 2.0758 -2.0592 0.0000 H 0 0 0
- 0.2830 2.0579 0.0000 H 0 0 0
- -0.0156 0.8823 0.0000 H 0 0 0
- -0.7719 0.7935 0.0000 H 0 0 0
- -2.1749 0.8966 0.0000 H 0 0 0
- 2.3984 -2.4020 0.0000 H 0 0 0
- 3.8813 -2.0269 0.0000 H 0 0 0
- 3.5062 -0.5440 0.0000 H 0 0 0
- 2.5738 2.2994 0.0000 H 0 0 0
- 0.8983 3.1372 0.0000 H 0 0 0
- -3.6156 -1.4294 0.0000 H 0 0 0
- -2.2126 -1.5325 0.0000 H 0 0 0
- -3.3879 1.0602 0.0000 H 0 0 0
- -4.8982 0.8183 0.0000 H 0 0 0
- -4.6563 -0.6920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-27-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.7901 0.4162 0.0033 C 0 0 0
- -1.1569 -0.9215 0.0017 C 0 0 0
- 0.5469 0.7648 0.0028 C 0 0 0
- -1.8302 1.4694 -0.0005 N 0 3 0
- -0.1795 -1.9064 -0.0005 C 0 0 0
- -2.4712 -1.2669 0.0017 O 0 0 0
- 1.5187 -0.2184 0.0006 C 0 0 0
- -1.5075 2.6439 0.0010 O 0 0 0
- -3.0086 1.1616 -0.0051 O 0 5 0
- 1.1557 -1.5528 -0.0011 C 0 0 0
- -2.5230 -2.6950 -0.0002 C 0 0 0
- 2.9503 0.1578 -0.0004 N 0 3 0
- 3.8074 -0.7076 -0.0024 O 0 0 0
- 3.2712 1.3328 0.0006 O 0 5 0
- 0.8215 1.7643 0.0000 H 0 0 0
- -0.4511 -2.9067 0.0000 H 0 0 0
- 1.8862 -2.2882 0.0000 H 0 0 0
- -3.5589 -2.6574 0.0000 H 0 0 0
- -2.5606 -3.7309 0.0000 H 0 0 0
- -1.4871 -2.7326 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 1 0
- 3 15 1 0
- 5 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68302-57-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -0.8669 0.3515 0.3117 C 0 0 0
- -0.7793 -1.0516 0.2513 C 0 0 0
- 0.3800 1.1193 0.5168 C 0 0 0
- -2.0887 1.0013 0.1652 C 0 0 0
- 0.3561 -1.7246 0.4496 O 0 0 0
- -1.8884 -1.7509 0.0038 N 0 0 0
- 1.6122 0.3305 0.2792 C 0 0 0
- 0.3932 2.2901 0.8495 O 0 0 0
- -3.2226 0.2199 -0.0728 C 0 0 0
- 1.5018 -1.0662 0.2475 C 0 0 0
- -3.0663 -1.1794 -0.1579 C 0 0 0
- 2.8376 0.9633 0.0896 C 0 0 0
- -4.5474 0.8417 -0.2304 C 0 0 0
- 2.6605 -1.8078 -0.0041 C 0 0 0
- -4.1676 -1.9662 -0.4160 N 0 0 0
- 3.9652 0.2067 -0.1480 C 0 0 0
- -4.8067 1.6121 -1.3055 O 0 0 0
- -5.4075 0.6604 0.6090 O 0 0 0
- 3.8671 -1.1758 -0.1977 C 0 0 0
- 5.2983 0.8788 -0.3534 C 0 0 0
- 6.2802 0.4024 0.7189 C 0 0 0
- 5.8420 0.5208 -1.7380 C 0 0 0
- -2.1475 2.0263 0.0000 H 0 0 0
- 2.8962 1.9883 0.0000 H 0 0 0
- 2.6159 -2.8335 0.0000 H 0 0 0
- -5.1022 -1.5411 0.0000 H 0 0 0
- -4.0684 -2.9881 0.0000 H 0 0 0
- -5.1342 2.5851 0.0000 H 0 0 0
- 4.7261 -1.7381 0.0000 H 0 0 0
- 5.2905 1.9054 0.0000 H 0 0 0
- 5.8320 -0.5213 0.0000 H 0 0 0
- 7.2039 -0.0458 0.0000 H 0 0 0
- 6.7284 1.3261 0.0000 H 0 0 0
- 5.2774 -0.3367 0.0000 H 0 0 0
- 6.6995 -0.0438 0.0000 H 0 0 0
- 6.4066 1.3783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 13 18 2 0
- 14 19 2 0
- 16 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 10 2 0
- 9 11 2 0
- 16 19 1 0
- 4 23 1 0
- 12 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23031-38-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- 3.5308 0.2798 0.1154 C 0 0 0
- 2.2443 -0.0577 -0.6408 C 0 0 0
- 2.8279 -1.0569 0.3601 C 0 0 0
- 4.7165 0.0656 -0.7898 C 0 0 0
- 1.0847 0.6678 -0.0083 C 0 0 0
- 3.4894 -2.3164 -0.2030 C 0 0 0
- 2.0935 -1.2358 1.6903 C 0 0 0
- 5.9210 0.3702 -0.3746 C 0 0 0
- -0.1590 0.1772 -0.1266 O 0 0 0
- 1.2747 1.6912 0.6054 O 0 0 0
- 6.1210 0.9349 1.0082 C 0 0 0
- 7.1067 0.1560 -1.2798 C 0 0 0
- -1.2763 0.8762 0.4829 C 0 0 0
- -2.5518 0.1234 0.2047 C 0 0 0
- -3.6191 0.6030 -0.4545 O 0 0 0
- -2.8123 -1.1448 0.5697 C 0 0 0
- -4.5707 -0.3428 -0.5143 C 0 0 0
- -4.1147 -1.4445 0.1083 C 0 0 0
- -5.9194 -0.1958 -1.1704 C 0 0 0
- -6.8905 0.3117 -0.1874 C 0 0 0
- -7.6650 0.7165 0.5965 C 0 0 0
- 3.4938 1.2305 0.0000 H 0 0 0
- 1.5614 -0.7201 0.0000 H 0 0 0
- 4.7493 -0.8852 0.0000 H 0 0 0
- 2.6471 -2.7588 0.0000 H 0 0 0
- 3.9318 -3.1587 0.0000 H 0 0 0
- 4.3317 -1.8740 0.0000 H 0 0 0
- 1.8683 -0.3114 0.0000 H 0 0 0
- 1.1691 -1.4610 0.0000 H 0 0 0
- 2.3187 -2.1602 0.0000 H 0 0 0
- 7.0178 0.6173 0.0000 H 0 0 0
- 6.4386 1.8317 0.0000 H 0 0 0
- 5.2242 1.2525 0.0000 H 0 0 0
- 6.9376 -0.7803 0.0000 H 0 0 0
- 8.0430 -0.0131 0.0000 H 0 0 0
- 7.2758 1.0923 0.0000 H 0 0 0
- -0.6500 1.5924 0.0000 H 0 0 0
- -1.8839 1.6083 0.0000 H 0 0 0
- -2.1317 -1.8096 0.0000 H 0 0 0
- -4.5507 -2.2901 0.0000 H 0 0 0
- -6.6532 -0.8014 0.0000 H 0 0 0
- -5.6467 -1.1073 0.0000 H 0 0 0
- -8.5082 1.1572 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 3 0
- 2 3 1 0
- 17 18 2 0
- 1 22 1 0
- 2 23 1 0
- 4 24 1 0
- 6 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 7 30 1 0
- 11 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 16 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77439-76-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0100 0.0961 -0.1163 C 0 0 0
- -1.2320 -0.4133 0.0230 C 0 0 0
- -0.1790 1.5567 -0.4636 C 0 0 0
- 1.2936 -0.6420 0.0477 C 0 0 0
- -2.2292 0.6354 -0.2140 C 0 0 0
- -1.5898 -2.0642 0.4233 Cl 0 0 0
- -1.6136 1.7977 -0.5009 O 0 0 0
- 0.4126 2.3609 0.5588 O 0 0 0
- 2.2222 -0.5720 -1.4962 Cl 0 0 0
- 2.2574 0.1256 1.3640 Cl 0 0 0
- -3.4331 0.4784 -0.1600 O 0 0 0
- 0.7807 1.3019 0.0000 H 0 0 0
- 1.0769 -1.6110 0.0000 H 0 0 0
- 1.0010 3.1607 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 7 1 0
- 3 12 1 0
- 4 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-56-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 2.2354 0.0000 -0.0005 C 0 0 0
- 0.7284 0.0000 -0.0010 C 0 0 0
- 2.7018 1.3190 -0.0036 F 0 0 0
- 2.7014 -0.6568 1.1435 F 0 0 0
- 2.7021 -0.6623 -1.1410 F 0 0 0
- 0.0376 -1.1972 0.0017 C 0 0 0
- 0.0374 1.1975 0.0017 C 0 0 0
- -1.3447 -1.1979 0.0017 C 0 0 0
- -1.3445 1.1981 0.0017 C 0 0 0
- -2.0367 -0.0001 -0.0009 C 0 0 0
- -3.7727 -0.0001 -0.0009 Cl 0 0 0
- 0.5564 -2.0950 0.0000 H 0 0 0
- 0.5562 2.0953 0.0000 H 0 0 0
- -1.8628 -2.0961 0.0000 H 0 0 0
- -1.8626 2.0963 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 9 10 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-144-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -1.6453 -0.4000 0.0739 C 0 0 0
- -0.6506 -1.8449 0.2400 S 0 0 0
- -2.5414 -0.2962 -0.9740 C 0 0 0
- -1.5320 0.6253 0.9952 C 0 0 0
- 0.7491 -1.5822 -0.6051 N 0 0 0
- -0.2714 -1.8973 1.6084 O 0 0 0
- -1.3391 -2.8704 -0.4626 O 0 0 0
- -3.3226 0.8351 -1.1071 C 0 0 0
- -2.3100 1.7590 0.8680 C 0 0 0
- 1.5789 -0.5254 -0.2611 C 0 0 0
- -3.2073 1.8690 -0.1870 C 0 0 0
- 3.1325 0.0007 -0.9792 S 0 0 0
- 1.4464 0.3892 0.6904 N 0 0 0
- -3.9954 3.0146 -0.3189 N 0 0 0
- 3.3894 1.3889 0.1221 C 0 0 0
- 2.3077 1.2932 0.8681 N 0 0 0
- 4.5183 2.3857 0.1766 C 0 0 0
- -3.0419 -1.1295 0.0000 H 0 0 0
- -0.5891 0.8617 0.0000 H 0 0 0
- 1.2533 -2.4133 0.0000 H 0 0 0
- -4.2653 0.5978 0.0000 H 0 0 0
- -1.8055 2.5899 0.0000 H 0 0 0
- -3.5773 3.8922 0.0000 H 0 0 0
- -4.9645 2.9379 0.0000 H 0 0 0
- 5.1617 1.6570 0.0000 H 0 0 0
- 5.2470 3.0291 0.0000 H 0 0 0
- 3.8749 3.1144 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 15 17 1 0
- 9 11 1 0
- 15 16 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 8 21 1 0
- 9 22 1 0
- 14 23 1 0
- 14 24 1 0
- 17 25 1 0
- 17 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38914-96-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 48 1 V2000
- -3.2445 0.5072 0.3715 C 0 0 0
- -4.1252 -0.5379 0.7147 C 0 0 0
- -2.0592 0.2113 -0.3517 C 0 0 0
- -3.5261 1.8366 0.7297 C 0 0 0
- -3.7799 -1.8445 0.3167 C 0 0 0
- -5.2852 -0.2902 1.4165 N 0 0 0
- -1.7732 -1.0400 -0.7077 N 0 0 0
- -1.1863 1.2659 -0.6890 C 0 0 0
- -2.6580 2.8259 0.3848 C 0 0 0
- -2.5757 -2.0587 -0.4047 C 0 0 0
- -4.6098 -2.9366 0.6231 C 0 0 0
- -6.3335 -0.0297 0.4209 C 0 0 0
- -1.4893 2.5386 -0.3204 C 0 0 0
- -2.2416 -3.3711 -0.7971 C 0 0 0
- -4.2515 -4.1876 0.2258 C 0 0 0
- -7.6562 0.2546 1.1355 C 0 0 0
- -3.0690 -4.4024 -0.4823 C 0 0 0
- -8.7480 0.5260 0.0986 C 0 0 0
- -10.0179 0.7990 0.7847 N 0 0 0
- -11.0178 1.0496 -0.2620 C 0 0 0
- -12.3722 1.3427 0.3864 C 0 0 0
- -13.5994 1.6504 -0.8981 Cl 0 0 0
- 9.4818 0.1844 -1.0629 O 0 0 0
- 18.1094 0.3452 -0.3290 Cl 0 0 0
- 26.7370 0.5061 0.4050 Cl 0 0 0
- -4.4695 2.0833 0.0000 H 0 0 0
- -5.5046 -1.2403 0.0000 H 0 0 0
- -0.2366 1.0447 0.0000 H 0 0 0
- -2.9506 3.7560 0.0000 H 0 0 0
- -5.5682 -2.7568 0.0000 H 0 0 0
- -5.6642 0.6794 0.0000 H 0 0 0
- -6.6228 0.9015 0.0000 H 0 0 0
- -0.7973 3.2256 0.0000 H 0 0 0
- -1.2886 -3.5776 0.0000 H 0 0 0
- -4.9059 -4.9104 0.0000 H 0 0 0
- -8.3255 -0.4545 0.0000 H 0 0 0
- -7.3669 -0.6766 0.0000 H 0 0 0
- -2.7278 -5.3158 0.0000 H 0 0 0
- -8.0786 1.2350 0.0000 H 0 0 0
- -9.0373 1.4572 0.0000 H 0 0 0
- -10.2389 -0.1507 0.0000 H 0 0 0
- -10.3472 1.7575 0.0000 H 0 0 0
- -11.3056 1.9812 0.0000 H 0 0 0
- -13.0428 0.6349 0.0000 H 0 0 0
- -12.0844 0.4111 0.0000 H 0 0 0
- 8.5067 0.1844 0.0000 H 0 0 0
- 10.4569 0.1844 0.0000 H 0 0 0
- 19.0845 0.3452 0.0000 H 0 0 0
- 27.7121 0.5061 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 2 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 7 10 2 0
- 9 13 1 0
- 15 17 1 0
- 4 26 1 0
- 6 27 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 25 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2080-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- 1.9379 -0.2203 -0.8196 S 0 0 0
- 0.2519 0.0436 -0.3811 C 0 0 0
- 2.8510 0.0610 0.5330 N 0 0 0
- 2.0553 -1.6119 -1.0821 O 0 0 0
- 2.2672 0.8192 -1.7308 O 0 0 0
- -0.3413 1.2680 -0.6270 C 0 0 0
- -0.4770 -0.9764 0.2030 C 0 0 0
- 3.6850 1.2625 0.6169 C 0 0 0
- 2.8249 -0.8917 1.6456 C 0 0 0
- -1.6630 1.4780 -0.2849 C 0 0 0
- -1.7987 -0.7729 0.5474 C 0 0 0
- 2.8614 2.4157 1.1937 C 0 0 0
- 3.8351 -2.0104 1.3830 C 0 0 0
- -2.3960 0.4577 0.3065 C 0 0 0
- -3.7351 0.6671 0.6543 N 0 0 0
- -4.6927 -0.1476 0.1690 C 0 0 0
- -6.1163 -0.0022 0.6414 C 0 0 0
- -4.4087 -0.9979 -0.6480 O 0 0 0
- 0.2608 2.0791 0.0000 H 0 0 0
- -0.0848 -1.9073 0.0000 H 0 0 0
- 4.4435 0.5954 0.0000 H 0 0 0
- 4.4345 1.9397 0.0000 H 0 0 0
- 1.8590 -0.5961 0.0000 H 0 0 0
- 2.2826 -1.7439 0.0000 H 0 0 0
- -2.0518 2.4103 0.0000 H 0 0 0
- -2.3986 -1.5856 0.0000 H 0 0 0
- 3.6834 3.0028 0.0000 H 0 0 0
- 2.2743 3.2377 0.0000 H 0 0 0
- 2.0394 1.8286 0.0000 H 0 0 0
- 3.0854 -2.6874 0.0000 H 0 0 0
- 4.5121 -2.7601 0.0000 H 0 0 0
- 4.5848 -1.3334 0.0000 H 0 0 0
- -4.0093 1.6393 0.0000 H 0 0 0
- -6.0137 1.0027 0.0000 H 0 0 0
- -7.1212 0.1004 0.0000 H 0 0 0
- -6.2189 -1.0071 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 11 14 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 13 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-533-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.7469 0.7253 -0.0505 C 0 0 0
- 0.4642 -0.6382 -0.0606 C 0 0 0
- 2.1025 0.8898 -0.0872 O 0 0 0
- -0.2878 1.6452 -0.0035 C 0 0 0
- -0.8516 -1.0704 -0.0287 C 0 0 0
- 1.6414 -1.3278 -0.1037 O 0 0 0
- 2.6546 -0.3846 0.2924 C 0 0 0
- -1.5996 1.2116 0.0336 C 0 0 0
- -1.8840 -0.1458 0.0129 C 0 0 0
- -3.1755 -0.5702 0.0441 O 0 0 0
- -0.0777 2.6621 0.0000 H 0 0 0
- -1.0645 -2.0867 0.0000 H 0 0 0
- 3.2714 -1.2199 0.0000 H 0 0 0
- 3.5545 0.1335 0.0000 H 0 0 0
- -2.3740 1.9033 0.0000 H 0 0 0
- -4.1620 -0.8944 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 1 0
- 8 9 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-203-64-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.7152 0.0889 -0.0020 C 0 0 0
- -0.7152 0.0889 -0.0013 C 0 0 0
- 1.2150 1.3765 -0.0005 C 0 0 0
- 1.4333 -1.1090 0.0014 C 0 0 0
- -1.2150 1.3765 0.0007 C 0 0 0
- -1.4333 -1.1090 -0.0021 C 0 0 0
- 0.0000 2.2797 0.0010 C 0 0 0
- 2.5730 1.4690 -0.0004 C 0 0 0
- 0.6827 -2.3058 0.0057 C 0 0 0
- 2.8254 -0.9646 0.0010 C 0 0 0
- -2.5729 1.4691 0.0017 C 0 0 0
- -0.6828 -2.3058 -0.0037 C 0 0 0
- -2.8254 -0.9646 -0.0007 C 0 0 0
- 3.3455 0.3050 -0.0017 C 0 0 0
- -3.3455 0.3050 0.0008 C 0 0 0
- 0.7038 3.0557 0.0000 H 0 0 0
- -0.7038 3.0557 0.0000 H 0 0 0
- 3.0366 2.4085 0.0000 H 0 0 0
- 1.1898 -3.2225 0.0000 H 0 0 0
- 3.4533 -1.8032 0.0000 H 0 0 0
- -3.0365 2.4086 0.0000 H 0 0 0
- -1.1900 -3.2225 0.0000 H 0 0 0
- -3.4533 -1.8032 0.0000 H 0 0 0
- 4.3880 0.4081 0.0000 H 0 0 0
- -4.3880 0.4081 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 8 14 1 0
- 11 15 1 0
- 5 7 1 0
- 9 12 1 0
- 10 14 2 0
- 13 15 2 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-765-34-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- -0.3800 -0.3396 -0.6131 C 0 0 0
- -1.5223 -0.5124 0.3900 C 0 0 0
- -1.0422 0.7731 -0.0087 O 0 0 0
- 0.9371 -0.5771 0.0796 C 0 0 0
- 1.7667 0.2996 0.1164 O 0 0 0
- -0.3937 -1.3106 0.0000 H 0 0 0
- -2.4763 -0.3307 0.0000 H 0 0 0
- -1.5408 -1.4834 0.0000 H 0 0 0
- 1.2401 -1.4998 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 2 0
- 2 3 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10143-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.8382 -0.3179 -0.2454 C 0 0 0
- -0.6113 -0.3732 0.2410 C 0 0 0
- 1.5016 0.9597 0.2728 C 0 0 0
- 1.5993 -1.5368 0.2799 C 0 0 0
- -1.3723 0.8458 -0.2842 C 0 0 0
- -1.2748 -1.6507 -0.2772 C 0 0 0
- 2.9512 1.0150 -0.2136 C 0 0 0
- -2.7262 0.7942 0.1701 O 0 0 0
- 1.9170 -0.2751 0.0000 H 0 0 0
- -1.6901 -0.4159 0.0000 H 0 0 0
- 1.6461 2.0296 0.0000 H 0 0 0
- 0.4723 1.2855 0.0000 H 0 0 0
- 0.6835 -2.1086 0.0000 H 0 0 0
- 2.1711 -2.4526 0.0000 H 0 0 0
- 2.5151 -0.9650 0.0000 H 0 0 0
- -0.3716 1.2510 0.0000 H 0 0 0
- -1.5989 1.9014 0.0000 H 0 0 0
- -2.2329 -1.1531 0.0000 H 0 0 0
- -1.7724 -2.6088 0.0000 H 0 0 0
- -0.3167 -2.1483 0.0000 H 0 0 0
- 2.9924 -0.0639 0.0000 H 0 0 0
- 4.0301 1.0562 0.0000 H 0 0 0
- 2.9100 2.0939 0.0000 H 0 0 0
- -3.8051 0.7531 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 1 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-14-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -3.1542 0.1805 0.0532 C 0 0 0
- -3.2978 -1.1433 0.4516 C 0 0 0
- -2.0868 0.5482 -0.7441 C 0 0 0
- -4.3179 1.3690 0.5502 Cl 0 0 0
- -2.3676 -2.0917 0.0468 C 0 0 0
- -4.3755 -1.5190 1.2581 N 0 0 0
- -1.1629 -0.3993 -1.1449 C 0 0 0
- -1.3033 -1.7171 -0.7499 C 0 0 0
- -0.0002 0.0051 -2.0141 C 0 0 0
- 1.1628 0.4052 -1.1433 C 0 0 0
- 2.0868 -0.5443 -0.7476 C 0 0 0
- 1.3065 1.7221 -0.7464 C 0 0 0
- 3.1548 -0.1805 0.0507 C 0 0 0
- 2.3713 2.0928 0.0513 C 0 0 0
- 3.2988 1.1413 0.4554 C 0 0 0
- 4.3144 -1.3730 0.5477 Cl 0 0 0
- 4.3773 1.5131 1.2626 N 0 0 0
- -1.8574 1.5144 0.0000 H 0 0 0
- -2.5924 -3.0590 0.0000 H 0 0 0
- -5.1274 -0.8704 0.0000 H 0 0 0
- -4.5613 -2.4945 0.0000 H 0 0 0
- -0.5245 -2.3332 0.0000 H 0 0 0
- 0.1884 0.9801 0.0000 H 0 0 0
- -0.7509 0.6551 0.0000 H 0 0 0
- 1.8552 -1.5100 0.0000 H 0 0 0
- 0.5295 2.3405 0.0000 H 0 0 0
- 2.5992 3.0593 0.0000 H 0 0 0
- 5.1270 0.8619 0.0000 H 0 0 0
- 4.5664 2.4880 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 9 10 1 0
- 10 11 2 0
- 10 12 1 0
- 11 13 1 0
- 12 14 2 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 7 8 1 0
- 14 15 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1918-13-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.0000 0.1915 0.1211 C 0 0 0
- -1.2082 0.8840 -0.0002 C 0 0 0
- 1.2091 0.8832 -0.0002 C 0 0 0
- -0.0006 -1.2603 0.3818 C 0 0 0
- -1.1992 2.2442 -0.2386 C 0 0 0
- -2.7159 0.0365 0.1491 Cl 0 0 0
- 1.2012 2.2430 -0.2386 C 0 0 0
- 2.7161 0.0344 0.1490 Cl 0 0 0
- -0.0005 -1.7172 1.6498 N 0 0 0
- -0.0013 -2.3648 -0.9262 S 0 0 0
- 0.0011 2.9212 -0.3574 C 0 0 0
- -2.0902 2.7686 0.0000 H 0 0 0
- 2.0926 2.7666 0.0000 H 0 0 0
- -0.8957 -2.2343 0.0000 H 0 0 0
- 0.8950 -2.2339 0.0000 H 0 0 0
- 0.0015 3.9551 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 7 11 1 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3237-50-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.0095 0.0000 0.0000 C 0 0 0
- -0.2081 -1.2881 -0.0002 C 0 0 0
- -0.2081 1.2881 0.0002 C 0 0 0
- -1.8512 0.0002 -1.1548 O 0 0 0
- -1.8513 -0.0002 1.1547 O 0 0 0
- 1.1379 -1.1855 -0.0001 N 0 0 0
- -0.7562 -2.3695 0.0001 O 0 0 0
- 1.1379 1.1855 0.0002 N 0 0 0
- -0.7562 2.3695 -0.0001 O 0 0 0
- 1.7580 0.0000 0.0000 C 0 0 0
- 2.9728 0.0000 0.0000 O 0 0 0
- -2.8546 0.0004 0.0000 H 0 0 0
- -2.8547 -0.0004 0.0000 H 0 0 0
- 1.6899 -2.0235 0.0000 H 0 0 0
- 1.6899 2.0235 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 2 0
- 6 10 1 0
- 10 11 2 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-584-08-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 5 1 V2000
- -7.9635 0.0354 0.0556 C 0 0 0
- -8.7330 -0.9140 0.5935 O 0 0 0
- -6.8716 -0.3020 -0.6350 O 0 0 0
- -8.2889 1.3219 0.2036 O 0 0 0
- 1.7869 -0.1185 -0.2349 K 0 3 0
- 10.4366 0.0643 0.1515 K 0 3 0
- -5.9959 -0.5726 0.0000 H 0 0 0
- -8.5137 2.2105 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 3 7 1 0
- 4 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3101-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 3.5729 0.3832 -0.0531 C 0 0 0
- 2.1174 -0.0045 -0.0057 C 0 0 0
- 3.6984 1.9054 0.0375 C 0 0 0
- 4.3106 -0.2602 1.1228 C 0 0 0
- 4.1873 -0.1018 -1.3676 C 0 0 0
- 1.7556 -1.3375 -0.0725 C 0 0 0
- 1.1464 0.9727 0.1103 C 0 0 0
- 0.4223 -1.6955 -0.0289 C 0 0 0
- -0.1887 0.6198 0.1544 C 0 0 0
- -0.5545 -0.7163 0.0822 C 0 0 0
- -1.8670 -1.0659 0.1254 O 0 0 0
- -2.6140 0.1469 0.2399 C 0 0 0
- -4.1082 -0.1776 0.2937 C 0 0 0
- -4.9080 1.1210 0.4163 C 0 0 0
- -4.7667 0.4236 -0.8230 O 0 0 0
- 4.7307 1.8203 0.0000 H 0 0 0
- 3.7835 2.9377 0.0000 H 0 0 0
- 2.6661 1.9905 0.0000 H 0 0 0
- 3.6298 -1.0408 0.0000 H 0 0 0
- 5.0912 -0.9410 0.0000 H 0 0 0
- 4.9914 0.5204 0.0000 H 0 0 0
- 3.5455 -0.9148 0.0000 H 0 0 0
- 5.0003 -0.7436 0.0000 H 0 0 0
- 4.8291 0.7112 0.0000 H 0 0 0
- 2.4870 -2.0709 0.0000 H 0 0 0
- 1.4178 1.9723 0.0000 H 0 0 0
- 0.1539 -2.6959 0.0000 H 0 0 0
- -0.9179 1.3555 0.0000 H 0 0 0
- -1.6765 0.5875 0.0000 H 0 0 0
- -2.9463 1.1280 0.0000 H 0 0 0
- -4.3775 -1.1778 0.0000 H 0 0 0
- -4.3125 1.9685 0.0000 H 0 0 0
- -5.9218 1.3332 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 6 8 2 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 9 10 2 0
- 14 15 1 0
- 3 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75965-74-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.5335 0.0288 0.0023 C 0 0 0
- -0.9199 -0.0846 0.0014 C 0 0 0
- 1.1221 1.2964 0.0008 C 0 0 0
- 1.6402 -0.9256 -0.0012 C 0 0 0
- -1.6909 1.1037 -0.0010 C 0 0 0
- -1.5618 -1.3277 0.0024 C 0 0 0
- 2.4587 1.1158 0.0017 O 0 0 0
- 0.3133 2.4387 -0.0015 C 0 0 0
- 2.7656 -0.1920 0.0016 C 0 0 0
- -3.0915 1.0137 -0.0019 C 0 0 0
- -1.0396 2.3528 -0.0020 C 0 0 0
- -2.9228 -1.3902 0.0011 C 0 0 0
- 4.1398 -0.7430 -0.0004 N 0 3 0
- -3.6926 -0.2248 -0.0004 C 0 0 0
- 5.0976 0.0095 0.0025 O 0 0 0
- 4.3126 -1.9486 -0.0048 O 0 5 0
- -5.0488 -0.3144 -0.0009 O 0 0 0
- -5.3708 -1.7066 0.0009 C 0 0 0
- 1.5701 -1.9711 0.0000 H 0 0 0
- -0.9963 -2.2099 0.0000 H 0 0 0
- 0.7650 3.3842 0.0000 H 0 0 0
- -3.6758 1.8835 0.0000 H 0 0 0
- -1.6110 3.2311 0.0000 H 0 0 0
- -3.3979 -2.3242 0.0000 H 0 0 0
- -6.3917 -1.4705 0.0000 H 0 0 0
- -5.6069 -2.7275 0.0000 H 0 0 0
- -4.3499 -1.9427 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 17 18 1 0
- 7 9 1 0
- 8 11 2 0
- 12 14 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 18 25 1 0
- 18 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-88-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- -0.4928 0.2259 0.0029 C 0 0 0
- 0.5644 -0.8481 0.0027 C 0 0 0
- -0.1433 1.4901 0.0005 C 0 0 0
- -2.1731 -0.2101 -0.0011 Cl 0 0 0
- 2.1974 -0.0839 -0.0010 Cl 0 0 0
- -0.3932 -1.5978 0.0000 H 0 0 0
- 1.2011 -1.8843 0.0000 H 0 0 0
- 1.0338 1.7955 0.0000 H 0 0 0
- -0.9964 2.3568 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5598-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 15 1 V2000
- -3.8367 -0.8615 -0.7026 C 0 0 1
- -5.2974 -0.5587 -0.3625 C 0 0 0
- -2.9594 -0.4726 0.4593 C 0 0 0
- -3.6843 -2.2975 -0.9722 N 0 0 0
- -5.4844 0.9310 -0.2322 C 0 0 0
- -2.8983 -1.1917 1.4472 O 0 0 0
- -2.3083 0.5623 0.4148 O 0 0 0
- -6.5483 1.3810 0.1707 O 0 0 0
- -4.5722 1.6904 -0.5293 O 0 0 0
- 7.0725 -0.0564 0.1862 Na 0 3 0
- 15.7183 0.2593 -0.2023 Na 0 3 0
- -3.9327 0.0370 0.0000 H 0 0 0
- -6.2009 -0.5724 0.0000 H 0 0 0
- -5.3828 -1.4583 0.0000 H 0 0 0
- -4.4148 -2.8294 0.0000 H 0 0 0
- -2.8584 -2.6642 0.0000 H 0 0 0
- -1.8271 1.3271 0.0000 H 0 0 0
- -3.8777 2.2685 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 5 8 2 0
- 5 9 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 7 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4655-34-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.5254 -0.3232 -0.1182 C 0 0 0
- -0.5643 0.4627 -0.0096 O 0 0 0
- 1.8666 0.2527 0.0521 C 0 0 0
- 0.3985 -1.5091 -0.3520 O 0 0 0
- -1.8895 -0.1063 -0.1779 C 0 0 0
- 2.0237 1.7219 0.3481 C 0 0 0
- 2.9425 -0.5233 -0.0551 C 0 0 0
- -2.4150 -0.5846 1.1771 C 0 0 0
- -2.8329 0.9568 -0.7443 C 0 0 0
- -1.3283 -0.9781 0.0000 H 0 0 0
- 3.0546 1.6117 0.0000 H 0 0 0
- 2.1339 2.7528 0.0000 H 0 0 0
- 0.9928 1.8321 0.0000 H 0 0 0
- 2.8377 -1.5548 0.0000 H 0 0 0
- 3.8882 -0.0983 0.0000 H 0 0 0
- -3.1129 0.1822 0.0000 H 0 0 0
- -3.1818 -1.2825 0.0000 H 0 0 0
- -1.7171 -1.3514 0.0000 H 0 0 0
- -2.0574 1.6450 0.0000 H 0 0 0
- -3.5211 1.7323 0.0000 H 0 0 0
- -3.6084 0.2686 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58957-92-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 67 1 V2000
- 0.1441 -0.7548 -0.0177 C 0 0 0
- -0.4953 -1.8673 0.4676 C 0 0 0
- 1.6320 -0.7125 -0.2543 C 0 0 2
- -0.5890 0.4007 -0.3201 C 0 0 0
- -1.8837 -1.8522 0.6586 C 0 0 0
- 0.2393 -3.1347 0.8224 C 0 0 0
- 2.3305 -1.8380 0.5054 C 0 0 0
- 2.1441 0.5449 0.1913 O 0 0 0
- -1.9699 0.4317 -0.1361 C 0 0 0
- 0.0509 1.4979 -0.7950 O 0 0 0
- -2.6270 -0.7111 0.3633 C 0 0 0
- -2.5089 -2.9572 1.1350 O 0 0 0
- 1.6213 -3.1562 0.1733 C 0 0 2
- 3.0796 0.9832 -0.7960 C 0 0 1
- -2.7402 1.6462 -0.4548 C 0 0 0
- -4.0861 -0.6942 0.5647 C 0 0 0
- 1.4786 -3.2938 -1.3206 C 0 0 0
- 2.3779 -4.2539 0.6878 O 0 0 0
- 3.1453 2.5122 -0.7933 C 0 0 0
- 4.3672 0.4438 -0.5036 O 0 0 0
- -4.2047 1.6624 -0.2565 C 0 0 0
- -2.1723 2.6333 -0.8804 O 0 0 0
- -4.8595 0.5245 0.2468 C 0 0 0
- -4.6533 -1.6813 0.9913 O 0 0 0
- 2.6262 -3.8227 -2.1416 C 0 0 0
- 0.4445 -2.9802 -1.8598 O 0 0 0
- 3.5686 2.9914 0.5998 C 0 0 1
- 4.6744 0.7700 0.8505 C 0 0 2
- -4.9409 2.8053 -0.5567 C 0 0 0
- -6.2388 0.5497 0.4340 C 0 0 0
- 4.8706 2.2815 0.9880 C 0 0 1
- 3.7922 4.4430 0.5713 N 0 0 0
- 5.9568 0.0489 1.2704 C 0 0 0
- -6.3113 2.8119 -0.3678 C 0 0 0
- -6.9546 1.6948 0.1338 C 0 0 0
- 5.9222 2.7063 0.1186 O 0 0 0
- 2.6489 -0.6265 0.0000 H 0 0 0
- -0.7211 -3.4798 0.0000 H 0 0 0
- 0.4066 -4.1414 0.0000 H 0 0 0
- 3.1320 -2.4697 0.0000 H 0 0 0
- 3.0914 -1.1579 0.0000 H 0 0 0
- 0.5650 2.3794 0.0000 H 0 0 0
- -3.0114 -3.8454 0.0000 H 0 0 0
- 3.1007 -0.0371 0.0000 H 0 0 0
- 2.9570 -5.0941 0.0000 H 0 0 0
- 2.6114 3.3819 0.0000 H 0 0 0
- 2.1575 2.2560 0.0000 H 0 0 0
- 2.1991 -4.7495 0.0000 H 0 0 0
- 3.5530 -4.2498 0.0000 H 0 0 0
- 3.0533 -2.8959 0.0000 H 0 0 0
- 2.6445 3.4244 0.0000 H 0 0 0
- 3.7521 1.2067 0.0000 H 0 0 0
- -4.4501 3.7000 0.0000 H 0 0 0
- -6.7416 -0.3383 0.0000 H 0 0 0
- 4.9294 3.3003 0.0000 H 0 0 0
- 4.7434 4.8128 0.0000 H 0 0 0
- 2.9964 5.0818 0.0000 H 0 0 0
- 5.4566 -0.8406 0.0000 H 0 0 0
- 6.8463 -0.4513 0.0000 H 0 0 0
- 6.4570 0.9384 0.0000 H 0 0 0
- -6.8199 3.6966 0.0000 H 0 0 0
- -7.9749 1.6763 0.0000 H 0 0 0
- 6.8684 3.0885 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 2 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 27 31 1 0
- 27 32 1 0
- 28 33 1 0
- 29 34 2 0
- 30 35 2 0
- 31 36 1 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 31 1 0
- 34 35 1 0
- 3 37 1 0
- 6 38 1 0
- 6 39 1 0
- 7 40 1 0
- 7 41 1 0
- 10 42 1 0
- 12 43 1 0
- 14 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 25 48 1 0
- 25 49 1 0
- 25 50 1 0
- 27 51 1 0
- 28 52 1 0
- 29 53 1 0
- 30 54 1 0
- 31 55 1 0
- 32 56 1 0
- 32 57 1 0
- 33 58 1 0
- 33 59 1 0
- 33 60 1 0
- 34 61 1 0
- 35 62 1 0
- 36 63 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10353-53-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.3159 -0.0889 -0.5638 C 0 0 0
- -2.4902 -0.7860 0.1260 C 0 0 0
- -2.2919 0.6275 0.1953 O 0 0 0
- -0.0499 -0.2713 0.2758 C 0 0 0
- 1.1244 0.4258 -0.4141 C 0 0 0
- 2.3713 0.2461 0.4130 C 0 0 0
- 3.4137 -0.3616 -0.0971 C 0 0 0
- -0.9528 0.7990 0.0000 H 0 0 0
- -3.4460 -0.8681 0.0000 H 0 0 0
- -2.1969 -1.6994 0.0000 H 0 0 0
- -0.4589 -1.1391 0.0000 H 0 0 0
- 0.6600 -0.9165 0.0000 H 0 0 0
- 1.5334 1.2935 0.0000 H 0 0 0
- 0.4145 1.0711 0.0000 H 0 0 0
- 2.6871 1.1519 0.0000 H 0 0 0
- 3.4097 -1.3209 0.0000 H 0 0 0
- 4.2465 0.1145 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 2 0
- 2 3 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78533-30-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.3472 0.9534 -0.1591 C 0 0 0
- -0.6171 0.0216 -0.5049 C 0 0 0
- 1.7786 0.6371 -0.2709 C 0 0 0
- -0.0420 2.2804 0.3214 C 0 0 0
- -1.9710 0.3513 -0.3879 C 0 0 0
- -0.2096 -1.3403 -1.0052 C 0 0 0
- 2.7305 1.6132 0.0911 C 0 0 0
- 2.2050 -0.6109 -0.7281 C 0 0 0
- -1.3863 2.6161 0.4339 C 0 0 0
- 0.9980 3.2438 0.6793 C 0 0 0
- -2.3635 1.6759 0.0983 C 0 0 0
- -2.9791 -0.5715 -0.7312 C 0 0 0
- -0.0374 -2.5729 0.5167 Br 0 0 0
- 2.3010 2.9225 0.5720 C 0 0 0
- 4.0953 1.3103 -0.0162 C 0 0 0
- 3.5521 -0.8784 -0.8219 C 0 0 0
- -3.7360 1.9798 0.2053 C 0 0 0
- -4.2846 -0.2158 -0.6050 C 0 0 0
- 4.4886 0.0838 -0.4661 C 0 0 0
- -4.6585 1.0447 -0.1422 C 0 0 0
- 0.7587 -1.6765 0.0000 H 0 0 0
- 0.5308 -0.6314 0.0000 H 0 0 0
- 1.5301 -1.3823 0.0000 H 0 0 0
- -1.6505 3.6065 0.0000 H 0 0 0
- 0.7417 4.2363 0.0000 H 0 0 0
- -2.7378 -1.5677 0.0000 H 0 0 0
- 2.9980 3.6740 0.0000 H 0 0 0
- 4.7860 2.0676 0.0000 H 0 0 0
- 3.8564 -1.8572 0.0000 H 0 0 0
- -4.0263 2.9628 0.0000 H 0 0 0
- -5.0012 -0.9486 0.0000 H 0 0 0
- 5.4864 -0.1507 0.0000 H 0 0 0
- -5.6529 1.2934 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 12 18 2 0
- 15 19 2 0
- 17 20 2 0
- 9 11 1 0
- 10 14 2 0
- 16 19 1 0
- 18 20 1 0
- 6 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132929-89-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.5950 -0.6433 -0.0479 C 0 0 0
- -0.8019 -0.8052 -0.0162 C 0 0 0
- 1.1514 0.6565 -0.0862 C 0 0 0
- 1.4353 -1.7810 -0.0471 C 0 0 0
- -1.6430 0.3308 -0.0214 C 0 0 0
- -1.3597 -2.1040 0.0202 C 0 0 0
- 2.5359 0.8032 -0.1187 C 0 0 0
- 0.2573 1.8115 -0.0902 C 0 0 0
- 2.8180 -1.6085 -0.0777 C 0 0 0
- 0.8303 -3.1102 -0.0147 C 0 0 0
- -3.0292 0.1479 0.0104 C 0 0 0
- -1.0822 1.6309 -0.0593 C 0 0 0
- -0.5148 -3.2409 0.0258 C 0 0 0
- -2.7505 -2.2432 0.0509 C 0 0 0
- 3.3594 -0.3244 -0.1105 C 0 0 0
- 3.1595 2.1736 -0.1646 C 0 0 0
- -3.5613 -1.1254 0.0459 C 0 0 0
- -3.9290 1.3237 0.0066 N 0 3 0
- 4.8271 -0.1367 -0.1435 C 0 0 0
- 4.4660 2.1752 0.6264 C 0 0 0
- -4.8483 1.3896 0.8028 O 0 0 0
- -3.7498 2.2250 -0.7928 O 0 5 0
- 5.3452 1.0336 0.1974 C 0 0 0
- 0.6550 2.7818 0.0000 H 0 0 0
- 3.4509 -2.4446 0.0000 H 0 0 0
- 1.4398 -3.9635 0.0000 H 0 0 0
- -1.7158 2.4665 0.0000 H 0 0 0
- -0.9399 -4.1995 0.0000 H 0 0 0
- -3.1798 -3.2000 0.0000 H 0 0 0
- 3.3074 3.2118 0.0000 H 0 0 0
- 2.1529 2.4677 0.0000 H 0 0 0
- -4.6029 -1.2466 0.0000 H 0 0 0
- 5.4539 -0.9774 0.0000 H 0 0 0
- 5.4157 2.6199 0.0000 H 0 0 0
- 4.2376 3.1987 0.0000 H 0 0 0
- 6.3864 1.1589 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-25074-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- -0.2268 -0.6070 -0.0009 C 0 0 0
- -1.6992 -0.5130 -0.0006 C 0 0 0
- 0.2378 0.7155 0.0003 C 0 0 0
- 0.6741 -1.6668 0.0029 C 0 0 0
- -1.9920 0.8578 0.0008 C 0 0 0
- -2.7278 -1.4492 -0.0013 C 0 0 0
- -0.8287 1.5452 0.0013 O 0 0 0
- 1.6071 0.9530 0.0003 C 0 0 0
- 2.0293 -1.4129 0.0018 C 0 0 0
- -3.3202 1.2671 0.0006 C 0 0 0
- -4.0397 -1.0242 -0.0007 C 0 0 0
- 2.4926 -0.1055 -0.0009 C 0 0 0
- -4.3322 0.3304 -0.0011 C 0 0 0
- 4.2012 0.2020 -0.0009 Cl 0 0 0
- 0.3263 -2.6483 0.0000 H 0 0 0
- -2.5081 -2.4671 0.0000 H 0 0 0
- 1.9653 1.9307 0.0000 H 0 0 0
- 2.7063 -2.2041 0.0000 H 0 0 0
- -3.5514 2.2824 0.0000 H 0 0 0
- -4.8121 -1.7226 0.0000 H 0 0 0
- -5.3252 0.6438 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4238-71-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.3147 -0.0512 -1.4434 C 0 0 0
- -0.9655 -0.0205 -0.6489 C 0 0 0
- 1.4582 -0.0365 -0.5277 N 0 0 0
- -1.5431 1.1901 -0.3155 C 0 0 0
- -1.5652 -1.2034 -0.2583 C 0 0 0
- 2.0834 -1.1297 0.0085 C 0 0 0
- 2.0959 1.0580 -0.0596 C 0 0 0
- -2.7175 1.2183 0.4134 C 0 0 0
- -2.7393 -1.1752 0.4704 C 0 0 0
- 3.0776 -0.6659 0.7895 C 0 0 0
- 3.0621 0.6739 0.7291 N 0 0 0
- -3.3140 0.0359 0.8088 C 0 0 0
- -0.1699 -0.8683 0.0000 H 0 0 0
- 0.7902 -0.8737 0.0000 H 0 0 0
- -1.0266 1.9875 0.0000 H 0 0 0
- -1.0777 -2.0189 0.0000 H 0 0 0
- 1.7959 -2.0352 0.0000 H 0 0 0
- 1.7859 1.9560 0.0000 H 0 0 0
- -3.2058 2.0333 0.0000 H 0 0 0
- -3.2567 -1.9720 0.0000 H 0 0 0
- 3.8818 -1.1716 0.0000 H 0 0 0
- -4.2640 0.0474 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 2 0
- 11 7 2 0
- 12 8 2 0
- 10 11 1 0
- 9 12 1 0
- 1 13 1 0
- 1 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7786-61-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.9870 -0.3353 -0.0029 C 0 0 0
- -0.2503 -0.9527 -0.0032 C 0 0 0
- 1.0714 1.0549 -0.0004 C 0 0 0
- 2.1214 -1.0854 0.0005 O 0 0 0
- -1.4124 -0.1800 -0.0009 C 0 0 0
- -0.0837 1.8227 0.0014 C 0 0 0
- 2.2886 1.6607 -0.0001 O 0 0 0
- 1.7113 -2.4543 0.0032 C 0 0 0
- -1.3209 1.2127 0.0016 C 0 0 0
- -2.7371 -0.8349 -0.0007 C 0 0 0
- -3.8404 -0.0994 0.0014 C 0 0 0
- -0.3147 -1.9910 0.0000 H 0 0 0
- -0.0169 2.8608 0.0000 H 0 0 0
- 3.2199 2.1242 0.0000 H 0 0 0
- 0.7148 -2.1558 0.0000 H 0 0 0
- 1.4128 -3.4508 0.0000 H 0 0 0
- 2.7078 -2.7528 0.0000 H 0 0 0
- -2.1858 1.7907 0.0000 H 0 0 0
- -2.8041 -1.8730 0.0000 H 0 0 0
- -3.7735 0.9387 0.0000 H 0 0 0
- -4.7729 -0.5605 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 6 9 2 0
- 2 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100924-64-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -0.9737 0.6036 -0.0093 C 0 0 0
- -2.3594 0.3568 0.0068 C 0 0 0
- -0.5114 1.9928 -0.0087 C 0 0 0
- -0.0635 -0.4678 -0.0198 C 0 0 0
- -2.8215 -1.0324 0.0068 C 0 0 0
- -3.2693 1.4284 0.0230 C 0 0 0
- -1.4720 3.0306 0.0078 C 0 0 0
- 0.8500 2.3092 -0.0236 C 0 0 0
- -0.4854 -1.7530 -0.0139 C 0 0 0
- 1.4153 -0.1780 -0.0375 C 0 0 0
- -1.8607 -2.0701 -0.0096 C 0 0 0
- -4.1828 -1.3493 0.0231 C 0 0 0
- -2.8471 2.7136 0.0239 C 0 0 0
- -1.0369 4.3649 0.0086 C 0 0 0
- 1.2397 3.6171 -0.0220 C 0 0 0
- 2.1417 -1.4086 -0.0458 O 0 0 0
- -2.2954 -3.4045 -0.0095 C 0 0 0
- -4.5721 -2.6573 0.0230 C 0 0 0
- 0.2978 4.6407 -0.0065 C 0 0 0
- 3.6199 -1.0466 -0.0635 S 0 0 0
- -3.6301 -3.6807 0.0061 C 0 0 0
- 4.0792 -0.9380 1.3835 O 0 0 0
- 4.2889 -2.1813 -0.5967 O 0 0 0
- 3.6885 0.2713 -0.5903 O 0 0 0
- -4.3023 1.2262 0.0000 H 0 0 0
- 1.5711 1.5425 0.0000 H 0 0 0
- 0.2244 -2.5302 0.0000 H 0 0 0
- 2.3764 0.2512 0.0000 H 0 0 0
- 1.0975 0.8254 0.0000 H 0 0 0
- -4.9042 -0.5828 0.0000 H 0 0 0
- -3.5568 3.4909 0.0000 H 0 0 0
- -1.7386 5.1495 0.0000 H 0 0 0
- 2.2652 3.8541 0.0000 H 0 0 0
- -1.5935 -4.1889 0.0000 H 0 0 0
- -5.5976 -2.8946 0.0000 H 0 0 0
- 0.6205 5.6426 0.0000 H 0 0 0
- -3.9526 -4.6827 0.0000 H 0 0 0
- 5.1035 -0.6958 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 16 20 1 0
- 17 21 2 0
- 20 22 1 0
- 20 23 2 0
- 20 24 2 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 18 21 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2425-85-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 2.7924 -0.5387 -0.0003 C 0 0 0
- 1.6468 0.2333 -0.4807 C 0 0 0
- 4.0466 0.1059 0.1287 C 0 0 0
- 2.6716 -1.8913 0.3373 C 0 0 0
- 0.4262 -0.3478 -0.6181 N 0 0 0
- 1.8353 1.5820 -0.7948 C 0 0 0
- 4.1647 1.4672 -0.2046 C 0 0 0
- 5.1514 -0.6298 0.5897 C 0 0 0
- 3.7643 -2.5755 0.7819 C 0 0 0
- -0.6187 0.2208 -0.1191 N 0 0 0
- 3.0906 2.1708 -0.6507 C 0 0 0
- 0.7907 2.3224 -1.2430 O 0 0 0
- 5.0004 -1.9463 0.9043 C 0 0 0
- -1.8299 -0.4101 -0.1701 C 0 0 0
- -2.9832 0.2479 0.2659 C 0 0 0
- -1.9222 -1.7145 -0.6641 C 0 0 0
- -4.2022 -0.3951 0.2109 C 0 0 0
- -2.8967 1.6311 0.7858 N 0 3 0
- -3.1478 -2.3444 -0.7129 C 0 0 0
- -4.2849 -1.6883 -0.2744 C 0 0 0
- -3.9129 2.2404 1.0678 O 0 0 0
- -1.8092 2.1600 0.9317 O 0 5 0
- -5.6206 -2.3839 -0.3307 C 0 0 0
- 1.7636 -2.3425 0.0000 H 0 0 0
- 5.0767 1.9102 0.0000 H 0 0 0
- 6.0711 -0.2029 0.0000 H 0 0 0
- 3.7194 -3.5884 0.0000 H 0 0 0
- 3.1622 3.1822 0.0000 H 0 0 0
- -0.0365 2.9087 0.0000 H 0 0 0
- 5.8331 -2.5247 0.0000 H 0 0 0
- -1.0760 -2.2730 0.0000 H 0 0 0
- -5.0533 0.1560 0.0000 H 0 0 0
- -3.1724 -3.3580 0.0000 H 0 0 0
- -6.0889 -1.4846 0.0000 H 0 0 0
- -6.5199 -2.8522 0.0000 H 0 0 0
- -5.1523 -3.2832 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 2 0
- 18 21 2 0
- 18 22 1 0
- 20 23 1 0
- 7 11 1 0
- 9 13 1 0
- 19 20 1 0
- 4 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 23 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1120-21-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- 0.0000 -0.4818 0.0000 C 0 0 0
- -1.2492 0.4015 0.0000 C 0 0 0
- 1.2492 0.4015 0.0000 C 0 0 0
- -2.4985 -0.4818 0.0000 C 0 0 0
- 2.4985 -0.4818 0.0000 C 0 0 0
- -3.7477 0.4015 0.0000 C 0 0 0
- 3.7477 0.4015 0.0000 C 0 0 0
- -4.9969 -0.4818 0.0000 C 0 0 0
- 4.9969 -0.4818 0.0000 C 0 0 0
- -6.2462 0.4015 0.0000 C 0 0 0
- 6.2462 0.4015 0.0000 C 0 0 0
- -0.7641 -1.3378 0.0000 H 0 0 0
- 0.7641 -1.3378 0.0000 H 0 0 0
- -0.4851 1.2575 0.0000 H 0 0 0
- -2.0133 1.2575 0.0000 H 0 0 0
- 2.0133 1.2575 0.0000 H 0 0 0
- 0.4851 1.2575 0.0000 H 0 0 0
- -3.2626 -1.3378 0.0000 H 0 0 0
- -1.7344 -1.3378 0.0000 H 0 0 0
- 1.7344 -1.3378 0.0000 H 0 0 0
- 3.2626 -1.3378 0.0000 H 0 0 0
- -2.9836 1.2575 0.0000 H 0 0 0
- -4.5118 1.2575 0.0000 H 0 0 0
- 4.5118 1.2575 0.0000 H 0 0 0
- 2.9836 1.2575 0.0000 H 0 0 0
- -5.7610 -1.3378 0.0000 H 0 0 0
- -4.2328 -1.3378 0.0000 H 0 0 0
- 4.2328 -1.3378 0.0000 H 0 0 0
- 5.7610 -1.3378 0.0000 H 0 0 0
- -5.5838 1.3384 0.0000 H 0 0 0
- -7.1831 1.0639 0.0000 H 0 0 0
- -6.9086 -0.5354 0.0000 H 0 0 0
- 6.9086 -0.5354 0.0000 H 0 0 0
- 7.1831 1.0639 0.0000 H 0 0 0
- 5.5838 1.3384 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 1 12 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 11 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-78-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.9185 0.3993 -0.0814 C 0 0 0
- 0.1628 -0.7323 -0.4176 C 0 0 0
- 2.2616 0.2517 0.2748 C 0 0 0
- 0.3015 1.7382 -0.1093 C 0 0 0
- 0.7549 -1.9860 -0.3935 C 0 0 0
- -1.1424 -0.6015 -0.7657 O 0 0 0
- 2.8337 -1.0018 0.2934 C 0 0 0
- 1.0317 2.8234 0.2146 O 0 0 0
- -0.8653 1.8630 -0.4245 O 0 0 0
- 2.0831 -2.1176 -0.0396 C 0 0 0
- -2.0933 -0.5988 0.1829 C 0 0 0
- -3.5483 -0.5781 -0.2089 C 0 0 0
- -1.7822 -0.6129 1.3503 O 0 0 0
- 2.8526 1.0690 0.0000 H 0 0 0
- 0.1737 -2.8103 0.0000 H 0 0 0
- 3.8389 -1.0844 0.0000 H 0 0 0
- 1.5947 3.6602 0.0000 H 0 0 0
- 2.5126 -3.0301 0.0000 H 0 0 0
- -3.5340 0.4304 0.0000 H 0 0 0
- -4.5568 -0.5638 0.0000 H 0 0 0
- -3.5626 -1.5866 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 11 12 1 0
- 11 13 2 0
- 7 10 1 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86439-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.4763 -0.0997 0.0046 C 0 0 0
- -1.9023 -0.4750 0.0293 C 0 0 0
- -0.4346 1.3016 -0.0547 C 0 0 0
- 0.7075 -0.8346 0.0331 C 0 0 0
- -2.6302 0.7232 -0.0166 C 0 0 0
- -2.5711 -1.6955 0.0849 C 0 0 0
- -1.7340 1.7768 -0.0665 N 0 0 0
- 0.7965 1.9471 -0.0892 C 0 0 0
- 1.9201 -0.1840 -0.0036 C 0 0 0
- -4.0208 0.6766 -0.0065 C 0 0 0
- -3.9491 -1.7214 0.0946 C 0 0 0
- 1.9668 1.2071 -0.0650 C 0 0 0
- 3.1776 -0.9642 0.0267 N 0 3 0
- -4.6701 -0.5381 0.0480 C 0 0 0
- 3.2013 1.8593 -0.1003 N 0 0 0
- 3.3767 -1.8310 -0.8054 O 0 0 0
- 4.0133 -0.7393 0.8838 O 0 5 0
- 0.6746 -1.8766 0.0000 H 0 0 0
- -2.0314 -2.5875 0.0000 H 0 0 0
- -1.9997 2.7849 0.0000 H 0 0 0
- 0.8387 2.9888 0.0000 H 0 0 0
- -4.5717 1.5617 0.0000 H 0 0 0
- -4.4511 -2.6351 0.0000 H 0 0 0
- -5.7122 -0.5675 0.0000 H 0 0 0
- 4.0840 1.3045 0.0000 H 0 0 0
- 3.2404 2.9011 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17528-53-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- -0.6522 -0.0342 0.2240 C 0 0 0
- -2.0387 0.0265 0.0438 N 0 0 0
- -0.1270 -0.3770 1.4631 C 0 0 0
- 0.1989 0.2428 -0.8374 C 0 0 0
- -2.7447 -1.0906 -0.5886 C 0 0 0
- -2.7840 1.2070 0.4876 C 0 0 0
- 1.2412 -0.4366 1.6400 C 0 0 0
- 1.5673 0.1827 -0.6586 C 0 0 0
- -2.7976 -2.2741 0.3796 C 0 0 0
- -2.7035 2.2943 -0.5859 C 0 0 0
- 2.0910 -0.1541 0.5805 C 0 0 0
- -3.6666 -3.6488 -0.3988 Cl 0 0 0
- -3.6208 3.7472 -0.0397 Cl 0 0 0
- 3.4384 -0.2126 0.7558 O 0 0 0
- 4.0331 0.1252 -0.4989 C 0 0 0
- 5.5341 0.0787 -0.3720 C 0 0 0
- 6.3064 0.3621 -1.4327 O 0 0 0
- 6.0423 -0.2137 0.6844 O 0 0 0
- -0.4145 -1.2718 0.0000 H 0 0 0
- 0.0721 1.1740 0.0000 H 0 0 0
- -3.3184 -0.3462 0.0000 H 0 0 0
- -3.6409 -1.3737 0.0000 H 0 0 0
- -3.6550 1.5601 0.0000 H 0 0 0
- -3.3869 0.4860 0.0000 H 0 0 0
- 1.3711 -1.3674 0.0000 H 0 0 0
- 1.8519 1.0784 0.0000 H 0 0 0
- -2.2240 -3.0186 0.0000 H 0 0 0
- -1.9014 -1.9911 0.0000 H 0 0 0
- -1.8325 1.9412 0.0000 H 0 0 0
- -2.1007 3.0153 0.0000 H 0 0 0
- 4.3748 1.0007 0.0000 H 0 0 0
- 3.3223 0.7400 0.0000 H 0 0 0
- 7.1887 0.6859 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 8 11 2 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 15 31 1 0
- 15 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88492-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -1.4173 -0.0999 0.4325 C 0 0 0
- -2.4609 0.6682 -0.1106 C 0 0 0
- -0.4059 0.7827 0.7158 N 0 0 0
- -1.5791 -1.4133 0.5570 N 0 0 0
- -2.0404 1.9558 -0.1304 N 0 0 0
- -3.6398 0.0073 -0.4963 C 0 0 0
- -0.8346 2.0252 0.3542 C 0 0 0
- 0.8960 0.4509 1.2999 C 0 0 0
- -2.6998 -1.9901 0.1780 C 0 0 0
- -3.7113 -1.3091 -0.3295 N 0 0 0
- -4.7016 0.7112 -1.0369 N 0 0 0
- 1.8495 -0.0060 0.1939 C 0 0 0
- 3.2509 -0.1993 0.7766 C 0 0 0
- 1.3865 -1.2421 -0.3535 O 0 0 0
- 4.1639 -0.6368 -0.2823 N 0 0 0
- 5.0631 -0.0143 -0.5418 N 0 3 0
- 5.9623 0.6083 -0.8012 N 0 5 0
- -0.2896 2.8382 0.0000 H 0 0 0
- 1.6656 1.0557 0.0000 H 0 0 0
- 0.6936 1.4086 0.0000 H 0 0 0
- -2.7571 -2.9672 0.0000 H 0 0 0
- -4.6411 1.6881 0.0000 H 0 0 0
- -5.5779 0.2751 0.0000 H 0 0 0
- 2.1312 0.9314 0.0000 H 0 0 0
- 3.9973 0.4340 0.0000 H 0 0 0
- 2.9773 0.7405 0.0000 H 0 0 0
- 1.0432 -2.1587 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 2 0
- 5 7 2 0
- 9 10 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146177-62-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 0.7773 -0.7163 -0.0016 C 0 0 0
- -0.6680 -0.5045 -0.0008 C 0 0 0
- 1.6195 0.3987 -0.0014 C 0 0 0
- 1.5624 -1.8177 0.0029 N 0 0 0
- -1.1613 0.8242 0.0001 C 0 0 0
- -1.5211 -1.5276 -0.0014 N 0 0 0
- 1.0842 1.6891 -0.0005 C 0 0 0
- 2.9119 -0.0970 -0.0017 N 0 0 0
- 2.8236 -1.4577 0.0001 C 0 0 0
- -0.2559 1.9022 0.0007 C 0 0 0
- -2.4819 1.0337 0.0008 N 0 0 0
- -2.8164 -1.2968 -0.0011 C 0 0 0
- 2.0172 2.8726 -0.0003 C 0 0 0
- 4.1454 0.6934 -0.0017 C 0 0 0
- 3.8974 -2.3239 0.0032 N 0 0 0
- -0.7829 3.3141 0.0012 C 0 0 0
- -3.3049 0.0087 0.0007 C 0 0 0
- -3.7809 -2.4547 -0.0018 C 0 0 0
- -4.7929 0.2476 0.0020 C 0 0 0
- 2.8382 2.2254 0.0000 H 0 0 0
- 2.6644 3.6936 0.0000 H 0 0 0
- 1.1962 3.5198 0.0000 H 0 0 0
- 4.7094 -0.1868 0.0000 H 0 0 0
- 5.0256 1.2574 0.0000 H 0 0 0
- 3.5814 1.5736 0.0000 H 0 0 0
- 3.7358 -3.3568 0.0000 H 0 0 0
- 4.8727 -1.9474 0.0000 H 0 0 0
- 0.1965 3.6797 0.0000 H 0 0 0
- -1.1485 4.2935 0.0000 H 0 0 0
- -1.7623 2.9485 0.0000 H 0 0 0
- -4.5842 -1.7856 0.0000 H 0 0 0
- -4.4500 -3.2580 0.0000 H 0 0 0
- -2.9776 -3.1238 0.0000 H 0 0 0
- -4.6272 1.2798 0.0000 H 0 0 0
- -5.8251 0.4133 0.0000 H 0 0 0
- -4.9586 -0.7846 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 17 19 1 0
- 7 10 2 0
- 8 9 1 0
- 12 17 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3340-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.3976 0.1643 0.0031 C 0 0 0
- -0.0404 -1.1854 0.0005 C 0 0 0
- 1.8436 0.4375 0.0022 C 0 0 0
- -0.4629 1.1705 0.0009 N 0 0 0
- -1.4056 -1.4753 0.0011 C 0 0 0
- 0.9366 -2.2718 -0.0034 C 0 0 0
- 2.7532 -0.6400 -0.0012 C 0 0 0
- 2.3239 1.7489 0.0042 C 0 0 0
- -1.7769 0.9645 -0.0036 C 0 0 0
- -2.3040 -0.4030 0.0044 C 0 0 0
- -1.8970 -2.9000 -0.0022 C 0 0 0
- 2.2590 -2.0140 -0.0042 C 0 0 0
- 4.1295 -0.3769 -0.0021 C 0 0 0
- 3.6815 1.9760 0.0028 C 0 0 0
- -2.6903 2.0365 -0.0064 C 0 0 0
- -3.6971 -0.6000 0.0057 C 0 0 0
- 4.5757 0.9129 0.0003 C 0 0 0
- -4.0253 1.7808 -0.0115 C 0 0 0
- -4.5242 0.4795 0.0094 C 0 0 0
- 0.6039 -3.2659 0.0000 H 0 0 0
- 1.6544 2.5556 0.0000 H 0 0 0
- -2.8880 -2.5582 0.0000 H 0 0 0
- -2.2388 -3.8910 0.0000 H 0 0 0
- -0.9060 -3.2418 0.0000 H 0 0 0
- 2.9416 -2.8097 0.0000 H 0 0 0
- 4.8155 -1.1696 0.0000 H 0 0 0
- 4.0438 2.9597 0.0000 H 0 0 0
- -2.3427 3.0255 0.0000 H 0 0 0
- -4.0940 -1.5703 0.0000 H 0 0 0
- 5.6065 1.1038 0.0000 H 0 0 0
- -4.6982 2.5846 0.0000 H 0 0 0
- -5.5617 0.3292 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 2 0
- 15 18 2 0
- 16 19 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 18 19 1 0
- 6 20 1 0
- 8 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7756-96-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.3660 -0.0922 0.2202 C 0 0 0
- 0.0270 0.4354 0.5333 C 0 0 0
- 2.2994 0.7072 -0.4587 C 0 0 0
- 1.7177 -1.3903 0.6022 C 0 0 0
- -1.0687 -0.1620 0.0245 O 0 0 0
- -0.0899 1.4095 1.2505 O 0 0 0
- 3.5595 0.1975 -0.7476 C 0 0 0
- 1.9652 1.9996 -0.8397 N 0 0 0
- 2.9715 -1.8774 0.3068 C 0 0 0
- -2.3887 0.3581 0.3332 C 0 0 0
- 3.8890 -1.0873 -0.3684 C 0 0 0
- -3.4493 -0.4959 -0.3643 C 0 0 0
- -4.8402 0.0522 -0.0391 C 0 0 0
- -5.9009 -0.8019 -0.7366 C 0 0 0
- 0.9676 -2.0648 0.0000 H 0 0 0
- 4.3187 0.8617 0.0000 H 0 0 0
- 2.6847 2.7066 0.0000 H 0 0 0
- 0.9931 2.2692 0.0000 H 0 0 0
- 3.1423 -2.8716 0.0000 H 0 0 0
- -1.8633 1.2192 0.0000 H 0 0 0
- -3.1468 1.0235 0.0000 H 0 0 0
- 4.8514 -1.3897 0.0000 H 0 0 0
- -3.9747 -1.3570 0.0000 H 0 0 0
- -2.6912 -1.1613 0.0000 H 0 0 0
- -4.3148 0.9133 0.0000 H 0 0 0
- -5.5983 0.7176 0.0000 H 0 0 0
- -6.5336 -0.0162 0.0000 H 0 0 0
- -6.6866 -1.4346 0.0000 H 0 0 0
- -5.2682 -1.5876 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 9 11 1 0
- 4 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73936-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 1.4890 -0.8407 -0.6997 C 0 0 1
- 0.7327 -1.2084 0.5785 C 0 0 2
- 2.6087 0.1107 -0.3647 C 0 0 0
- 1.6963 -2.0792 -0.0176 O 0 0 0
- -0.6550 -1.6769 0.2239 C 0 0 0
- 3.8599 -0.3806 -0.0415 C 0 0 0
- 2.3862 1.4747 -0.3862 C 0 0 0
- -1.7590 -0.7095 0.1423 C 0 0 0
- -0.8611 -2.8519 0.0059 O 0 0 0
- 4.8868 0.4920 0.2657 C 0 0 0
- 3.4135 2.3475 -0.0789 C 0 0 0
- -3.0490 -1.1413 -0.1868 C 0 0 0
- -1.5258 0.6461 0.3989 C 0 0 0
- 4.6628 1.8562 0.2498 C 0 0 0
- -4.0789 -0.2298 -0.2612 C 0 0 0
- -2.5649 1.5474 0.3211 C 0 0 0
- -3.8398 1.1137 -0.0107 C 0 0 0
- -4.8544 2.0026 -0.0853 F 0 0 0
- 0.9336 0.0100 0.0000 H 0 0 0
- 0.3473 -0.2684 0.0000 H 0 0 0
- 4.0269 -1.3828 0.0000 H 0 0 0
- 1.4327 1.8254 0.0000 H 0 0 0
- 5.8405 0.1419 0.0000 H 0 0 0
- 3.2468 3.3497 0.0000 H 0 0 0
- -3.2516 -2.1369 0.0000 H 0 0 0
- -0.5690 0.9878 0.0000 H 0 0 0
- 5.4532 2.4946 0.0000 H 0 0 0
- -5.0384 -0.5639 0.0000 H 0 0 0
- -2.3697 2.5445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 17 18 1 0
- 2 4 1 0
- 11 14 2 0
- 16 17 2 0
- 1 19 1 0
- 2 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.5180 0.5838 -0.0185 C 0 0 0
- 0.3057 -0.7023 -0.4780 C 0 0 0
- 1.7600 0.9480 0.4677 C 0 0 0
- -0.5826 1.5730 -0.0526 N 0 3 0
- 1.3353 -1.6247 -0.4514 C 0 0 0
- -1.0482 -1.0995 -1.0075 C 0 0 0
- 2.7893 0.0259 0.4943 C 0 0 0
- -1.0849 1.8886 -1.1164 O 0 0 0
- -0.9858 2.0713 0.9830 O 0 5 0
- 2.5770 -1.2605 0.0342 C 0 0 0
- -1.8725 -1.6209 0.0950 C 0 0 0
- -2.5086 -2.0233 0.9458 N 0 0 0
- 1.9751 1.8981 0.0000 H 0 0 0
- 1.1202 -2.5748 0.0000 H 0 0 0
- -0.9071 -0.1356 0.0000 H 0 0 0
- -1.8652 -0.5688 0.0000 H 0 0 0
- 3.7082 0.3493 0.0000 H 0 0 0
- 3.3065 -1.9062 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 11 12 3 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66291-31-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4535 0.0809 -0.0027 C 0 0 0
- -0.9732 -0.2555 -0.0018 C 0 0 0
- 0.8295 1.4430 -0.0006 C 0 0 0
- 1.4382 -0.9088 0.0003 C 0 0 0
- -1.9182 0.7951 0.0011 C 0 0 0
- -1.4120 -1.5809 -0.0034 C 0 0 0
- -0.1652 2.4485 0.0027 C 0 0 0
- 2.1915 1.7761 -0.0015 C 0 0 0
- 2.7565 -0.5520 -0.0002 C 0 0 0
- 1.0482 -2.3645 0.0045 C 0 0 0
- -1.4774 2.1391 0.0026 C 0 0 0
- -3.2855 0.4846 0.0019 C 0 0 0
- -2.7509 -1.8506 -0.0020 C 0 0 0
- 3.1304 0.7867 -0.0042 C 0 0 0
- 3.8178 -1.6218 0.0035 C 0 0 0
- -3.6835 -0.8200 -0.0001 C 0 0 0
- -0.7162 -2.3664 0.0000 H 0 0 0
- 0.1244 3.4571 0.0000 H 0 0 0
- 2.4874 2.7829 0.0000 H 0 0 0
- 0.0346 -2.0929 0.0000 H 0 0 0
- 0.7766 -3.3781 0.0000 H 0 0 0
- 2.0618 -2.6361 0.0000 H 0 0 0
- -2.1871 2.9121 0.0000 H 0 0 0
- -4.0000 1.2531 0.0000 H 0 0 0
- -3.0792 -2.8473 0.0000 H 0 0 0
- 4.1488 1.0396 0.0000 H 0 0 0
- 3.0728 -2.3608 0.0000 H 0 0 0
- 4.5568 -2.3668 0.0000 H 0 0 0
- 4.5628 -0.8828 0.0000 H 0 0 0
- -4.7076 -1.0487 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 2 0
- 9 15 1 0
- 12 16 2 0
- 7 11 2 0
- 9 14 1 0
- 13 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-92-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.1905 -0.0247 0.0033 C 0 0 0
- 0.4883 -1.2489 0.0029 C 0 0 0
- 0.5513 1.1574 0.0010 C 0 0 0
- -1.6684 0.0154 0.0001 C 0 0 0
- 1.8721 -1.2316 0.0001 C 0 0 0
- 1.8675 1.1218 -0.0016 N 0 0 0
- -2.3104 1.2004 0.0005 N 0 0 0
- -2.3045 -1.0205 -0.0030 O 0 0 0
- 2.5339 -0.0171 -0.0021 C 0 0 0
- -0.0325 -2.1460 0.0000 H 0 0 0
- 0.0616 2.0719 0.0000 H 0 0 0
- 2.4074 -2.1202 0.0000 H 0 0 0
- -1.7676 2.0844 0.0000 H 0 0 0
- -3.3474 1.2285 0.0000 H 0 0 0
- 3.5711 -0.0013 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142438-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.5773 0.1792 0.4779 C 0 0 0
- -0.4261 -0.9806 0.6108 C 0 0 0
- 0.3621 -0.5147 1.7082 O 0 0 0
- -0.2613 1.4285 0.3801 C 0 0 0
- 1.8795 0.0933 -0.2757 C 0 0 0
- -1.7985 -0.2886 0.5700 C 0 0 0
- -0.2553 -2.3641 -0.0199 C 0 0 0
- -1.5594 1.1332 0.4327 O 0 0 0
- 0.1838 2.5464 0.2694 O 0 0 0
- 2.8085 -0.8040 0.0898 O 0 0 0
- 2.0874 0.8320 -1.2089 O 0 0 0
- -2.5878 -0.7923 -0.6400 C 0 0 0
- 4.0632 -0.8868 -0.6362 C 0 0 0
- -4.0856 -0.7291 -0.3341 C 0 0 0
- -2.2776 0.0870 -1.8531 C 0 0 0
- -2.6105 0.2488 0.0000 H 0 0 0
- -1.2217 -2.4834 0.0000 H 0 0 0
- -0.1360 -3.3305 0.0000 H 0 0 0
- 0.7111 -2.2448 0.0000 H 0 0 0
- -2.3347 -1.7326 0.0000 H 0 0 0
- 3.9991 -1.8584 0.0000 H 0 0 0
- 5.0348 -0.9509 0.0000 H 0 0 0
- 4.1273 0.0848 0.0000 H 0 0 0
- -4.0445 0.2438 0.0000 H 0 0 0
- -5.0585 -0.6880 0.0000 H 0 0 0
- -4.1267 -1.7020 0.0000 H 0 0 0
- -1.3593 -0.2369 0.0000 H 0 0 0
- -1.9537 1.0053 0.0000 H 0 0 0
- -3.1959 0.4109 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 15 1 0
- 2 3 1 0
- 6 8 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 7 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6931-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.1618 -0.0167 0.1532 C 0 0 0
- -0.1123 0.4601 0.8685 C 0 0 1
- 1.9405 0.9844 -0.6875 C 0 0 0
- 2.4156 0.4984 0.5717 O 0 0 0
- 1.0738 -1.4706 -0.3243 C 0 0 0
- -1.2561 0.5428 -0.1617 C 0 0 0
- -0.8389 -0.7944 1.4067 C 0 0 0
- -0.3312 -1.6790 -0.9111 C 0 0 0
- -1.3681 -0.9848 -0.0236 C 0 0 2
- -2.4866 1.2977 0.3452 C 0 0 0
- -0.8024 1.0031 -1.5484 C 0 0 0
- 0.1047 1.4533 0.0000 H 0 0 0
- 2.6346 1.7272 0.0000 H 0 0 0
- 1.1671 1.6442 0.0000 H 0 0 0
- 1.1530 -2.4841 0.0000 H 0 0 0
- 2.0904 -1.4617 0.0000 H 0 0 0
- -0.7828 -1.8095 0.0000 H 0 0 0
- 0.1498 -1.0310 0.0000 H 0 0 0
- -1.1068 -2.3362 0.0000 H 0 0 0
- 0.0881 -2.6051 0.0000 H 0 0 0
- -2.2818 -1.4305 0.0000 H 0 0 0
- -1.9550 2.1642 0.0000 H 0 0 0
- -3.3531 1.8293 0.0000 H 0 0 0
- -3.0182 0.4312 0.0000 H 0 0 0
- -0.0784 0.2895 0.0000 H 0 0 0
- -0.0888 1.7271 0.0000 H 0 0 0
- -1.5264 1.7167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 3 4 1 0
- 7 9 1 0
- 8 9 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-86-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.3386 0.0001 0.0035 C 0 0 0
- 1.0305 -1.1979 0.0020 C 0 0 0
- 1.0302 1.1977 0.0021 C 0 0 0
- -1.5524 0.0000 -0.0006 Br 0 0 0
- 2.4125 -1.1974 -0.0008 C 0 0 0
- 2.4126 1.1973 -0.0008 C 0 0 0
- 3.1036 0.0002 -0.0022 C 0 0 0
- 0.5122 -2.0961 0.0000 H 0 0 0
- 0.5119 2.0959 0.0000 H 0 0 0
- 2.9313 -2.0953 0.0000 H 0 0 0
- 2.9313 2.0953 0.0000 H 0 0 0
- 4.1406 0.0003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3586-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.1380 0.3662 -0.0058 C 0 0 0
- 0.1098 -1.0793 -0.0022 C 0 0 0
- 0.9303 1.2609 -0.0051 C 0 0 0
- -1.4729 0.8254 -0.0041 C 0 0 0
- 1.4151 -1.5670 0.0010 C 0 0 0
- -0.9959 -1.9570 -0.0027 C 0 0 0
- 2.2360 0.7732 -0.0008 C 0 0 0
- -2.4902 -0.0733 0.0007 C 0 0 0
- 2.4838 -0.6722 0.0009 C 0 0 0
- -2.2544 -1.4486 -0.0063 C 0 0 0
- 3.3417 1.6507 -0.0001 C 0 0 0
- -3.8867 0.4187 0.0030 N 0 3 0
- 3.8186 -1.1315 0.0038 C 0 0 0
- 4.6003 1.1423 0.0039 C 0 0 0
- -4.8115 -0.3738 0.0073 O 0 0 0
- -4.1106 1.6159 0.0004 O 0 5 0
- 4.8360 -0.2330 0.0031 C 0 0 0
- 0.7536 2.2912 0.0000 H 0 0 0
- -1.6766 1.8507 0.0000 H 0 0 0
- 1.5917 -2.5974 0.0000 H 0 0 0
- -0.8464 -2.9916 0.0000 H 0 0 0
- -3.0684 -2.1046 0.0000 H 0 0 0
- 3.1922 2.6853 0.0000 H 0 0 0
- 4.0222 -2.1569 0.0000 H 0 0 0
- 5.4143 1.7983 0.0000 H 0 0 0
- 5.8219 -0.5805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6325-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.8484 0.5413 -0.0543 C 0 0 0
- 0.1073 -0.6825 -0.3644 C 0 0 0
- 2.3134 0.4718 0.0429 C 0 0 0
- 0.1787 1.7386 0.1371 C 0 0 0
- -1.2793 -0.6526 -0.4644 C 0 0 0
- 0.8420 -1.9298 -0.5670 C 0 0 0
- 2.9603 -0.7648 -0.1641 C 0 0 0
- 3.0681 1.6090 0.3356 C 0 0 0
- -1.2148 1.7756 0.0326 C 0 0 0
- -1.9603 0.5507 -0.2673 C 0 0 0
- -2.0432 -1.9119 -0.7831 C 0 0 0
- 2.1848 -1.9620 -0.4714 C 0 0 0
- 4.3578 -0.8290 -0.0710 C 0 0 0
- 4.4388 1.5137 0.4198 C 0 0 0
- -1.9288 2.9759 0.2206 C 0 0 0
- -3.3656 0.6183 -0.3604 C 0 0 0
- -2.4749 -2.7572 0.7498 Cl 0 0 0
- 5.0748 0.2956 0.2167 C 0 0 0
- -3.2832 2.9742 0.1109 C 0 0 0
- -3.9940 1.8064 -0.1620 C 0 0 0
- 0.7168 2.6288 0.0000 H 0 0 0
- 0.3150 -2.8266 0.0000 H 0 0 0
- 2.6084 2.5421 0.0000 H 0 0 0
- -2.5657 -1.0125 0.0000 H 0 0 0
- -3.0830 -1.9400 0.0000 H 0 0 0
- 2.6707 -2.8817 0.0000 H 0 0 0
- 4.8369 -1.7523 0.0000 H 0 0 0
- 5.0084 2.3841 0.0000 H 0 0 0
- -1.4151 3.8804 0.0000 H 0 0 0
- -3.9236 -0.2596 0.0000 H 0 0 0
- 6.1140 0.2507 0.0000 H 0 0 0
- -3.7934 3.8807 0.0000 H 0 0 0
- -5.0337 1.8377 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 16 20 2 0
- 7 12 2 0
- 9 10 1 0
- 14 18 1 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.0000 0.6105 0.0435 C 0 0 0
- -1.2492 1.1355 0.7539 C 0 0 0
- 1.2492 1.1355 0.7539 C 0 0 0
- 0.0000 -1.3550 0.0847 Br 0 0 0
- -2.8545 0.4609 -0.1590 Br 0 0 0
- 2.8545 0.4609 -0.1590 Br 0 0 0
- 0.0000 1.9165 0.0000 H 0 0 0
- -0.4524 2.1702 0.0000 H 0 0 0
- -2.0460 2.1702 0.0000 H 0 0 0
- 2.0460 2.1702 0.0000 H 0 0 0
- 0.4524 2.1702 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1199-18-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.6850 -0.1151 0.3713 C 0 0 0
- -0.2461 1.1805 0.1446 C 0 0 0
- 0.2123 -1.1666 0.3391 C 0 0 0
- -2.1409 -0.3768 0.6593 C 0 0 0
- 1.0946 1.4240 -0.1145 C 0 0 0
- -1.1304 2.2129 0.1768 O 0 0 0
- 1.5517 -0.9278 0.0802 C 0 0 0
- -2.8946 -0.5703 -0.6580 C 0 0 0
- 1.9947 0.3718 -0.1471 C 0 0 0
- 2.4340 -1.9632 0.0482 O 0 0 0
- -4.3138 -0.8254 -0.3772 N 0 0 0
- 3.3095 0.6083 -0.4014 O 0 0 0
- -0.1330 -2.1306 0.0000 H 0 0 0
- -1.8176 0.5948 0.0000 H 0 0 0
- -2.8392 0.3721 0.0000 H 0 0 0
- 1.4378 2.3887 0.0000 H 0 0 0
- -1.7965 2.9906 0.0000 H 0 0 0
- -3.2179 -1.5419 0.0000 H 0 0 0
- -2.1963 -1.3192 0.0000 H 0 0 0
- 3.0981 -2.7426 0.0000 H 0 0 0
- -4.9746 -0.0432 0.0000 H 0 0 0
- -4.6608 -1.7888 0.0000 H 0 0 0
- 4.3173 0.7896 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 7 9 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6530-27-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.8166 0.4942 -0.0013 C 0 0 0
- -0.5411 0.6295 -0.0015 N 0 0 0
- 1.6345 1.6292 -0.0015 C 0 0 0
- 1.3946 -0.7803 0.0048 C 0 0 0
- -1.2936 -0.4182 -0.0014 N 0 0 0
- 3.0038 1.4886 -0.0013 C 0 0 0
- 2.7643 -0.9125 0.0049 C 0 0 0
- -2.6541 -0.2827 -0.0016 C 0 0 0
- 3.5748 0.2194 -0.0011 C 0 0 0
- -3.4724 -1.4152 -0.0014 C 0 0 0
- -3.2330 0.9894 0.0039 C 0 0 0
- 4.9604 0.0813 -0.0010 N 0 0 0
- -4.8442 -1.2707 -0.0017 C 0 0 0
- -4.6059 1.1184 0.0037 C 0 0 0
- 5.5433 -1.2092 -0.0007 O 0 0 0
- -5.4102 -0.0081 -0.0020 C 0 0 0
- 1.2093 2.5762 0.0000 H 0 0 0
- 0.7909 -1.6248 0.0000 H 0 0 0
- 3.6114 2.3304 0.0000 H 0 0 0
- 3.1938 -1.8576 0.0000 H 0 0 0
- -3.0490 -2.3631 0.0000 H 0 0 0
- -2.6309 1.8351 0.0000 H 0 0 0
- 5.5661 0.9244 0.0000 H 0 0 0
- -5.4534 -2.1113 0.0000 H 0 0 0
- -5.0373 2.0627 0.0000 H 0 0 0
- 5.9706 -2.1553 0.0000 H 0 0 0
- -6.4432 0.0948 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 2 0
- 7 9 1 0
- 14 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129-79-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.5976 -0.2136 -0.0070 C 0 0 0
- -0.8858 -0.3034 0.0002 C 0 0 0
- 0.9652 1.1424 0.0009 C 0 0 0
- 1.5841 -1.1893 -0.0142 C 0 0 0
- -1.4144 0.9978 0.0126 C 0 0 0
- -1.7475 -1.3915 -0.0035 C 0 0 0
- -0.2780 1.9492 0.0134 C 0 0 0
- 2.3092 1.4957 -0.0034 C 0 0 0
- 2.9215 -0.8236 -0.0196 C 0 0 0
- 1.2086 -2.6210 -0.0156 N 0 3 0
- -2.7917 1.1861 0.0206 C 0 0 0
- -3.1187 -1.1903 0.0049 C 0 0 0
- -0.3516 3.1612 0.0229 O 0 0 0
- 3.2821 0.5095 -0.0153 C 0 0 0
- 1.6893 -3.3775 0.8092 O 0 0 0
- 0.4189 -3.0427 -0.8415 O 0 5 0
- -3.6380 0.0899 0.0165 C 0 0 0
- 4.7136 0.8860 -0.0203 N 0 3 0
- -5.1045 0.2906 0.0256 N 0 3 0
- 5.5709 0.0208 -0.0308 O 0 0 0
- 5.0343 2.0610 -0.0140 O 0 5 0
- -5.8509 -0.6719 0.0220 O 0 0 0
- -5.5648 1.4182 0.0367 O 0 5 0
- -1.3641 -2.3581 0.0000 H 0 0 0
- 2.5841 2.4986 0.0000 H 0 0 0
- 3.6578 -1.5579 0.0000 H 0 0 0
- -3.1858 2.1484 0.0000 H 0 0 0
- -3.7608 -2.0082 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 11 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 18 21 1 0
- 19 22 2 0
- 19 23 1 0
- 5 7 1 0
- 9 14 2 0
- 12 17 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-55-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- 0.4943 -0.5256 -0.1764 C 0 0 0
- -0.9669 -0.1691 -0.2703 C 0 0 0
- 1.5143 0.3470 -0.1327 O 0 0 0
- 0.9978 -1.7715 -0.1163 C 0 0 0
- -1.7582 -1.1930 0.3884 O 0 0 0
- -1.1955 1.1103 0.3771 O 0 0 0
- 2.6746 -0.3244 -0.0498 C 0 0 0
- 2.4034 -1.6418 -0.0369 C 0 0 0
- -3.0573 -1.3373 0.0831 C 0 0 0
- -2.2825 1.8344 0.0675 C 0 0 0
- 4.0231 0.2826 0.0188 N 0 3 0
- -3.9104 -2.3075 0.8589 C 0 0 0
- -3.5427 -0.6893 -0.8138 O 0 0 0
- -2.5906 3.0958 0.8324 C 0 0 0
- -3.0140 1.4749 -0.8244 O 0 0 0
- 5.0085 -0.4295 0.0920 O 0 0 0
- 4.1471 1.4942 0.0021 O 0 5 0
- -1.9183 0.0643 0.0000 H 0 0 0
- 0.4880 -2.6080 0.0000 H 0 0 0
- 3.0566 -2.3718 0.0000 H 0 0 0
- -4.6460 -1.6607 0.0000 H 0 0 0
- -4.5572 -3.0431 0.0000 H 0 0 0
- -3.1748 -2.9543 0.0000 H 0 0 0
- -1.6390 3.3282 0.0000 H 0 0 0
- -2.8230 4.0474 0.0000 H 0 0 0
- -3.5422 2.8634 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 9 13 2 0
- 10 14 1 0
- 10 15 2 0
- 11 16 2 0
- 11 17 1 0
- 7 8 2 0
- 2 18 1 0
- 4 19 1 0
- 8 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 14 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-544-63-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 0.4727 -0.5762 0.0000 C 0 0 0
- -0.7473 0.3470 0.0000 C 0 0 0
- 1.7498 0.2664 0.0000 C 0 0 0
- -2.0244 -0.4956 0.0000 C 0 0 0
- 2.9699 -0.6568 0.0000 C 0 0 0
- -3.2445 0.4275 0.0000 C 0 0 0
- 4.2470 0.1858 0.0000 C 0 0 0
- -4.5216 -0.4151 0.0000 C 0 0 0
- 5.4671 -0.7374 0.0000 C 0 0 0
- -5.7417 0.5081 0.0000 C 0 0 0
- 6.7249 0.0926 0.0000 C 0 0 0
- -7.0187 -0.3345 0.0000 C 0 0 0
- 7.9253 -0.5081 0.0000 O 0 0 0
- 6.6529 1.2987 0.0000 O 0 0 0
- -8.2388 0.5887 0.0000 C 0 0 0
- -9.5159 -0.2539 0.0000 C 0 0 0
- -0.3187 -1.4071 0.0000 H 0 0 0
- 1.2089 -1.4565 0.0000 H 0 0 0
- 0.0441 1.1779 0.0000 H 0 0 0
- -1.4835 1.2273 0.0000 H 0 0 0
- 2.5412 1.0973 0.0000 H 0 0 0
- 1.0136 1.1467 0.0000 H 0 0 0
- -2.8158 -1.3266 0.0000 H 0 0 0
- -1.2882 -1.3758 0.0000 H 0 0 0
- 2.1785 -1.4877 0.0000 H 0 0 0
- 3.7061 -1.5371 0.0000 H 0 0 0
- -2.4531 1.2585 0.0000 H 0 0 0
- -3.9807 1.3077 0.0000 H 0 0 0
- 5.0384 1.0167 0.0000 H 0 0 0
- 3.5108 1.0661 0.0000 H 0 0 0
- -5.3130 -1.2460 0.0000 H 0 0 0
- -3.7854 -1.2954 0.0000 H 0 0 0
- 4.6757 -1.5684 0.0000 H 0 0 0
- 6.2033 -1.6176 0.0000 H 0 0 0
- -4.9503 1.3391 0.0000 H 0 0 0
- -6.4779 1.3883 0.0000 H 0 0 0
- -7.8101 -1.1655 0.0000 H 0 0 0
- -6.2825 -1.2147 0.0000 H 0 0 0
- 8.9515 -1.0216 0.0000 H 0 0 0
- -7.4474 1.4196 0.0000 H 0 0 0
- -8.9750 1.4690 0.0000 H 0 0 0
- -10.1478 0.7039 0.0000 H 0 0 0
- -10.4737 -0.8858 0.0000 H 0 0 0
- -8.8840 -1.2117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 15 16 1 0
- 1 17 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 16 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1728-32-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.7680 -0.2151 0.2389 C 0 0 0
- 0.2122 -1.2440 0.7282 C 0 0 0
- -0.4099 1.0537 0.0488 C 0 0 0
- -2.0433 -0.5877 -0.0199 O 0 0 0
- 1.3106 -1.4112 -0.2839 C 0 0 0
- 0.9273 1.5433 0.3143 C 0 0 0
- -2.7337 0.5824 -0.4628 C 0 0 0
- 2.1301 -0.4176 -0.5889 C 0 0 0
- 2.0535 0.8915 0.0320 C 0 0 0
- -0.6751 -1.6804 0.0000 H 0 0 0
- 0.3629 -2.2212 0.0000 H 0 0 0
- -1.1351 1.7258 0.0000 H 0 0 0
- 1.6636 -2.3348 0.0000 H 0 0 0
- 1.0131 2.5283 0.0000 H 0 0 0
- -1.8821 1.0849 0.0000 H 0 0 0
- -3.2362 1.4340 0.0000 H 0 0 0
- -3.5853 0.0799 0.0000 H 0 0 0
- 3.0700 -0.7245 0.0000 H 0 0 0
- 2.8953 1.4103 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 6 9 2 0
- 8 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26148-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.3096 -0.5710 -0.0011 C 0 0 0
- -1.1621 -0.4982 -0.0006 C 0 0 0
- 0.7773 0.7521 -0.0004 C 0 0 0
- 1.2224 -1.6264 0.0030 C 0 0 0
- -1.4897 0.8659 0.0004 C 0 0 0
- -2.1717 -1.4576 -0.0014 C 0 0 0
- -0.3135 1.5964 0.0005 N 0 0 0
- 2.0843 0.9904 -0.0002 N 0 0 0
- 2.5704 -1.3259 0.0010 C 0 0 0
- -2.8281 1.2452 0.0010 C 0 0 0
- -3.4921 -1.0623 -0.0012 C 0 0 0
- 2.9700 0.0088 -0.0007 C 0 0 0
- -3.8175 0.2854 0.0007 C 0 0 0
- 4.3254 0.3142 -0.0010 N 0 0 0
- 0.8958 -2.6147 0.0000 H 0 0 0
- -1.9298 -2.4700 0.0000 H 0 0 0
- -0.2600 2.6359 0.0000 H 0 0 0
- 3.2796 -2.0878 0.0000 H 0 0 0
- -3.0826 2.2545 0.0000 H 0 0 0
- -4.2477 -1.7782 0.0000 H 0 0 0
- -4.8174 0.5749 0.0000 H 0 0 0
- 5.0313 -0.4508 0.0000 H 0 0 0
- 4.6350 1.3080 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2945-03-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 2.9561 -0.0016 0.4076 C 0 0 0
- 1.5654 -0.0038 0.9881 C 0 0 0
- 3.5941 1.1967 0.1458 C 0 0 0
- 3.5960 -1.1976 0.1422 C 0 0 0
- 0.5827 0.0003 -0.0985 N 0 0 0
- 4.8695 1.1986 -0.3866 C 0 0 0
- 4.8719 -1.1957 -0.3903 C 0 0 0
- -0.7350 -0.0007 0.1846 C 0 0 0
- 5.5074 0.0023 -0.6574 C 0 0 0
- -1.7458 0.0035 -0.9331 C 0 0 0
- -1.1072 -0.0051 1.3389 O 0 0 0
- -3.5601 0.0007 -0.1758 Br 0 0 0
- 1.0622 -0.8709 0.0000 H 0 0 0
- 2.0664 -0.8722 0.0000 H 0 0 0
- 3.0774 2.0558 0.0000 H 0 0 0
- 3.0814 -2.0580 0.0000 H 0 0 0
- 0.5844 1.0028 0.0000 H 0 0 0
- 5.3847 2.0586 0.0000 H 0 0 0
- 5.3893 -2.0544 0.0000 H 0 0 0
- 6.5099 0.0034 0.0000 H 0 0 0
- -1.2426 0.8706 0.0000 H 0 0 0
- -2.2468 0.8719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 10 12 1 0
- 7 9 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1874-23-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.7744 0.2023 -0.0033 C 0 0 0
- -0.3431 -0.5540 -0.0030 O 0 0 0
- 0.3959 1.5153 -0.0008 C 0 0 0
- 2.1515 -0.2966 -0.0003 C 0 0 0
- -1.4191 0.2431 -0.0005 C 0 0 0
- -1.0071 1.5304 0.0010 C 0 0 0
- 3.1836 0.5721 -0.0009 O 0 0 0
- 2.3645 -1.4940 0.0027 O 0 0 0
- -2.8280 -0.2109 0.0006 N 0 3 0
- 4.5488 0.0775 0.0021 C 0 0 0
- -3.7312 0.6062 0.0030 O 0 0 0
- -3.0841 -1.4017 -0.0009 O 0 5 0
- 1.0092 2.3214 0.0000 H 0 0 0
- -1.5998 2.3517 0.0000 H 0 0 0
- 4.2038 -0.8748 0.0000 H 0 0 0
- 5.5011 -0.2675 0.0000 H 0 0 0
- 4.8938 1.0298 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 5 6 2 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1187-42-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.4863 -0.4790 -0.0015 C 0 0 0
- -0.4863 0.4790 -0.0001 C 0 0 0
- 1.8667 -0.0980 -0.0010 C 0 0 0
- 0.1359 -1.8272 0.0023 N 0 0 0
- -1.8667 0.0980 -0.0006 C 0 0 0
- -0.1359 1.8272 0.0019 N 0 0 0
- 2.9617 0.2042 -0.0006 N 0 0 0
- -2.9617 -0.2042 -0.0010 N 0 0 0
- -0.8712 -2.1052 0.0000 H 0 0 0
- 0.8802 -2.5604 0.0000 H 0 0 0
- 0.8712 2.1052 0.0000 H 0 0 0
- -0.8802 2.5604 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 3 0
- 8 5 3 0
- 4 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-612-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.7279 0.5453 -0.0030 C 0 0 0
- -1.1338 -0.8122 -0.0009 C 0 0 0
- 0.5736 0.8507 -0.0025 N 0 0 0
- -1.7091 1.5521 0.0001 C 0 0 0
- -0.1502 -1.8193 0.0013 C 0 0 0
- -2.5023 -1.1272 -0.0005 C 0 0 0
- 1.4935 -0.0850 0.0000 C 0 0 0
- -3.0265 1.2111 0.0052 C 0 0 0
- 1.1613 -1.4395 0.0013 C 0 0 0
- -3.4235 -0.1247 -0.0022 C 0 0 0
- 3.1674 0.3750 0.0005 Cl 0 0 0
- -1.4277 2.5591 0.0000 H 0 0 0
- -0.4166 -2.8304 0.0000 H 0 0 0
- -2.8120 -2.1259 0.0000 H 0 0 0
- -3.7526 1.9635 0.0000 H 0 0 0
- 1.9158 -2.1634 0.0000 H 0 0 0
- -4.4422 -0.3602 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -1.8135 -0.1439 0.0035 C 0 0 0
- -1.0097 -1.2686 0.0041 C 0 0 0
- -1.2898 1.2128 0.0017 C 0 0 0
- -3.1839 -0.4063 -0.0013 C 0 0 0
- 0.3678 -1.0832 0.0021 C 0 0 0
- -1.9166 -2.4752 0.0064 C 0 0 0
- 0.0959 1.3941 0.0013 C 0 0 0
- -2.2245 2.2666 0.0009 C 0 0 0
- -3.3524 -1.9062 -0.0040 C 0 0 0
- -4.0354 0.6527 -0.0024 C 0 0 0
- 0.9204 0.2753 0.0011 C 0 0 0
- 1.2771 -2.2266 0.0006 C 0 0 0
- -3.5532 1.9641 0.0016 C 0 0 0
- -5.5225 0.4090 -0.0077 C 0 0 0
- 2.3832 0.4341 0.0005 C 0 0 0
- 2.6113 -2.0471 -0.0024 C 0 0 0
- 3.2037 -0.7131 -0.0032 C 0 0 0
- 2.9650 1.7026 0.0048 C 0 0 0
- 4.5968 -0.5573 -0.0066 C 0 0 0
- 4.3367 1.8232 0.0030 C 0 0 0
- 5.1436 0.6932 -0.0038 C 0 0 0
- -2.3879 -3.4114 0.0000 H 0 0 0
- -1.0260 -3.0279 0.0000 H 0 0 0
- 0.5068 2.3583 0.0000 H 0 0 0
- -1.9041 3.2646 0.0000 H 0 0 0
- -4.3796 -1.6976 0.0000 H 0 0 0
- -3.6509 -2.9109 0.0000 H 0 0 0
- 0.8858 -3.1989 0.0000 H 0 0 0
- -4.2452 2.7513 0.0000 H 0 0 0
- -5.6920 1.4433 0.0000 H 0 0 0
- -6.5568 0.2395 0.0000 H 0 0 0
- -5.3530 -0.6253 0.0000 H 0 0 0
- 3.2400 -2.8857 0.0000 H 0 0 0
- 2.3609 2.5592 0.0000 H 0 0 0
- 5.2185 -1.4011 0.0000 H 0 0 0
- 4.7751 2.7753 0.0000 H 0 0 0
- 6.1861 0.8020 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 15 17 1 0
- 15 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 6 9 1 0
- 7 11 2 0
- 10 13 1 0
- 16 17 1 0
- 20 21 2 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97461-43-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.3498 1.0737 -0.0071 C 0 0 0
- -1.0613 -0.0602 -0.1774 O 0 0 0
- 1.0592 1.1917 -0.0703 C 0 0 0
- -1.2417 2.0989 0.2339 C 0 0 0
- -2.3676 0.2092 -0.0475 C 0 0 0
- 1.8461 0.2127 0.4449 C 0 0 0
- -2.5231 1.5290 0.2006 C 0 0 0
- -3.4645 -0.7776 -0.1675 N 0 3 0
- 3.1198 -0.0368 -0.1134 C 0 0 0
- 1.3610 -0.6079 1.6121 C 0 0 0
- -4.6214 -0.4219 -0.0303 O 0 0 0
- -3.2103 -1.9451 -0.4034 O 0 5 0
- 3.9023 -1.0103 0.3989 O 0 0 0
- 3.5116 0.6259 -1.0560 O 0 0 0
- 5.1080 -1.0176 -0.3682 C 0 0 0
- 1.4428 2.0863 0.0000 H 0 0 0
- -1.0310 3.0493 0.0000 H 0 0 0
- -3.3691 2.0106 0.0000 H 0 0 0
- 0.5230 -0.1125 0.0000 H 0 0 0
- 0.8656 -1.4459 0.0000 H 0 0 0
- 2.1990 -1.1033 0.0000 H 0 0 0
- 5.1021 -1.9910 0.0000 H 0 0 0
- 6.0814 -1.0235 0.0000 H 0 0 0
- 5.1139 -0.0442 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 1 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 9 14 2 0
- 13 15 1 0
- 5 7 2 0
- 3 16 1 0
- 4 17 1 0
- 7 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 15 22 1 0
- 15 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60-09-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.3151 0.3079 -0.0013 C 0 0 0
- -0.0313 0.5287 -0.0015 N 0 0 0
- 2.2031 1.3890 -0.0014 C 0 0 0
- 1.8115 -1.0005 0.0046 C 0 0 0
- -0.8485 -0.4694 -0.0015 N 0 0 0
- 3.5608 1.1621 -0.0013 C 0 0 0
- 3.1701 -1.2191 0.0047 C 0 0 0
- -2.1977 -0.2482 -0.0016 C 0 0 0
- 4.0505 -0.1406 -0.0012 C 0 0 0
- -3.0862 -1.3271 -0.0016 C 0 0 0
- -2.6950 1.0576 0.0041 C 0 0 0
- 5.4246 -0.3659 -0.0016 N 0 0 0
- -4.4456 -1.0963 -0.0017 C 0 0 0
- -4.0574 1.2730 0.0039 C 0 0 0
- -4.9309 0.2000 -0.0019 C 0 0 0
- 1.8387 2.3608 0.0000 H 0 0 0
- 1.1558 -1.8050 0.0000 H 0 0 0
- 4.2202 1.9636 0.0000 H 0 0 0
- 3.5390 -2.1893 0.0000 H 0 0 0
- -2.7236 -2.2996 0.0000 H 0 0 0
- -2.0409 1.8634 0.0000 H 0 0 0
- 5.7913 -1.3369 0.0000 H 0 0 0
- 6.0822 0.4371 0.0000 H 0 0 0
- -5.1066 -1.8965 0.0000 H 0 0 0
- -4.4282 2.2424 0.0000 H 0 0 0
- -5.9551 0.3679 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 13 15 1 0
- 7 9 1 0
- 14 15 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6428-94-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.0960 0.5129 -0.0015 C 0 0 0
- -0.2541 0.7297 -0.0015 N 0 0 0
- 1.9806 1.5944 -0.0018 C 0 0 0
- 1.5977 -0.7915 0.0046 C 0 0 0
- -1.0680 -0.2710 -0.0012 N 0 0 0
- 3.3413 1.3680 -0.0013 C 0 0 0
- 2.9604 -1.0024 0.0050 C 0 0 0
- -2.4135 -0.0550 -0.0012 C 0 0 0
- 3.8307 0.0738 -0.0006 C 0 0 0
- -3.3024 -1.1421 -0.0009 C 0 0 0
- -2.9155 1.2511 0.0043 C 0 0 0
- 5.2922 -0.1609 -0.0006 N 0 3 0
- -4.6670 -0.9134 -0.0010 C 0 0 0
- -2.8246 -2.4126 -0.0011 O 0 0 0
- -4.2750 1.4645 0.0043 C 0 0 0
- 5.7263 -1.2990 0.0000 O 0 0 0
- 6.0608 0.7840 -0.0013 O 0 5 0
- -5.1537 0.3858 -0.0012 C 0 0 0
- -6.4936 0.6055 -0.0013 O 0 0 0
- 1.6154 2.5641 0.0000 H 0 0 0
- 0.9473 -1.5981 0.0000 H 0 0 0
- 3.9985 2.1690 0.0000 H 0 0 0
- 3.3337 -1.9689 0.0000 H 0 0 0
- -2.2642 2.0569 0.0000 H 0 0 0
- -5.3259 -1.7130 0.0000 H 0 0 0
- -2.4599 -3.3824 0.0000 H 0 0 0
- -4.6456 2.4321 0.0000 H 0 0 0
- -7.5161 0.7732 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 12 17 1 0
- 13 18 2 0
- 18 19 1 0
- 7 9 1 0
- 15 18 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-161697-00-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -0.1367 0.4065 0.0032 C 0 0 0
- -0.3601 -0.9943 0.0010 C 0 0 0
- 1.1796 0.8946 0.0027 C 0 0 0
- -1.1819 1.2422 0.0003 N 0 0 0
- -1.6128 -1.4617 0.0010 N 0 0 0
- 0.7395 -1.8718 -0.0017 C 0 0 0
- 2.2335 0.0075 0.0000 C 0 0 0
- 1.4380 2.3793 0.0055 C 0 0 0
- -2.4030 0.7574 -0.0047 C 0 0 0
- -2.6223 -0.6212 0.0031 C 0 0 0
- 2.0038 -1.3749 -0.0022 C 0 0 0
- 3.5420 0.4899 -0.0005 N 0 0 0
- -3.5792 1.6995 -0.0075 C 0 0 0
- -4.0331 -1.1511 0.0032 C 0 0 0
- 4.6681 -0.4470 -0.0034 C 0 0 0
- 0.5832 -2.9091 0.0000 H 0 0 0
- 2.4714 2.1994 0.0000 H 0 0 0
- 1.6179 3.4127 0.0000 H 0 0 0
- 0.4046 2.5592 0.0000 H 0 0 0
- 2.8191 -2.0349 0.0000 H 0 0 0
- 3.7199 1.5237 0.0000 H 0 0 0
- -2.9234 2.5182 0.0000 H 0 0 0
- -4.3979 2.3553 0.0000 H 0 0 0
- -4.2350 0.8808 0.0000 H 0 0 0
- -4.4019 -0.1691 0.0000 H 0 0 0
- -5.0151 -1.5199 0.0000 H 0 0 0
- -3.6643 -2.1331 0.0000 H 0 0 0
- 3.9972 -1.2534 0.0000 H 0 0 0
- 5.4745 -1.1179 0.0000 H 0 0 0
- 5.3390 0.3594 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 7 11 1 0
- 9 10 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2304-83-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.2699 0.6620 0.0018 C 0 0 0
- -1.0490 -0.5214 0.0006 C 0 0 0
- 1.1397 0.5599 0.0014 C 0 0 0
- -0.9038 1.9209 -0.0023 C 0 0 0
- -2.5109 -0.3989 0.0008 C 0 0 0
- -0.4294 -1.7713 -0.0004 C 0 0 0
- 1.7350 -0.7128 -0.0001 C 0 0 0
- 1.9709 1.7629 0.0020 C 0 0 0
- -2.2495 2.0337 -0.0076 C 0 0 0
- -3.0852 0.8920 0.0025 C 0 0 0
- -3.3358 -1.5250 -0.0009 C 0 0 0
- 0.9469 -1.8650 -0.0003 C 0 0 0
- 3.2103 -0.8106 -0.0006 C 0 0 0
- 3.3186 1.6987 0.0011 C 0 0 0
- -4.4807 1.0205 0.0027 C 0 0 0
- -4.7034 -1.3654 -0.0011 C 0 0 0
- 4.0002 0.4611 0.0006 C 0 0 0
- 3.7645 -1.8900 -0.0014 O 0 0 0
- -5.2668 -0.0954 0.0014 C 0 0 0
- 5.2153 0.4292 0.0001 O 0 0 0
- -0.3156 2.7919 0.0000 H 0 0 0
- -1.0135 -2.6451 0.0000 H 0 0 0
- 1.5050 2.7050 0.0000 H 0 0 0
- -2.6854 2.9901 0.0000 H 0 0 0
- -2.9157 -2.4884 0.0000 H 0 0 0
- 1.4055 -2.8107 0.0000 H 0 0 0
- 3.8747 2.5906 0.0000 H 0 0 0
- -4.9214 1.9747 0.0000 H 0 0 0
- -5.3266 -2.2117 0.0000 H 0 0 0
- -6.3128 0.0075 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 13 18 2 0
- 15 19 2 0
- 17 20 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 19 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4659-45-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0012 0.2467 -0.1337 C 0 0 0
- -1.2134 0.9331 0.0047 C 0 0 0
- 1.2063 0.9408 0.0033 C 0 0 0
- 0.0033 -1.1974 -0.4157 C 0 0 0
- -1.2084 2.2866 0.2748 C 0 0 0
- -2.7185 0.0845 -0.1634 Cl 0 0 0
- 1.1928 2.2947 0.2735 C 0 0 0
- 2.7167 0.1018 -0.1653 Cl 0 0 0
- 0.0015 -1.5914 -1.5632 O 0 0 0
- 0.0114 -2.3374 0.8935 Cl 0 0 0
- -0.0098 2.9651 0.4088 C 0 0 0
- -2.0998 2.8085 0.0000 H 0 0 0
- 2.0809 2.8223 0.0000 H 0 0 0
- -0.0132 3.9981 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 7 11 2 0
- 5 12 1 0
- 7 13 1 0
- 11 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105427-03-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 2.7404 0.1776 -0.6127 C 0 0 0
- 1.3107 -0.2013 -0.3241 C 0 0 0
- 3.2652 1.0786 0.5070 C 0 0 0
- 3.5832 -0.3126 0.4320 O 0 0 0
- 0.3697 0.7567 -0.2091 N 0 0 0
- 1.0068 -1.3684 -0.1954 O 0 0 0
- -0.9769 0.4019 -0.0729 C 0 0 0
- -1.9599 1.3825 -0.0894 C 0 0 0
- -1.3337 -0.9324 0.0733 C 0 0 0
- -3.2884 1.0289 0.0448 C 0 0 0
- -2.6636 -1.2793 0.2070 C 0 0 0
- -3.6399 -0.2998 0.1955 C 0 0 0
- 2.1154 0.9977 0.0000 H 0 0 0
- 4.1712 1.5707 0.0000 H 0 0 0
- 2.5471 1.8185 0.0000 H 0 0 0
- 0.6431 1.7509 0.0000 H 0 0 0
- -1.6928 2.3784 0.0000 H 0 0 0
- -0.6069 -1.6637 0.0000 H 0 0 0
- -4.0180 1.7574 0.0000 H 0 0 0
- -2.9346 -2.2741 0.0000 H 0 0 0
- -4.6356 -0.5674 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 5 7 1 0
- 7 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 2 0
- 3 4 1 0
- 11 12 1 0
- 1 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134308-13-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.1479 -0.0437 0.8331 C 0 0 0
- -1.1587 0.4164 1.3393 C 0 0 0
- 1.0862 0.8839 0.3701 C 0 0 0
- 0.4537 -1.4083 0.8206 C 0 0 0
- -2.3688 0.2672 0.5041 C 0 0 0
- -1.2404 0.9184 2.4437 O 0 0 0
- 2.3061 0.4524 -0.1018 C 0 0 0
- 1.6787 -1.8336 0.3461 C 0 0 0
- -3.6265 0.5665 1.0319 C 0 0 0
- -2.2591 -0.1684 -0.8185 C 0 0 0
- 2.6076 -0.9033 -0.1191 C 0 0 0
- 3.2979 1.4357 -0.5921 N 0 3 0
- 1.9796 -3.1598 0.3329 O 0 0 0
- -4.7519 0.4250 0.2467 C 0 0 0
- -3.3924 -0.3055 -1.5921 C 0 0 0
- 3.8115 -1.3234 -0.5857 O 0 0 0
- 3.5185 2.4487 0.0472 O 0 0 0
- 3.8935 1.2319 -1.6348 O 0 5 0
- -4.6365 -0.0125 -1.0609 C 0 0 0
- -5.8705 -0.1651 -1.9124 C 0 0 0
- 0.8772 1.8194 0.0000 H 0 0 0
- -0.2616 -2.0465 0.0000 H 0 0 0
- -3.5745 1.5237 0.0000 H 0 0 0
- -1.4689 -0.7111 0.0000 H 0 0 0
- 2.1917 -4.0946 0.0000 H 0 0 0
- -5.5464 0.9614 0.0000 H 0 0 0
- -3.4455 -1.2626 0.0000 H 0 0 0
- 4.7166 -1.6392 0.0000 H 0 0 0
- -5.9881 0.7863 0.0000 H 0 0 0
- -6.8219 -0.2827 0.0000 H 0 0 0
- -5.7529 -1.1165 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 2 0
- 19 20 1 0
- 8 11 2 0
- 15 19 1 0
- 3 21 1 0
- 4 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 20 29 1 0
- 20 30 1 0
- 20 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97747-88-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 74 1 V2000
- -1.3348 -0.6541 0.0271 C 0 0 0
- -0.6782 -1.0514 1.3252 C 0 0 2
- -0.5199 0.0092 -1.0657 C 0 0 2
- -2.6338 -0.8389 -0.1999 C 0 0 0
- 0.6250 -1.7596 0.9816 C 0 0 1
- -1.5403 -1.9592 2.1854 C 0 0 0
- 0.8381 -0.6903 -1.2340 C 0 0 0
- -0.2920 1.4549 -0.7065 C 0 0 0
- -3.5058 -1.4173 0.8222 C 0 0 0
- -3.2513 -0.4267 -1.5167 C 0 0 0
- 1.4752 -0.7700 0.1418 C 0 0 2
- 1.5455 -2.0226 2.1810 C 0 0 0
- -2.9896 -1.4773 2.2390 C 0 0 0
- 0.5864 2.2203 -1.4509 C 0 0 0
- -0.9663 2.0145 0.3636 C 0 0 0
- -4.7331 -1.8741 0.4933 C 0 0 0
- -4.2208 -1.5237 -1.9670 C 0 0 0
- 2.8740 -1.3811 0.1845 C 0 0 1
- 1.4852 0.6078 0.8070 C 0 0 0
- 2.9468 -2.1503 1.5260 C 0 0 0
- 0.7976 3.5457 -1.1243 C 0 0 0
- -0.7599 3.3388 0.6954 C 0 0 0
- -5.1621 -1.8710 -0.8455 C 0 0 0
- 3.0646 -2.3291 -0.9714 C 0 0 0
- 3.8648 -0.3520 0.1479 O 0 0 0
- 0.1264 4.1093 -0.0469 C 0 0 0
- -6.3151 -2.1543 -1.1021 O 0 0 0
- 4.2387 -2.8672 -1.1903 C 0 0 0
- 0.3380 5.4491 0.2863 N 0 0 0
- 5.3935 -2.5549 -0.2738 C 0 0 0
- -0.3709 6.0419 1.4231 C 0 0 0
- 1.2687 6.2616 -0.5009 C 0 0 0
- 6.4965 -2.0734 -1.0443 O 0 0 0
- -0.2289 -0.2685 0.0000 H 0 0 0
- -1.3023 0.4592 0.0000 H 0 0 0
- 0.2835 -2.5951 0.0000 H 0 0 0
- -1.9468 -2.7651 0.0000 H 0 0 0
- -0.8022 -2.4788 0.0000 H 0 0 0
- 0.1411 -1.2639 0.0000 H 0 0 0
- 1.0894 -1.5573 0.0000 H 0 0 0
- -2.7169 0.3007 0.0000 H 0 0 0
- -3.9539 0.1400 0.0000 H 0 0 0
- 0.9372 -2.6895 0.0000 H 0 0 0
- 1.8721 -2.8641 0.0000 H 0 0 0
- -2.3573 -0.8332 0.0000 H 0 0 0
- -3.2902 -0.6262 0.0000 H 0 0 0
- 1.3759 1.7828 0.0000 H 0 0 0
- -1.8105 1.6951 0.0000 H 0 0 0
- -4.5763 -2.7630 0.0000 H 0 0 0
- -4.2259 -2.4263 0.0000 H 0 0 0
- -3.3775 -1.8456 0.0000 H 0 0 0
- 2.3878 0.6012 0.0000 H 0 0 0
- 1.4918 1.5104 0.0000 H 0 0 0
- 0.5826 0.6144 0.0000 H 0 0 0
- 2.9205 -3.0526 0.0000 H 0 0 0
- 3.8490 -2.1209 0.0000 H 0 0 0
- 1.6433 3.8613 0.0000 H 0 0 0
- -1.5499 3.7754 0.0000 H 0 0 0
- 2.3569 -2.8894 0.0000 H 0 0 0
- 4.4908 0.2982 0.0000 H 0 0 0
- 4.1640 -3.7667 0.0000 H 0 0 0
- 5.2051 -3.4376 0.0000 H 0 0 0
- 6.0927 -3.1258 0.0000 H 0 0 0
- 0.2081 6.7343 0.0000 H 0 0 0
- -1.0633 6.6209 0.0000 H 0 0 0
- -0.9499 5.3495 0.0000 H 0 0 0
- 1.8623 5.5816 0.0000 H 0 0 0
- 1.9487 6.8552 0.0000 H 0 0 0
- 0.6751 6.9416 0.0000 H 0 0 0
- 7.3238 -1.7123 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 15 22 2 0
- 16 23 1 0
- 18 24 1 0
- 18 25 1 0
- 21 26 2 0
- 23 27 2 0
- 24 28 2 0
- 26 29 1 0
- 28 30 1 0
- 29 31 1 0
- 29 32 1 0
- 30 33 1 0
- 7 11 1 0
- 9 13 1 0
- 17 23 1 0
- 18 20 1 0
- 22 26 1 0
- 2 34 1 0
- 3 35 1 0
- 5 36 1 0
- 6 37 1 0
- 6 38 1 0
- 7 39 1 0
- 7 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 19 52 1 0
- 19 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 24 59 1 0
- 25 60 1 0
- 28 61 1 0
- 30 62 1 0
- 30 63 1 0
- 31 64 1 0
- 31 65 1 0
- 31 66 1 0
- 32 67 1 0
- 32 68 1 0
- 32 69 1 0
- 33 70 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-60-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 67 1 V2000
- 0.0444 1.8915 -0.4312 C 0 0 0
- -1.2464 1.2518 0.0110 C 0 0 0
- 1.2078 1.1118 0.1252 C 0 0 0
- 0.1156 1.8928 -1.9595 C 0 0 0
- -1.5847 -0.0079 -0.4471 C 0 0 0
- -2.0879 1.9235 0.8788 C 0 0 0
- 1.4488 -0.1768 -0.3150 C 0 0 0
- 2.0357 1.6879 1.0706 C 0 0 0
- 1.3434 2.6856 -2.4122 C 0 0 0
- -2.7674 -0.5968 -0.0429 C 0 0 0
- -3.2716 1.3393 1.2856 C 0 0 0
- -1.7134 3.2942 1.3808 C 0 0 0
- 2.5148 -0.8934 0.1930 C 0 0 0
- 3.1033 0.9753 1.5820 C 0 0 0
- 1.7738 3.0947 1.5435 C 0 0 0
- 1.4146 2.6869 -3.9405 C 0 0 0
- -3.6156 0.0770 0.8234 C 0 0 0
- -3.1357 -1.9698 -0.5431 C 0 0 0
- 3.3440 -0.3193 1.1459 C 0 0 0
- 2.7766 -2.2978 -0.2868 C 0 0 0
- -4.7797 -0.4999 1.2222 O 0 0 0
- -2.0255 -2.4950 -1.4556 C 0 0 0
- -3.3087 -2.9165 0.6464 C 0 0 0
- -4.4468 -1.8920 -1.3278 C 0 0 0
- 4.3934 -1.0223 1.6473 O 0 0 0
- 1.7096 -2.6947 -1.3089 C 0 0 0
- 4.1585 -2.3642 -0.9401 C 0 0 0
- 2.7275 -3.2602 0.9016 C 0 0 0
- -0.1874 2.8419 0.0000 H 0 0 0
- -0.1924 0.9643 0.0000 H 0 0 0
- 0.8891 1.2939 0.0000 H 0 0 0
- -0.8275 -0.6273 0.0000 H 0 0 0
- 0.6316 -0.7145 0.0000 H 0 0 0
- 1.6514 3.6141 0.0000 H 0 0 0
- 0.5699 3.2845 0.0000 H 0 0 0
- -4.0266 1.9614 0.0000 H 0 0 0
- -0.7697 3.0364 0.0000 H 0 0 0
- -1.4556 4.2379 0.0000 H 0 0 0
- -2.6571 3.5520 0.0000 H 0 0 0
- 3.9199 1.5139 0.0000 H 0 0 0
- 2.7355 3.2737 0.0000 H 0 0 0
- 1.5948 4.0564 0.0000 H 0 0 0
- 0.8121 2.9157 0.0000 H 0 0 0
- 1.4325 1.7088 0.0000 H 0 0 0
- 2.3927 2.7048 0.0000 H 0 0 0
- 1.3967 3.6650 0.0000 H 0 0 0
- -5.6562 -0.9343 0.0000 H 0 0 0
- -2.4438 -3.3793 0.0000 H 0 0 0
- -1.1412 -2.9133 0.0000 H 0 0 0
- -1.6072 -1.6107 0.0000 H 0 0 0
- -4.2710 -2.7406 0.0000 H 0 0 0
- -3.4846 -3.8788 0.0000 H 0 0 0
- -2.3464 -3.0924 0.0000 H 0 0 0
- -4.3889 -0.9155 0.0000 H 0 0 0
- -5.4233 -1.8341 0.0000 H 0 0 0
- -4.5047 -2.8685 0.0000 H 0 0 0
- 5.2061 -1.5668 0.0000 H 0 0 0
- 1.3685 -1.7778 0.0000 H 0 0 0
- 0.7927 -3.0358 0.0000 H 0 0 0
- 2.0507 -3.6116 0.0000 H 0 0 0
- 4.1115 -3.3413 0.0000 H 0 0 0
- 5.1356 -2.4112 0.0000 H 0 0 0
- 4.2055 -1.3871 0.0000 H 0 0 0
- 1.7505 -3.2104 0.0000 H 0 0 0
- 2.6777 -4.2372 0.0000 H 0 0 0
- 3.7045 -3.3100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 10 18 1 0
- 13 19 1 0
- 13 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 18 24 1 0
- 19 25 1 0
- 20 26 1 0
- 20 27 1 0
- 20 28 1 0
- 11 17 1 0
- 14 19 2 0
- 1 29 1 0
- 4 30 1 0
- 4 31 1 0
- 5 32 1 0
- 7 33 1 0
- 9 34 1 0
- 9 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 12 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 15 43 1 0
- 16 44 1 0
- 16 45 1 0
- 16 46 1 0
- 21 47 1 0
- 22 48 1 0
- 22 49 1 0
- 22 50 1 0
- 23 51 1 0
- 23 52 1 0
- 23 53 1 0
- 24 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 26 58 1 0
- 26 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-01-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- 0.0917 0.4443 -0.7374 C 0 0 0
- -0.8328 -0.0710 0.2812 N 0 0 0
- 1.4451 0.7472 -0.0912 C 0 0 0
- -1.9622 0.8666 0.3393 C 0 0 0
- -1.3638 -1.3401 -0.2341 C 0 0 0
- 2.0723 -0.4768 0.2968 O 0 0 0
- 0.3041 1.4540 0.0000 H 0 0 0
- -0.7391 1.0562 0.0000 H 0 0 0
- 2.3998 1.1386 0.0000 H 0 0 0
- 1.1356 1.7315 0.0000 H 0 0 0
- -1.3032 1.6605 0.0000 H 0 0 0
- -2.7561 1.5256 0.0000 H 0 0 0
- -2.6212 0.0727 0.0000 H 0 0 0
- -2.3156 -0.9419 0.0000 H 0 0 0
- -1.7621 -2.2919 0.0000 H 0 0 0
- -0.4120 -1.7384 0.0000 H 0 0 0
- 2.5428 -1.3950 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22994-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 2.4532 0.8279 0.5542 N 0 0 0
- 3.3432 -0.0902 0.1198 C 0 0 0
- 3.0423 2.0565 0.4230 C 0 0 0
- 1.1065 0.5596 1.0645 C 0 0 0
- 4.4281 0.5266 -0.2619 N 0 0 0
- 3.1246 -1.5538 0.0832 N 0 3 0
- 4.2711 1.8470 -0.0867 C 0 0 0
- 0.1227 0.5843 -0.0767 C 0 0 0
- 3.4776 -2.1982 -0.8882 O 0 0 0
- 2.5917 -2.1137 1.0245 O 0 5 0
- -1.1860 0.3618 0.1567 N 0 0 0
- 0.5085 0.8043 -1.2053 O 0 0 0
- -2.1424 0.3858 -0.9528 C 0 0 0
- -3.5277 0.1098 -0.4278 C 0 0 0
- -4.3319 1.1559 -0.0161 C 0 0 0
- -3.9964 -1.1893 -0.3632 C 0 0 0
- -5.6028 0.9027 0.4656 C 0 0 0
- -5.2670 -1.4424 0.1183 C 0 0 0
- -6.0693 -0.3965 0.5355 C 0 0 0
- 2.5919 2.9272 0.0000 H 0 0 0
- 0.6584 -0.3122 0.0000 H 0 0 0
- 1.6969 -0.2229 0.0000 H 0 0 0
- 4.9815 2.5224 0.0000 H 0 0 0
- -1.1158 -0.6160 0.0000 H 0 0 0
- -1.6943 1.2576 0.0000 H 0 0 0
- -2.7328 1.1683 0.0000 H 0 0 0
- -3.9872 2.0735 0.0000 H 0 0 0
- -3.3570 -1.9323 0.0000 H 0 0 0
- -6.2428 1.6452 0.0000 H 0 0 0
- -5.6122 -2.3599 0.0000 H 0 0 0
- -7.0378 -0.5477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 8 11 1 0
- 8 12 2 0
- 11 13 1 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 5 7 1 0
- 18 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 7 23 1 0
- 11 24 1 0
- 13 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71382-54-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.1027 -0.3611 -0.0981 C 0 0 0
- -0.0235 -1.7367 -0.1800 C 0 0 0
- 1.1027 0.4982 -0.0808 C 0 0 0
- -1.3810 0.2510 -0.0220 C 0 0 0
- 1.3253 -2.4147 -0.2544 C 0 0 0
- -1.1766 -2.5172 -0.1958 C 0 0 0
- 2.3870 -0.0343 -0.1454 C 0 0 0
- 0.9419 1.8850 0.0026 C 0 0 0
- -2.5425 -0.5565 -0.0330 C 0 0 0
- -1.5095 1.6449 0.0643 C 0 0 0
- 2.5805 -1.5296 -0.2338 C 0 0 0
- 2.0647 -2.1595 0.9890 N 0 0 0
- -2.4135 -1.9530 -0.1302 C 0 0 0
- 3.4871 0.7976 -0.1276 C 0 0 0
- 2.0475 2.7085 0.0202 C 0 0 0
- -3.8065 0.0543 0.0429 C 0 0 0
- -2.7496 2.2038 0.1367 C 0 0 0
- 3.3194 2.1687 -0.0452 C 0 0 0
- -3.8946 1.4102 0.1260 C 0 0 0
- 1.2557 -3.4567 0.0000 H 0 0 0
- -1.0895 -3.5579 0.0000 H 0 0 0
- -0.0169 2.2990 0.0000 H 0 0 0
- -0.6593 2.2514 0.0000 H 0 0 0
- 3.5845 -1.8169 0.0000 H 0 0 0
- 2.6617 -3.0164 0.0000 H 0 0 0
- -3.2650 -2.5576 0.0000 H 0 0 0
- 4.4486 0.3901 0.0000 H 0 0 0
- 1.9231 3.7454 0.0000 H 0 0 0
- -4.6726 -0.5291 0.0000 H 0 0 0
- -2.8448 3.2438 0.0000 H 0 0 0
- 4.1536 2.7970 0.0000 H 0 0 0
- -4.8350 1.8644 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 14 18 1 0
- 16 19 2 0
- 7 11 1 0
- 9 13 1 0
- 11 12 1 0
- 15 18 2 0
- 17 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-120-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.9258 0.2860 0.0029 C 0 0 0
- -1.1451 -1.0846 0.0006 C 0 0 0
- 0.3662 0.7780 0.0028 C 0 0 0
- -2.2726 1.3814 -0.0014 Cl 0 0 0
- -0.0672 -1.9574 -0.0018 C 0 0 0
- -2.4147 -1.5708 0.0011 O 0 0 0
- 1.4395 -0.0950 0.0005 C 0 0 0
- 1.2223 -1.4616 -0.0018 C 0 0 0
- 3.0610 0.5250 -0.0002 Cl 0 0 0
- 0.5310 1.8026 0.0000 H 0 0 0
- -0.2293 -2.9825 0.0000 H 0 0 0
- -3.3839 -1.9420 0.0000 H 0 0 0
- 2.0288 -2.1147 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 2.0999 -0.5578 0.0010 C 0 0 0
- 1.9172 -1.7592 0.0022 O 0 0 0
- 3.3552 -0.0671 -0.0047 O 0 0 0
- 0.9496 0.3621 -0.0002 C 0 0 0
- -0.3743 -0.1465 -0.0001 C 0 0 0
- 1.1503 1.7357 0.0042 C 0 0 0
- -1.4589 0.7635 -0.0014 C 0 0 0
- -0.6069 -1.4593 0.0007 N 0 0 0
- 0.0717 2.6100 0.0031 C 0 0 0
- -1.2104 2.1458 -0.0031 C 0 0 0
- -2.7729 0.2574 -0.0013 C 0 0 0
- -1.8295 -1.9363 0.0003 C 0 0 0
- -2.9415 -1.0985 0.0000 C 0 0 0
- 4.3250 0.3120 0.0000 H 0 0 0
- 2.1202 2.1144 0.0000 H 0 0 0
- 0.2447 3.6368 0.0000 H 0 0 0
- -2.0063 2.8171 0.0000 H 0 0 0
- -3.5933 0.8986 0.0000 H 0 0 0
- -1.9715 -2.9678 0.0000 H 0 0 0
- -3.9003 -1.5046 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 2 0
- 11 7 1 0
- 12 8 2 0
- 13 11 2 0
- 9 10 1 0
- 12 13 1 0
- 3 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-86-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -1.4255 -0.0005 0.0000 C 0 0 0
- -0.7151 -1.1914 0.0000 C 0 0 0
- -0.7164 1.1907 0.0000 C 0 0 0
- 0.6661 -1.1516 0.0000 C 0 0 0
- 0.6653 1.1521 0.0000 C 0 0 0
- 1.3078 0.0006 0.0000 N 0 0 0
- -2.4620 -0.0010 0.0000 H 0 0 0
- -1.2139 -2.1000 0.0000 H 0 0 0
- -1.2160 2.0988 0.0000 H 0 0 0
- 1.2041 -2.0376 0.0000 H 0 0 0
- 1.2025 2.0385 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 6 1 0
- 5 6 2 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23102-68-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 22 1 V2000
- 0.7613 -2.0587 -0.3574 C 0 0 0
- -0.7614 -2.0587 -0.3577 C 0 0 0
- 1.4979 -0.7330 -0.1900 C 0 0 0
- -0.0002 -2.3051 0.8264 O 0 0 0
- -1.4979 -0.7329 -0.1902 C 0 0 0
- 0.7591 0.4409 -0.0419 C 0 0 0
- 2.8668 -0.6498 -0.1789 C 0 0 0
- -0.7591 0.4410 -0.0417 C 0 0 0
- -2.8668 -0.6496 -0.1793 C 0 0 0
- 1.4648 1.6253 0.1080 C 0 0 0
- 3.1589 1.0903 0.0411 S 0 0 0
- -1.4647 1.6253 0.1085 C 0 0 0
- -3.1588 1.0904 0.0412 S 0 0 0
- 1.4530 -2.8997 0.0000 H 0 0 0
- -1.4531 -2.8996 0.0000 H 0 0 0
- 3.5950 -1.4593 0.0000 H 0 0 0
- -3.5951 -1.4591 0.0000 H 0 0 0
- 1.0774 2.6429 0.0000 H 0 0 0
- -1.0772 2.6429 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 9 13 1 0
- 2 4 1 0
- 6 8 1 0
- 10 11 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-873-69-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.1124 -0.2890 0.0029 C 0 0 0
- 1.0580 -1.3149 0.0013 C 0 0 0
- 0.4968 0.9823 0.0019 N 0 0 0
- -1.3274 -0.6193 -0.0004 C 0 0 0
- 2.4032 -0.9891 -0.0014 C 0 0 0
- 1.7698 1.3182 -0.0006 C 0 0 0
- -2.2078 0.3274 0.0010 N 0 0 0
- 2.7601 0.3519 -0.0023 C 0 0 0
- -3.5880 0.0108 -0.0022 O 0 0 0
- 0.7569 -2.3084 0.0000 H 0 0 0
- -1.6323 -1.6116 0.0000 H 0 0 0
- 3.1289 -1.7313 0.0000 H 0 0 0
- 2.0342 2.3220 0.0000 H 0 0 0
- 3.7609 0.6276 0.0000 H 0 0 0
- -4.5998 -0.2213 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 6 8 2 0
- 2 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58071-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-207213 1 V2000
- 5.3447 0.0443 2.1995 C 0 0 1
- 5.1605 0.1099 0.6820 C 0 0 2
- 6.6568 0.4966 2.5400 O 0 0 0
- 4.3206 0.9247 2.8683 C 0 0 0
- 5.8620 -1.0137 0.0560 N 0 0 0
- 5.7257 1.4069 0.1630 C 0 0 0
- 7.2711 -0.5494 3.2955 C 0 0 1
- 3.0129 0.6419 3.0213 C 0 0 0
- 4.5531 2.1247 3.4205 N 0 0 0
- 5.3674 -1.5771 -1.0640 C 0 0 0
- 4.9083 2.4528 -0.0702 N 0 0 0
- 6.9162 1.5095 -0.0449 O 0 0 0
- 8.5135 -0.0049 4.0039 C 0 0 1
- 6.3446 -1.0470 4.2591 O 0 0 0
- 2.4521 1.7042 3.6776 N 0 0 0
- 3.4381 2.5984 3.9057 C 0 0 0
- 6.0116 -2.7875 -1.6327 C 0 0 0
- 4.3945 -1.0943 -1.6081 O 0 0 0
- 5.4641 3.7297 -0.5249 C 0 0 1
- 9.4463 0.4708 3.0314 O 0 0 0
- 8.0989 1.1504 4.9221 C 0 0 2
- 5.8535 0.0675 5.0013 C 0 0 2
- 5.7049 -3.9989 -1.1682 N 0 0 0
- 6.9401 -2.6756 -2.6621 C 0 0 0
- 4.4551 4.4287 -1.4382 C 0 0 2
- 5.7573 4.6182 0.6857 C 0 0 0
- 10.7328 0.4600 3.6532 C 0 0 2
- 6.9800 0.6625 5.8494 C 0 0 1
- 7.6204 2.2397 4.1306 O 0 0 0
- 4.7146 -0.3900 5.9148 C 0 0 0
- 6.2707 -5.0772 -1.6660 C 0 0 0
- 7.5171 -3.8475 -3.1616 C 0 0 0
- 7.3137 -1.3283 -3.2243 C 0 0 0
- 3.9542 3.4418 -2.4946 C 0 0 1
- 5.0847 5.5378 -2.0829 O 0 0 0
- 11.6314 1.5027 2.9843 C 0 0 2
- 11.3143 -0.8355 3.5201 O 0 0 0
- 7.4936 -0.3393 6.7295 O 0 0 0
- 3.8472 -1.2661 5.1923 O 0 0 0
- 5.8913 -6.4249 -1.1086 C 0 0 1
- 7.1592 -5.0148 -2.6381 N 0 0 0
- 8.4470 -3.7920 -4.1866 N 0 0 0
- 2.8138 4.0615 -3.2604 C 0 0 0
- 5.0933 3.1058 -3.4593 C 0 0 0
- 11.7519 1.1745 1.4918 C 0 0 2
- 12.9275 1.4704 3.5852 O 0 0 0
- 11.2745 -1.1866 2.1382 C 0 0 1
- 5.2671 -7.2334 -2.1643 N 0 0 0
- 7.1452 -7.1360 -0.5958 C 0 0 0
- 2.2109 3.3704 -4.2480 N 0 0 0
- 2.4386 5.1822 -2.9880 O 0 0 0
- 12.2174 -0.2787 1.3453 C 0 0 1
- 12.7266 2.0591 0.8788 O 0 0 0
- 11.7084 -2.6441 1.9696 C 0 0 0
- 3.8455 -7.3582 -1.8156 C 0 0 0
- 8.1103 -7.3369 -1.7356 C 0 0 0
- 1.0285 3.9236 -4.9129 C 0 0 2
- 12.1892 -0.6511 -0.0340 O 0 0 0
- 12.4022 2.7552 -0.2270 C 0 0 0
- 10.8224 -3.4926 2.7023 O 0 0 0
- 3.1070 -8.0881 -2.9393 C 0 0 1
- 9.3479 -7.8131 -1.4947 N 0 0 0
- 7.7734 -7.0699 -2.8697 O 0 0 0
- -0.2036 3.5763 -4.1177 C 0 0 0
- 0.9112 3.3327 -6.3193 C 0 0 1
- 13.3171 3.5516 -0.8145 N 0 0 0
- 11.2845 2.6655 -0.6953 O 0 0 0
- 1.8141 -8.6512 -2.4078 C 0 0 0
- 2.8193 -7.1458 -4.0289 N 0 0 0
- -1.4163 3.9835 -4.5418 N 0 0 0
- -0.1038 2.9302 -3.0962 O 0 0 0
- 1.7616 4.1543 -7.2903 C 0 0 0
- 1.3735 1.9806 -6.3080 O 0 0 0
- 1.7841 -9.8938 -1.8868 N 0 0 0
- 0.8007 -7.9862 -2.4488 O 0 0 0
- -2.6141 3.6459 -3.7688 C 0 0 0
- -3.8489 4.2236 -4.4633 C 0 0 0
- -5.0810 3.8763 -3.6681 C 0 0 0
- -5.6486 4.5510 -2.6994 N 0 0 0
- -6.1095 2.4849 -3.8105 S 0 0 0
- -6.7403 4.1065 -2.0934 C 0 0 0
- -7.2641 2.9111 -2.5151 C 0 0 0
- -7.3735 4.8745 -1.0012 C 0 0 0
- -8.4517 4.5853 -0.2946 N 0 0 0
- -6.8777 6.4332 -0.2847 S 0 0 0
- -8.8621 5.4163 0.6540 C 0 0 0
- -8.1527 6.5671 0.8868 C 0 0 0
- -10.0624 5.1062 1.4491 C 0 0 0
- -10.7513 3.9718 1.2148 N 0 0 0
- -10.4318 5.8739 2.3172 O 0 0 0
- -11.9453 3.6634 2.0057 C 0 0 0
- -12.5337 2.3294 1.5419 C 0 0 0
- -13.7806 2.0072 2.3679 C 0 0 0
- -14.3455 0.7264 1.9226 N 0 0 0
- -15.5328 0.4779 2.7511 C 0 0 0
- -16.1744 -0.8483 2.3381 C 0 0 0
- -17.4110 -1.1072 3.2011 C 0 0 0
- -18.0253 -2.3770 2.8056 N 0 0 0
- -19.1537 -2.8201 3.4437 C 0 0 0
- -19.7857 -4.1264 3.0369 C 0 0 0
- -19.6767 -2.1175 4.3951 N 0 0 0
- -20.4398 -3.9703 1.6626 C 0 0 0
- -20.7531 -5.3528 1.0869 C 0 0 0
- -21.7365 -3.1705 1.8029 C 0 0 0
- -21.4073 -5.1967 -0.2874 C 0 0 0
- -22.3907 -3.0144 0.4286 C 0 0 0
- -22.7040 -4.3969 -0.1470 C 0 0 0
- -23.4749 -4.2129 -1.7665 Cl 0 0 0
- 5.3400 -0.8795 0.0000 H 0 0 0
- 4.2391 0.0420 0.0000 H 0 0 0
- 6.7828 -1.0886 0.0000 H 0 0 0
- 7.6754 -1.3801 0.0000 H 0 0 0
- 2.6227 -0.1955 0.0000 H 0 0 0
- 3.9918 2.3363 0.0000 H 0 0 0
- 8.9089 -0.8398 0.0000 H 0 0 0
- 1.5422 1.8643 0.0000 H 0 0 0
- 3.2841 3.5093 0.0000 H 0 0 0
- 6.3272 3.4002 0.0000 H 0 0 0
- 8.9571 1.4924 0.0000 H 0 0 0
- 5.4651 0.9057 0.0000 H 0 0 0
- 3.6413 4.8659 0.0000 H 0 0 0
- 6.6346 4.3287 0.0000 H 0 0 0
- 6.0468 5.4955 0.0000 H 0 0 0
- 4.8800 4.9077 0.0000 H 0 0 0
- 10.3514 1.3015 0.0000 H 0 0 0
- 6.5793 1.4950 0.0000 H 0 0 0
- 7.2488 3.0855 0.0000 H 0 0 0
- 4.7197 0.5338 0.0000 H 0 0 0
- 3.8612 -0.0362 0.0000 H 0 0 0
- 8.2040 -1.5752 0.0000 H 0 0 0
- 7.5606 -0.4380 0.0000 H 0 0 0
- 6.4234 -1.0814 0.0000 H 0 0 0
- 3.6010 2.5881 0.0000 H 0 0 0
- 5.5408 6.3412 0.0000 H 0 0 0
- 11.2570 2.3473 0.0000 H 0 0 0
- 7.9151 -1.1614 0.0000 H 0 0 0
- 3.1972 -1.9226 0.0000 H 0 0 0
- 5.0659 -6.0098 0.0000 H 0 0 0
- 8.9558 -4.5631 0.0000 H 0 0 0
- 8.8604 -2.9658 0.0000 H 0 0 0
- 4.8319 2.2197 0.0000 H 0 0 0
- 5.9794 2.8444 0.0000 H 0 0 0
- 5.3547 3.9919 0.0000 H 0 0 0
- 10.8782 0.8743 0.0000 H 0 0 0
- 13.8511 1.4474 0.0000 H 0 0 0
- 10.3542 -1.2680 0.0000 H 0 0 0
- 5.7104 -8.0440 0.0000 H 0 0 0
- 6.4014 -7.6839 0.0000 H 0 0 0
- 7.3421 -8.0386 0.0000 H 0 0 0
- 2.4016 2.4664 0.0000 H 0 0 0
- 13.1349 -0.1707 0.0000 H 0 0 0
- 12.2343 -3.4036 0.0000 H 0 0 0
- 12.5413 -2.2443 0.0000 H 0 0 0
- 4.0339 -6.4538 0.0000 H 0 0 0
- 3.0340 -6.9166 0.0000 H 0 0 0
- 1.1036 4.8444 0.0000 H 0 0 0
- 12.1194 -1.5723 0.0000 H 0 0 0
- 10.1552 -4.1316 0.0000 H 0 0 0
- 3.6249 -8.8531 0.0000 H 0 0 0
- 9.4917 -8.7257 0.0000 H 0 0 0
- 10.0663 -7.2323 0.0000 H 0 0 0
- -0.0106 3.2711 0.0000 H 0 0 0
- 14.1908 3.2514 0.0000 H 0 0 0
- 13.1402 4.4584 0.0000 H 0 0 0
- 3.4496 -6.4704 0.0000 H 0 0 0
- 1.9192 -6.9376 0.0000 H 0 0 0
- -1.3936 4.9071 0.0000 H 0 0 0
- 2.4035 3.4899 0.0000 H 0 0 0
- 2.4260 4.7962 0.0000 H 0 0 0
- 1.1197 4.8187 0.0000 H 0 0 0
- 1.6724 1.1064 0.0000 H 0 0 0
- 0.9731 -10.3363 0.0000 H 0 0 0
- 2.5728 -10.3749 0.0000 H 0 0 0
- -3.2259 2.9536 0.0000 H 0 0 0
- -2.1227 2.8636 0.0000 H 0 0 0
- -3.2371 4.9159 0.0000 H 0 0 0
- -4.3403 5.0059 0.0000 H 0 0 0
- -8.1143 2.5495 0.0000 H 0 0 0
- -8.5603 7.3962 0.0000 H 0 0 0
- -10.2004 3.2302 0.0000 H 0 0 0
- -11.9730 4.5868 0.0000 H 0 0 0
- -12.8521 3.8403 0.0000 H 0 0 0
- -12.5059 1.4060 0.0000 H 0 0 0
- -11.6269 2.1525 0.0000 H 0 0 0
- -13.8084 2.9306 0.0000 H 0 0 0
- -14.6874 2.1841 0.0000 H 0 0 0
- -13.7640 0.0085 0.0000 H 0 0 0
- -15.5211 1.4017 0.0000 H 0 0 0
- -16.4320 0.6900 0.0000 H 0 0 0
- -16.1860 -1.7721 0.0000 H 0 0 0
- -15.2752 -1.0604 0.0000 H 0 0 0
- -17.3994 -0.1834 0.0000 H 0 0 0
- -18.3102 -0.8951 0.0000 H 0 0 0
- -17.3975 -3.0547 0.0000 H 0 0 0
- -20.0643 -5.0072 0.0000 H 0 0 0
- -18.9272 -4.4678 0.0000 H 0 0 0
- -20.2283 -1.3764 0.0000 H 0 0 0
- -20.0856 -3.1170 0.0000 H 0 0 0
- -20.9641 -6.2522 0.0000 H 0 0 0
- -19.8529 -5.5604 0.0000 H 0 0 0
- -20.9744 -2.6483 0.0000 H 0 0 0
- -21.9048 -2.2621 0.0000 H 0 0 0
- -22.1694 -5.7189 0.0000 H 0 0 0
- -21.2390 -6.1051 0.0000 H 0 0 0
- -22.1797 -2.1150 0.0000 H 0 0 0
- -23.2909 -2.8068 0.0000 H 0 0 0
- -23.0582 -5.2501 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 7 3 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 2 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 17 23 2 0
- 17 24 1 0
- 19 25 1 0
- 19 26 1 0
- 27 20 1 0
- 21 28 1 0
- 21 29 1 0
- 22 30 1 0
- 23 31 1 0
- 24 32 2 0
- 24 33 1 0
- 25 34 1 0
- 25 35 1 0
- 27 36 1 0
- 27 37 1 0
- 28 38 1 0
- 30 39 1 0
- 31 40 1 0
- 31 41 2 0
- 32 42 1 0
- 34 43 1 0
- 34 44 1 0
- 36 45 1 0
- 36 46 1 0
- 37 47 1 0
- 40 48 1 0
- 40 49 1 0
- 43 50 1 0
- 43 51 2 0
- 45 52 1 0
- 45 53 1 0
- 47 54 1 0
- 48 55 1 0
- 49 56 1 0
- 57 50 1 0
- 52 58 1 0
- 53 59 1 0
- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 56 63 2 0
- 57 64 1 0
- 57 65 1 0
- 59 66 1 0
- 59 67 2 0
- 61 68 1 0
- 61 69 1 0
- 64 70 1 0
- 64 71 2 0
- 65 72 1 0
- 65 73 1 0
- 68 74 1 0
- 68 75 2 0
- 70 76 1 0
- 76 77 1 0
- 77 78 1 0
- 78 79 2 0
- 78 80 1 0
- 79 81 1 0
- 80 82 1 0
- 81 83 1 0
- 83 84 2 0
- 83 85 1 0
- 84 86 1 0
- 85 87 1 0
- 86 88 1 0
- 88 89 1 0
- 88 90 2 0
- 89 91 1 0
- 91 92 1 0
- 92 93 1 0
- 93 94 1 0
- 94 95 1 0
- 95 96 1 0
- 96 97 1 0
- 97 98 1 0
- 98 99 1 0
- 99100 1 0
- 99101 2 0
-100102 1 0
-102103 1 0
-102104 1 0
-103105 1 0
-104106 1 0
-105107 1 0
-107108 1 0
- 15 16 1 0
- 22 28 1 0
- 32 41 1 0
- 47 52 1 0
- 81 82 2 0
- 86 87 2 0
-106107 1 0
- 1109 1 0
- 2110 1 0
- 5111 1 0
- 7112 1 0
- 8113 1 0
- 11114 1 0
- 13115 1 0
- 15116 1 0
- 16117 1 0
- 19118 1 0
- 21119 1 0
- 22120 1 0
- 25121 1 0
- 26122 1 0
- 26123 1 0
- 26124 1 0
- 27125 1 0
- 28126 1 0
- 29127 1 0
- 30128 1 0
- 30129 1 0
- 33130 1 0
- 33131 1 0
- 33132 1 0
- 34133 1 0
- 35134 1 0
- 36135 1 0
- 38136 1 0
- 39137 1 0
- 40138 1 0
- 42139 1 0
- 42140 1 0
- 44141 1 0
- 44142 1 0
- 44143 1 0
- 45144 1 0
- 46145 1 0
- 47146 1 0
- 48147 1 0
- 49148 1 0
- 49149 1 0
- 50150 1 0
- 52151 1 0
- 54152 1 0
- 54153 1 0
- 55154 1 0
- 55155 1 0
- 57156 1 0
- 58157 1 0
- 60158 1 0
- 61159 1 0
- 62160 1 0
- 62161 1 0
- 65162 1 0
- 66163 1 0
- 66164 1 0
- 69165 1 0
- 69166 1 0
- 70167 1 0
- 72168 1 0
- 72169 1 0
- 72170 1 0
- 73171 1 0
- 74172 1 0
- 74173 1 0
- 76174 1 0
- 76175 1 0
- 77176 1 0
- 77177 1 0
- 82178 1 0
- 87179 1 0
- 89180 1 0
- 91181 1 0
- 91182 1 0
- 92183 1 0
- 92184 1 0
- 93185 1 0
- 93186 1 0
- 94187 1 0
- 95188 1 0
- 95189 1 0
- 96190 1 0
- 96191 1 0
- 97192 1 0
- 97193 1 0
- 98194 1 0
-100195 1 0
-100196 1 0
-101197 1 0
-102198 1 0
-103199 1 0
-103200 1 0
-104201 1 0
-104202 1 0
-105203 1 0
-105204 1 0
-106205 1 0
-106206 1 0
-107207 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2122-77-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.9262 -0.0710 -0.1280 C 0 0 0
- -0.4077 -1.3562 -0.0502 C 0 0 0
- -0.0717 1.0213 -0.1203 C 0 0 0
- -2.2697 0.1165 -0.2174 O 0 0 0
- 0.9593 -1.5453 0.0349 C 0 0 0
- -1.4750 -2.7254 -0.0591 Cl 0 0 0
- 1.2946 0.8284 -0.0350 C 0 0 0
- -2.4864 1.5276 -0.2812 C 0 0 0
- 1.8101 -0.4547 0.0425 C 0 0 0
- 2.3648 2.1953 -0.0253 Cl 0 0 0
- -3.9868 1.8090 -0.3836 C 0 0 0
- 3.5261 -0.6945 0.1495 Cl 0 0 0
- -4.6508 1.2764 0.7643 O 0 0 0
- -0.4605 1.9852 0.0000 H 0 0 0
- 1.3501 -2.5084 0.0000 H 0 0 0
- -1.4478 1.5689 0.0000 H 0 0 0
- -2.4108 2.5642 0.0000 H 0 0 0
- -3.5612 2.7573 0.0000 H 0 0 0
- -4.8090 2.4449 0.0000 H 0 0 0
- -5.4616 0.6261 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 11 18 1 0
- 11 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74-83-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 5 4 1 V2000
- -1.7091 0.0000 0.0000 C 0 0 0
- 0.2569 0.0000 0.0000 Br 0 0 0
- -1.7091 1.4745 0.0000 H 0 0 0
- -3.1836 0.0000 0.0000 H 0 0 0
- -1.7091 -1.4745 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.6999 -0.6665 -0.3088 C 0 0 0
- -0.6999 -0.6665 0.3088 C 0 0 0
- 1.4076 0.5003 0.1152 O 0 0 0
- -1.4076 0.5003 -0.1152 O 0 0 0
- 0.5149 -1.6731 0.0000 H 0 0 0
- 1.6565 -1.0304 0.0000 H 0 0 0
- -1.6565 -1.0304 0.0000 H 0 0 0
- -0.5149 -1.6731 0.0000 H 0 0 0
- 1.9384 1.3754 0.0000 H 0 0 0
- -1.9384 1.3754 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151109-62-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -0.1202 -0.2205 0.0753 C 0 0 0
- -0.8442 -1.4374 0.0255 C 0 0 0
- 1.2910 -0.2635 0.1402 C 0 0 0
- -0.8142 0.9994 0.0652 C 0 0 0
- -2.2478 -1.4095 -0.0359 C 0 0 0
- -0.1473 -2.6601 0.0392 C 0 0 0
- 1.9407 -1.4896 0.1547 C 0 0 0
- 2.0868 0.9766 0.1918 C 0 0 0
- -2.1685 1.0114 0.0097 C 0 0 0
- -0.0521 2.2985 0.1157 C 0 0 0
- -2.9092 -0.1931 -0.0478 C 0 0 0
- -3.2492 -2.5379 -0.0955 C 0 0 0
- 1.2134 -2.6728 0.1031 C 0 0 0
- 3.4456 -1.5241 0.2274 C 0 0 1
- 3.3750 0.9413 -0.1273 C 0 0 0
- -0.9528 3.3688 0.0914 F 0 0 0
- 0.7027 2.3509 1.2924 F 0 0 0
- 0.8011 2.3819 -0.9898 F 0 0 0
- -4.3668 -0.3943 -0.1138 C 0 0 0
- -4.6348 -1.8793 -0.1464 C 0 0 0
- 4.0296 -0.3453 -0.5484 C 0 0 2
- 3.8584 -1.4468 1.5933 O 0 0 0
- -5.2058 0.4811 -0.1374 O 0 0 0
- 3.8249 -0.5480 -1.9481 O 0 0 0
- -0.6804 -3.5678 0.0000 H 0 0 0
- 1.5947 1.9071 0.0000 H 0 0 0
- -2.6780 1.9325 0.0000 H 0 0 0
- -3.7884 -3.4420 0.0000 H 0 0 0
- -2.3998 -3.1596 0.0000 H 0 0 0
- 1.7228 -3.5939 0.0000 H 0 0 0
- 3.5309 -2.5733 0.0000 H 0 0 0
- 3.9375 1.8310 0.0000 H 0 0 0
- -5.6501 -1.6016 0.0000 H 0 0 0
- -5.0010 -2.8662 0.0000 H 0 0 0
- 5.0822 -0.3397 0.0000 H 0 0 0
- 4.8930 -1.2531 0.0000 H 0 0 0
- 3.0769 -1.2887 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 14 22 1 0
- 19 23 2 0
- 21 24 1 0
- 7 13 1 0
- 9 11 1 0
- 15 21 1 0
- 19 20 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 20 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 24 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98033-23-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4560 0.2082 -0.0023 C 0 0 0
- -1.0004 0.0371 -0.0007 C 0 0 0
- 0.9860 1.5186 -0.0015 C 0 0 0
- 1.3183 -0.8883 0.0012 C 0 0 0
- -1.8196 1.1887 0.0016 C 0 0 0
- -1.5856 -1.2297 -0.0019 C 0 0 0
- 0.1119 2.6304 0.0013 C 0 0 0
- 2.3771 1.6984 -0.0030 C 0 0 0
- 2.6854 -0.6807 0.0000 C 0 0 0
- -1.2272 2.4731 0.0018 C 0 0 0
- -3.2142 1.0403 0.0031 C 0 0 0
- -2.9615 -1.3445 -0.0008 C 0 0 0
- 3.2041 0.6160 -0.0052 C 0 0 0
- 3.5529 -1.7746 0.0040 N 0 0 0
- -3.7666 -0.2053 0.0024 C 0 0 0
- -3.5356 -2.5761 -0.0024 O 0 0 0
- 5.0021 -1.5602 0.0027 C 0 0 0
- 0.9330 -1.8619 0.0000 H 0 0 0
- -0.9852 -2.0876 0.0000 H 0 0 0
- 0.5137 3.5973 0.0000 H 0 0 0
- 2.7799 2.6649 0.0000 H 0 0 0
- -1.8422 3.3205 0.0000 H 0 0 0
- -3.8308 1.8866 0.0000 H 0 0 0
- 4.2415 0.7579 0.0000 H 0 0 0
- 3.1677 -2.7483 0.0000 H 0 0 0
- -4.8086 -0.3087 0.0000 H 0 0 0
- -3.9780 -3.5252 0.0000 H 0 0 0
- 5.1553 -2.5960 0.0000 H 0 0 0
- 6.0379 -1.4070 0.0000 H 0 0 0
- 4.8489 -0.5244 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 1 0
- 7 10 2 0
- 9 13 1 0
- 12 15 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96910-70-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 1.5241 -0.5100 0.0414 C 0 0 2
- 0.4561 -1.5692 0.2198 C 0 0 1
- 1.4353 -1.2903 1.3578 C 0 0 0
- 1.0632 0.9067 0.1844 C 0 0 0
- 2.6766 -0.7571 -0.8976 C 0 0 0
- -0.9508 -1.1018 0.4661 C 0 0 1
- 0.6107 -2.8948 -0.5283 C 0 0 0
- -0.0751 1.2265 0.7117 C 0 0 0
- 1.9640 2.0100 -0.3077 C 0 0 0
- 3.8122 -0.6571 -0.4992 O 0 0 0
- -1.0468 0.2148 1.2480 C 0 0 1
- -1.6947 -0.7989 -0.8508 C 0 0 0
- 1.3385 3.2740 -0.0774 O 0 0 0
- -2.4737 0.7277 0.9319 C 0 0 0
- -2.8790 0.0893 -0.4091 C 0 0 0
- -3.1344 1.1790 -1.4523 C 0 0 0
- -4.1350 -0.7649 -0.2258 C 0 0 0
- 1.5821 -2.2804 0.0000 H 0 0 0
- 2.4361 -1.2733 0.0000 H 0 0 0
- 2.6149 -1.7561 0.0000 H 0 0 0
- -1.2975 -2.0408 0.0000 H 0 0 0
- -0.3835 -3.0108 0.0000 H 0 0 0
- 0.7267 -3.8890 0.0000 H 0 0 0
- 1.6049 -2.7788 0.0000 H 0 0 0
- -0.3381 2.1923 0.0000 H 0 0 0
- 2.6418 1.2735 0.0000 H 0 0 0
- 2.7891 2.5766 0.0000 H 0 0 0
- -0.1053 -0.1249 0.0000 H 0 0 0
- -2.5782 -1.2694 0.0000 H 0 0 0
- -1.6434 -1.7985 0.0000 H 0 0 0
- 0.8946 4.1711 0.0000 H 0 0 0
- -2.0668 1.6422 0.0000 H 0 0 0
- -3.3559 1.2006 0.0000 H 0 0 0
- -2.1599 1.4074 0.0000 H 0 0 0
- -3.3628 2.1535 0.0000 H 0 0 0
- -4.1089 0.9506 0.0000 H 0 0 0
- -4.6979 0.0628 0.0000 H 0 0 0
- -4.9627 -1.3278 0.0000 H 0 0 0
- -3.5721 -1.5926 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 9 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 15 17 1 0
- 2 3 1 0
- 8 11 1 0
- 14 15 1 0
- 3 18 1 0
- 3 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-125973-99-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.1641 0.6633 0.0035 C 0 0 0
- 0.3507 -0.5636 0.0037 C 0 0 0
- 0.9984 1.6283 -0.0006 C 0 0 0
- -1.6277 1.0220 0.0012 C 0 0 0
- 1.8137 -0.4808 -0.0001 C 0 0 0
- 2.2008 0.8085 -0.0026 O 0 0 0
- -2.6161 -0.4860 -0.0014 Cl 0 0 0
- 2.5664 -1.4351 -0.0002 O 0 0 0
- -0.2297 -1.4924 0.0000 H 0 0 0
- 1.6969 2.4719 0.0000 H 0 0 0
- 0.2235 2.4023 0.0000 H 0 0 0
- -1.2484 2.0495 0.0000 H 0 0 0
- -2.6057 1.5150 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 5 6 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3689-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -0.0037 0.4001 -1.0524 O 0 0 0
- -1.2771 -0.0895 -0.1976 P 0 0 0
- 1.3072 -0.0331 -0.2241 P 0 0 0
- -1.5281 0.9299 1.0231 O 0 0 0
- -2.5786 -0.1232 -1.1448 O 0 0 0
- -0.9543 -1.7970 0.4754 S 0 0 0
- 1.4577 -1.6357 -0.2572 O 0 0 0
- 2.6091 0.6420 -0.8884 O 0 0 0
- 1.1434 0.5392 1.5418 S 0 0 0
- -1.6014 2.2405 0.4583 C 0 0 0
- -3.6294 -0.7195 -0.3818 C 0 0 0
- 2.6960 -1.9476 0.3842 C 0 0 0
- 2.3678 2.0498 -0.9317 C 0 0 0
- -1.9757 3.2458 1.5493 C 0 0 0
- -4.9022 -0.7822 -1.2286 C 0 0 0
- 2.9013 -3.4637 0.3867 C 0 0 0
- 3.6193 2.7663 -1.4430 C 0 0 0
- -0.6646 1.8798 0.0000 H 0 0 0
- -0.8876 2.9464 0.0000 H 0 0 0
- -3.9440 -1.6728 0.0000 H 0 0 0
- -2.8531 -1.3559 0.0000 H 0 0 0
- 3.6998 -1.9401 0.0000 H 0 0 0
- 2.8158 -0.9509 0.0000 H 0 0 0
- 1.9739 2.9731 0.0000 H 0 0 0
- 1.4049 1.7661 0.0000 H 0 0 0
- -1.0349 3.5961 0.0000 H 0 0 0
- -2.3260 4.1866 0.0000 H 0 0 0
- -2.9165 2.8955 0.0000 H 0 0 0
- -4.9516 0.2204 0.0000 H 0 0 0
- -5.9048 -0.8316 0.0000 H 0 0 0
- -4.8528 -1.7848 0.0000 H 0 0 0
- 1.9065 -3.5984 0.0000 H 0 0 0
- 3.0360 -4.4585 0.0000 H 0 0 0
- 3.8961 -3.3290 0.0000 H 0 0 0
- 4.1181 1.8951 0.0000 H 0 0 0
- 4.4905 3.2651 0.0000 H 0 0 0
- 3.1205 3.6375 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 2 2 0
- 7 3 1 0
- 8 3 1 0
- 9 3 2 0
- 10 4 1 0
- 11 5 1 0
- 12 7 1 0
- 13 8 1 0
- 14 10 1 0
- 15 11 1 0
- 16 12 1 0
- 17 13 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80984-67-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 46 1 V2000
- 0.8491 -1.0849 0.1696 C 0 0 0
- 1.7686 -2.2700 0.3488 C 0 0 0
- 1.3792 0.1931 0.0157 C 0 0 0
- -0.5132 -1.2796 0.1541 C 0 0 0
- 3.2830 -2.0127 0.3534 C 0 0 0
- 2.5805 -2.4413 -0.8634 N 0 0 0
- 2.8411 0.4405 0.0204 C 0 0 0
- 0.5135 1.2785 -0.1489 C 0 0 0
- -1.3794 -0.1939 -0.0109 C 0 0 0
- 3.7604 -0.5906 0.1796 C 0 0 0
- 3.3032 1.7503 -0.1393 C 0 0 0
- -0.8493 1.0844 -0.1586 C 0 0 0
- -2.8413 -0.4412 -0.0230 C 0 0 0
- 5.1142 -0.3212 0.1790 C 0 0 0
- 4.6570 2.0099 -0.1391 C 0 0 0
- -1.7676 2.2705 -0.3375 C 0 0 0
- -3.7598 0.5907 -0.1820 C 0 0 0
- -3.3048 -1.7513 0.1299 C 0 0 0
- 5.5637 0.9772 0.0208 C 0 0 0
- -3.2822 2.0144 -0.3422 C 0 0 0
- -2.5794 2.4422 0.8747 N 0 0 0
- -5.1138 0.3219 -0.1885 C 0 0 0
- -4.6587 -2.0103 0.1225 C 0 0 0
- -5.5645 -0.9767 -0.0367 C 0 0 0
- 1.2187 -3.1481 0.0000 H 0 0 0
- -0.8953 -2.2426 0.0000 H 0 0 0
- 4.0929 -2.6589 0.0000 H 0 0 0
- 2.7557 -3.4625 0.0000 H 0 0 0
- 0.8959 2.2414 0.0000 H 0 0 0
- 2.6274 2.5357 0.0000 H 0 0 0
- 5.7950 -1.1022 0.0000 H 0 0 0
- 4.9931 2.9899 0.0000 H 0 0 0
- -1.2171 3.1482 0.0000 H 0 0 0
- -2.6295 -2.5371 0.0000 H 0 0 0
- 6.5804 1.1766 0.0000 H 0 0 0
- -4.0918 2.6609 0.0000 H 0 0 0
- -2.7539 3.4635 0.0000 H 0 0 0
- -5.7941 1.1033 0.0000 H 0 0 0
- -4.9955 -2.9901 0.0000 H 0 0 0
- -6.5814 -1.1752 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 13 18 1 0
- 14 19 2 0
- 16 20 1 0
- 16 21 1 0
- 17 22 1 0
- 18 23 2 0
- 22 24 2 0
- 5 6 1 0
- 7 10 2 0
- 9 12 2 0
- 15 19 1 0
- 17 20 1 0
- 20 21 1 0
- 23 24 1 0
- 2 25 1 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 8 29 1 0
- 11 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-885-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.0425 0.6665 -0.0006 C 0 0 0
- -0.5207 -0.5941 0.0636 C 0 0 0
- 1.4172 0.8083 -0.0384 C 0 0 0
- -0.8264 1.8643 -0.0350 N 0 3 0
- 0.2908 -1.7132 0.0899 C 0 0 0
- -2.2727 -0.7749 0.1123 S 0 0 0
- 2.2284 -0.3104 -0.0120 C 0 0 0
- -1.7750 1.9069 -0.7978 O 0 0 0
- -0.5927 2.8074 0.6994 O 0 5 0
- 1.6651 -1.5714 0.0517 C 0 0 0
- -2.7747 -0.7320 -1.3238 O 0 0 0
- -2.5116 -2.1004 0.5654 O 0 0 0
- -2.7657 0.4065 0.7291 O 0 0 0
- 3.7002 -0.1585 -0.0520 N 0 3 0
- 4.4150 -1.1444 -0.0287 O 0 0 0
- 4.1965 0.9524 -0.1081 O 0 5 0
- 1.8398 1.7538 0.0000 H 0 0 0
- -0.1318 -2.6587 0.0000 H 0 0 0
- 2.2725 -2.4102 0.0000 H 0 0 0
- -3.8066 -0.6438 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 6 13 2 0
- 7 14 1 0
- 14 15 2 0
- 14 16 1 0
- 7 10 1 0
- 3 17 1 0
- 5 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2422-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.3336 0.0600 -0.0025 C 0 0 0
- -1.7672 -0.2661 -0.0021 C 0 0 0
- 0.0651 1.4686 0.0000 C 0 0 0
- 0.6234 -0.9409 0.0005 C 0 0 0
- -2.7125 0.7812 0.0008 C 0 0 0
- -2.2014 -1.5923 -0.0034 C 0 0 0
- 1.4120 1.8128 0.0001 C 0 0 0
- -0.9681 2.5030 0.0029 C 0 0 0
- 1.9797 -0.6007 -0.0001 C 0 0 0
- 0.2054 -2.3888 0.0047 C 0 0 0
- -2.2734 2.1731 0.0028 C 0 0 0
- -4.0788 0.4684 0.0013 C 0 0 0
- -3.5507 -1.8674 -0.0019 C 0 0 0
- 2.3821 0.8076 -0.0022 C 0 0 0
- 2.9805 -1.5926 0.0033 C 0 0 0
- -4.4803 -0.8360 -0.0011 C 0 0 0
- 3.7570 1.1196 -0.0020 C 0 0 0
- 4.2887 -1.2248 0.0031 C 0 0 0
- 4.6721 0.1154 -0.0042 C 0 0 0
- -1.5041 -2.3750 0.0000 H 0 0 0
- 1.6981 2.8212 0.0000 H 0 0 0
- -0.6893 3.5135 0.0000 H 0 0 0
- -0.8017 -2.0981 0.0000 H 0 0 0
- -0.0853 -3.3959 0.0000 H 0 0 0
- 1.2125 -2.6795 0.0000 H 0 0 0
- -2.9928 2.9355 0.0000 H 0 0 0
- -4.7923 1.2364 0.0000 H 0 0 0
- -3.8785 -2.8631 0.0000 H 0 0 0
- 2.7177 -2.6073 0.0000 H 0 0 0
- -5.5038 -1.0622 0.0000 H 0 0 0
- 4.0711 2.1197 0.0000 H 0 0 0
- 5.0282 -1.9677 0.0000 H 0 0 0
- 5.6927 0.3546 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 2 0
- 17 19 2 0
- 8 11 2 0
- 9 14 2 0
- 13 16 2 0
- 18 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117333-21-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.9180 -0.8038 0.3500 C 0 0 0
- -2.1588 -0.2364 0.0161 C 0 0 0
- 0.0176 0.3193 0.5088 C 0 0 0
- -0.7921 -2.1872 0.4580 C 0 0 0
- -1.9800 1.1404 -0.0231 N 0 0 0
- -3.2526 -1.0614 -0.1988 C 0 0 0
- -0.6687 1.4442 0.2756 C 0 0 0
- 1.4781 0.2217 0.8672 C 0 0 0
- -1.8900 -2.9923 0.2358 C 0 0 0
- -2.8994 2.0025 -0.2976 N 0 0 0
- -3.1160 -2.4307 -0.0838 C 0 0 0
- 2.3153 0.1762 -0.4127 C 0 0 0
- -2.6365 3.1918 -0.3052 O 0 0 0
- 3.7790 0.2231 -0.0573 C 0 0 0
- 2.0358 -1.0325 -1.1219 O 0 0 0
- 4.2729 1.2740 0.6160 O 0 0 0
- 4.5081 -0.6853 -0.3785 O 0 0 0
- 0.1343 -2.6050 0.0000 H 0 0 0
- -4.1836 -0.6539 0.0000 H 0 0 0
- -0.2751 2.3811 0.0000 H 0 0 0
- 0.9159 -0.6249 0.0000 H 0 0 0
- 1.9339 -0.6866 0.0000 H 0 0 0
- -1.7869 -4.0033 0.0000 H 0 0 0
- -3.9429 -3.0214 0.0000 H 0 0 0
- 2.3266 1.1924 0.0000 H 0 0 0
- 1.8068 -2.0226 0.0000 H 0 0 0
- 4.7052 2.1937 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 2 0
- 5 7 1 0
- 9 11 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.9831 -0.0888 -0.0101 C 0 0 0
- -0.2853 -0.6349 0.0335 C 0 0 0
- 1.1423 1.2873 -0.0815 C 0 0 0
- 2.1710 -0.9711 0.0255 N 0 3 0
- -1.3952 0.1889 0.0061 C 0 0 0
- 0.0268 2.1120 -0.1089 C 0 0 0
- 2.3889 1.8269 -0.1241 O 0 0 0
- 2.1902 -1.9937 -0.6359 O 0 0 0
- 3.1294 -0.6745 0.7163 O 0 5 0
- -1.2390 1.5611 -0.0646 C 0 0 0
- -2.7529 -0.3988 0.0529 N 0 3 0
- -3.7314 0.3261 0.0288 O 0 0 0
- -2.8916 -1.6073 0.1156 O 0 5 0
- -0.4052 -1.6637 0.0000 H 0 0 0
- 0.1437 3.1411 0.0000 H 0 0 0
- 3.3394 2.2383 0.0000 H 0 0 0
- -2.0717 2.1770 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 10 2 0
- 2 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-443-48-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.4920 0.4517 0.2425 N 0 0 0
- -0.8576 0.4974 0.0185 C 0 0 0
- 0.9677 1.7041 0.0731 C 0 0 0
- 1.2734 -0.7334 0.6046 C 0 0 0
- -1.1599 1.7754 -0.2799 C 0 0 0
- -1.8031 -0.6394 0.0904 N 0 3 0
- -0.0259 2.4904 -0.2392 N 0 0 0
- 2.4074 2.1243 0.2207 C 0 0 0
- 1.6095 -1.5283 -0.6587 C 0 0 0
- -1.7335 -1.4319 1.0126 O 0 0 0
- -2.6505 -0.7822 -0.7727 O 0 5 0
- 2.3717 -2.6843 -0.3055 O 0 0 0
- 2.2765 -0.7963 0.0000 H 0 0 0
- 1.7774 0.1362 0.0000 H 0 0 0
- -2.0903 2.1557 0.0000 H 0 0 0
- 2.6890 1.1594 0.0000 H 0 0 0
- 3.3723 2.4059 0.0000 H 0 0 0
- 2.1258 3.0892 0.0000 H 0 0 0
- 0.6064 -1.4654 0.0000 H 0 0 0
- 1.1055 -2.3979 0.0000 H 0 0 0
- 2.9250 -3.5234 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 6 11 1 0
- 9 12 1 0
- 5 7 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13366-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 32 1 V2000
- -1.1436 -0.5752 0.0000 C 0 0 1
- 0.7965 1.4840 0.0000 C 0 0 2
- -2.5834 -0.4357 0.0000 C 0 0 1
- -0.3404 -1.4976 0.0000 C 0 0 2
- -0.6331 1.1675 0.0000 C 0 0 1
- 2.1783 0.2587 0.0000 C 0 0 1
- -1.1981 0.1736 0.0000 C 0 0 1
- -3.1382 0.7012 0.0000 C 0 0 0
- 0.2383 -0.7931 0.0000 C 0 0 1
- 1.8856 -1.3376 0.0000 C 0 0 0
- -1.1811 -2.3996 0.0000 Cl 0 0 0
- -1.9741 1.7120 0.0000 C 0 0 0
- 1.4227 -0.7182 0.0000 C 0 0 1
- 3.5636 0.6671 0.0000 Cl 0 0 0
- -3.3015 2.1954 0.0000 O 0 0 0
- 0.4833 0.1532 0.0000 Cl 0 0 0
- 2.1579 -2.4745 0.0000 Cl 0 0 0
- 3.0905 -1.9639 0.0000 Cl 0 0 0
- 1.1777 0.2383 0.0000 Cl 0 0 0
- -1.6340 -1.5277 0.0000 H 0 0 0
- 1.0655 2.5210 0.0000 H 0 0 0
- -3.1942 -1.3159 0.0000 H 0 0 0
- -0.5433 2.2351 0.0000 H 0 0 0
- -1.9158 0.9690 0.0000 H 0 0 0
- -4.1674 0.4037 0.0000 H 0 0 0
- -1.5892 2.7118 0.0000 H 0 0 0
- 1.9248 -1.6646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 1
- 5 12 1 0
- 6 13 1 0
- 6 14 1 6
- 8 15 1 0
- 9 16 1 6
- 10 17 1 0
- 10 18 1 0
- 13 19 1 6
- 5 7 1 0
- 6 10 1 0
- 7 9 1 0
- 8 12 1 0
- 9 13 1 0
- 12 15 1 0
- 1 20 1 0
- 2 21 1 0
- 3 22 1 0
- 5 23 1 0
- 7 24 1 0
- 8 25 1 0
- 12 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-585-79-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 1.7035 0.2098 -0.0034 C 0 0 0
- 0.4534 -0.3795 -0.0033 C 0 0 0
- 1.8185 1.5876 -0.0008 C 0 0 0
- 2.9193 -0.6342 -0.0001 N 0 3 0
- -0.6830 0.4094 -0.0006 C 0 0 0
- 0.6833 2.3762 0.0019 C 0 0 0
- 4.0211 -0.1149 -0.0001 O 0 0 0
- 2.8181 -1.8479 0.0028 O 0 5 0
- -0.5675 1.7877 0.0019 C 0 0 0
- -2.3937 -0.3963 0.0001 Br 0 0 0
- 0.3673 -1.4128 0.0000 H 0 0 0
- 2.7565 2.0294 0.0000 H 0 0 0
- 0.7700 3.4094 0.0000 H 0 0 0
- -1.4189 2.3794 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31551-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.7431 -0.7879 -0.0009 C 0 0 0
- -0.7431 -0.7878 -0.0007 C 0 0 0
- 1.1921 0.5434 -0.0005 C 0 0 0
- 1.6688 -1.8215 0.0036 C 0 0 0
- -1.1919 0.5431 0.0000 C 0 0 0
- -1.6690 -1.8217 -0.0010 C 0 0 0
- 0.0000 1.4239 0.0001 C 0 0 0
- 2.5550 0.8147 -0.0003 C 0 0 0
- 3.0258 -1.5376 0.0026 C 0 0 0
- -2.5553 0.8144 0.0000 C 0 0 0
- -3.0256 -1.5379 -0.0006 C 0 0 0
- -0.0002 2.6382 0.0012 O 0 0 0
- 3.4665 -0.2287 -0.0005 C 0 0 0
- -3.4664 -0.2286 -0.0007 C 0 0 0
- 4.9182 0.0605 -0.0007 N 0 3 0
- -4.9181 0.0605 -0.0001 N 0 3 0
- 5.7215 -0.8550 -0.0009 O 0 0 0
- 5.3094 1.2139 -0.0008 O 0 5 0
- -5.7214 -0.8550 -0.0007 O 0 0 0
- -5.3093 1.2140 0.0009 O 0 5 0
- 1.3445 -2.8099 0.0000 H 0 0 0
- -1.3446 -2.8101 0.0000 H 0 0 0
- 2.8902 1.7994 0.0000 H 0 0 0
- 3.7165 -2.3154 0.0000 H 0 0 0
- -2.8906 1.7991 0.0000 H 0 0 0
- -3.7163 -2.3157 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 5 7 1 0
- 9 13 2 0
- 11 14 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15444-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- -0.2128 0.2674 0.0030 C 0 0 0
- -0.0678 -1.1340 -0.0282 C 0 0 0
- 0.9773 1.1338 0.0520 C 0 0 0
- -1.4921 0.8198 -0.0188 C 0 0 0
- 1.2032 -1.7461 -0.0139 C 0 0 0
- -1.2219 -1.9572 -0.0758 C 0 0 0
- 2.2646 0.5607 0.0677 C 0 0 0
- 0.8428 2.5219 0.0828 C 0 0 0
- -2.6231 -0.0095 -0.0714 C 0 0 0
- -1.6450 2.1667 0.0113 O 0 0 0
- 2.4141 -0.9027 0.0355 C 0 0 0
- 1.3012 -3.0665 -0.0451 N 0 0 0
- -2.4985 -1.3686 -0.0905 C 0 0 0
- -1.0408 -3.3484 -0.1065 C 0 0 0
- 3.3900 1.3878 0.1138 C 0 0 0
- 1.9657 3.3200 0.1281 C 0 0 0
- -3.8619 0.5491 -0.0915 O 0 0 0
- -2.0361 2.5674 -1.3034 C 0 0 0
- 3.5202 -1.4106 0.0490 O 0 0 0
- 0.2444 -3.8532 -0.0899 C 0 0 0
- 3.2332 2.7558 0.1435 C 0 0 0
- -4.2134 0.8233 1.2662 C 0 0 0
- -0.1080 2.9558 0.0000 H 0 0 0
- -3.3521 -1.9717 0.0000 H 0 0 0
- -1.8645 -3.9916 0.0000 H 0 0 0
- 4.3479 0.9698 0.0000 H 0 0 0
- 1.8618 4.3599 0.0000 H 0 0 0
- -1.2882 3.2974 0.0000 H 0 0 0
- -2.7661 3.3153 0.0000 H 0 0 0
- -2.7840 1.8374 0.0000 H 0 0 0
- 0.3828 -4.8891 0.0000 H 0 0 0
- 4.0758 3.3741 0.0000 H 0 0 0
- -3.5706 1.6473 0.0000 H 0 0 0
- -5.0374 1.4661 0.0000 H 0 0 0
- -4.8562 -0.0007 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 1 0
- 11 19 2 0
- 12 20 1 0
- 15 21 2 0
- 17 22 1 0
- 7 11 1 0
- 9 13 2 0
- 14 20 2 0
- 16 21 1 0
- 8 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 18 28 1 0
- 18 29 1 0
- 18 30 1 0
- 20 31 1 0
- 21 32 1 0
- 22 33 1 0
- 22 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3817-11-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 0.6173 -0.6992 0.1291 N 0 0 0
- -0.5700 -0.1023 0.7459 C 0 0 0
- 1.5323 0.1337 -0.6553 C 0 0 0
- 0.8599 -1.9570 0.2812 N 0 0 0
- -1.7452 -0.1794 -0.2307 C 0 0 0
- 2.6128 0.7084 0.2629 C 0 0 0
- 1.8470 -2.4532 -0.2316 O 0 0 0
- -2.9852 0.4439 0.4134 C 0 0 0
- 3.5685 1.5783 -0.5563 C 0 0 0
- -4.1605 0.3668 -0.5632 C 0 0 0
- 4.6490 2.1530 0.3619 C 0 0 0
- -5.3186 0.9490 0.0384 O 0 0 0
- 0.1036 0.5360 0.0000 H 0 0 0
- -0.9416 0.7480 0.0000 H 0 0 0
- 1.4874 1.0606 0.0000 H 0 0 0
- 0.6747 0.4882 0.0000 H 0 0 0
- -2.4188 -0.8177 0.0000 H 0 0 0
- -1.3736 -1.0297 0.0000 H 0 0 0
- 2.6577 -0.2185 0.0000 H 0 0 0
- 3.4704 0.3539 0.0000 H 0 0 0
- -2.3116 1.0822 0.0000 H 0 0 0
- -3.3568 1.2942 0.0000 H 0 0 0
- 3.5236 2.5052 0.0000 H 0 0 0
- 2.7109 1.9328 0.0000 H 0 0 0
- -4.8341 -0.2715 0.0000 H 0 0 0
- -3.7889 -0.4835 0.0000 H 0 0 0
- 5.0848 1.3337 0.0000 H 0 0 0
- 5.4683 2.5888 0.0000 H 0 0 0
- 4.2132 2.9723 0.0000 H 0 0 0
- -6.1477 1.3658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2431-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.4409 0.4561 0.2508 C 0 0 0
- 0.0158 0.8883 0.4818 C 0 0 0
- 2.0960 0.8256 -0.9092 C 0 0 0
- 2.0948 -0.3050 1.2013 C 0 0 0
- -0.9213 -0.1502 -0.0789 C 0 0 0
- 3.4030 0.4291 -1.1210 C 0 0 0
- 3.4022 -0.7016 0.9895 C 0 0 0
- -2.2544 0.0248 0.0135 N 0 0 0
- -0.4758 -1.1436 -0.6134 O 0 0 0
- 4.0552 -0.3370 -0.1728 C 0 0 0
- -2.7940 1.1478 0.7843 C 0 0 0
- -3.1639 -0.9078 -0.6567 C 0 0 0
- -3.0619 2.3274 -0.1525 C 0 0 0
- -3.3030 -2.1780 0.1848 C 0 0 0
- 0.4198 1.7441 0.0000 H 0 0 0
- -0.7719 1.4129 0.0000 H 0 0 0
- 1.9926 1.7663 0.0000 H 0 0 0
- 1.5779 -1.0978 0.0000 H 0 0 0
- 3.9217 1.2207 0.0000 H 0 0 0
- 3.5036 -1.6425 0.0000 H 0 0 0
- 4.9866 -0.5047 0.0000 H 0 0 0
- -3.7164 1.3593 0.0000 H 0 0 0
- -3.3848 0.4084 0.0000 H 0 0 0
- -3.6140 -0.0753 0.0000 H 0 0 0
- -4.0927 -1.0896 0.0000 H 0 0 0
- -2.1390 2.5370 0.0000 H 0 0 0
- -3.2715 3.2503 0.0000 H 0 0 0
- -3.9848 2.1178 0.0000 H 0 0 0
- -4.2438 -2.0750 0.0000 H 0 0 0
- -3.4060 -3.1188 0.0000 H 0 0 0
- -2.3622 -2.2810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 1 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 7 10 2 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-78-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.0000 -0.3780 0.0000 S 0 0 0
- -0.8465 0.5233 0.8874 O 0 0 0
- 0.8469 0.5229 -0.8875 O 0 0 0
- 0.9134 -1.0302 0.8716 O 0 0 0
- -0.9136 -1.0300 -0.8715 O 0 0 0
- -1.7854 1.1799 0.0333 C 0 0 0
- 1.7852 1.1801 -0.0334 C 0 0 0
- -1.2930 1.8840 0.0000 H 0 0 0
- -2.4895 1.6723 0.0000 H 0 0 0
- -2.2778 0.4758 0.0000 H 0 0 0
- 2.2781 0.4763 0.0000 H 0 0 0
- 2.4890 1.6730 0.0000 H 0 0 0
- 1.2923 1.8839 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86334-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- 0.7207 0.2063 0.3851 C 0 0 0
- -0.6519 0.0807 1.0494 C 0 0 0
- 1.7969 -0.3191 1.3379 C 0 0 2
- 0.7337 -0.5512 -0.8233 O 0 0 0
- 0.9800 1.5794 0.0864 O 0 0 0
- -1.6831 0.5834 0.1383 N 0 0 0
- 3.1707 -0.1578 0.6773 C 0 0 1
- 1.5586 -1.7017 1.6098 O 0 0 0
- 1.9568 -0.2651 -1.4989 C 0 0 0
- -2.3305 -0.3272 -0.8093 C 0 0 0
- -2.0211 1.8279 0.1703 N 0 0 0
- 3.1343 -0.8291 -0.7003 C 0 0 1
- 3.4643 1.2321 0.5221 O 0 0 0
- -3.5508 -0.9355 -0.1675 C 0 0 0
- -2.8784 2.2459 -0.5872 O 0 0 0
- 4.3537 -0.5586 -1.3944 O 0 0 0
- -4.3064 -1.8069 -0.8541 O 0 0 0
- -3.8492 -0.6387 0.9651 O 0 0 0
- -1.3229 -0.5768 0.0000 H 0 0 0
- -0.2575 -0.7719 0.0000 H 0 0 0
- 1.9546 0.6070 0.0000 H 0 0 0
- 1.1543 2.5025 0.0000 H 0 0 0
- 4.1021 -0.2807 0.0000 H 0 0 0
- 1.3990 -2.6275 0.0000 H 0 0 0
- 2.5936 0.4256 0.0000 H 0 0 0
- 1.4836 0.5465 0.0000 H 0 0 0
- -2.2346 -1.2617 0.0000 H 0 0 0
- -1.4221 -0.5668 0.0000 H 0 0 0
- 3.0273 -1.7624 0.0000 H 0 0 0
- 3.6585 2.1513 0.0000 H 0 0 0
- 5.2708 -0.3552 0.0000 H 0 0 0
- -4.9218 -2.5167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 14 17 1 0
- 14 18 2 0
- 9 12 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4685-14-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.7420 -0.0002 -0.0018 C 0 0 0
- -0.7420 0.0000 -0.0016 C 0 0 0
- 1.4598 1.1273 -0.4092 C 0 0 0
- 1.4597 -1.1262 0.4111 C 0 0 0
- -1.4598 -1.1275 -0.4088 C 0 0 0
- -1.4597 1.1260 0.4114 C 0 0 0
- 2.8393 1.0846 -0.3935 C 0 0 0
- 2.8389 -1.0836 0.3957 C 0 0 0
- -2.8394 -1.0846 -0.3933 C 0 0 0
- -2.8388 1.0836 0.3959 C 0 0 0
- 3.4786 -0.0003 -0.0012 N 0 3 0
- -3.4786 0.0005 -0.0013 N 0 3 0
- 4.9436 -0.0006 -0.0014 C 0 0 0
- -4.9436 0.0009 -0.0016 C 0 0 0
- 0.9911 2.0135 0.0000 H 0 0 0
- 0.9913 -2.0125 0.0000 H 0 0 0
- -0.9912 -2.0137 0.0000 H 0 0 0
- -0.9912 2.0122 0.0000 H 0 0 0
- 3.3501 1.9472 0.0000 H 0 0 0
- 3.3492 -1.9464 0.0000 H 0 0 0
- -3.3503 -1.9471 0.0000 H 0 0 0
- -3.3490 1.9465 0.0000 H 0 0 0
- 4.9434 -1.0030 0.0000 H 0 0 0
- 5.9460 -0.0008 0.0000 H 0 0 0
- 4.9438 1.0018 0.0000 H 0 0 0
- -4.9433 1.0033 0.0000 H 0 0 0
- -5.9460 0.0012 0.0000 H 0 0 0
- -4.9439 -1.0015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 8 11 1 0
- 10 12 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7241-98-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.3619 -0.3930 0.3167 C 0 0 0
- -1.7288 -0.2054 0.3422 C 0 0 0
- 0.4931 0.7205 0.1666 C 0 0 0
- 0.1635 -1.6368 0.4549 O 0 0 0
- -2.2772 1.0672 0.2315 C 0 0 0
- -2.8793 -1.1798 0.4928 C 0 0 1
- 1.8878 0.5278 0.0897 C 0 0 0
- -0.0625 2.0130 0.0843 C 0 0 0
- 1.3971 -1.8723 -0.0617 C 0 0 0
- -3.6355 1.0208 0.2557 O 0 0 0
- -1.4308 2.1737 0.1125 C 0 0 0
- -4.0677 -0.2276 0.8187 C 0 0 1
- -3.2305 -1.7496 -0.8973 C 0 0 0
- 2.3659 -0.7720 0.0023 C 0 0 0
- 2.8283 1.6997 0.0977 C 0 0 0
- 0.7472 3.0957 -0.0220 O 0 0 0
- 1.6857 -2.9464 -0.5554 O 0 0 0
- -5.1604 -0.7281 0.0190 O 0 0 0
- -4.5759 -1.0802 -1.2532 C 0 0 0
- 3.8124 -1.0237 -0.0379 C 0 0 0
- 4.2203 1.2659 0.5602 C 0 0 0
- 0.6203 3.5765 -1.3616 C 0 0 0
- 4.6167 0.0674 -0.1717 O 0 0 0
- 4.2683 -2.1477 0.0444 O 0 0 0
- -2.0953 -1.8540 0.0000 H 0 0 0
- -1.8339 3.1259 0.0000 H 0 0 0
- -4.8332 0.4676 0.0000 H 0 0 0
- -3.7189 -2.6610 0.0000 H 0 0 0
- -2.3342 -2.2653 0.0000 H 0 0 0
- 3.2564 2.6410 0.0000 H 0 0 0
- 1.9476 2.2415 0.0000 H 0 0 0
- -5.4671 -1.6046 0.0000 H 0 0 0
- -4.5396 -2.1136 0.0000 H 0 0 0
- 5.2478 1.3817 0.0000 H 0 0 0
- 4.3183 2.2953 0.0000 H 0 0 0
- 1.6201 3.8404 0.0000 H 0 0 0
- 0.3564 4.5763 0.0000 H 0 0 0
- -0.3795 3.3126 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 16 22 1 0
- 20 23 1 0
- 20 24 2 0
- 8 11 1 0
- 9 14 1 0
- 10 12 1 0
- 18 19 1 0
- 21 23 1 0
- 6 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 19 32 1 0
- 19 33 1 0
- 21 34 1 0
- 21 35 1 0
- 22 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26761-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 78 1 V2000
- 0.7222 3.3244 -0.1202 C 0 0 0
- -0.6349 3.1184 0.1937 C 0 0 0
- 1.3155 4.5508 0.1659 C 0 0 0
- 1.5138 2.2428 -0.7442 C 0 0 0
- -1.3668 4.1435 0.7863 C 0 0 0
- -1.2787 1.8213 -0.1047 C 0 0 0
- 0.5726 5.5574 0.7547 C 0 0 0
- 2.6521 1.8193 -0.1617 O 0 0 0
- 1.1377 1.7362 -1.7819 O 0 0 0
- -0.7605 5.3550 1.0631 C 0 0 0
- -2.6042 1.6690 0.0802 O 0 0 0
- -0.6124 0.8932 -0.5166 O 0 0 0
- 3.4296 0.7570 -0.7746 C 0 0 0
- -3.2365 0.3951 -0.2128 C 0 0 0
- 4.6643 0.4694 0.0820 C 0 0 0
- -4.7350 0.4900 0.0810 C 0 0 0
- 5.4835 -0.6499 -0.5638 C 0 0 0
- -5.4012 -0.8523 -0.2278 C 0 0 0
- 6.7182 -0.9374 0.2927 C 0 0 0
- -6.8997 -0.7574 0.0661 C 0 0 0
- 7.5374 -2.0567 -0.3531 C 0 0 0
- -7.5659 -2.0997 -0.2427 C 0 0 0
- 8.7722 -2.3443 0.5035 C 0 0 0
- -9.0644 -2.0049 0.0512 C 0 0 0
- 9.5913 -3.4636 -0.1423 C 0 0 0
- -9.7306 -3.3471 -0.2577 C 0 0 0
- 10.8261 -3.7512 0.7142 C 0 0 0
- -11.2292 -3.2523 0.0362 C 0 0 0
- 11.6453 -4.8705 0.0685 C 0 0 0
- 11.6816 -2.4868 0.8163 C 0 0 0
- -11.8954 -4.5945 -0.2726 C 0 0 0
- -11.4386 -2.9066 1.5119 C 0 0 0
- 2.3367 4.6456 0.0000 H 0 0 0
- -2.3893 4.0636 0.0000 H 0 0 0
- 0.9646 6.5052 0.0000 H 0 0 0
- -1.3637 6.1845 0.0000 H 0 0 0
- 2.4644 0.4102 0.0000 H 0 0 0
- 3.4891 -0.2669 0.0000 H 0 0 0
- -3.4360 -0.6109 0.0000 H 0 0 0
- -2.2656 0.0645 0.0000 H 0 0 0
- 5.6295 0.8162 0.0000 H 0 0 0
- 4.6048 1.4933 0.0000 H 0 0 0
- -4.5355 1.4960 0.0000 H 0 0 0
- -5.7059 0.8206 0.0000 H 0 0 0
- 4.5183 -0.9967 0.0000 H 0 0 0
- 5.5430 -1.6738 0.0000 H 0 0 0
- -5.6007 -1.8583 0.0000 H 0 0 0
- -4.4303 -1.1829 0.0000 H 0 0 0
- 7.6834 -0.5906 0.0000 H 0 0 0
- 6.6587 0.0865 0.0000 H 0 0 0
- -6.7002 0.2486 0.0000 H 0 0 0
- -7.8706 -0.4268 0.0000 H 0 0 0
- 6.5722 -2.4035 0.0000 H 0 0 0
- 7.5969 -3.0806 0.0000 H 0 0 0
- -7.7653 -3.1058 0.0000 H 0 0 0
- -6.5950 -2.4303 0.0000 H 0 0 0
- 9.7374 -1.9975 0.0000 H 0 0 0
- 8.7127 -1.3204 0.0000 H 0 0 0
- -8.8650 -0.9988 0.0000 H 0 0 0
- -10.0353 -1.6743 0.0000 H 0 0 0
- 8.6261 -3.8104 0.0000 H 0 0 0
- 9.6508 -4.4875 0.0000 H 0 0 0
- -9.9300 -4.3532 0.0000 H 0 0 0
- -8.7597 -3.6777 0.0000 H 0 0 0
- 10.2607 -4.6069 0.0000 H 0 0 0
- -10.6978 -2.3751 0.0000 H 0 0 0
- 10.8177 -5.4762 0.0000 H 0 0 0
- 12.2510 -5.6981 0.0000 H 0 0 0
- 12.4729 -4.2648 0.0000 H 0 0 0
- 12.5311 -3.0615 0.0000 H 0 0 0
- 12.2563 -1.6373 0.0000 H 0 0 0
- 10.8321 -1.9121 0.0000 H 0 0 0
- -12.8141 -4.1385 0.0000 H 0 0 0
- -12.3514 -5.5132 0.0000 H 0 0 0
- -10.9767 -5.0505 0.0000 H 0 0 0
- -10.5614 -2.3752 0.0000 H 0 0 0
- -11.9700 -2.0294 0.0000 H 0 0 0
- -12.3158 -3.4380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 27 30 1 0
- 28 31 1 0
- 28 32 1 0
- 7 10 2 0
- 3 33 1 0
- 5 34 1 0
- 7 35 1 0
- 10 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 22 55 1 0
- 22 56 1 0
- 23 57 1 0
- 23 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 27 65 1 0
- 28 66 1 0
- 29 67 1 0
- 29 68 1 0
- 29 69 1 0
- 30 70 1 0
- 30 71 1 0
- 30 72 1 0
- 31 73 1 0
- 31 74 1 0
- 31 75 1 0
- 32 76 1 0
- 32 77 1 0
- 32 78 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99400-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 66 1 V2000
- -12.8147 -1.9350 -0.6012 C 0 0 0
- -13.9344 -1.3429 -0.1367 N 0 0 0
- -11.5769 -1.8326 0.1771 C 0 0 0
- -12.8334 -2.5508 -1.6509 O 0 0 0
- -13.9062 -0.6683 1.0280 C 0 0 0
- -11.5881 -1.1709 1.3007 N 0 0 0
- -12.7726 -0.5715 1.7451 N 0 0 0
- -14.9210 -0.1382 1.4376 O 0 0 0
- 5.0914 -1.8693 -1.9427 C 0 0 0
- 3.9531 -1.2279 -2.0375 C 0 0 0
- 6.3815 -1.1002 -1.8195 C 0 0 0
- 3.5170 -0.2995 -0.9335 C 0 0 0
- 7.3528 -1.8736 -0.9255 C 0 0 0
- 2.7506 0.8813 -1.5330 C 0 0 0
- 8.6627 -1.0929 -0.8004 C 0 0 0
- 2.3079 1.8239 -0.4121 C 0 0 0
- 9.6340 -1.8663 0.0936 C 0 0 0
- 1.5416 3.0046 -1.0116 C 0 0 0
- 10.9439 -1.0855 0.2187 C 0 0 0
- 1.0989 3.9472 0.1093 C 0 0 0
- 11.9152 -1.8589 1.1127 C 0 0 0
- 0.3325 5.1280 -0.4902 C 0 0 0
- 13.2250 -1.0782 1.2378 C 0 0 0
- -0.1102 6.0706 0.6307 C 0 0 0
- 14.1963 -1.8516 2.1318 C 0 0 0
- -0.8766 7.2513 0.0312 C 0 0 0
- 15.4540 -1.1019 2.2519 N 0 0 0
- -14.7421 -1.8067 0.0000 H 0 0 0
- -10.8864 -2.4576 0.0000 H 0 0 0
- -12.5952 0.3428 0.0000 H 0 0 0
- 5.1028 -2.8006 0.0000 H 0 0 0
- 3.2706 -1.8617 0.0000 H 0 0 0
- 7.0449 -0.4465 0.0000 H 0 0 0
- 5.8121 -0.3632 0.0000 H 0 0 0
- 4.4477 -0.3358 0.0000 H 0 0 0
- 3.9774 0.5101 0.0000 H 0 0 0
- 6.6894 -2.5273 0.0000 H 0 0 0
- 7.9222 -2.6106 0.0000 H 0 0 0
- 1.8199 0.9176 0.0000 H 0 0 0
- 2.2902 0.0717 0.0000 H 0 0 0
- 9.3261 -0.4392 0.0000 H 0 0 0
- 8.0933 -0.3559 0.0000 H 0 0 0
- 3.2386 1.7876 0.0000 H 0 0 0
- 2.7683 2.6335 0.0000 H 0 0 0
- 8.9706 -2.5200 0.0000 H 0 0 0
- 10.2034 -2.6033 0.0000 H 0 0 0
- 0.6109 3.0409 0.0000 H 0 0 0
- 1.0812 2.1950 0.0000 H 0 0 0
- 11.6073 -0.4318 0.0000 H 0 0 0
- 10.3745 -0.3485 0.0000 H 0 0 0
- 2.0296 3.9109 0.0000 H 0 0 0
- 1.5593 4.7568 0.0000 H 0 0 0
- 11.2518 -2.5126 0.0000 H 0 0 0
- 12.4846 -2.5959 0.0000 H 0 0 0
- -0.5982 5.1643 0.0000 H 0 0 0
- -0.1279 4.3184 0.0000 H 0 0 0
- 13.8884 -0.4245 0.0000 H 0 0 0
- 12.6556 -0.3412 0.0000 H 0 0 0
- 0.8205 6.0343 0.0000 H 0 0 0
- 0.3502 6.8802 0.0000 H 0 0 0
- 13.5329 -2.5053 0.0000 H 0 0 0
- 14.7657 -2.5886 0.0000 H 0 0 0
- -0.0954 7.7584 0.0000 H 0 0 0
- -1.3837 8.0325 0.0000 H 0 0 0
- -1.6578 6.7442 0.0000 H 0 0 0
- 16.2670 -1.5563 0.0000 H 0 0 0
- 15.4410 -0.1706 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 5 8 2 0
- 9 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 6 7 1 0
- 2 28 1 0
- 3 29 1 0
- 7 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 22 55 1 0
- 22 56 1 0
- 23 57 1 0
- 23 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 26 64 1 0
- 26 65 1 0
- 27 66 1 0
- 27 67 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17177-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.9852 -0.8127 -0.0009 C 0 0 0
- -0.2987 -0.0806 -0.3962 C 0 0 0
- 2.1792 -0.1644 -0.7045 C 0 0 0
- 1.8653 0.0950 0.6652 O 0 0 0
- -1.4927 -0.7289 0.3074 C 0 0 0
- -0.2039 1.2912 -0.0072 O 0 0 0
- -2.6919 -0.0451 -0.0618 O 0 0 0
- 0.9746 -1.8316 0.0000 H 0 0 0
- -1.1559 0.4703 0.0000 H 0 0 0
- 2.7754 -0.9908 0.0000 H 0 0 0
- 2.9230 0.5321 0.0000 H 0 0 0
- -2.1517 -1.5061 0.0000 H 0 0 0
- -0.8500 -1.5196 0.0000 H 0 0 0
- -0.1336 2.3078 0.0000 H 0 0 0
- -3.5771 0.4596 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 5 7 1 0
- 3 4 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-140-11-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.8803 0.3068 0.2379 C 0 0 0
- -0.5576 0.6782 0.4936 C 0 0 0
- 1.7297 1.2109 -0.3715 C 0 0 0
- 1.3514 -0.9363 0.6181 C 0 0 0
- -1.4288 -0.2502 -0.2047 O 0 0 0
- 3.0490 0.8701 -0.6061 C 0 0 0
- 2.6701 -1.2769 0.3836 C 0 0 0
- -2.7613 -0.1126 -0.1206 C 0 0 0
- 3.5184 -0.3746 -0.2312 C 0 0 0
- -3.6655 -1.0762 -0.8453 C 0 0 0
- -3.2359 0.7837 0.5361 O 0 0 0
- -0.1513 1.5887 0.0000 H 0 0 0
- -1.3879 1.2301 0.0000 H 0 0 0
- 1.4523 2.1686 0.0000 H 0 0 0
- 0.6860 -1.6788 0.0000 H 0 0 0
- 3.7150 1.6121 0.0000 H 0 0 0
- 2.9473 -2.2346 0.0000 H 0 0 0
- 4.4962 -0.5697 0.0000 H 0 0 0
- -4.3926 -0.3940 0.0000 H 0 0 0
- -4.3477 -1.8033 0.0000 H 0 0 0
- -2.9384 -1.7584 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 7 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-34244-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 1.3028 0.1304 -0.0022 C 0 0 0
- 0.1071 -0.3921 -0.0021 C 0 0 0
- 1.4731 1.5956 -0.0011 C 0 0 0
- 2.4981 -0.7321 0.0027 C 0 0 0
- -1.0838 0.4782 -0.0009 C 0 0 0
- -0.0719 -1.8552 -0.0028 C 0 0 0
- 0.4172 2.3738 0.0004 C 0 0 0
- 2.8488 2.1232 -0.0011 C 0 0 0
- 2.3269 -2.1947 0.0081 C 0 0 0
- 3.6862 -0.1747 0.0026 C 0 0 0
- -0.9375 1.7818 0.0000 C 0 0 0
- -2.4055 -0.1729 -0.0002 C 0 0 0
- 1.1177 -2.7231 -0.0037 C 0 0 0
- -1.2881 -2.3484 -0.0021 C 0 0 0
- 3.8618 1.2832 -0.0022 C 0 0 0
- -2.4772 -1.4869 -0.0008 C 0 0 0
- -3.8540 0.7839 0.0019 Cl 0 0 0
- 0.5400 3.4698 0.0000 H 0 0 0
- 3.0278 3.2114 0.0000 H 0 0 0
- 3.2130 -2.8513 0.0000 H 0 0 0
- 4.5799 -0.8209 0.0000 H 0 0 0
- -1.8252 2.4362 0.0000 H 0 0 0
- 0.9975 -3.8194 0.0000 H 0 0 0
- -1.4211 -3.4432 0.0000 H 0 0 0
- 4.8863 1.6916 0.0000 H 0 0 0
- -3.4728 -1.9613 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 12 16 2 0
- 12 17 1 0
- 7 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1953-54-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.8265 0.7004 0.0026 C 0 0 0
- 0.5256 -0.6732 -0.0002 C 0 0 0
- 2.2007 0.8150 0.0021 N 0 0 0
- -0.2092 1.6290 -0.0001 C 0 0 0
- -0.8055 -1.0963 -0.0004 C 0 0 0
- 1.8139 -1.3705 -0.0023 C 0 0 0
- 2.7706 -0.4287 -0.0008 C 0 0 0
- -1.5177 1.2006 -0.0053 C 0 0 0
- -1.8190 -0.1591 0.0020 C 0 0 0
- -3.1168 -0.5652 0.0014 O 0 0 0
- 2.7232 1.7088 0.0000 H 0 0 0
- 0.0038 2.6421 0.0000 H 0 0 0
- -1.0307 -2.1068 0.0000 H 0 0 0
- 1.9591 -2.3956 0.0000 H 0 0 0
- 3.7888 -0.6159 0.0000 H 0 0 0
- -2.2849 1.8958 0.0000 H 0 0 0
- -4.1049 -0.8744 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 2 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111990-50-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 1.1150 -0.1391 -0.2414 C 0 0 0
- 0.0665 0.7652 -0.4825 C 0 0 0
- 2.3599 0.3496 0.2275 C 0 0 0
- 0.9513 -1.5191 -0.4507 C 0 0 0
- -1.2647 0.2656 -0.9818 C 0 0 0
- 0.2598 2.0943 -0.2631 C 0 0 0
- 2.5220 1.7291 0.4419 C 0 0 0
- 3.4081 -0.5547 0.4695 C 0 0 0
- 1.9889 -2.3650 -0.2060 C 0 0 0
- -2.1535 -0.0956 0.2101 C 0 0 0
- 1.4841 2.5749 0.1980 C 0 0 0
- 3.2146 -1.8839 0.2511 C 0 0 0
- -3.5050 -0.6028 -0.2968 C 0 0 0
- -4.3938 -0.9641 0.8950 C 0 0 0
- -4.5436 0.2594 0.1721 O 0 0 0
- 0.0175 -1.8968 0.0000 H 0 0 0
- -1.1086 1.2607 0.0000 H 0 0 0
- -2.0541 0.8913 0.0000 H 0 0 0
- -0.5294 2.7203 0.0000 H 0 0 0
- 3.4556 2.1074 0.0000 H 0 0 0
- 4.3518 -0.2025 0.0000 H 0 0 0
- 1.8334 -3.3602 0.0000 H 0 0 0
- -2.3096 -1.0907 0.0000 H 0 0 0
- -1.3641 -0.7213 0.0000 H 0 0 0
- 1.6395 3.5702 0.0000 H 0 0 0
- 4.0037 -2.5099 0.0000 H 0 0 0
- -3.1383 -1.5410 0.0000 H 0 0 0
- -5.3790 -1.1740 0.0000 H 0 0 0
- -4.0980 -1.9270 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 13 14 1 0
- 13 15 1 0
- 7 11 2 0
- 9 12 1 0
- 14 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71712-70-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.0082 0.6114 -0.0057 C 0 0 0
- -0.9771 -0.7797 -0.0027 C 0 0 0
- 0.1542 1.3180 -0.0058 O 0 0 0
- -2.2239 1.2748 -0.0028 C 0 0 0
- 0.2155 -1.4337 0.0002 O 0 0 0
- -2.1620 -1.4967 -0.0021 C 0 0 0
- 1.3471 0.6639 -0.0029 C 0 0 0
- -3.4046 0.5542 0.0031 C 0 0 0
- 1.3780 -0.7271 0.0001 C 0 0 0
- -3.3743 -0.8286 -0.0045 C 0 0 0
- 2.5318 1.3811 -0.0035 C 0 0 0
- -4.7034 1.2645 0.0061 N 0 3 0
- 2.5935 -1.3910 0.0025 C 0 0 0
- -4.8592 -1.7278 -0.0044 Cl 0 0 0
- 3.7443 0.7136 -0.0010 C 0 0 0
- -4.7316 2.4822 0.0035 O 0 0 0
- -5.7438 0.6313 0.0113 O 0 5 0
- 3.7751 -0.6702 0.0019 C 0 0 0
- 5.2289 1.6134 -0.0017 Cl 0 0 0
- 5.2982 -1.5032 0.0055 Cl 0 0 0
- -2.2490 2.3126 0.0000 H 0 0 0
- -2.1410 -2.5346 0.0000 H 0 0 0
- 2.5105 2.4190 0.0000 H 0 0 0
- 2.6183 -2.4288 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 12 17 1 0
- 13 18 2 0
- 15 19 1 0
- 18 20 1 0
- 7 9 2 0
- 8 10 1 0
- 15 18 1 0
- 4 21 1 0
- 6 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116355-84-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-108107 1 V2000
- 2.2068 -0.9958 -1.3553 C 0 0 0
- 3.6925 -0.7284 -1.1058 C 0 0 0
- 1.6200 -1.6054 -0.1753 O 0 0 0
- 1.4943 0.3246 -1.6550 C 0 0 0
- 3.8394 0.1687 0.0264 O 0 0 0
- 4.4050 -2.0488 -0.8061 C 0 0 0
- 1.0236 -2.8045 -0.2656 C 0 0 0
- 0.0242 0.0491 -1.9769 C 0 0 0
- 4.2087 1.4439 -0.1713 C 0 0 0
- 5.9032 -1.7918 -0.6322 C 0 0 0
- 0.4763 -3.4689 0.9714 C 0 0 0
- 0.9256 -3.3513 -1.3386 O 0 0 0
- -0.8632 0.7423 -0.9410 C 0 0 0
- -0.3024 0.5886 -3.3709 C 0 0 0
- 4.2109 2.4150 0.9812 C 0 0 0
- 4.5395 1.8133 -1.2731 O 0 0 0
- 6.3566 -2.3209 0.7299 C 0 0 0
- 6.6758 -2.5093 -1.7409 C 0 0 0
- -0.1466 -4.8145 0.5944 C 0 0 0
- -2.3334 0.4668 -1.2629 C 0 0 0
- 4.6688 3.7894 0.4890 C 0 0 0
- 7.8548 -2.0639 0.9039 C 0 0 0
- -0.7023 -5.4890 1.8502 C 0 0 0
- -1.2636 -4.5921 -0.3925 C 0 0 0
- -3.2208 1.1600 -0.2271 C 0 0 0
- 4.6710 4.7753 1.6590 C 0 0 0
- 6.0603 3.6815 -0.0795 C 0 0 0
- 8.3083 -2.5929 2.2660 C 0 0 0
- -1.3598 -6.7912 1.4719 C 0 0 0
- -1.1544 -5.0589 -1.6462 O 0 0 0
- -2.2576 -3.9937 -0.0551 O 0 0 0
- -4.6910 0.8845 -0.5490 C 0 0 0
- 5.1274 6.1277 1.1754 C 0 0 0
- 6.2542 3.7855 -1.4036 O 0 0 0
- 7.0013 3.5013 0.6566 O 0 0 0
- -1.9214 -7.5594 2.4186 O 0 0 0
- -1.3813 -7.1438 0.3164 O 0 0 0
- -5.5784 1.5777 0.4868 C 0 0 0
- 5.2862 7.1344 2.0490 O 0 0 0
- 5.3505 6.3058 0.0014 O 0 0 0
- -7.0485 1.3022 0.1649 C 0 0 0
- -7.9359 1.9954 1.2008 C 0 0 0
- -9.4061 1.7199 0.8789 C 0 0 0
- -7.6309 1.4916 2.5027 O 0 0 0
- -9.9832 2.8942 0.0859 C 0 0 0
- -11.3393 2.4964 -0.5003 C 0 0 0
- -10.1503 4.0180 0.9526 O 0 0 0
- -11.9164 3.6707 -1.2933 C 0 0 0
- -11.1676 1.3411 -1.3914 N 0 0 0
- 2.6070 -1.7438 0.0000 H 0 0 0
- 4.5291 -0.5880 0.0000 H 0 0 0
- 2.2784 0.6484 0.0000 H 0 0 0
- 1.2530 1.1379 0.0000 H 0 0 0
- 3.6193 -2.3686 0.0000 H 0 0 0
- 4.6380 -2.8645 0.0000 H 0 0 0
- -0.1766 -0.7751 0.0000 H 0 0 0
- 6.1452 -0.9787 0.0000 H 0 0 0
- 0.1124 -2.7026 0.0000 H 0 0 0
- -0.3720 -3.4730 0.0000 H 0 0 0
- -0.1966 1.2670 0.0000 H 0 0 0
- -1.2138 1.5148 0.0000 H 0 0 0
- 0.4233 1.0279 0.0000 H 0 0 0
- -0.7417 1.3143 0.0000 H 0 0 0
- -1.0281 0.1493 0.0000 H 0 0 0
- 3.5837 2.9862 0.0000 H 0 0 0
- 3.4345 2.0730 0.0000 H 0 0 0
- 5.6242 -2.7490 0.0000 H 0 0 0
- 6.6470 -3.1180 0.0000 H 0 0 0
- 6.0985 -3.1309 0.0000 H 0 0 0
- 7.2974 -3.0866 0.0000 H 0 0 0
- 7.2531 -1.8877 0.0000 H 0 0 0
- 0.5715 -5.2661 0.0000 H 0 0 0
- -3.0000 -0.0579 0.0000 H 0 0 0
- -1.9828 -0.3057 0.0000 H 0 0 0
- 3.8316 3.9262 0.0000 H 0 0 0
- 8.5871 -1.6357 0.0000 H 0 0 0
- 7.5643 -1.2669 0.0000 H 0 0 0
- -1.0574 -4.7186 0.0000 H 0 0 0
- -1.5505 -5.4739 0.0000 H 0 0 0
- -2.5542 1.6847 0.0000 H 0 0 0
- -3.5714 1.9325 0.0000 H 0 0 0
- 4.0453 5.3481 0.0000 H 0 0 0
- 3.8942 4.4343 0.0000 H 0 0 0
- 7.6642 -3.1450 0.0000 H 0 0 0
- 8.8604 -3.2370 0.0000 H 0 0 0
- 8.9524 -2.0408 0.0000 H 0 0 0
- -0.9612 -5.8849 0.0000 H 0 0 0
- -5.3576 0.3598 0.0000 H 0 0 0
- -4.3404 0.1120 0.0000 H 0 0 0
- 7.0018 4.1865 0.0000 H 0 0 0
- -2.4221 -8.2442 0.0000 H 0 0 0
- -4.9118 2.1024 0.0000 H 0 0 0
- -5.9290 2.3502 0.0000 H 0 0 0
- 5.4184 7.9724 0.0000 H 0 0 0
- -7.7151 0.7775 0.0000 H 0 0 0
- -6.6979 0.5297 0.0000 H 0 0 0
- -7.7351 2.8196 0.0000 H 0 0 0
- -10.1982 1.4161 0.0000 H 0 0 0
- -9.1751 0.9036 0.0000 H 0 0 0
- -7.1916 0.7659 0.0000 H 0 0 0
- -9.1733 3.1467 0.0000 H 0 0 0
- -12.1492 2.2440 0.0000 H 0 0 0
- -10.2751 4.8571 0.0000 H 0 0 0
- -11.1550 4.0449 0.0000 H 0 0 0
- -12.2906 4.4321 0.0000 H 0 0 0
- -12.6778 3.2965 0.0000 H 0 0 0
- -11.8319 0.8135 0.0000 H 0 0 0
- -10.3786 1.0295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 2 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 15 21 1 0
- 17 22 1 0
- 19 23 1 0
- 19 24 1 0
- 20 25 1 0
- 21 26 1 0
- 21 27 1 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 24 31 2 0
- 25 32 1 0
- 26 33 1 0
- 27 34 1 0
- 27 35 2 0
- 29 36 1 0
- 29 37 2 0
- 32 38 1 0
- 33 39 1 0
- 33 40 2 0
- 38 41 1 0
- 41 42 1 0
- 42 43 1 0
- 42 44 1 0
- 43 45 1 0
- 45 46 1 0
- 45 47 1 0
- 46 48 1 0
- 46 49 1 0
- 1 50 1 0
- 2 51 1 0
- 4 52 1 0
- 4 53 1 0
- 6 54 1 0
- 6 55 1 0
- 8 56 1 0
- 10 57 1 0
- 11 58 1 0
- 11 59 1 0
- 13 60 1 0
- 13 61 1 0
- 14 62 1 0
- 14 63 1 0
- 14 64 1 0
- 15 65 1 0
- 15 66 1 0
- 17 67 1 0
- 17 68 1 0
- 18 69 1 0
- 18 70 1 0
- 18 71 1 0
- 19 72 1 0
- 20 73 1 0
- 20 74 1 0
- 21 75 1 0
- 22 76 1 0
- 22 77 1 0
- 23 78 1 0
- 23 79 1 0
- 25 80 1 0
- 25 81 1 0
- 26 82 1 0
- 26 83 1 0
- 28 84 1 0
- 28 85 1 0
- 28 86 1 0
- 30 87 1 0
- 32 88 1 0
- 32 89 1 0
- 34 90 1 0
- 36 91 1 0
- 38 92 1 0
- 38 93 1 0
- 39 94 1 0
- 41 95 1 0
- 41 96 1 0
- 42 97 1 0
- 43 98 1 0
- 43 99 1 0
- 44100 1 0
- 45101 1 0
- 46102 1 0
- 47103 1 0
- 48104 1 0
- 48105 1 0
- 48106 1 0
- 49107 1 0
- 49108 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-52645-53-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- 3.7667 0.2271 -0.0536 C 0 0 0
- 2.6136 -0.7509 -0.2873 C 0 0 0
- 3.0044 -0.3556 1.1381 C 0 0 0
- 5.0791 -0.4964 -0.2128 C 0 0 0
- 1.3825 0.0136 -0.7009 C 0 0 0
- 3.7212 -1.4044 1.9907 C 0 0 0
- 2.0594 0.5781 1.8971 C 0 0 0
- 6.2091 0.1683 -0.1344 C 0 0 0
- 0.1650 -0.5136 -0.4971 O 0 0 0
- 1.4914 1.1011 -1.2160 O 0 0 0
- 6.1910 1.8803 0.1526 Cl 0 0 0
- 7.7208 -0.6652 -0.3178 Cl 0 0 0
- -1.0211 0.2230 -0.8957 C 0 0 0
- -2.2494 -0.5828 -0.5593 C 0 0 0
- -3.1945 -0.0704 0.3078 C 0 0 0
- -2.4320 -1.8321 -1.1234 C 0 0 0
- -4.3254 -0.8129 0.6172 C 0 0 0
- -3.5576 -2.5739 -0.8169 C 0 0 0
- -5.2566 -0.3114 1.4703 O 0 0 0
- -4.5034 -2.0684 0.0542 C 0 0 0
- -6.1882 0.3194 0.7082 C 0 0 0
- -7.3495 0.8056 1.2911 C 0 0 0
- -5.9770 0.4835 -0.6536 C 0 0 0
- -8.2950 1.4465 0.5140 C 0 0 0
- -6.9255 1.1249 -1.4259 C 0 0 0
- -8.0848 1.6035 -0.8433 C 0 0 0
- 3.6961 1.1735 0.0000 H 0 0 0
- 2.6836 -1.6973 0.0000 H 0 0 0
- 5.0923 -1.4453 0.0000 H 0 0 0
- 2.9377 -1.9399 0.0000 H 0 0 0
- 4.2567 -2.1879 0.0000 H 0 0 0
- 4.5047 -0.8689 0.0000 H 0 0 0
- 2.7264 1.2532 0.0000 H 0 0 0
- 1.3843 1.2451 0.0000 H 0 0 0
- 1.3924 -0.0970 0.0000 H 0 0 0
- -0.4093 0.9485 0.0000 H 0 0 0
- -1.6507 0.9331 0.0000 H 0 0 0
- -3.2344 0.8777 0.0000 H 0 0 0
- -1.6313 -2.3415 0.0000 H 0 0 0
- -3.5140 -3.5219 0.0000 H 0 0 0
- -5.3497 -2.4978 0.0000 H 0 0 0
- -7.8012 -0.0290 0.0000 H 0 0 0
- -5.0285 0.5148 0.0000 H 0 0 0
- -9.2437 1.4248 0.0000 H 0 0 0
- -6.4763 1.9609 0.0000 H 0 0 0
- -8.2031 2.5451 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 1 0
- 17 20 2 0
- 19 21 1 0
- 21 22 2 0
- 21 23 1 0
- 22 24 1 0
- 23 25 2 0
- 24 26 2 0
- 2 3 1 0
- 18 20 1 0
- 25 26 1 0
- 1 27 1 0
- 2 28 1 0
- 4 29 1 0
- 6 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 7 35 1 0
- 13 36 1 0
- 13 37 1 0
- 15 38 1 0
- 16 39 1 0
- 18 40 1 0
- 20 41 1 0
- 22 42 1 0
- 23 43 1 0
- 24 44 1 0
- 25 45 1 0
- 26 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-557-91-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.0000 -0.7895 0.4965 C 0 0 0
- 0.0000 -2.1455 -0.2122 C 0 0 0
- 1.6052 0.2206 -0.0214 Br 0 0 0
- -1.6052 0.2206 -0.0214 Br 0 0 0
- -1.2452 -1.4771 0.0000 H 0 0 0
- -1.4224 -2.1455 0.0000 H 0 0 0
- 0.0000 -3.5679 0.0000 H 0 0 0
- 1.4224 -2.1455 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94739-29-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 53 1 V2000
- 0.5309 -0.7088 -0.6396 C 0 0 0
- -0.9248 -0.3498 -0.7355 C 0 0 0
- 1.1630 0.0553 0.4952 C 0 0 0
- 0.7010 -2.1832 -0.4067 C 0 0 0
- -1.8835 -1.1905 -0.3100 C 0 0 0
- -1.2945 0.8994 -1.2858 C 0 0 0
- 2.2132 0.9200 0.2463 C 0 0 0
- 0.6892 -0.1039 1.7842 C 0 0 0
- -0.3230 -2.9503 0.0056 C 0 0 0
- 1.9655 -2.7769 -0.6263 C 0 0 0
- -1.5614 -2.4100 0.2201 N 0 0 0
- -3.3308 -0.7847 -0.4178 C 0 0 0
- -1.5585 1.9434 -0.4724 O 0 0 0
- -1.3745 1.0329 -2.4926 O 0 0 0
- 2.7932 1.6221 1.2897 C 0 0 0
- 2.8038 1.1257 -1.3731 Cl 0 0 0
- 1.2680 0.5968 2.8256 C 0 0 0
- -0.1041 -4.4237 0.2344 C 0 0 0
- 2.8185 -2.9489 0.4052 O 0 0 0
- 2.2845 -3.1328 -1.7454 O 0 0 0
- -3.8780 -0.5856 0.9123 O 0 0 0
- -1.9534 3.0308 -1.3112 C 0 0 0
- 2.3214 1.4577 2.5794 C 0 0 0
- 4.1119 2.7075 0.9791 Cl 0 0 0
- 3.9929 -3.5641 -0.1282 C 0 0 0
- -5.1878 -0.3154 1.0679 C 0 0 0
- -3.3985 3.4207 -0.9940 C 0 0 0
- -1.0351 4.2285 -1.0596 C 0 0 0
- -5.7186 -0.2427 2.3046 N 0 0 0
- -5.8913 -0.1371 0.0934 O 0 0 0
- 1.4478 -0.9806 0.0000 H 0 0 0
- -0.0989 -0.6457 0.0000 H 0 0 0
- -2.2874 -3.0325 0.0000 H 0 0 0
- -4.0476 -1.4178 0.0000 H 0 0 0
- -3.1174 -1.7169 0.0000 H 0 0 0
- 0.5935 1.2748 0.0000 H 0 0 0
- -1.0500 -4.5642 0.0000 H 0 0 0
- 0.0364 -5.3696 0.0000 H 0 0 0
- 0.8418 -4.2832 0.0000 H 0 0 0
- -2.6003 2.3265 0.0000 H 0 0 0
- 1.8543 2.2922 0.0000 H 0 0 0
- 3.5491 -4.4112 0.0000 H 0 0 0
- 4.8400 -4.0079 0.0000 H 0 0 0
- 4.4367 -2.7170 0.0000 H 0 0 0
- -3.1494 4.3440 0.0000 H 0 0 0
- -4.3218 3.6698 0.0000 H 0 0 0
- -3.6476 2.4974 0.0000 H 0 0 0
- -0.2762 3.6466 0.0000 H 0 0 0
- -0.4532 4.9874 0.0000 H 0 0 0
- -1.7940 4.8104 0.0000 H 0 0 0
- -6.0800 0.6427 0.0000 H 0 0 0
- -6.3047 -0.9984 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 8 17 2 0
- 9 18 1 0
- 10 19 1 0
- 10 20 2 0
- 12 21 1 0
- 13 22 1 0
- 15 23 2 0
- 15 24 1 0
- 19 25 1 0
- 21 26 1 0
- 22 27 1 0
- 22 28 1 0
- 26 29 1 0
- 26 30 2 0
- 9 11 1 0
- 17 23 1 0
- 1 31 1 0
- 8 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 22 40 1 0
- 23 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
- 27 45 1 0
- 27 46 1 0
- 27 47 1 0
- 28 48 1 0
- 28 49 1 0
- 28 50 1 0
- 29 51 1 0
- 29 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-34-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.6017 -0.3151 0.0569 C 0 0 0
- -1.7070 0.6096 0.0270 C 0 0 0
- 0.7922 0.1546 0.1044 C 0 0 0
- -0.9086 -1.6601 0.0448 C 0 0 0
- -2.9463 0.0825 -0.0159 C 0 0 0
- 1.8030 -0.7364 0.1315 N 0 0 0
- 1.0320 1.3471 0.1192 O 0 0 0
- -2.6395 -1.6719 -0.0054 S 0 0 0
- -4.2465 0.7894 -0.0527 N 0 3 0
- 3.1272 -0.2947 0.0435 C 0 0 0
- -5.2846 0.1534 -0.0900 O 0 0 0
- -4.2781 2.0070 -0.0457 O 0 5 0
- 4.1622 -1.2148 -0.0642 C 0 0 0
- 3.4096 1.0649 0.0581 C 0 0 0
- 5.4684 -0.7754 -0.1508 C 0 0 0
- 4.7184 1.4978 -0.0289 C 0 0 0
- 5.7467 0.5792 -0.1304 C 0 0 0
- -1.5550 1.6343 0.0000 H 0 0 0
- -0.2599 -2.4678 0.0000 H 0 0 0
- 1.5969 -1.7516 0.0000 H 0 0 0
- 3.9553 -2.2298 0.0000 H 0 0 0
- 2.6363 1.7542 0.0000 H 0 0 0
- 6.2442 -1.4619 0.0000 H 0 0 0
- 4.9291 2.5121 0.0000 H 0 0 0
- 6.7302 0.9046 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 5 8 1 0
- 16 17 2 0
- 2 18 1 0
- 4 19 1 0
- 6 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63019-40-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.6214 0.7178 0.0021 C 0 0 0
- -0.2818 -0.3620 0.0010 C 0 0 0
- 2.0565 0.4281 0.0013 C 0 0 0
- 0.1437 2.0399 -0.0020 C 0 0 0
- -1.7161 -0.0729 0.0012 C 0 0 0
- 0.1955 -1.6848 0.0003 C 0 0 0
- 2.4790 -0.9216 -0.0002 C 0 0 0
- 3.0083 1.4517 0.0016 C 0 0 0
- -1.1814 2.3119 -0.0073 C 0 0 0
- -2.1401 1.2757 0.0027 C 0 0 0
- -2.6701 -1.1011 -0.0004 C 0 0 0
- 1.5203 -1.9573 0.0002 C 0 0 0
- 3.8530 -1.2079 -0.0010 C 0 0 0
- 4.3367 1.1391 0.0004 C 0 0 0
- -3.5139 1.5630 0.0027 C 0 0 0
- -4.0125 -0.7810 -0.0007 C 0 0 0
- -2.2759 -2.4009 -0.0021 O 0 0 0
- 4.7562 -0.1871 -0.0003 C 0 0 0
- -4.4226 0.5471 0.0014 C 0 0 0
- 0.8322 2.8357 0.0000 H 0 0 0
- -0.4934 -2.4803 0.0000 H 0 0 0
- 2.7020 2.4584 0.0000 H 0 0 0
- -1.5033 3.3138 0.0000 H 0 0 0
- 1.8419 -2.9593 0.0000 H 0 0 0
- 4.1845 -2.2066 0.0000 H 0 0 0
- 5.0523 1.9106 0.0000 H 0 0 0
- -3.8424 2.5627 0.0000 H 0 0 0
- -4.7319 -1.5490 0.0000 H 0 0 0
- -1.9705 -3.4079 0.0000 H 0 0 0
- 5.7856 -0.4054 0.0000 H 0 0 0
- -5.4506 0.7717 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 11 17 1 0
- 13 18 2 0
- 15 19 2 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-05-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.2411 0.0011 -0.0010 C 0 0 0
- 1.6411 0.0000 -0.0009 N 0 0 0
- -0.4534 -0.5653 -1.0614 C 0 0 0
- -0.4529 0.5635 1.0624 C 0 0 0
- 2.3728 -0.9478 0.8432 C 0 0 0
- 2.3744 0.9466 -0.8449 C 0 0 0
- -1.8346 -0.5647 -1.0612 C 0 0 0
- -1.8336 0.5642 1.0625 C 0 0 0
- 2.3856 -2.3231 0.1730 C 0 0 0
- 2.3971 2.3197 -0.1703 C 0 0 0
- -2.5284 0.0024 -0.0007 C 0 0 0
- -3.9284 0.0030 -0.0005 N 0 0 0
- -0.1302 -1.4735 0.0000 H 0 0 0
- -0.1307 1.4721 0.0000 H 0 0 0
- 3.2943 -1.2311 0.0000 H 0 0 0
- 2.9217 -0.1553 0.0000 H 0 0 0
- 2.9205 0.1522 0.0000 H 0 0 0
- 3.2974 1.2249 0.0000 H 0 0 0
- -2.1587 -1.4726 0.0000 H 0 0 0
- -2.1548 1.4731 0.0000 H 0 0 0
- 1.4216 -2.3321 0.0000 H 0 0 0
- 2.3946 -3.2871 0.0000 H 0 0 0
- 3.3496 -2.3141 0.0000 H 0 0 0
- 3.3610 2.3038 0.0000 H 0 0 0
- 2.4130 3.2836 0.0000 H 0 0 0
- 1.4332 2.3356 0.0000 H 0 0 0
- -4.4100 0.8381 0.0000 H 0 0 0
- -4.4108 -0.8317 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 11 12 1 0
- 8 11 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115-77-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -1.2840 -0.8561 0.0000 C 0 0 0
- -1.2483 0.0492 0.8833 C 0 0 0
- 0.0492 1.2483 -0.8833 C 0 0 0
- 1.2483 -0.0492 0.8833 C 0 0 0
- -0.0492 -1.2483 -0.8833 C 0 0 0
- -2.4141 0.0952 0.0583 O 0 0 0
- 0.0952 2.4141 -0.0583 O 0 0 0
- 2.4141 -0.0952 0.0583 O 0 0 0
- -0.0952 -2.4141 -0.0583 O 0 0 0
- -0.3430 0.0135 0.0000 H 0 0 0
- -1.2126 0.9545 0.0000 H 0 0 0
- 0.6029 0.5312 0.0000 H 0 0 0
- 0.9123 1.5239 0.0000 H 0 0 0
- 1.6400 0.7677 0.0000 H 0 0 0
- 0.6536 0.6343 0.0000 H 0 0 0
- 0.8493 -1.3647 0.0000 H 0 0 0
- 0.1469 -0.3638 0.0000 H 0 0 0
- -3.3194 0.1309 0.0000 H 0 0 0
- 0.1309 3.3194 0.0000 H 0 0 0
- 3.3194 -0.1309 0.0000 H 0 0 0
- -0.1309 -3.3194 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-156243-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.1820 1.0820 0.0038 C 0 0 0
- -1.1769 -0.3330 0.0030 C 0 0 0
- 0.0072 1.7958 0.0031 C 0 0 0
- -2.4856 1.4737 -0.0003 N 0 0 0
- 0.0009 -1.0423 0.0015 C 0 0 0
- -2.5109 -0.7196 0.0032 N 0 0 0
- 1.2256 1.1085 0.0015 C 0 0 0
- -3.2636 0.4206 -0.0035 C 0 0 0
- 1.2241 -0.3567 0.0007 C 0 0 0
- -0.0225 -2.5491 0.0011 C 0 0 0
- -3.0168 -2.0944 0.0021 C 0 0 0
- 2.3971 1.7570 0.0008 N 0 0 0
- -4.6397 0.4569 -0.0076 N 0 0 0
- 2.3924 -1.0078 -0.0012 N 0 0 0
- 3.5164 1.0701 -0.0007 C 0 0 0
- 3.5141 -0.3245 -0.0022 C 0 0 0
- 4.8274 -1.0636 -0.0044 C 0 0 0
- -0.0068 2.8359 0.0000 H 0 0 0
- -1.0626 -2.5329 0.0000 H 0 0 0
- -0.0387 -3.5892 0.0000 H 0 0 0
- 1.0176 -2.5653 0.0000 H 0 0 0
- -3.9930 -1.7352 0.0000 H 0 0 0
- -3.3760 -3.0706 0.0000 H 0 0 0
- -2.0406 -2.4536 0.0000 H 0 0 0
- -5.1359 1.3712 0.0000 H 0 0 0
- -5.1834 -0.4299 0.0000 H 0 0 0
- 4.4246 1.5773 0.0000 H 0 0 0
- 4.3172 -1.9701 0.0000 H 0 0 0
- 5.7339 -1.5738 0.0000 H 0 0 0
- 5.3376 -0.1571 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 12 15 2 0
- 14 16 2 0
- 16 17 1 0
- 6 8 1 0
- 7 9 2 0
- 15 16 1 0
- 3 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
- 13 25 1 0
- 13 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15121-84-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7051 0.4862 -0.0383 C 0 0 0
- 0.2906 -0.8039 -0.3126 C 0 0 0
- 2.0277 0.7351 0.2762 C 0 0 0
- -0.2665 1.6018 -0.0872 N 0 3 0
- 1.1991 -1.8448 -0.2725 C 0 0 0
- -1.1514 -1.0752 -0.6559 C 0 0 0
- 2.9364 -0.3062 0.3163 C 0 0 0
- -0.8401 1.8645 -1.1291 O 0 0 0
- -0.4924 2.2571 0.9143 O 0 5 0
- 2.5221 -1.5960 0.0424 C 0 0 0
- -1.9817 -1.1200 0.6285 C 0 0 0
- -3.3491 -1.3772 0.3030 O 0 0 0
- 2.3605 1.6952 0.0000 H 0 0 0
- 0.8663 -2.8049 0.0000 H 0 0 0
- -1.5710 -2.0007 0.0000 H 0 0 0
- -0.5239 -1.8745 0.0000 H 0 0 0
- 3.9316 -0.1010 0.0000 H 0 0 0
- 3.1944 -2.3580 0.0000 H 0 0 0
- -1.5621 -0.1945 0.0000 H 0 0 0
- -2.6091 -0.3207 0.0000 H 0 0 0
- -4.3477 -1.5650 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 11 12 1 0
- 7 10 2 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-892-17-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- 0.4446 0.3199 0.0021 C 0 0 0
- -0.3039 -0.8789 0.0009 C 0 0 0
- 1.9076 0.2365 0.0014 C 0 0 0
- -0.2166 1.5518 -0.0019 C 0 0 0
- -1.7035 -0.8225 0.0008 C 0 0 0
- 0.3929 -2.1610 -0.0007 C 0 0 0
- 2.5249 -1.0341 -0.0002 C 0 0 0
- 2.6972 1.3899 0.0019 C 0 0 0
- -1.5750 1.5962 -0.0071 C 0 0 0
- 0.5780 2.8323 -0.0001 C 0 0 0
- -2.3411 0.4101 0.0020 C 0 0 0
- -2.7303 -1.9293 -0.0008 C 0 0 0
- 1.7408 -2.2113 -0.0012 C 0 0 0
- 3.9259 -1.1119 -0.0009 C 0 0 0
- 4.0580 1.2798 0.0008 C 0 0 0
- -3.8039 0.2378 0.0011 C 0 0 0
- -4.1026 -1.2417 -0.0007 C 0 0 0
- 4.6692 0.0314 0.0000 C 0 0 0
- -4.6255 1.1297 0.0018 O 0 0 0
- -0.1635 -3.0582 0.0000 H 0 0 0
- 2.2429 2.3428 0.0000 H 0 0 0
- -2.0647 2.5315 0.0000 H 0 0 0
- 1.4750 2.2757 0.0000 H 0 0 0
- 1.1346 3.7293 0.0000 H 0 0 0
- -0.3190 3.3889 0.0000 H 0 0 0
- -3.2901 -2.8243 0.0000 H 0 0 0
- -1.8921 -2.5711 0.0000 H 0 0 0
- 2.2217 -3.1511 0.0000 H 0 0 0
- 4.4035 -2.0534 0.0000 H 0 0 0
- 4.6524 2.1522 0.0000 H 0 0 0
- -5.1149 -0.9422 0.0000 H 0 0 0
- -4.4903 -2.2236 0.0000 H 0 0 0
- 5.7229 -0.0325 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 11 16 1 0
- 12 17 1 0
- 14 18 2 0
- 16 19 2 0
- 7 13 1 0
- 9 11 1 0
- 15 18 1 0
- 16 17 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-591-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0001 -1.8055 -0.0021 C 0 0 0
- -1.2009 -1.1109 -0.0015 C 0 0 0
- 1.2007 -1.1112 -0.0017 C 0 0 0
- 0.0000 -3.1645 0.0025 O 0 0 0
- -1.1988 0.2716 -0.0004 C 0 0 0
- 1.1987 0.2717 -0.0006 C 0 0 0
- 0.0002 0.9626 0.0005 C 0 0 0
- -2.7012 1.1413 0.0004 Cl 0 0 0
- 2.7012 1.1413 0.0005 Cl 0 0 0
- -2.1003 -1.6288 0.0000 H 0 0 0
- 2.1001 -1.6292 0.0000 H 0 0 0
- -0.0001 -4.2024 0.0000 H 0 0 0
- 0.0003 2.0005 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 7 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7745-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -2.6129 0.4308 -0.0646 C 0 0 0
- -3.3277 -0.6081 0.5063 C 0 0 0
- -1.3608 0.1969 -0.6006 C 0 0 0
- -3.2929 2.0274 -0.1137 Cl 0 0 0
- -2.7916 -1.8818 0.5424 C 0 0 0
- -4.6929 -0.3500 1.0900 C 0 0 0
- -0.8204 -1.0823 -0.5658 C 0 0 0
- -1.5406 -2.1220 0.0083 C 0 0 0
- 0.4446 -1.3225 -1.1070 N 0 0 0
- 8.9264 0.3304 0.2409 Cl 0 0 0
- -0.7552 0.9491 0.0000 H 0 0 0
- -3.3996 -2.6321 0.0000 H 0 0 0
- -4.5135 0.5989 0.0000 H 0 0 0
- -5.6418 -0.1706 0.0000 H 0 0 0
- -4.8723 -1.2989 0.0000 H 0 0 0
- -1.1756 -3.0160 0.0000 H 0 0 0
- 0.7630 -2.2342 0.0000 H 0 0 0
- 1.0750 -0.5909 0.0000 H 0 0 0
- 9.8921 0.3304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 8 2 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3179-47-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 41 1 V2000
- 2.2094 -0.5686 0.0000 C 0 0 0
- 0.9747 0.3350 0.0000 C 0 0 0
- 3.4084 0.2502 0.0000 O 0 0 0
- -0.2888 -0.5278 0.0000 C 0 0 0
- 4.6234 -0.3337 0.0000 C 0 0 0
- -1.5234 0.3758 0.0000 C 0 0 0
- 5.8369 0.4950 0.0000 C 0 0 0
- 4.7151 -1.5456 0.0000 O 0 0 0
- -2.7869 -0.4870 0.0000 C 0 0 0
- 5.7232 1.9977 0.0000 C 0 0 0
- 7.0364 -0.0816 0.0000 C 0 0 0
- -4.0215 0.4167 0.0000 C 0 0 0
- -5.2850 -0.4462 0.0000 C 0 0 0
- -6.5197 0.4575 0.0000 C 0 0 0
- -7.7832 -0.4053 0.0000 C 0 0 0
- -9.0178 0.4983 0.0000 C 0 0 0
- 1.4314 -1.4120 0.0000 H 0 0 0
- 2.9595 -1.4370 0.0000 H 0 0 0
- 1.7527 1.1784 0.0000 H 0 0 0
- 0.2246 1.2034 0.0000 H 0 0 0
- -1.0668 -1.3712 0.0000 H 0 0 0
- 0.4613 -1.3962 0.0000 H 0 0 0
- -0.7454 1.2192 0.0000 H 0 0 0
- -2.2735 1.2442 0.0000 H 0 0 0
- -3.5650 -1.3304 0.0000 H 0 0 0
- -2.0369 -1.3554 0.0000 H 0 0 0
- 6.8674 2.0843 0.0000 H 0 0 0
- 5.6366 3.1419 0.0000 H 0 0 0
- 4.5790 1.9111 0.0000 H 0 0 0
- 7.1230 -1.2258 0.0000 H 0 0 0
- 7.9840 0.5655 0.0000 H 0 0 0
- -3.2435 1.2601 0.0000 H 0 0 0
- -4.7716 1.2851 0.0000 H 0 0 0
- -6.0630 -1.2896 0.0000 H 0 0 0
- -4.5349 -1.3146 0.0000 H 0 0 0
- -5.7417 1.3009 0.0000 H 0 0 0
- -7.2697 1.3259 0.0000 H 0 0 0
- -8.5612 -1.2487 0.0000 H 0 0 0
- -7.0331 -1.2737 0.0000 H 0 0 0
- -8.3401 1.4243 0.0000 H 0 0 0
- -9.9438 1.1760 0.0000 H 0 0 0
- -9.6955 -0.4277 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 5 2 0
- 9 6 1 0
- 10 7 1 0
- 11 7 2 0
- 12 9 1 0
- 13 12 1 0
- 14 13 1 0
- 15 14 1 0
- 16 15 1 0
- 1 17 1 0
- 1 18 1 0
- 2 19 1 0
- 2 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 6 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 16 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5002-47-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 85 88 1 V2000
- 4.3313 1.4386 0.0698 C 0 0 0
- 4.8680 0.2691 -0.4682 N 0 0 0
- 4.7029 1.9004 1.3264 C 0 0 0
- 3.4063 2.1543 -0.6824 C 0 0 0
- 6.1295 -0.2146 -0.1215 C 0 0 0
- 4.0717 -0.4847 -1.4397 C 0 0 0
- 5.8742 1.0409 2.3156 S 0 0 0
- 4.1381 3.0726 1.8205 C 0 0 0
- 2.8520 3.3180 -0.1836 C 0 0 0
- 6.7020 0.0621 1.1138 C 0 0 0
- 6.8217 -0.9911 -1.0444 C 0 0 0
- 3.2059 -1.5094 -0.7041 C 0 0 0
- 3.2164 3.7750 1.0687 C 0 0 0
- 1.8500 4.0879 -1.0048 C 0 0 0
- 7.9635 -0.4440 1.4133 C 0 0 0
- 8.0744 -1.4879 -0.7381 C 0 0 0
- 2.3743 -2.2966 -1.7187 C 0 0 0
- 1.4356 5.2194 -0.2941 F 0 0 0
- 2.4406 4.4843 -2.2095 F 0 0 0
- 0.7437 3.2747 -1.2732 F 0 0 0
- 8.6445 -1.2143 0.4908 C 0 0 0
- 1.5430 -3.2805 -1.0124 N 0 0 0
- 0.7749 -3.9975 -2.0376 C 0 0 0
- 0.5771 -2.5189 -0.2110 C 0 0 0
- -0.2071 -4.9583 -1.3663 C 0 0 0
- -0.4049 -3.4797 0.4604 C 0 0 0
- -1.1731 -4.1967 -0.5649 N 0 0 0
- -2.0043 -5.1806 0.1415 C 0 0 0
- -3.0389 -4.4510 1.0007 C 0 0 0
- -3.8803 -3.6278 0.1505 O 0 0 0
- -4.8648 -2.8924 0.6906 C 0 0 0
- -5.7380 -2.0381 -0.1918 C 0 0 0
- -5.0508 -2.9154 1.8842 O 0 0 0
- -6.7725 -1.3085 0.6674 C 0 0 0
- -7.6591 -0.4411 -0.2284 C 0 0 0
- -8.6937 0.2884 0.6308 C 0 0 0
- -9.5802 1.1558 -0.2651 C 0 0 0
- -10.6148 1.8854 0.5941 C 0 0 0
- -11.5013 2.7528 -0.3017 C 0 0 0
- -12.5359 3.4823 0.5575 C 0 0 0
- -13.4225 4.3497 -0.3384 C 0 0 0
- 2.6820 1.5705 0.0000 H 0 0 0
- 3.8223 0.4115 0.0000 H 0 0 0
- 3.1629 -0.2862 0.0000 H 0 0 0
- 4.8589 3.6606 0.0000 H 0 0 0
- 6.2887 -1.7535 0.0000 H 0 0 0
- 3.4553 -2.4056 0.0000 H 0 0 0
- 4.1147 -1.7079 0.0000 H 0 0 0
- 3.1020 4.6982 0.0000 H 0 0 0
- 8.4996 0.3162 0.0000 H 0 0 0
- 8.1069 -2.4176 0.0000 H 0 0 0
- 2.1249 -1.4004 0.0000 H 0 0 0
- 1.4655 -2.0981 0.0000 H 0 0 0
- 9.5562 -1.3988 0.0000 H 0 0 0
- 0.5581 -3.0929 0.0000 H 0 0 0
- -0.1190 -3.7399 0.0000 H 0 0 0
- 1.1838 -1.8138 0.0000 H 0 0 0
- -0.1014 -1.8825 0.0000 H 0 0 0
- -0.8138 -5.6634 0.0000 H 0 0 0
- 0.4714 -5.5947 0.0000 H 0 0 0
- -0.1881 -4.3843 0.0000 H 0 0 0
- 0.4890 -3.7373 0.0000 H 0 0 0
- -2.5623 -5.9249 0.0000 H 0 0 0
- -1.2765 -5.7600 0.0000 H 0 0 0
- -3.9201 -4.7490 0.0000 H 0 0 0
- -3.1724 -5.3716 0.0000 H 0 0 0
- -4.8568 -1.7401 0.0000 H 0 0 0
- -5.6045 -1.1175 0.0000 H 0 0 0
- -7.6537 -1.6065 0.0000 H 0 0 0
- -6.9060 -2.2291 0.0000 H 0 0 0
- -6.7779 -0.1430 0.0000 H 0 0 0
- -7.5256 0.4795 0.0000 H 0 0 0
- -9.5749 -0.0096 0.0000 H 0 0 0
- -8.8272 -0.6322 0.0000 H 0 0 0
- -8.6990 1.4538 0.0000 H 0 0 0
- -9.4467 2.0764 0.0000 H 0 0 0
- -11.4960 1.5874 0.0000 H 0 0 0
- -10.7483 0.9648 0.0000 H 0 0 0
- -10.6201 3.0508 0.0000 H 0 0 0
- -11.3678 3.6734 0.0000 H 0 0 0
- -13.4171 3.1842 0.0000 H 0 0 0
- -12.6694 2.5617 0.0000 H 0 0 0
- -12.7720 5.0146 0.0000 H 0 0 0
- -14.0874 5.0002 0.0000 H 0 0 0
- -14.0730 3.6848 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 2 0
- 17 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 31 32 1 0
- 31 33 2 0
- 32 34 1 0
- 34 35 1 0
- 35 36 1 0
- 36 37 1 0
- 37 38 1 0
- 38 39 1 0
- 39 40 1 0
- 40 41 1 0
- 7 10 1 0
- 9 13 1 0
- 16 21 1 0
- 26 27 1 0
- 4 42 1 0
- 6 43 1 0
- 6 44 1 0
- 8 45 1 0
- 11 46 1 0
- 12 47 1 0
- 12 48 1 0
- 13 49 1 0
- 15 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 21 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 25 59 1 0
- 25 60 1 0
- 26 61 1 0
- 26 62 1 0
- 28 63 1 0
- 28 64 1 0
- 29 65 1 0
- 29 66 1 0
- 32 67 1 0
- 32 68 1 0
- 34 69 1 0
- 34 70 1 0
- 35 71 1 0
- 35 72 1 0
- 36 73 1 0
- 36 74 1 0
- 37 75 1 0
- 37 76 1 0
- 38 77 1 0
- 38 78 1 0
- 39 79 1 0
- 39 80 1 0
- 40 81 1 0
- 40 82 1 0
- 41 83 1 0
- 41 84 1 0
- 41 85 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32861-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.8811 -0.7639 0.3760 C 0 0 0
- -0.0544 -1.7234 0.6006 O 0 0 0
- 2.2305 -1.0682 0.4934 C 0 0 0
- 0.4891 0.5185 0.0238 C 0 0 0
- -1.2657 -1.1077 0.5624 C 0 0 0
- 3.1820 -0.0931 0.2653 C 0 0 0
- 1.4462 1.4953 -0.2046 C 0 0 0
- -1.8904 -0.8774 -0.6558 C 0 0 0
- -1.8820 -0.7135 1.7411 C 0 0 0
- 2.7935 1.1875 -0.0799 C 0 0 0
- 4.6201 -0.4202 0.3912 N 0 3 0
- 1.0652 2.7531 -0.5504 O 0 0 0
- -3.1223 -0.2510 -0.6919 C 0 0 0
- -1.1252 -1.3751 -2.1325 Cl 0 0 0
- -3.1129 -0.0879 1.7003 C 0 0 0
- 5.4599 0.4388 0.1903 O 0 0 0
- 4.9636 -1.5484 0.6957 O 0 5 0
- 2.2618 3.5167 -0.7146 C 0 0 0
- -3.7318 0.1461 0.4849 C 0 0 0
- -5.2785 0.9331 0.4372 Cl 0 0 0
- 2.5161 -2.0325 0.0000 H 0 0 0
- -0.4880 0.7569 0.0000 H 0 0 0
- -1.3826 0.1595 0.0000 H 0 0 0
- 3.4794 1.9231 0.0000 H 0 0 0
- -3.6255 -1.1218 0.0000 H 0 0 0
- -2.7066 0.8321 0.0000 H 0 0 0
- 2.8028 2.6689 0.0000 H 0 0 0
- 3.1096 4.0577 0.0000 H 0 0 0
- 1.7208 4.3645 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 2 0
- 11 16 2 0
- 11 17 1 0
- 12 18 1 0
- 13 19 2 0
- 19 20 1 0
- 7 10 2 0
- 15 19 1 0
- 3 21 1 0
- 4 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 15 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -3.4336 -0.4615 0.3794 C 0 0 0
- -4.2760 0.2306 -0.4751 C 0 0 0
- -2.2005 0.0662 0.7124 C 0 0 0
- -3.9300 -1.9890 1.0380 Cl 0 0 0
- -3.8850 1.4505 -0.9972 C 0 0 0
- -5.8245 -0.4343 -0.8920 Cl 0 0 0
- -1.8069 1.2909 0.1895 C 0 0 0
- -2.6533 1.9819 -0.6672 C 0 0 0
- -0.5586 1.8280 0.5254 N 0 0 0
- 0.5617 1.1057 0.3259 C 0 0 0
- 1.7482 1.5659 0.7695 N 0 0 0
- 0.5018 0.0388 -0.2542 O 0 0 0
- 2.9285 0.8879 0.4425 C 0 0 0
- 4.1608 1.4421 0.7634 C 0 0 0
- 2.8690 -0.3424 -0.1980 C 0 0 0
- 5.3236 0.7711 0.4402 C 0 0 0
- 4.0351 -1.0097 -0.5192 C 0 0 0
- 5.2616 -0.4529 -0.2031 C 0 0 0
- 6.7253 -1.2937 -0.6086 Cl 0 0 0
- -1.4567 -0.6112 0.0000 H 0 0 0
- -4.6301 2.1265 0.0000 H 0 0 0
- -2.5142 2.9783 0.0000 H 0 0 0
- -0.4750 2.8305 0.0000 H 0 0 0
- 1.8243 2.5690 0.0000 H 0 0 0
- 4.2115 2.4468 0.0000 H 0 0 0
- 1.9868 -0.8259 0.0000 H 0 0 0
- 6.2072 1.2520 0.0000 H 0 0 0
- 3.9880 -2.0146 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 7 8 2 0
- 17 18 2 0
- 3 20 1 0
- 5 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-65945-06-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- -0.0025 0.5836 0.0022 C 0 0 0
- -0.8184 -0.5634 0.0010 C 0 0 0
- 1.4511 0.4078 0.0016 C 0 0 0
- -0.5818 1.8647 -0.0018 C 0 0 0
- -2.2718 -0.3870 0.0010 C 0 0 0
- -0.2393 -1.8446 -0.0007 C 0 0 0
- 1.9779 -0.9049 0.0000 C 0 0 0
- 2.3169 1.5056 0.0020 C 0 0 0
- -1.9240 2.0329 -0.0072 C 0 0 0
- -2.7988 0.9254 0.0025 C 0 0 0
- -3.1404 -1.4821 -0.0008 C 0 0 0
- 1.1028 -2.0126 -0.0016 C 0 0 0
- 3.3691 -1.0846 -0.0007 C 0 0 0
- 3.6658 1.3073 0.0009 C 0 0 0
- -4.1909 1.1032 0.0024 C 0 0 0
- -4.4892 -1.2746 -0.0012 C 0 0 0
- 4.1973 0.0164 0.0001 C 0 0 0
- -5.0114 0.0147 0.0010 C 0 0 0
- 5.5452 -0.1559 -0.0005 O 0 0 0
- 0.0416 2.7100 0.0000 H 0 0 0
- -0.8627 -2.6899 0.0000 H 0 0 0
- 1.9288 2.4816 0.0000 H 0 0 0
- -2.3222 3.0048 0.0000 H 0 0 0
- -2.7569 -2.4599 0.0000 H 0 0 0
- 1.5010 -2.9845 0.0000 H 0 0 0
- 3.7769 -2.0525 0.0000 H 0 0 0
- 4.3123 2.1351 0.0000 H 0 0 0
- -4.5989 2.0711 0.0000 H 0 0 0
- -5.1409 -2.0983 0.0000 H 0 0 0
- -6.0528 0.1514 0.0000 H 0 0 0
- 6.5871 -0.2891 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 17 19 1 0
- 7 12 1 0
- 9 10 1 0
- 14 17 1 0
- 16 18 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-12-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.9228 0.5696 -0.0047 C 0 0 0
- -0.8116 -0.8928 -0.0020 C 0 0 0
- 0.2253 1.3602 -0.0046 C 0 0 0
- -2.2083 1.1519 -0.0014 C 0 0 0
- 0.4427 -1.5008 0.0007 C 0 0 0
- -1.9943 -1.6627 -0.0017 C 0 0 0
- 1.4790 0.7522 -0.0020 C 0 0 0
- -3.3057 0.3525 0.0041 C 0 0 0
- 1.5902 -0.7102 0.0007 C 0 0 0
- -3.2000 -1.0384 -0.0038 C 0 0 0
- 2.6623 1.5222 -0.0008 C 0 0 0
- -4.6738 0.9844 0.0075 C 0 0 0
- 2.8761 -1.2927 0.0029 C 0 0 0
- 3.8676 0.8979 0.0028 C 0 0 0
- 3.9733 -0.4935 0.0024 C 0 0 0
- 0.1461 2.4034 0.0000 H 0 0 0
- -2.3150 2.1926 0.0000 H 0 0 0
- 0.5221 -2.5440 0.0000 H 0 0 0
- -1.9424 -2.7076 0.0000 H 0 0 0
- -4.0725 -1.6156 0.0000 H 0 0 0
- 2.6106 2.5671 0.0000 H 0 0 0
- -4.2351 1.9342 0.0000 H 0 0 0
- -5.6236 1.4231 0.0000 H 0 0 0
- -5.1125 0.0346 0.0000 H 0 0 0
- 2.9827 -2.3334 0.0000 H 0 0 0
- 4.7402 1.4750 0.0000 H 0 0 0
- 4.9231 -0.9322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 10 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15972-60-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -0.8751 -0.3699 -0.0533 C 0 0 0
- 0.1872 0.4294 0.3832 N 0 0 0
- -1.6648 0.0430 -1.1181 C 0 0 0
- -1.1384 -1.5808 0.5741 C 0 0 0
- 1.3835 0.3557 -0.2333 C 0 0 0
- -0.0009 1.3463 1.5101 C 0 0 0
- -2.7128 -0.7484 -1.5465 C 0 0 0
- -1.3791 1.3534 -1.8053 C 0 0 0
- -2.1875 -2.3674 0.1410 C 0 0 0
- -0.2803 -2.0356 1.7264 C 0 0 0
- 2.6261 0.0595 0.5662 C 0 0 0
- 1.4599 0.5279 -1.4314 O 0 0 0
- -1.2478 2.0294 1.3654 O 0 0 0
- -2.9758 -1.9505 -0.9162 C 0 0 0
- -2.5045 2.3445 -1.5017 C 0 0 0
- 0.9415 -2.7831 1.1885 C 0 0 0
- 4.0546 0.0270 -0.5334 Cl 0 0 0
- -1.7007 2.3458 2.6833 C 0 0 0
- 0.9423 1.3159 0.0000 H 0 0 0
- 0.2478 2.2567 0.0000 H 0 0 0
- -3.5075 -0.2394 0.0000 H 0 0 0
- -0.5040 1.0000 0.0000 H 0 0 0
- -0.8835 2.1565 0.0000 H 0 0 0
- -2.1135 -3.3082 0.0000 H 0 0 0
- 0.5393 -1.5677 0.0000 H 0 0 0
- -0.2951 -1.0920 0.0000 H 0 0 0
- 2.0274 -0.6700 0.0000 H 0 0 0
- 3.0199 -0.7981 0.0000 H 0 0 0
- -3.8319 -2.3477 0.0000 H 0 0 0
- -1.8808 3.0527 0.0000 H 0 0 0
- -3.2127 2.9682 0.0000 H 0 0 0
- -3.1282 1.6363 0.0000 H 0 0 0
- 0.4490 -3.5881 0.0000 H 0 0 0
- 1.7465 -3.2756 0.0000 H 0 0 0
- 1.4340 -1.9781 0.0000 H 0 0 0
- -1.1602 3.1194 0.0000 H 0 0 0
- -2.4743 2.8863 0.0000 H 0 0 0
- -2.2412 1.5722 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 1 0
- 9 14 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 14 29 1 0
- 15 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-194-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- 0.7314 -0.6789 0.0020 C 0 0 0
- -0.7319 -0.6790 0.0015 C 0 0 0
- 1.7472 0.3676 0.0012 C 0 0 0
- 1.1326 -2.0178 -0.0030 C 0 0 0
- -1.7474 0.3676 0.0003 C 0 0 0
- -1.1335 -2.0178 0.0029 C 0 0 0
- 3.1123 -0.0092 0.0022 C 0 0 0
- 1.4057 1.7247 -0.0012 C 0 0 0
- -0.0005 -2.8060 -0.0065 N 0 0 0
- 2.4983 -2.3356 -0.0032 C 0 0 0
- -3.1126 -0.0085 0.0005 C 0 0 0
- -1.4047 1.7245 0.0000 C 0 0 0
- -2.4994 -2.3351 0.0030 C 0 0 0
- 3.4542 -1.3753 0.0036 C 0 0 0
- 4.0994 0.9891 0.0015 C 0 0 0
- 2.3897 2.6687 -0.0023 C 0 0 0
- -3.4550 -1.3745 0.0014 C 0 0 0
- -4.0990 0.9906 -0.0006 C 0 0 0
- -2.3881 2.6691 -0.0001 C 0 0 0
- 3.7323 2.3011 -0.0004 C 0 0 0
- -3.7309 2.3022 -0.0019 C 0 0 0
- 0.3970 2.0146 0.0000 H 0 0 0
- -0.0005 -3.8556 0.0000 H 0 0 0
- 2.7879 -3.3444 0.0000 H 0 0 0
- -0.3957 2.0136 0.0000 H 0 0 0
- -2.7893 -3.3438 0.0000 H 0 0 0
- 4.4660 -1.6542 0.0000 H 0 0 0
- 5.1154 0.7259 0.0000 H 0 0 0
- 2.1314 3.6860 0.0000 H 0 0 0
- -4.4669 -1.6530 0.0000 H 0 0 0
- -5.1152 0.7282 0.0000 H 0 0 0
- -2.1292 3.6862 0.0000 H 0 0 0
- 4.4724 3.0453 0.0000 H 0 0 0
- -4.4705 3.0469 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 18 21 2 0
- 6 9 1 0
- 10 14 2 0
- 13 17 2 0
- 16 20 1 0
- 19 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.4466 0.0240 -0.0014 C 0 0 0
- -0.8382 0.7229 0.0010 C 0 0 0
- 1.7322 0.8104 0.0002 C 0 0 0
- 0.4774 -1.1889 0.0005 O 0 0 0
- -1.9767 0.0265 -0.0004 C 0 0 0
- -0.8648 1.7715 0.0000 H 0 0 0
- 2.2796 -0.0844 0.0000 H 0 0 0
- 2.6270 1.3578 0.0000 H 0 0 0
- 1.1848 1.7052 0.0000 H 0 0 0
- -2.8981 0.5278 0.0000 H 0 0 0
- -1.9501 -1.0221 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1820-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.7417 -0.6935 -0.0176 C 0 0 0
- -0.7418 -0.6935 0.0177 C 0 0 0
- 1.4552 0.3503 0.5684 C 0 0 0
- 1.4264 -1.7399 -0.6317 C 0 0 0
- -1.4552 0.3505 -0.5680 C 0 0 0
- -1.4265 -1.7400 0.6316 C 0 0 0
- 2.8347 0.3453 0.5326 C 0 0 0
- 0.7347 1.4627 1.2277 N 0 3 0
- 2.8065 -1.7348 -0.6617 C 0 0 0
- -2.8347 0.3455 -0.5322 C 0 0 0
- -0.7347 1.4625 -1.2278 N 0 3 0
- -2.8065 -1.7349 0.6616 C 0 0 0
- 3.5094 -0.6935 -0.0836 C 0 0 0
- 1.3594 2.3744 1.7395 O 0 0 0
- -0.4829 1.4662 1.2583 O 0 5 0
- -3.5094 -0.6934 0.0837 C 0 0 0
- -1.3593 2.3744 -1.7394 O 0 0 0
- 0.4829 1.4656 -1.2591 O 0 5 0
- 4.9892 -0.6935 -0.1188 N 0 3 0
- -4.9892 -0.6934 0.1189 N 0 3 0
- 5.5855 -1.6069 -0.6608 O 0 0 0
- 5.6106 0.2200 0.3941 O 0 5 0
- -5.5855 -1.6069 0.6606 O 0 0 0
- -5.6106 0.2202 -0.3937 O 0 5 0
- 0.9798 -2.5696 0.0000 H 0 0 0
- -0.9798 -2.5697 0.0000 H 0 0 0
- 3.2858 1.1726 0.0000 H 0 0 0
- 3.2502 -2.5660 0.0000 H 0 0 0
- -3.2858 1.1728 0.0000 H 0 0 0
- -3.2503 -2.5661 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 8 15 1 0
- 10 16 1 0
- 11 17 2 0
- 11 18 1 0
- 13 19 1 0
- 16 20 1 0
- 19 21 2 0
- 19 22 1 0
- 20 23 2 0
- 20 24 1 0
- 9 13 2 0
- 12 16 2 0
- 4 25 1 0
- 6 26 1 0
- 7 27 1 0
- 9 28 1 0
- 10 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-40-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.5934 0.0051 0.1561 C 0 0 0
- 0.1503 -1.1806 -0.4715 C 0 0 0
- 0.1335 1.2938 -0.2344 C 0 0 0
- -2.0057 0.0464 -0.3679 C 0 0 0
- 1.5196 -1.3036 0.2005 C 0 0 0
- 1.6036 1.1602 0.0356 C 0 0 0
- -3.0152 -0.0514 0.4613 C 0 0 0
- 2.2073 0.0301 0.2203 C 0 0 0
- -1.1174 -0.9102 0.0000 H 0 0 0
- -0.8428 -1.5359 0.0000 H 0 0 0
- 0.2839 -2.2268 0.0000 H 0 0 0
- 0.3756 2.3203 0.0000 H 0 0 0
- -0.8488 1.6777 0.0000 H 0 0 0
- -2.0412 1.1005 0.0000 H 0 0 0
- 1.2911 -2.3332 0.0000 H 0 0 0
- 2.5114 -1.6625 0.0000 H 0 0 0
- 2.1864 2.0393 0.0000 H 0 0 0
- -3.6282 0.8069 0.0000 H 0 0 0
- -3.4520 -1.0114 0.0000 H 0 0 0
- 3.2620 0.0378 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 8 2 0
- 1 9 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-153-98-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.1524 -0.1850 0.1793 C 0 0 0
- -0.8854 -1.3495 -0.1103 C 0 0 0
- 1.2368 -0.6142 0.3580 C 0 0 0
- -0.8015 1.0499 0.2464 C 0 0 0
- 0.0056 -2.4020 -0.1049 N 0 0 0
- -2.2555 -1.2594 -0.3329 C 0 0 0
- 1.2638 -1.9440 0.1759 C 0 0 0
- 2.4129 0.2696 0.6845 C 0 0 0
- -2.1626 1.1177 0.0269 C 0 0 0
- -2.8843 -0.0362 -0.2688 C 0 0 0
- 3.0531 0.7665 -0.6133 C 0 0 0
- -2.8000 2.3173 0.0908 O 0 0 0
- 4.1996 1.6281 -0.2950 N 0 0 0
- -0.2468 1.9185 0.0000 H 0 0 0
- -0.2590 -3.3981 0.0000 H 0 0 0
- -2.8210 -2.1210 0.0000 H 0 0 0
- 2.1140 -2.5265 0.0000 H 0 0 0
- 2.5425 -0.7529 0.0000 H 0 0 0
- 3.3652 -0.1245 0.0000 H 0 0 0
- -3.9140 0.0071 0.0000 H 0 0 0
- 2.9235 1.7890 0.0000 H 0 0 0
- 2.1008 1.1606 0.0000 H 0 0 0
- -3.2836 3.2275 0.0000 H 0 0 0
- 5.1478 1.2241 0.0000 H 0 0 0
- 4.0753 2.6512 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 5 7 1 0
- 9 10 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-548-08-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- 0.4805 -0.0968 -0.0163 C 0 0 0
- -0.6065 0.7753 -0.1026 C 0 0 0
- 1.7772 0.4021 0.0934 C 0 0 0
- 0.2399 -1.5593 -0.0489 C 0 0 0
- -2.0019 0.2191 -0.1973 C 0 0 1
- -0.3913 2.1377 -0.1051 C 0 0 0
- 1.9817 1.7783 0.1137 C 0 0 0
- 2.9863 -0.2214 0.1940 O 0 0 0
- -1.0361 -2.0395 0.2424 C 0 0 0
- 1.2637 -2.4462 -0.3648 C 0 0 0
- -2.1301 -1.0737 0.6050 C 0 0 0
- -2.9561 1.2033 0.3320 N 0 0 0
- 0.8990 2.6346 0.0136 C 0 0 0
- -1.5259 3.1114 -0.2637 C 0 0 0
- 3.3205 2.0182 0.2338 O 0 0 0
- 3.9657 0.7833 -0.1296 C 0 0 0
- -1.2809 -3.3970 0.2065 C 0 0 0
- 1.0078 -3.8030 -0.3943 C 0 0 0
- -2.8484 2.3992 -0.5031 C 0 0 0
- -4.2991 0.6517 0.1082 C 0 0 0
- -0.2608 -4.2761 -0.1102 C 0 0 0
- -2.9797 -0.1219 0.0000 H 0 0 0
- 2.2416 -2.1055 0.0000 H 0 0 0
- -3.1172 -0.7608 0.0000 H 0 0 0
- -2.6402 -1.9749 0.0000 H 0 0 0
- 1.0545 3.6584 0.0000 H 0 0 0
- -0.7605 3.8089 0.0000 H 0 0 0
- -2.1246 3.9563 0.0000 H 0 0 0
- 4.6269 -0.0136 0.0000 H 0 0 0
- 4.8279 1.3569 0.0000 H 0 0 0
- -2.2570 -3.7429 0.0000 H 0 0 0
- 1.7997 -4.4702 0.0000 H 0 0 0
- -3.1538 3.3887 0.0000 H 0 0 0
- -3.8783 2.2909 0.0000 H 0 0 0
- -4.6925 1.6096 0.0000 H 0 0 0
- -5.2570 0.2583 0.0000 H 0 0 0
- -3.9057 -0.3062 0.0000 H 0 0 0
- -0.4433 -5.2954 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 1 0
- 12 20 1 0
- 17 21 2 0
- 7 13 1 0
- 9 11 1 0
- 14 19 1 0
- 15 16 1 0
- 18 21 1 0
- 5 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 20 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2381-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.4003 -0.0821 -0.0020 C 0 0 0
- -1.7938 0.1063 -0.0014 C 0 0 0
- 0.4560 1.0336 -0.0002 C 0 0 0
- 0.1489 -1.4386 0.0015 C 0 0 0
- -2.3174 1.4198 0.0006 C 0 0 0
- -2.6603 -1.0094 -0.0023 C 0 0 0
- 1.8990 0.8026 -0.0009 C 0 0 0
- -0.0888 2.3314 0.0026 C 0 0 0
- 1.5217 -1.6239 0.0005 C 0 0 0
- -0.7754 -2.5730 0.0057 C 0 0 0
- -1.4322 2.5209 0.0014 C 0 0 0
- -3.7064 1.5953 0.0012 C 0 0 0
- -2.1096 -2.3623 -0.0034 C 0 0 0
- -4.0396 -0.7915 -0.0016 C 0 0 0
- 2.3960 -0.5253 -0.0034 C 0 0 0
- 2.7974 1.8768 0.0012 C 0 0 0
- 2.0837 -3.0221 0.0047 C 0 0 0
- -4.5414 0.4974 -0.0001 C 0 0 0
- 3.7902 -0.7314 -0.0035 C 0 0 0
- 4.1395 1.6389 0.0010 C 0 0 0
- 4.6330 0.3365 -0.0014 C 0 0 0
- 0.5551 3.1667 0.0000 H 0 0 0
- -0.3987 -3.5581 0.0000 H 0 0 0
- -1.8202 3.5016 0.0000 H 0 0 0
- -4.1146 2.5677 0.0000 H 0 0 0
- -2.7649 -3.1887 0.0000 H 0 0 0
- -4.7012 -1.6128 0.0000 H 0 0 0
- 2.4363 2.8677 0.0000 H 0 0 0
- 1.1052 -3.4154 0.0000 H 0 0 0
- 2.4770 -4.0006 0.0000 H 0 0 0
- 3.0622 -2.6288 0.0000 H 0 0 0
- -5.5858 0.6440 0.0000 H 0 0 0
- 4.1794 -1.7116 0.0000 H 0 0 0
- 4.8125 2.4509 0.0000 H 0 0 0
- 5.6753 0.1758 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 18 2 0
- 20 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-33-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.0778 -0.3411 -0.0030 C 0 0 0
- -0.1639 -0.9439 -0.0030 C 0 0 0
- 1.1782 1.0501 -0.0007 C 0 0 0
- 2.2038 -1.1039 0.0004 O 0 0 0
- -1.3210 -0.1552 -0.0006 C 0 0 0
- 0.0309 1.8334 0.0017 C 0 0 0
- 2.4006 1.6404 -0.0002 O 0 0 0
- 1.7785 -2.4681 0.0034 C 0 0 0
- -1.2118 1.2407 0.0018 C 0 0 0
- -2.6452 -0.7902 -0.0011 C 0 0 0
- -3.6463 -0.1053 0.0010 O 0 0 0
- -0.2401 -1.9830 0.0000 H 0 0 0
- 0.1111 2.8722 0.0000 H 0 0 0
- 3.3388 2.0935 0.0000 H 0 0 0
- 0.7838 -2.1580 0.0000 H 0 0 0
- 1.4684 -3.4628 0.0000 H 0 0 0
- 2.7732 -2.7782 0.0000 H 0 0 0
- -2.0706 1.8306 0.0000 H 0 0 0
- -2.7248 -1.8291 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 6 9 2 0
- 2 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-26446-35-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 1.3362 -0.1283 -0.2604 C 0 0 0
- 0.0035 0.5620 0.0367 C 0 0 0
- 2.4867 0.8379 0.0290 C 0 0 0
- 1.4675 -1.2865 0.5663 O 0 0 0
- -1.0883 -0.3550 -0.2380 O 0 0 0
- 3.7314 0.1932 -0.2485 O 0 0 0
- -2.3579 0.0370 -0.0478 C 0 0 0
- -3.4911 -0.9148 -0.3328 C 0 0 0
- -2.5922 1.1528 0.3520 O 0 0 0
- 0.4628 -0.7295 0.0000 H 0 0 0
- 0.6104 1.4315 0.0000 H 0 0 0
- -0.7790 1.2776 0.0000 H 0 0 0
- 3.0936 1.7074 0.0000 H 0 0 0
- 1.7043 1.5535 0.0000 H 0 0 0
- 1.5869 -2.3401 0.0000 H 0 0 0
- 4.6729 -0.2945 0.0000 H 0 0 0
- -4.1731 -0.1029 0.0000 H 0 0 0
- -4.3030 -1.5968 0.0000 H 0 0 0
- -2.8091 -1.7267 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 7 9 2 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22248-79-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.3437 -0.6212 0.2866 C 0 0 0
- -1.1064 -0.8105 0.5126 C 0 0 0
- 1.0472 -1.5082 -0.5307 C 0 0 0
- 1.0117 0.4470 0.8846 C 0 0 0
- -1.9912 -0.5318 -0.4811 O 0 0 0
- -1.5448 -1.2540 1.6898 C 0 0 0
- 2.4001 -1.3267 -0.7379 C 0 0 0
- 0.2224 -2.8369 -1.2845 Cl 0 0 0
- 2.3650 0.6187 0.6703 C 0 0 0
- -2.2017 1.0644 -0.4826 P 0 0 0
- -3.2286 -1.6151 1.9090 Cl 0 0 0
- 3.0592 -0.2679 -0.1371 C 0 0 0
- 3.1981 1.9482 1.4134 Cl 0 0 0
- -1.0083 1.7623 -1.3078 O 0 0 0
- -3.6115 1.4191 -1.1744 O 0 0 0
- -2.1962 1.5641 0.9105 O 0 0 0
- 4.7604 -0.0459 -0.4022 Cl 0 0 0
- -0.9246 1.0864 -2.5641 C 0 0 0
- -3.8582 2.8040 -0.9227 C 0 0 0
- 0.4600 1.3094 0.0000 H 0 0 0
- -1.0529 -2.1518 0.0000 H 0 0 0
- 2.9557 -2.1866 0.0000 H 0 0 0
- -1.9406 0.9606 0.0000 H 0 0 0
- -0.7988 0.0704 0.0000 H 0 0 0
- 0.0914 1.2122 0.0000 H 0 0 0
- -2.8503 2.9835 0.0000 H 0 0 0
- -4.0377 3.8119 0.0000 H 0 0 0
- -4.8661 2.6245 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 10 15 1 0
- 10 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 9 12 2 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 18 23 1 0
- 18 24 1 0
- 18 25 1 0
- 19 26 1 0
- 19 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-39-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.7043 0.2446 -0.4192 C 0 0 0
- -0.6733 0.5833 -0.8055 C 0 0 0
- 1.1116 -1.0929 -0.3674 C 0 0 0
- 1.6168 1.2587 -0.1068 C 0 0 0
- -1.7061 0.2373 -0.0019 C 0 0 0
- 2.4054 -1.4020 -0.0045 C 0 0 0
- 2.9066 0.9328 0.2541 C 0 0 0
- -2.9693 -0.0478 -0.5604 C 0 0 0
- -1.5061 0.1567 1.4896 C 0 0 0
- 3.3002 -0.3935 0.3080 C 0 0 0
- -3.8959 -0.3582 0.1606 O 0 0 0
- -0.7143 1.5802 0.0000 H 0 0 0
- 0.4280 -1.8196 0.0000 H 0 0 0
- 1.3264 2.2133 0.0000 H 0 0 0
- 2.7053 -2.3536 0.0000 H 0 0 0
- 3.5975 1.6526 0.0000 H 0 0 0
- -3.2379 0.9131 0.0000 H 0 0 0
- -1.8790 -0.7687 0.0000 H 0 0 0
- -0.5807 -0.2162 0.0000 H 0 0 0
- -1.1332 1.0821 0.0000 H 0 0 0
- 4.2742 -0.6099 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 2 0
- 7 10 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-483-65-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -4.5377 -1.5107 -0.0002 C 0 0 0
- -3.6004 -0.3306 0.0012 C 0 0 0
- -2.2135 -0.5339 0.0007 C 0 0 0
- -4.0987 0.9395 -0.0028 C 0 0 0
- -1.3534 0.5876 0.0015 C 0 0 0
- -1.6685 -1.8391 0.0000 C 0 0 0
- -3.2496 2.0394 -0.0020 C 0 0 0
- 0.0953 0.3639 0.0009 C 0 0 0
- -1.8935 1.8746 0.0024 C 0 0 0
- -0.3360 -2.0446 -0.0001 C 0 0 0
- 0.5771 -0.9644 -0.0004 C 0 0 0
- 0.9986 1.4285 0.0011 C 0 0 0
- 1.9611 -1.1888 -0.0010 C 0 0 0
- 2.3410 1.1768 0.0000 C 0 0 0
- 2.8190 -0.1284 -0.0004 C 0 0 0
- 4.3056 -0.3753 -0.0005 C 0 0 0
- 4.9269 0.2535 -1.2494 C 0 0 0
- 4.9269 0.2520 1.2490 C 0 0 0
- -5.3575 -0.8595 0.0000 H 0 0 0
- -5.1889 -2.3305 0.0000 H 0 0 0
- -3.7179 -2.1619 0.0000 H 0 0 0
- -5.1352 1.0874 0.0000 H 0 0 0
- -2.3138 -2.6635 0.0000 H 0 0 0
- -3.6537 3.0053 0.0000 H 0 0 0
- -1.2622 2.7098 0.0000 H 0 0 0
- 0.0309 -3.0252 0.0000 H 0 0 0
- 0.6485 2.4152 0.0000 H 0 0 0
- 2.3347 -2.1668 0.0000 H 0 0 0
- 3.0175 1.9758 0.0000 H 0 0 0
- 4.6278 -1.3715 0.0000 H 0 0 0
- 5.6716 -0.4824 0.0000 H 0 0 0
- 5.6628 0.9982 0.0000 H 0 0 0
- 4.1822 0.9894 0.0000 H 0 0 0
- 5.6708 -0.4848 0.0000 H 0 0 0
- 5.6637 0.9959 0.0000 H 0 0 0
- 4.1830 0.9888 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 1 0
- 9 5 2 0
- 10 6 2 0
- 11 8 2 0
- 12 8 1 0
- 13 11 1 0
- 14 12 2 0
- 15 13 2 0
- 16 15 1 0
- 17 16 1 0
- 18 16 1 0
- 7 9 1 0
- 10 11 1 0
- 14 15 1 0
- 1 19 1 0
- 1 20 1 0
- 1 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6099-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 19 1 V2000
- -3.5883 1.3324 0.1765 C 0 0 0
- -4.3959 0.3045 0.6388 C 0 0 0
- -2.4049 1.0404 -0.4853 C 0 0 0
- -3.9590 2.6258 0.3670 O 0 0 0
- -4.0203 -1.0157 0.4394 C 0 0 0
- -2.0295 -0.2794 -0.6847 C 0 0 0
- -2.8373 -1.3076 -0.2223 C 0 0 0
- -4.8116 -2.0232 0.8929 O 0 0 0
- -0.8700 -0.5655 -1.3331 O 0 0 0
- 7.7530 -0.2193 -0.3740 O 0 0 0
- 16.3568 0.1262 0.5506 O 0 0 0
- -5.3578 0.4939 0.0000 H 0 0 0
- -1.7240 1.7457 0.0000 H 0 0 0
- -4.2291 3.5683 0.0000 H 0 0 0
- -2.5182 -2.2346 0.0000 H 0 0 0
- -5.4172 -2.7942 0.0000 H 0 0 0
- 0.0819 -0.8004 0.0000 H 0 0 0
- 6.7726 -0.2193 0.0000 H 0 0 0
- 8.7334 -0.2193 0.0000 H 0 0 0
- 15.3764 0.1262 0.0000 H 0 0 0
- 17.3372 0.1262 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2846-29-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 79 1 V2000
- 1.2892 -0.5958 -0.3071 C 0 0 1
- 0.0137 -1.0647 0.3693 C 0 0 1
- 1.9679 0.4105 0.6326 C 0 0 1
- 2.2356 -1.7857 -0.4988 C 0 0 1
- -0.9168 0.1715 0.4933 C 0 0 1
- -0.8555 -2.0269 -0.4475 C 0 0 0
- 3.2473 0.9427 0.0097 C 0 0 2
- 1.0416 1.5724 0.9815 C 0 0 0
- 3.5555 -1.2886 -1.0125 C 0 0 0
- 2.4300 -2.4463 0.7533 O 0 0 0
- -2.2690 -0.4427 0.8416 C 0 0 2
- -0.3032 1.0817 1.5400 C 0 0 0
- -1.0038 0.8966 -0.8512 C 0 0 0
- -2.2620 -1.8465 0.1865 C 0 0 0
- 3.9971 -0.0870 -0.7822 C 0 0 0
- 4.1629 1.5128 1.0970 C 0 0 0
- 2.8781 2.0916 -0.9308 C 0 0 0
- 2.6763 -3.8629 0.4523 O 0 0 0
- -3.3865 0.4017 0.2261 C 0 0 1
- 5.3545 0.3008 -1.3446 C 0 0 0
- 5.4494 2.0344 0.4537 C 0 0 0
- -4.7016 -0.3787 0.2753 C 0 0 0
- -3.5361 1.7035 1.0160 C 0 0 0
- 6.2018 0.8780 -0.2068 C 0 0 2
- -5.8191 0.4657 -0.3402 C 0 0 0
- 7.4425 1.3549 -0.7314 O 0 0 0
- -7.1342 -0.3147 -0.2909 C 0 0 0
- -8.2517 0.5298 -0.9065 C 0 0 0
- -9.5668 -0.2507 -0.8572 C 0 0 0
- -8.4013 1.8315 -0.1166 C 0 0 0
- 0.6469 0.2236 0.0000 H 0 0 0
- 0.5966 -1.9274 0.0000 H 0 0 0
- 2.6273 -0.3953 0.0000 H 0 0 0
- 1.3116 -2.2656 0.0000 H 0 0 0
- -1.1928 -3.0119 0.0000 H 0 0 0
- 0.0416 -2.5553 0.0000 H 0 0 0
- 1.9208 2.1301 0.0000 H 0 0 0
- 0.5816 2.5064 0.0000 H 0 0 0
- 4.2947 -2.0219 0.0000 H 0 0 0
- -3.1999 -0.9090 0.0000 H 0 0 0
- -0.3402 2.1222 0.0000 H 0 0 0
- -1.3042 1.3682 0.0000 H 0 0 0
- 0.0299 1.0206 0.0000 H 0 0 0
- -1.1278 1.9303 0.0000 H 0 0 0
- -2.0375 0.7726 0.0000 H 0 0 0
- -3.3024 -1.8057 0.0000 H 0 0 0
- -2.3487 -2.8840 0.0000 H 0 0 0
- 4.2473 2.5505 0.0000 H 0 0 0
- 3.2739 2.0548 0.0000 H 0 0 0
- 3.8693 2.4101 0.0000 H 0 0 0
- 2.5596 3.0828 0.0000 H 0 0 0
- 1.8869 1.7731 0.0000 H 0 0 0
- 2.8546 -4.8887 0.0000 H 0 0 0
- -2.4825 0.9182 0.0000 H 0 0 0
- 5.2105 -0.7304 0.0000 H 0 0 0
- 6.2390 -0.2485 0.0000 H 0 0 0
- 6.3566 2.5453 0.0000 H 0 0 0
- 4.9974 2.9723 0.0000 H 0 0 0
- -5.4312 -1.1215 0.0000 H 0 0 0
- -4.0592 -1.1980 0.0000 H 0 0 0
- -2.5017 1.8224 0.0000 H 0 0 0
- -3.6550 2.7379 0.0000 H 0 0 0
- -4.5705 1.5846 0.0000 H 0 0 0
- 6.6849 -0.0443 0.0000 H 0 0 0
- -5.0895 1.2085 0.0000 H 0 0 0
- -6.4615 1.2850 0.0000 H 0 0 0
- 8.4143 1.7285 0.0000 H 0 0 0
- -7.8638 -1.0574 0.0000 H 0 0 0
- -6.4918 -1.1341 0.0000 H 0 0 0
- -7.3477 1.0463 0.0000 H 0 0 0
- -10.0982 0.6447 0.0000 H 0 0 0
- -10.4622 -0.7821 0.0000 H 0 0 0
- -9.0354 -1.1461 0.0000 H 0 0 0
- -7.3669 1.9504 0.0000 H 0 0 0
- -8.5202 2.8659 0.0000 H 0 0 0
- -9.4357 1.7126 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 10 18 1 0
- 11 19 1 0
- 15 20 1 0
- 16 21 1 0
- 19 22 1 0
- 19 23 1 0
- 20 24 1 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 28 29 1 0
- 28 30 1 0
- 8 12 1 0
- 9 15 2 0
- 11 14 1 0
- 21 24 1 0
- 1 31 1 0
- 2 32 1 0
- 3 33 1 0
- 4 34 1 0
- 6 35 1 0
- 6 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 23 63 1 0
- 24 64 1 0
- 25 65 1 0
- 25 66 1 0
- 26 67 1 0
- 27 68 1 0
- 27 69 1 0
- 28 70 1 0
- 29 71 1 0
- 29 72 1 0
- 29 73 1 0
- 30 74 1 0
- 30 75 1 0
- 30 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-843-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -4.1245 -2.7495 0.0222 O 0 0 0
- -3.1142 -1.8405 0.0152 C 0 0 0
- -2.5954 -1.3692 1.2122 C 0 0 0
- -2.5961 -1.3867 -1.1893 C 0 0 0
- -1.5684 -0.4451 1.2024 C 0 0 0
- -1.5694 -0.4628 -1.1938 C 0 0 0
- -1.0578 0.0099 0.0009 C 0 0 0
- 0.0625 1.0179 -0.0069 C 0 0 0
- -0.0428 1.8877 -1.2611 C 0 0 0
- -0.0389 1.9026 1.2373 C 0 0 0
- 1.3862 0.2977 -0.0046 C 0 0 0
- -1.3868 2.6188 -1.2634 C 0 0 0
- -1.3829 2.6337 1.2350 C 0 0 0
- 2.5639 1.0187 0.0614 C 0 0 0
- 1.4207 -1.0835 -0.0628 C 0 0 0
- -1.4882 3.5035 -0.0193 C 0 0 0
- 3.7789 0.3607 0.0641 C 0 0 0
- 2.6327 -1.7460 -0.0605 C 0 0 0
- 3.8163 -1.0244 0.0004 C 0 0 0
- 5.0101 -1.6738 0.0025 O 0 0 0
- -4.8945 -3.4423 0.0000 H 0 0 0
- -3.2900 -0.6009 0.0000 H 0 0 0
- -1.9084 -2.1613 0.0000 H 0 0 0
- -2.2594 0.3265 0.0000 H 0 0 0
- -0.8715 -1.2282 0.0000 H 0 0 0
- 0.9892 1.7990 0.0000 H 0 0 0
- 0.2553 2.8796 0.0000 H 0 0 0
- 0.9927 1.8095 0.0000 H 0 0 0
- 0.2613 2.8939 0.0000 H 0 0 0
- -2.4184 2.7119 0.0000 H 0 0 0
- -1.6870 1.6275 0.0000 H 0 0 0
- -2.4149 2.7224 0.0000 H 0 0 0
- -1.6810 1.6418 0.0000 H 0 0 0
- 2.5365 2.0541 0.0000 H 0 0 0
- 0.5365 -1.6229 0.0000 H 0 0 0
- -0.6586 4.1237 0.0000 H 0 0 0
- -2.4392 3.9139 0.0000 H 0 0 0
- 4.6615 0.9027 0.0000 H 0 0 0
- 2.6572 -2.7815 0.0000 H 0 0 0
- 5.9200 -2.1687 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 7 1 0
- 9 8 1 0
- 10 8 1 0
- 11 8 1 0
- 12 9 1 0
- 13 10 1 0
- 14 11 2 0
- 15 11 1 0
- 16 12 1 0
- 17 14 1 0
- 18 15 2 0
- 19 17 2 0
- 20 19 1 0
- 6 7 1 0
- 13 16 1 0
- 18 19 1 0
- 1 21 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 18 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.0070 -0.1631 -0.1823 C 0 0 0
- -1.3950 0.1702 -0.5256 C 0 0 0
- 0.9951 0.7272 -0.4330 C 0 0 0
- 0.2989 -1.3548 0.3870 O 0 0 0
- -2.3643 0.4532 0.5400 C 0 0 0
- -1.7428 0.2093 -1.6899 O 0 0 0
- 2.3535 0.4705 0.0533 C 0 0 0
- -0.0082 -2.3609 -0.5803 C 0 0 0
- -1.9770 0.2554 1.9829 C 0 0 0
- -3.5880 0.8854 0.2311 C 0 0 0
- 3.3325 1.3697 -0.1746 O 0 0 0
- 2.5978 -0.5529 0.6623 O 0 0 0
- 0.7467 1.6132 0.0000 H 0 0 0
- -0.8883 -2.0923 0.0000 H 0 0 0
- -0.2768 -3.2410 0.0000 H 0 0 0
- 0.8719 -2.6295 0.0000 H 0 0 0
- -2.3955 -0.5641 0.0000 H 0 0 0
- -1.1575 -0.1631 0.0000 H 0 0 0
- -1.5585 1.0749 0.0000 H 0 0 0
- -3.7564 1.7900 0.0000 H 0 0 0
- -4.2872 0.2872 0.0000 H 0 0 0
- 4.0102 1.9922 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 12 2 0
- 3 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-513-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 1.0896 -0.7136 -0.1024 C 0 0 0
- -0.1079 0.0801 -0.5574 C 0 0 0
- 2.4104 -0.0233 0.1213 C 0 0 0
- 0.9896 -1.9020 0.0877 O 0 0 0
- -1.6123 -0.6859 0.0756 Cl 0 0 0
- 0.0164 1.7668 0.0672 Cl 0 0 0
- -1.0387 0.6989 0.0000 H 0 0 0
- 2.9281 -1.0139 0.0000 H 0 0 0
- 3.4010 0.4944 0.0000 H 0 0 0
- 1.8927 0.9673 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92072-10-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.6940 0.7615 0.0275 C 0 0 0
- -0.0372 -0.4888 0.0149 C 0 0 0
- 0.0460 1.9646 0.0315 C 0 0 0
- -2.1072 0.8098 0.0303 C 0 0 0
- 1.3777 -0.5367 0.0061 C 0 0 0
- -0.8053 -1.6759 0.0109 C 0 0 0
- 1.4610 1.9167 0.0229 C 0 0 0
- -0.6390 3.2011 0.0437 C 0 0 0
- -2.8397 -0.3901 0.0211 C 0 0 0
- -2.7563 2.0571 0.0427 C 0 0 0
- 2.1177 0.6665 0.0101 C 0 0 0
- 2.0635 -1.7728 -0.0073 C 0 0 0
- -2.1790 -1.6124 0.0191 C 0 0 0
- 2.2283 3.1043 0.0264 C 0 0 0
- -2.0143 3.2313 0.0515 C 0 0 0
- -4.3196 -0.3512 0.0244 N 0 3 0
- 3.5310 0.6191 0.0009 C 0 0 0
- 3.4388 -1.8023 -0.0167 C 0 0 0
- 1.2988 -3.0402 -0.0117 N 0 3 0
- 3.6021 3.0414 0.0175 C 0 0 0
- -4.9458 -1.0622 0.7899 O 0 0 0
- -5.0072 0.5126 -0.8622 O 0 5 0
- 4.1806 -0.6280 -0.0119 C 0 0 0
- 4.2630 1.8192 0.0050 C 0 0 0
- 1.0218 -3.5880 1.0403 O 0 0 0
- 0.8892 -3.6158 -1.2389 O 0 5 0
- -0.3228 -2.6137 0.0000 H 0 0 0
- -0.0937 4.1038 0.0000 H 0 0 0
- -3.8100 2.1012 0.0000 H 0 0 0
- -2.7398 -2.5055 0.0000 H 0 0 0
- 1.7453 4.0418 0.0000 H 0 0 0
- -2.5131 4.1605 0.0000 H 0 0 0
- 3.9379 -2.7313 0.0000 H 0 0 0
- 4.1627 3.9347 0.0000 H 0 0 0
- 5.2343 -0.6718 0.0000 H 0 0 0
- 5.3172 1.7918 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 16 22 1 0
- 17 23 1 0
- 17 24 2 0
- 19 25 2 0
- 19 26 1 0
- 7 11 2 0
- 9 13 1 0
- 10 15 2 0
- 18 23 2 0
- 20 24 1 0
- 6 27 1 0
- 8 28 1 0
- 10 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 18 33 1 0
- 20 34 1 0
- 23 35 1 0
- 24 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64314-52-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 68 1 V2000
- 0.0926 -0.6107 0.1564 C 0 0 0
- -0.5127 -1.6974 0.7350 C 0 0 0
- 1.5825 -0.5296 -0.0566 C 0 0 2
- -0.6789 0.4794 -0.2687 C 0 0 0
- -1.9044 -1.7217 0.8989 C 0 0 0
- 0.2637 -2.8936 1.2231 C 0 0 0
- 2.3083 -1.5475 0.8201 C 0 0 0
- 2.0346 0.7848 0.2750 O 0 0 0
- -2.0636 0.4705 -0.1132 C 0 0 0
- -0.0728 1.5518 -0.8355 O 0 0 0
- -2.6857 -0.6457 0.4821 C 0 0 0
- -2.4956 -2.8012 1.4683 O 0 0 0
- 1.6591 -2.9197 0.6038 C 0 0 2
- 2.9797 1.1619 -0.7284 C 0 0 1
- -2.8743 1.6160 -0.5608 C 0 0 0
- -4.1483 -0.6702 0.6550 C 0 0 0
- 1.5544 -3.2049 -0.8723 C 0 0 0
- 2.4472 -3.9310 1.2348 O 0 0 0
- 2.9880 2.6853 -0.8746 C 0 0 0
- 4.2781 0.7054 -0.3540 O 0 0 0
- -4.3423 1.5904 -0.3911 C 0 0 0
- -2.3368 2.5807 -1.0693 O 0 0 0
- -4.9623 0.4796 0.2076 C 0 0 0
- -4.6852 -1.6348 1.1644 O 0 0 0
- 2.7267 -3.7983 -1.6101 C 0 0 0
- 0.5309 -2.9580 -1.4638 O 0 0 0
- 3.3548 3.3144 0.4743 C 0 0 1
- 4.5357 1.1739 0.9683 C 0 0 2
- -5.1163 2.6679 -0.8128 C 0 0 0
- -6.3452 0.4653 0.3670 C 0 0 0
- 2.3840 -3.9740 -2.9862 O 0 0 0
- 4.6713 2.6982 0.9610 C 0 0 1
- 3.5246 4.7641 0.3084 N 0 0 0
- 5.8323 0.5490 1.4872 C 0 0 0
- -6.4897 2.6358 -0.6499 C 0 0 0
- -7.0991 1.5459 -0.0547 C 0 0 0
- 5.7297 3.0780 0.0791 O 0 0 0
- 2.5695 -0.3864 0.0000 H 0 0 0
- -0.6634 -3.2613 0.0000 H 0 0 0
- 0.4417 -3.8749 0.0000 H 0 0 0
- 3.1248 -2.1202 0.0000 H 0 0 0
- 3.0108 -0.8396 0.0000 H 0 0 0
- 0.4179 2.4200 0.0000 H 0 0 0
- -2.9746 -3.6759 0.0000 H 0 0 0
- 3.0004 0.1648 0.0000 H 0 0 0
- 3.0602 -4.7176 0.0000 H 0 0 0
- 2.3505 3.4523 0.0000 H 0 0 0
- 2.0491 2.3489 0.0000 H 0 0 0
- 3.3563 -4.5717 0.0000 H 0 0 0
- 3.3523 -3.0216 0.0000 H 0 0 0
- 2.4088 3.6302 0.0000 H 0 0 0
- 3.5817 1.4645 0.0000 H 0 0 0
- -4.6715 3.5605 0.0000 H 0 0 0
- -6.8019 -0.4213 0.0000 H 0 0 0
- 1.4965 -4.4290 0.0000 H 0 0 0
- 4.7178 3.6944 0.0000 H 0 0 0
- 4.4404 5.1589 0.0000 H 0 0 0
- 2.7248 5.3598 0.0000 H 0 0 0
- 5.3993 -0.3494 0.0000 H 0 0 0
- 6.7307 0.1160 0.0000 H 0 0 0
- 6.2653 1.4474 0.0000 H 0 0 0
- -7.0043 3.4901 0.0000 H 0 0 0
- -8.0952 1.4964 0.0000 H 0 0 0
- 6.6684 3.4148 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 16 24 2 0
- 17 25 1 0
- 17 26 2 0
- 19 27 1 0
- 20 28 1 0
- 21 29 1 0
- 23 30 1 0
- 25 31 1 0
- 27 32 1 0
- 27 33 1 0
- 28 34 1 0
- 29 35 2 0
- 30 36 2 0
- 32 37 1 0
- 7 13 1 0
- 9 11 2 0
- 21 23 2 0
- 28 32 1 0
- 35 36 1 0
- 3 38 1 0
- 6 39 1 0
- 6 40 1 0
- 7 41 1 0
- 7 42 1 0
- 10 43 1 0
- 12 44 1 0
- 14 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 25 49 1 0
- 25 50 1 0
- 27 51 1 0
- 28 52 1 0
- 29 53 1 0
- 30 54 1 0
- 31 55 1 0
- 32 56 1 0
- 33 57 1 0
- 33 58 1 0
- 34 59 1 0
- 34 60 1 0
- 34 61 1 0
- 35 62 1 0
- 36 63 1 0
- 37 64 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4074-88-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 3.7379 0.4630 -0.0581 C 0 0 0
- 2.7052 -0.3789 0.1460 O 0 0 0
- 4.2221 1.3117 1.0395 C 0 0 0
- 4.2717 0.5167 -1.1486 O 0 0 0
- 2.2268 -1.2175 -0.9385 C 0 0 0
- 5.2416 2.1429 0.8379 C 0 0 0
- 1.0571 -2.0714 -0.4451 C 0 0 0
- -0.0001 -1.2194 0.0003 O 0 0 0
- -1.0572 -2.0713 0.4463 C 0 0 0
- -2.2270 -1.2173 0.9392 C 0 0 0
- -2.7056 -0.3796 -0.1460 O 0 0 0
- -3.7385 0.4623 0.0576 C 0 0 0
- -4.2229 1.3100 -1.0407 C 0 0 0
- -4.2691 0.5202 1.1494 O 0 0 0
- -5.2426 2.1412 -0.8397 C 0 0 0
- 3.4692 1.9493 0.0000 H 0 0 0
- 2.4686 -2.1740 0.0000 H 0 0 0
- 3.2044 -1.3507 0.0000 H 0 0 0
- 6.1638 1.7924 0.0000 H 0 0 0
- 5.0840 3.1168 0.0000 H 0 0 0
- 0.3734 -2.7827 0.0000 H 0 0 0
- 1.7061 -2.8145 0.0000 H 0 0 0
- -1.7062 -2.8144 0.0000 H 0 0 0
- -0.3735 -2.7826 0.0000 H 0 0 0
- -3.2045 -1.3509 0.0000 H 0 0 0
- -2.4686 -2.1739 0.0000 H 0 0 0
- -3.4702 1.9479 0.0000 H 0 0 0
- -5.0851 3.1152 0.0000 H 0 0 0
- -6.1648 1.7906 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13048-33-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 33 1 V2000
- 5.5352 -0.0583 -0.0009 C 0 0 0
- 4.3000 0.4815 -0.0002 O 0 0 0
- 6.7180 0.8136 -0.0001 C 0 0 0
- 5.6705 -1.2661 0.0027 O 0 0 0
- 3.1312 -0.3800 -0.0011 C 0 0 0
- 7.9375 0.2807 -0.0008 C 0 0 0
- 1.8648 0.4785 0.0000 C 0 0 0
- 0.6332 -0.4293 -0.0009 C 0 0 0
- -0.6332 0.4293 0.0002 C 0 0 0
- -1.8648 -0.4785 -0.0008 C 0 0 0
- -3.1312 0.3800 0.0003 C 0 0 0
- -4.3000 -0.4815 -0.0006 O 0 0 0
- -5.5352 0.0583 0.0002 C 0 0 0
- -6.7180 -0.8136 -0.0007 C 0 0 0
- -5.6705 1.2661 0.0015 O 0 0 0
- -7.9375 -0.2807 0.0000 C 0 0 0
- 6.5967 1.8958 0.0000 H 0 0 0
- 2.4222 -1.2065 0.0000 H 0 0 0
- 3.8723 -1.1779 0.0000 H 0 0 0
- 8.0588 -0.8015 0.0000 H 0 0 0
- 8.8141 0.9269 0.0000 H 0 0 0
- 2.5738 1.3050 0.0000 H 0 0 0
- 1.1237 1.2764 0.0000 H 0 0 0
- -0.0759 -1.2558 0.0000 H 0 0 0
- 1.3743 -1.2272 0.0000 H 0 0 0
- 0.0759 1.2558 0.0000 H 0 0 0
- -1.3743 1.2272 0.0000 H 0 0 0
- -2.5738 -1.3050 0.0000 H 0 0 0
- -1.1237 -1.2764 0.0000 H 0 0 0
- -2.4222 1.2065 0.0000 H 0 0 0
- -3.8723 1.1779 0.0000 H 0 0 0
- -6.5967 -1.8958 0.0000 H 0 0 0
- -8.0588 0.8015 0.0000 H 0 0 0
- -8.8141 -0.9269 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 2 0
- 3 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 14 32 1 0
- 16 33 1 0
- 16 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-191-24-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- 0.7053 -0.8693 -0.0023 C 0 0 0
- -0.7053 -0.8693 -0.0019 C 0 0 0
- 1.4216 0.3469 -0.0016 C 0 0 0
- 1.4043 -2.0948 0.0025 C 0 0 0
- -1.4216 0.3469 -0.0008 C 0 0 0
- -1.4043 -2.0947 -0.0022 C 0 0 0
- 0.7366 1.5817 -0.0005 C 0 0 0
- 2.8343 0.3209 -0.0015 C 0 0 0
- 0.6796 -3.3001 0.0076 C 0 0 0
- 2.8175 -2.0870 0.0026 C 0 0 0
- -0.7365 1.5817 -0.0001 C 0 0 0
- -2.8343 0.3209 0.0000 C 0 0 0
- -0.6797 -3.3001 -0.0028 C 0 0 0
- -2.8175 -2.0870 -0.0013 C 0 0 0
- 1.4658 2.7635 0.0007 C 0 0 0
- 3.5075 -0.9227 -0.0025 C 0 0 0
- 3.5360 1.5326 -0.0007 C 0 0 0
- -1.4657 2.7636 0.0014 C 0 0 0
- -3.5075 -0.9227 -0.0007 C 0 0 0
- -3.5360 1.5326 0.0011 C 0 0 0
- 2.8512 2.7282 0.0007 C 0 0 0
- -2.8512 2.7282 0.0023 C 0 0 0
- 1.2004 -4.2210 0.0000 H 0 0 0
- 3.3438 -3.0048 0.0000 H 0 0 0
- -1.2006 -4.2209 0.0000 H 0 0 0
- -3.3438 -3.0048 0.0000 H 0 0 0
- 0.9621 3.6938 0.0000 H 0 0 0
- 4.5653 -0.9432 0.0000 H 0 0 0
- 4.5939 1.5301 0.0000 H 0 0 0
- -0.9620 3.6939 0.0000 H 0 0 0
- -4.5653 -0.9432 0.0000 H 0 0 0
- -4.5939 1.5301 0.0000 H 0 0 0
- 3.3934 3.6367 0.0000 H 0 0 0
- -3.3934 3.6366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 11 18 1 0
- 12 19 1 0
- 12 20 2 0
- 15 21 2 0
- 18 22 2 0
- 7 11 2 0
- 9 13 1 0
- 10 16 2 0
- 14 19 2 0
- 17 21 1 0
- 20 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141-46-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.5918 -0.6248 -0.0757 C 0 0 0
- -0.6474 0.0412 0.4644 C 0 0 0
- 1.6758 0.3062 -0.0657 O 0 0 0
- -1.6340 0.1318 -0.2261 O 0 0 0
- -0.0177 -1.4861 0.0000 H 0 0 0
- 1.3720 -1.3351 0.0000 H 0 0 0
- -0.3433 1.0515 0.0000 H 0 0 0
- 2.4762 0.9937 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6623-66-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.0336 0.0007 0.1118 C 0 0 0
- -1.2287 -0.7640 0.0888 C 0 0 0
- -0.0251 1.3954 0.2622 C 0 0 0
- 1.2657 -0.6337 -0.0177 C 0 0 0
- -2.4327 -0.0348 -0.0372 C 0 0 0
- -1.2683 -2.1476 0.1854 C 0 0 0
- -1.2260 2.0154 0.3926 O 0 0 0
- 1.1506 2.1300 0.2795 C 0 0 0
- 2.4253 0.1132 0.0038 C 0 0 0
- -2.3330 1.4338 -0.1326 C 0 0 0
- -3.6500 -0.7046 -0.0662 C 0 0 0
- -2.4869 -2.7969 0.1559 C 0 0 0
- 2.3670 1.4891 0.1529 C 0 0 0
- 3.7373 -0.5583 -0.1332 N 0 3 0
- -3.2063 2.0951 -0.6602 O 0 0 0
- -3.6683 -2.0815 0.0304 C 0 0 0
- 4.7627 0.0987 -0.1145 O 0 0 0
- 3.7915 -1.7680 -0.2647 O 0 5 0
- 1.3158 -1.6682 0.0000 H 0 0 0
- -0.3880 -2.6933 0.0000 H 0 0 0
- 1.1125 3.1650 0.0000 H 0 0 0
- -4.5381 -0.1716 0.0000 H 0 0 0
- -2.5153 -3.8322 0.0000 H 0 0 0
- 3.2422 2.0429 0.0000 H 0 0 0
- -4.5740 -2.5840 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 2 0
- 14 17 2 0
- 14 18 1 0
- 7 10 1 0
- 9 13 2 0
- 12 16 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68-12-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.5188 0.0014 -0.0018 N 0 0 0
- -0.6539 -0.6628 -0.0012 C 0 0 0
- 0.5309 1.4664 0.0003 C 0 0 0
- 1.7815 -0.7415 0.0015 C 0 0 0
- -1.6992 -0.0478 0.0011 O 0 0 0
- -0.6626 -1.7176 0.0000 H 0 0 0
- 1.5857 1.4577 0.0000 H 0 0 0
- 0.5396 2.5212 0.0000 H 0 0 0
- -0.5239 1.4751 0.0000 H 0 0 0
- 1.2466 -1.6506 0.0000 H 0 0 0
- 2.6906 -1.2764 0.0000 H 0 0 0
- 2.3164 0.1676 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101489-25-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- 1.6918 0.2746 0.1237 C 0 0 0
- 0.3481 0.0177 -0.1298 C 0 0 0
- 2.4509 1.5806 0.2396 C 0 0 1
- 2.6018 -0.7523 0.3172 C 0 0 0
- -0.0768 -1.3210 -0.1361 C 0 0 0
- -0.4654 1.0492 -0.3814 O 0 0 0
- 3.7834 1.1181 0.9007 C 0 0 1
- 2.8757 2.0338 -1.1726 C 0 0 0
- 3.8554 -0.2671 0.5282 O 0 0 0
- 2.1679 -2.0803 0.2703 C 0 0 0
- 0.8367 -2.3657 0.0406 C 0 0 0
- -1.5178 -1.5912 -0.3082 C 0 0 0
- -1.7701 0.8611 -0.1517 C 0 0 0
- 4.8097 1.8318 0.1786 O 0 0 0
- 4.4012 1.7956 -1.2056 C 0 0 0
- 0.4161 -3.6544 -0.0138 O 0 0 0
- -2.3771 -0.4015 -0.1185 C 0 0 0
- -1.9593 -2.6928 -0.5819 O 0 0 0
- -2.5788 1.9844 0.0663 C 0 0 0
- 1.5669 -4.4739 0.2013 C 0 0 0
- -3.7523 -0.5382 0.0919 C 0 0 0
- -3.9340 1.8418 0.2880 C 0 0 0
- -2.0235 3.2266 0.0599 O 0 0 0
- -4.5273 0.5906 0.2980 C 0 0 0
- -4.3243 -1.7696 0.0936 O 0 0 0
- -3.0826 4.1537 0.3067 C 0 0 0
- 1.6224 2.1972 0.0000 H 0 0 0
- 3.6426 2.1412 0.0000 H 0 0 0
- 3.2340 3.0024 0.0000 H 0 0 0
- 1.9972 2.5768 0.0000 H 0 0 0
- 2.8590 -2.8478 0.0000 H 0 0 0
- 3.8203 0.9417 0.0000 H 0 0 0
- 4.9241 0.9050 0.0000 H 0 0 0
- 0.9678 -5.3152 0.0000 H 0 0 0
- 2.4082 -5.0730 0.0000 H 0 0 0
- 2.1660 -3.6326 0.0000 H 0 0 0
- -4.5311 2.6845 0.0000 H 0 0 0
- -5.5568 0.5086 0.0000 H 0 0 0
- -4.7594 -2.7063 0.0000 H 0 0 0
- -2.4024 4.9308 0.0000 H 0 0 0
- -3.8597 4.8339 0.0000 H 0 0 0
- -3.7628 3.3766 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 12 17 1 0
- 12 18 2 0
- 13 19 1 0
- 16 20 1 0
- 17 21 1 0
- 19 22 2 0
- 19 23 1 0
- 21 24 2 0
- 21 25 1 0
- 23 26 1 0
- 7 9 1 0
- 10 11 2 0
- 13 17 2 0
- 14 15 1 0
- 22 24 1 0
- 3 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 15 32 1 0
- 15 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
- 22 37 1 0
- 24 38 1 0
- 25 39 1 0
- 26 40 1 0
- 26 41 1 0
- 26 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6312-87-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.6962 0.0582 1.5704 O 0 0 0
- 0.4877 -0.0769 0.9627 C 0 0 0
- 2.6310 0.0833 0.5845 C 0 0 0
- -0.0268 -1.3414 0.7158 C 0 0 0
- -0.2336 1.0501 0.5948 C 0 0 0
- 3.0101 1.2911 0.0169 C 0 0 0
- 3.2123 -1.0988 0.1476 C 0 0 0
- -1.2546 -1.4793 0.0989 C 0 0 0
- -1.4611 0.9135 -0.0220 C 0 0 0
- 3.9610 1.3139 -0.9851 C 0 0 0
- 4.1625 -1.0704 -0.8544 C 0 0 0
- -1.9742 -0.3521 -0.2742 C 0 0 0
- 4.5347 0.1344 -1.4221 C 0 0 0
- -3.2198 -0.4914 -0.9000 N 0 0 0
- -4.3053 0.1183 -0.3836 C 0 0 0
- -5.6174 0.0747 -1.1236 C 0 0 0
- -4.2261 0.7021 0.6766 O 0 0 0
- 0.5424 -2.0931 0.0000 H 0 0 0
- 0.1725 1.9010 0.0000 H 0 0 0
- 2.4430 2.0444 0.0000 H 0 0 0
- 2.7260 -1.9066 0.0000 H 0 0 0
- -1.6608 -2.3302 0.0000 H 0 0 0
- -2.0304 1.6651 0.0000 H 0 0 0
- 4.4515 2.1192 0.0000 H 0 0 0
- 4.7335 -1.8207 0.0000 H 0 0 0
- 5.4748 0.2065 0.0000 H 0 0 0
- -3.4073 -1.4154 0.0000 H 0 0 0
- -5.6487 1.0171 0.0000 H 0 0 0
- -6.5598 0.0434 0.0000 H 0 0 0
- -5.5861 -0.8677 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 1 0
- 11 7 2 0
- 12 8 2 0
- 13 10 2 0
- 14 12 1 0
- 15 14 1 0
- 16 15 1 0
- 17 15 2 0
- 9 12 1 0
- 11 13 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87625-62-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 61 1 V2000
- 3.0244 -1.1390 -0.7134 C 0 0 0
- 2.8491 -0.8814 0.7853 C 0 0 1
- 4.3738 -0.8056 -1.3452 C 0 0 0
- 3.9640 -2.2657 -1.1390 C 0 0 0
- 1.7808 -0.9087 -1.5303 C 0 0 0
- 2.1121 0.4367 0.9794 C 0 0 2
- 2.0371 -2.0185 1.4087 C 0 0 0
- 4.1317 -0.8086 1.4111 O 0 0 0
- 0.7875 -0.2210 -1.0592 C 0 0 0
- 1.6892 -1.4867 -2.9190 C 0 0 0
- 0.7351 0.4113 0.2955 C 0 0 1
- 2.8613 1.5750 0.3222 C 0 0 0
- -0.2461 -0.2072 1.1302 O 0 0 0
- 0.4401 1.9249 0.1023 C 0 0 0
- 1.8207 2.5258 -0.2367 C 0 0 1
- 4.0603 1.7024 0.2558 O 0 0 0
- -1.4572 -0.2610 0.3737 C 0 0 2
- 1.9623 3.8912 0.4389 C 0 0 0
- -2.2141 0.9260 0.6030 O 0 0 0
- -2.2709 -1.4850 0.7998 C 0 0 1
- -3.3163 0.9167 -0.3023 C 0 0 1
- -3.5495 -1.5528 -0.0430 C 0 0 2
- -1.4978 -2.6681 0.5884 O 0 0 0
- -4.2821 -0.2110 0.0685 C 0 0 2
- -4.0473 2.2588 -0.2296 C 0 0 0
- -4.3907 -2.5972 0.4508 O 0 0 0
- -5.3945 -0.1996 -0.8285 O 0 0 0
- -3.2172 3.2837 -0.7796 O 0 0 0
- 5.3980 -0.9101 0.0000 H 0 0 0
- 4.3015 0.2214 0.0000 H 0 0 0
- 3.3206 -3.0695 0.0000 H 0 0 0
- 4.8799 -2.7359 0.0000 H 0 0 0
- 1.6153 1.3384 0.0000 H 0 0 0
- 1.1993 -1.4202 0.0000 H 0 0 0
- 1.4388 -2.8563 0.0000 H 0 0 0
- 2.8749 -2.6168 0.0000 H 0 0 0
- 5.1596 -0.7503 0.0000 H 0 0 0
- -0.1039 -0.7361 0.0000 H 0 0 0
- 0.6723 -1.3256 0.0000 H 0 0 0
- 1.5281 -2.5036 0.0000 H 0 0 0
- 2.7061 -1.6478 0.0000 H 0 0 0
- 0.0989 2.8962 0.0000 H 0 0 0
- -0.5535 1.6551 0.0000 H 0 0 0
- 2.7829 2.8919 0.0000 H 0 0 0
- -0.9508 -1.1574 0.0000 H 0 0 0
- 2.9864 3.7850 0.0000 H 0 0 0
- 2.0685 4.9153 0.0000 H 0 0 0
- 0.9382 3.9974 0.0000 H 0 0 0
- -2.7812 -0.5908 0.0000 H 0 0 0
- -2.8820 -0.0167 0.0000 H 0 0 0
- -3.0806 -2.4694 0.0000 H 0 0 0
- -0.9346 -3.5300 0.0000 H 0 0 0
- -4.7077 0.7265 0.0000 H 0 0 0
- -4.7563 3.0053 0.0000 H 0 0 0
- -4.8797 1.6529 0.0000 H 0 0 0
- -5.0365 -3.3990 0.0000 H 0 0 0
- -6.4240 -0.1890 0.0000 H 0 0 0
- -2.5692 4.0837 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 11 13 1 0
- 11 14 1 0
- 12 15 1 0
- 12 16 2 0
- 17 13 1 0
- 15 18 1 0
- 17 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 22 26 1 0
- 24 27 1 0
- 25 28 1 0
- 3 4 1 0
- 9 11 1 0
- 14 15 1 0
- 22 24 1 0
- 3 29 1 0
- 3 30 1 0
- 4 31 1 0
- 4 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 7 36 1 0
- 8 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 10 41 1 0
- 14 42 1 0
- 14 43 1 0
- 15 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 18 48 1 0
- 20 49 1 0
- 21 50 1 0
- 22 51 1 0
- 23 52 1 0
- 24 53 1 0
- 25 54 1 0
- 25 55 1 0
- 26 56 1 0
- 27 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7144-65-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 0.9568 -1.0596 0.0688 C 0 0 0
- -0.4295 -0.9248 -0.0513 C 0 0 0
- 1.8270 0.1413 0.0430 C 0 0 0
- 1.5167 -2.3263 0.2185 C 0 0 0
- -0.9849 0.3068 -0.1929 O 0 0 0
- -1.2351 -2.0521 -0.0257 C 0 0 0
- 2.8052 0.2753 -0.9409 C 0 0 0
- 1.6659 1.1423 0.9989 C 0 0 0
- 0.7023 -3.4401 0.2476 C 0 0 0
- -2.3976 0.1143 -0.2890 C 0 0 0
- -0.6689 -3.3044 0.1180 C 0 0 0
- 3.6117 1.3949 -0.9603 C 0 0 0
- 2.4783 2.2579 0.9698 C 0 0 0
- -3.0873 1.4703 -0.4511 C 0 0 0
- 3.4508 2.3832 -0.0056 C 0 0 0
- -4.5998 1.2642 -0.5540 C 0 0 0
- -3.9665 1.6926 0.6532 O 0 0 0
- 2.5456 -2.4374 0.0000 H 0 0 0
- -2.2650 -1.9509 0.0000 H 0 0 0
- 3.3384 -0.6116 0.0000 H 0 0 0
- 0.6595 1.3832 0.0000 H 0 0 0
- 1.1246 -4.3848 0.0000 H 0 0 0
- -3.3665 -0.2491 0.0000 H 0 0 0
- -2.1445 -0.8891 0.0000 H 0 0 0
- -1.2722 -4.1452 0.0000 H 0 0 0
- 4.6189 1.1575 0.0000 H 0 0 0
- 1.9509 3.1483 0.0000 H 0 0 0
- -2.4415 2.2789 0.0000 H 0 0 0
- 4.0693 3.2128 0.0000 H 0 0 0
- -5.4506 1.8532 0.0000 H 0 0 0
- -4.8408 0.2578 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 1 0
- 9 11 1 0
- 13 15 2 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77109-49-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -2.3439 -0.1138 -0.4436 C 0 0 1
- -3.3343 -1.2423 -0.3140 C 0 0 0
- -2.6307 0.9063 0.5679 N 0 0 0
- -0.9269 -0.6527 -0.2370 C 0 0 0
- -3.4151 -1.9359 0.8323 O 0 0 0
- -4.0557 -1.5225 -1.2419 O 0 0 0
- -3.4769 1.9165 0.2852 C 0 0 0
- 0.2653 0.7056 -0.3930 S 0 0 0
- -4.3694 -3.0232 0.9572 C 0 0 0
- -3.7719 2.9659 1.3257 C 0 0 0
- -4.0008 1.9811 -0.8067 O 0 0 0
- 1.8120 -0.1988 -0.1098 C 0 0 0
- 2.9926 0.7705 -0.1958 C 0 0 0
- 4.6690 -0.2096 0.1111 Br 0 0 0
- -1.5432 0.6184 0.0000 H 0 0 0
- -1.6712 1.4128 0.0000 H 0 0 0
- -1.4302 -1.6139 0.0000 H 0 0 0
- -0.0322 -1.2666 0.0000 H 0 0 0
- -5.1849 -2.3075 0.0000 H 0 0 0
- -5.0851 -3.8387 0.0000 H 0 0 0
- -3.5539 -3.7389 0.0000 H 0 0 0
- -2.7274 3.2595 0.0000 H 0 0 0
- -4.0655 4.0104 0.0000 H 0 0 0
- -4.8164 2.6723 0.0000 H 0 0 0
- 1.1578 -1.0644 0.0000 H 0 0 0
- 2.5945 -0.9504 0.0000 H 0 0 0
- 3.6468 1.6361 0.0000 H 0 0 0
- 2.2101 1.5221 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 12 13 1 0
- 13 14 1 0
- 1 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78400-41-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 44 1 V2000
- 0.2662 -0.9614 0.1411 C 0 0 0
- 1.1963 -2.1475 0.2386 C 0 0 0
- 0.7900 0.3408 0.0611 C 0 0 0
- -1.0769 -1.1727 0.1265 C 0 0 0
- 2.7084 -1.8817 0.2403 C 0 0 0
- 1.9936 -2.2425 -0.9913 N 0 0 0
- 2.2546 0.5861 0.0593 C 0 0 0
- -0.0498 1.4478 -0.0208 C 0 0 0
- -1.9187 -0.0676 0.0429 C 0 0 0
- -1.9509 -2.4028 0.1815 C 0 0 0
- 3.1771 -0.4495 0.1431 C 0 0 0
- 2.7123 1.9043 -0.0298 C 0 0 0
- -1.4369 1.2527 -0.0272 C 0 0 0
- -3.2749 -0.3732 0.0343 C 0 0 0
- -3.4007 -1.8749 0.1193 C 0 0 0
- 4.5310 -0.1774 0.1375 C 0 0 0
- 4.0655 2.1669 -0.0347 C 0 0 0
- -2.3807 2.2914 -0.1034 C 0 0 0
- -4.1626 0.6572 -0.0419 C 0 0 0
- 4.9763 1.1288 0.0486 C 0 0 0
- -3.7086 1.9763 -0.1065 C 0 0 0
- -5.6424 0.3723 -0.0536 C 0 0 0
- 0.6835 -3.0595 0.0000 H 0 0 0
- 3.5020 -2.5636 0.0000 H 0 0 0
- 2.1752 -3.2729 0.0000 H 0 0 0
- 0.3490 2.4151 0.0000 H 0 0 0
- -2.3953 -3.3500 0.0000 H 0 0 0
- -1.0472 -2.9301 0.0000 H 0 0 0
- 2.0270 2.6949 0.0000 H 0 0 0
- -4.4315 -1.6957 0.0000 H 0 0 0
- -3.6703 -2.8858 0.0000 H 0 0 0
- 5.2211 -0.9638 0.0000 H 0 0 0
- 4.4040 3.1569 0.0000 H 0 0 0
- -2.0714 3.2909 0.0000 H 0 0 0
- 6.0026 1.3324 0.0000 H 0 0 0
- -4.4111 2.7517 0.0000 H 0 0 0
- -5.8402 1.3997 0.0000 H 0 0 0
- -6.6698 0.1745 0.0000 H 0 0 0
- -5.4446 -0.6551 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 2 0
- 14 19 1 0
- 16 20 2 0
- 18 21 1 0
- 19 22 1 0
- 5 6 1 0
- 7 11 2 0
- 9 13 1 0
- 14 15 1 0
- 17 20 1 0
- 19 21 2 0
- 2 23 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 12 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-926-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.8788 0.0000 -0.0835 S 0 0 0
- -0.3806 0.0003 0.7711 O 0 0 0
- 2.2125 0.0006 1.1460 C 0 0 0
- 0.7962 -1.2438 -0.7657 O 0 0 0
- 0.7960 1.2431 -0.7669 O 0 0 0
- -1.4906 -0.0001 -0.1289 C 0 0 0
- -2.3410 -1.2492 0.1106 C 0 0 0
- -2.3409 1.2493 0.1096 C 0 0 0
- 2.2129 -0.9439 0.0000 H 0 0 0
- 3.1571 0.0010 0.0000 H 0 0 0
- 2.2121 0.9451 0.0000 H 0 0 0
- -1.0488 -0.8350 0.0000 H 0 0 0
- -3.1218 -0.7176 0.0000 H 0 0 0
- -2.8726 -2.0300 0.0000 H 0 0 0
- -1.5602 -1.7808 0.0000 H 0 0 0
- -1.5600 1.7807 0.0000 H 0 0 0
- -2.8723 2.0302 0.0000 H 0 0 0
- -3.1218 0.7179 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 6 7 1 0
- 6 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-28553-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 72 1 V2000
- 0.7250 -3.1704 -0.1141 C 0 0 0
- -0.6310 -2.9576 0.1984 C 0 0 0
- 1.5259 -2.0889 -0.7263 C 0 0 0
- 1.3090 -4.4039 0.1622 C 0 0 0
- -1.2633 -1.6514 -0.0846 C 0 0 0
- -1.3732 -3.9848 0.7751 C 0 0 0
- 2.6508 -1.6594 -0.1226 O 0 0 0
- 1.1694 -1.5877 -1.7736 O 0 0 0
- 0.5577 -5.4102 0.7399 C 0 0 0
- -2.5875 -1.4897 0.1019 O 0 0 0
- -0.5887 -0.7243 -0.4852 O 0 0 0
- -0.7778 -5.2044 1.0374 C 0 0 0
- 3.4373 -0.5972 -0.7238 C 0 0 0
- -3.2084 -0.2069 -0.1760 C 0 0 0
- 4.6534 -0.3023 0.1564 C 0 0 0
- -4.7078 -0.2921 0.1165 C 0 0 0
- 5.4822 0.8169 -0.4771 C 0 0 0
- -5.3621 1.0595 -0.1764 C 0 0 0
- 6.6983 1.1119 0.4031 C 0 0 0
- -6.8615 0.9743 0.1161 C 0 0 0
- 7.5271 2.2311 -0.2304 C 0 0 0
- -7.5158 2.3260 -0.1767 C 0 0 0
- 8.7432 2.5260 0.6498 C 0 0 0
- -9.0152 2.2408 0.1157 C 0 0 0
- 9.5720 3.6453 0.0163 C 0 0 0
- -9.6695 3.5924 -0.1771 C 0 0 0
- 8.7148 4.9065 -0.1085 C 0 0 0
- 10.7881 3.9402 0.8965 C 0 0 0
- -11.1689 3.5072 0.1153 C 0 0 0
- -9.0374 4.6677 0.7090 C 0 0 0
- 2.3247 -4.5054 0.0000 H 0 0 0
- -2.3902 -3.8974 0.0000 H 0 0 0
- 0.9442 -6.3549 0.0000 H 0 0 0
- -1.3831 -6.0263 0.0000 H 0 0 0
- 3.4922 0.4220 0.0000 H 0 0 0
- 2.4769 -0.2514 0.0000 H 0 0 0
- -2.2393 0.1136 0.0000 H 0 0 0
- -3.3993 0.7958 0.0000 H 0 0 0
- 4.5984 -1.3215 0.0000 H 0 0 0
- 5.6138 -0.6481 0.0000 H 0 0 0
- -5.6769 -0.6127 0.0000 H 0 0 0
- -4.5169 -1.2948 0.0000 H 0 0 0
- 5.5371 1.8361 0.0000 H 0 0 0
- 4.5218 1.1627 0.0000 H 0 0 0
- -4.3930 1.3801 0.0000 H 0 0 0
- -5.5530 2.0622 0.0000 H 0 0 0
- 6.6434 0.0927 0.0000 H 0 0 0
- 7.6587 0.7661 0.0000 H 0 0 0
- -7.8306 0.6537 0.0000 H 0 0 0
- -6.6706 -0.0284 0.0000 H 0 0 0
- 7.5821 3.2503 0.0000 H 0 0 0
- 6.5667 2.5769 0.0000 H 0 0 0
- -6.5467 2.6466 0.0000 H 0 0 0
- -7.7067 3.3287 0.0000 H 0 0 0
- 8.6883 1.5068 0.0000 H 0 0 0
- 9.7036 2.1802 0.0000 H 0 0 0
- -9.9843 1.9202 0.0000 H 0 0 0
- -8.8243 1.2381 0.0000 H 0 0 0
- 10.1362 2.7947 0.0000 H 0 0 0
- -8.6496 3.5513 0.0000 H 0 0 0
- 9.5590 5.4803 0.0000 H 0 0 0
- 8.1410 5.7507 0.0000 H 0 0 0
- 7.8706 4.3327 0.0000 H 0 0 0
- 11.0287 2.9482 0.0000 H 0 0 0
- 11.7801 4.1808 0.0000 H 0 0 0
- 10.5475 4.9322 0.0000 H 0 0 0
- -11.2268 4.5263 0.0000 H 0 0 0
- -12.1880 3.4493 0.0000 H 0 0 0
- -11.1110 2.4881 0.0000 H 0 0 0
- -8.1574 4.1504 0.0000 H 0 0 0
- -8.5201 5.5477 0.0000 H 0 0 0
- -9.9174 5.1850 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 25 28 1 0
- 26 29 1 0
- 26 30 1 0
- 9 12 1 0
- 4 31 1 0
- 6 32 1 0
- 9 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
- 22 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 25 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
- 29 67 1 0
- 29 68 1 0
- 29 69 1 0
- 30 70 1 0
- 30 71 1 0
- 30 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17455-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- -0.1979 -3.6252 -0.2275 C 0 0 0
- -1.6148 -3.2545 0.2153 C 0 0 0
- 0.7239 -2.6453 0.2554 O 0 0 0
- -1.9239 -1.9336 -0.2339 O 0 0 0
- 2.0173 -3.0275 -0.2168 C 0 0 0
- -3.2519 -1.6468 0.2087 C 0 0 0
- 3.0484 -1.9852 0.2208 C 0 0 0
- -3.6377 -0.2299 -0.2208 C 0 0 0
- 2.6409 -0.6927 -0.2324 O 0 0 0
- -2.6413 0.6914 0.2269 O 0 0 0
- 3.6361 0.2328 0.2091 C 0 0 0
- -3.0485 1.9878 -0.2156 C 0 0 0
- 3.2468 1.6468 -0.2268 C 0 0 0
- -2.0154 3.0257 0.2277 C 0 0 0
- 1.9234 1.9377 0.2272 O 0 0 0
- -0.7193 2.6323 -0.2277 O 0 0 0
- 1.6145 3.2595 -0.2195 C 0 0 0
- 0.1981 3.6300 0.2249 C 0 0 0
- -0.6153 -4.5543 0.0000 H 0 0 0
- 0.6493 -4.1906 0.0000 H 0 0 0
- -2.6310 -3.3237 0.0000 H 0 0 0
- -1.7104 -4.2685 0.0000 H 0 0 0
- 1.5729 -3.9439 0.0000 H 0 0 0
- 2.8487 -3.6158 0.0000 H 0 0 0
- -4.2647 -1.7549 0.0000 H 0 0 0
- -3.3060 -2.6639 0.0000 H 0 0 0
- 3.6476 -2.8088 0.0000 H 0 0 0
- 3.9578 -1.5265 0.0000 H 0 0 0
- -4.2011 0.6186 0.0000 H 0 0 0
- -4.5652 -0.6508 0.0000 H 0 0 0
- 4.2019 -0.6141 0.0000 H 0 0 0
- 4.5624 0.6563 0.0000 H 0 0 0
- -3.6457 2.8128 0.0000 H 0 0 0
- -3.9587 1.5307 0.0000 H 0 0 0
- 4.2595 1.7556 0.0000 H 0 0 0
- 3.3025 2.6638 0.0000 H 0 0 0
- -1.5655 3.9395 0.0000 H 0 0 0
- -2.8442 3.6177 0.0000 H 0 0 0
- 2.6307 3.3285 0.0000 H 0 0 0
- 1.7101 4.2735 0.0000 H 0 0 0
- 0.6119 4.5607 0.0000 H 0 0 0
- -0.6533 4.1890 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 18 1 0
- 1 19 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 14 37 1 0
- 14 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.6590 0.0001 -0.0012 C 0 0 0
- -2.0557 0.0000 -0.0007 N 0 0 0
- 0.0370 1.2020 0.0004 C 0 0 0
- 0.0372 -1.2022 0.0025 C 0 0 0
- -2.7882 -1.2687 -0.0024 C 0 0 0
- -2.7883 1.2688 0.0015 C 0 0 0
- 1.4182 1.1984 0.0004 C 0 0 0
- 1.4181 -1.1986 0.0025 C 0 0 0
- 2.1080 0.0001 -0.0012 C 0 0 0
- 3.6150 0.0001 -0.0018 C 0 0 0
- -0.4821 2.1053 0.0000 H 0 0 0
- -0.4820 -2.1055 0.0000 H 0 0 0
- -3.6904 -0.7478 0.0000 H 0 0 0
- -3.3091 -2.1709 0.0000 H 0 0 0
- -1.8860 -1.7896 0.0000 H 0 0 0
- -1.8861 1.7897 0.0000 H 0 0 0
- -3.3092 2.1710 0.0000 H 0 0 0
- -3.6905 0.7479 0.0000 H 0 0 0
- 1.9409 2.0996 0.0000 H 0 0 0
- 1.9408 -2.0998 0.0000 H 0 0 0
- 3.6150 -1.0417 0.0000 H 0 0 0
- 4.6568 0.0001 0.0000 H 0 0 0
- 3.6150 1.0419 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5579-05-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -2.8280 0.9424 0.1043 O 0 0 0
- -3.6928 -0.0796 -0.0420 C 0 0 0
- -1.4893 0.7086 0.0808 C 0 0 0
- -5.0160 0.1312 0.1039 N 0 0 0
- -3.2801 -1.1917 -0.3054 O 0 0 0
- -0.6014 1.7378 0.3613 C 0 0 0
- -1.0130 -0.5609 -0.2183 C 0 0 0
- -5.9567 -0.9805 -0.0553 C 0 0 0
- 0.7577 1.5034 0.3386 C 0 0 0
- 0.3445 -0.8013 -0.2425 C 0 0 0
- 1.2389 0.2316 0.0336 C 0 0 0
- 2.7002 -0.0237 0.0079 C 0 0 0
- 3.2109 -1.2156 0.5177 C 0 0 0
- 3.5667 0.9254 -0.5315 C 0 0 0
- 4.5712 -1.4481 0.4907 C 0 0 0
- 4.9249 0.6825 -0.5533 C 0 0 0
- 5.4269 -0.5005 -0.0410 C 0 0 0
- -5.3706 1.0869 0.0000 H 0 0 0
- -0.9453 2.6974 0.0000 H 0 0 0
- -1.6646 -1.3447 0.0000 H 0 0 0
- -6.7348 -0.3221 0.0000 H 0 0 0
- -6.6151 -1.7586 0.0000 H 0 0 0
- -5.1786 -1.6389 0.0000 H 0 0 0
- 1.4065 2.2896 0.0000 H 0 0 0
- 0.6853 -1.7620 0.0000 H 0 0 0
- 2.5798 -2.0161 0.0000 H 0 0 0
- 3.2393 1.8907 0.0000 H 0 0 0
- 4.9049 -2.4113 0.0000 H 0 0 0
- 5.5605 1.4794 0.0000 H 0 0 0
- 6.4321 -0.6695 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 12 11 1 0
- 13 12 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 2 0
- 17 15 2 0
- 10 11 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-60032-80-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 47 1 V2000
- 0.1566 0.1504 -0.0038 C 0 0 0
- -1.2245 -0.0136 -0.0013 C 0 0 0
- 0.5224 1.5549 0.0038 C 0 0 0
- 1.0712 -0.8978 -0.0070 C 0 0 0
- -1.8105 1.3418 0.0055 C 0 0 0
- -1.7105 -1.3211 -0.0044 C 0 0 0
- -0.7598 2.2903 0.0095 C 0 0 0
- 1.8491 1.8656 0.0048 C 0 0 0
- 2.4893 -0.5302 -0.0081 C 0 0 0
- 0.5586 -2.1915 -0.0086 C 0 0 0
- -3.1297 1.7890 0.0073 C 0 0 0
- -0.8211 -2.3842 -0.0144 C 0 0 0
- -3.2041 -1.5095 0.0127 C 0 0 0
- -1.0628 3.6484 0.0181 C 0 0 0
- 2.8327 0.8457 -0.0016 C 0 0 0
- 3.4935 -1.4978 -0.0141 C 0 0 0
- -3.4065 3.1399 0.0147 C 0 0 0
- -1.2929 -3.8176 -0.0264 C 0 0 0
- -3.5761 -2.9280 -0.4127 C 0 0 0
- -2.3771 4.0670 0.0219 C 0 0 0
- 4.1942 1.1986 0.0015 C 0 0 0
- 4.8054 -1.1174 -0.0138 C 0 0 0
- -2.7484 -3.9120 0.4226 C 0 0 0
- 5.1510 0.2290 -0.0063 C 0 0 0
- 2.1446 2.8678 0.0000 H 0 0 0
- 1.2043 -3.0129 0.0000 H 0 0 0
- -3.9131 1.0977 0.0000 H 0 0 0
- -3.2022 -0.4647 0.0000 H 0 0 0
- -4.2402 -1.3749 0.0000 H 0 0 0
- -0.2919 4.3537 0.0000 H 0 0 0
- 3.2428 -2.5121 0.0000 H 0 0 0
- -4.3990 3.4664 0.0000 H 0 0 0
- -1.3585 -4.8604 0.0000 H 0 0 0
- -0.2670 -4.0153 0.0000 H 0 0 0
- -4.5116 -2.4628 0.0000 H 0 0 0
- -4.2220 -3.7492 0.0000 H 0 0 0
- -2.5974 5.0883 0.0000 H 0 0 0
- 4.4721 2.2058 0.0000 H 0 0 0
- 5.5555 -1.8447 0.0000 H 0 0 0
- -3.6714 -4.4017 0.0000 H 0 0 0
- -2.4634 -4.9172 0.0000 H 0 0 0
- 6.1597 0.5014 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 2 0
- 15 21 1 0
- 16 22 2 0
- 18 23 1 0
- 21 24 2 0
- 5 7 2 0
- 9 15 2 0
- 10 12 1 0
- 17 20 1 0
- 19 23 1 0
- 22 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 21 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4176-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 1.0704 -0.3939 -0.0016 C 0 0 0
- -0.3811 -0.6001 -0.0011 C 0 0 0
- 1.5683 0.9286 -0.0008 C 0 0 0
- 1.9613 -1.4688 0.0031 C 0 0 0
- -1.2263 0.5314 0.0001 C 0 0 0
- -0.9352 -1.8818 -0.0015 C 0 0 0
- 0.6685 2.0194 0.0009 C 0 0 0
- 2.9549 1.1370 -0.0012 C 0 0 0
- 3.3066 -1.2327 0.0030 C 0 0 0
- -0.6669 1.8286 0.0004 C 0 0 0
- -2.6226 0.3467 0.0005 C 0 0 0
- -2.3023 -2.0384 -0.0006 C 0 0 0
- 3.8003 0.0666 -0.0023 C 0 0 0
- -3.1424 -0.9331 -0.0003 C 0 0 0
- -3.4750 1.4491 0.0012 N 0 0 0
- 1.5998 -2.4515 0.0000 H 0 0 0
- -0.3112 -2.7227 0.0000 H 0 0 0
- 1.0467 2.9958 0.0000 H 0 0 0
- 3.3399 2.1107 0.0000 H 0 0 0
- 3.9737 -2.0398 0.0000 H 0 0 0
- -1.3029 2.6604 0.0000 H 0 0 0
- -2.7133 -3.0014 0.0000 H 0 0 0
- 4.8352 0.2259 0.0000 H 0 0 0
- -4.1804 -1.0710 0.0000 H 0 0 0
- -3.0779 2.4180 0.0000 H 0 0 0
- -4.5126 1.3086 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 11 15 1 0
- 7 10 2 0
- 9 13 1 0
- 12 14 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61477-94-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 58 1 V2000
- -2.1695 1.2944 -0.6405 C 0 0 0
- -3.3217 2.2540 -0.4904 C 0 0 0
- -1.0486 1.7077 0.2781 C 0 0 0
- -2.6317 -0.1183 -0.2776 C 0 0 0
- -1.7081 1.3119 -1.9929 O 0 0 0
- -4.1237 2.5464 -1.5774 C 0 0 0
- -3.5800 2.8376 0.7361 C 0 0 0
- -0.1359 2.6563 -0.1421 C 0 0 0
- -0.9532 1.1637 1.4757 N 0 0 0
- -1.4292 -1.0643 -0.2785 C 0 0 0
- -5.1808 3.4268 -1.4396 C 0 0 0
- -4.6367 3.7177 0.8738 C 0 0 0
- 0.8915 3.0300 0.7110 C 0 0 0
- 0.0102 1.4948 2.3129 C 0 0 0
- -1.8914 -2.4769 0.0844 C 0 0 0
- -5.4355 4.0145 -0.2149 C 0 0 0
- 0.9623 2.4326 1.9599 C 0 0 0
- -0.7606 -3.4073 -0.0327 N 0 0 0
- -0.5920 -4.0335 1.2830 C 0 0 1
- -1.1753 -4.4592 -0.9669 C 0 0 2
- 0.5704 -5.0272 1.2380 C 0 0 0
- -0.3004 -2.9545 2.3277 C 0 0 0
- -0.0450 -5.4765 -1.1358 C 0 0 0
- -1.5062 -3.8347 -2.3239 C 0 0 0
- 0.2545 -6.1262 0.2187 C 0 0 0
- 13.8189 1.7035 -0.5300 Cl 0 0 0
- -3.4015 0.2375 0.0000 H 0 0 0
- -3.0748 -0.8414 0.0000 H 0 0 0
- -0.8607 1.3440 0.0000 H 0 0 0
- -4.5466 1.8113 0.0000 H 0 0 0
- -2.9031 3.3484 0.0000 H 0 0 0
- -0.5983 3.3671 0.0000 H 0 0 0
- -0.6594 -1.4201 0.0000 H 0 0 0
- -0.9861 -0.3412 0.0000 H 0 0 0
- -5.8597 2.9186 0.0000 H 0 0 0
- -4.2116 4.4515 0.0000 H 0 0 0
- 1.3362 3.7521 0.0000 H 0 0 0
- 0.4566 0.7738 0.0000 H 0 0 0
- -2.6585 -2.1155 0.0000 H 0 0 0
- -2.3450 -3.1934 0.0000 H 0 0 0
- -6.0509 4.5980 0.0000 H 0 0 0
- 1.7625 2.1518 0.0000 H 0 0 0
- -1.3090 -4.4863 0.0000 H 0 0 0
- -1.8439 -4.9809 0.0000 H 0 0 0
- 1.3439 -5.3748 0.0000 H 0 0 0
- 1.0243 -4.3109 0.0000 H 0 0 0
- 0.5183 -3.1757 0.0000 H 0 0 0
- -0.0792 -2.1358 0.0000 H 0 0 0
- -1.1191 -2.7333 0.0000 H 0 0 0
- 0.8022 -5.4395 0.0000 H 0 0 0
- 0.2415 -4.6783 0.0000 H 0 0 0
- -0.7569 -3.4377 0.0000 H 0 0 0
- -1.9032 -3.0854 0.0000 H 0 0 0
- -2.2555 -4.2317 0.0000 H 0 0 0
- -0.3840 -6.6843 0.0000 H 0 0 0
- 0.9702 -6.5811 0.0000 H 0 0 0
- 14.6669 1.7035 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 20 24 1 0
- 21 25 1 0
- 12 16 1 0
- 14 17 1 0
- 23 25 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 10 33 1 0
- 10 34 1 0
- 11 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 16 41 1 0
- 17 42 1 0
- 19 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
- 25 55 1 0
- 25 56 1 0
- 26 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- 0.7011 -1.4262 -0.2679 C 0 0 0
- -0.6494 -1.2462 0.0863 C 0 0 0
- 1.5125 -0.2740 -0.7152 C 0 0 0
- 1.2696 -2.6948 -0.1890 C 0 0 0
- -1.2653 0.0958 0.0125 C 0 0 0
- -1.4018 -2.3400 0.5063 C 0 0 0
- 2.6479 0.0436 -0.0636 O 0 0 0
- 1.1554 0.3860 -1.6701 O 0 0 0
- 0.5085 -3.7679 0.2352 C 0 0 0
- -2.5857 0.2441 0.2342 O 0 0 0
- -0.5807 1.0646 -0.2481 O 0 0 0
- -0.8218 -3.5929 0.5733 C 0 0 0
- 3.4448 1.1751 -0.5028 C 0 0 0
- -3.1905 1.5621 0.1616 C 0 0 0
- 4.6715 1.3162 0.4005 C 0 0 0
- -4.6887 1.4524 0.4519 C 0 0 0
- 5.5112 2.5085 -0.0623 C 0 0 0
- 4.2184 1.5415 1.8444 C 0 0 0
- -5.3260 2.8412 0.3754 C 0 0 0
- -5.3425 0.5336 -0.5822 C 0 0 0
- 2.2788 -2.7938 0.0000 H 0 0 0
- -2.4123 -2.2544 0.0000 H 0 0 0
- 0.9142 -4.6973 0.0000 H 0 0 0
- -1.4225 -4.4099 0.0000 H 0 0 0
- 3.5744 2.1809 0.0000 H 0 0 0
- 2.4997 1.5426 0.0000 H 0 0 0
- -2.2251 1.8726 0.0000 H 0 0 0
- -3.3841 2.5575 0.0000 H 0 0 0
- 5.1893 0.4443 0.0000 H 0 0 0
- -4.1912 0.5687 0.0000 H 0 0 0
- 6.3403 1.9246 0.0000 H 0 0 0
- 6.0951 3.3376 0.0000 H 0 0 0
- 4.6821 3.0924 0.0000 H 0 0 0
- 4.6699 2.4495 0.0000 H 0 0 0
- 3.3104 1.9930 0.0000 H 0 0 0
- 3.7669 0.6335 0.0000 H 0 0 0
- -4.4043 3.2641 0.0000 H 0 0 0
- -5.7489 3.7629 0.0000 H 0 0 0
- -6.2477 2.4183 0.0000 H 0 0 0
- -6.1687 1.1215 0.0000 H 0 0 0
- -5.9304 -0.2926 0.0000 H 0 0 0
- -4.5163 -0.0543 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 9 12 1 0
- 4 21 1 0
- 6 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 19 39 1 0
- 20 40 1 0
- 20 41 1 0
- 20 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5412-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.0003 -0.3442 -0.9718 P 0 0 0
- -1.3081 0.0888 -0.1395 O 0 0 0
- 1.3087 -0.1507 -0.0539 O 0 0 0
- -0.1269 -1.8894 -1.4059 O 0 0 0
- 0.1172 0.5001 -2.1817 O 0 0 0
- -2.4299 -0.1046 -1.0033 C 0 0 0
- 2.4305 -0.5495 -0.8443 C 0 0 0
- -3.7128 0.2906 -0.2693 C 0 0 0
- 3.7135 -0.3891 -0.0263 C 0 0 0
- -4.9139 0.0835 -1.1942 C 0 0 0
- -3.9207 -0.8267 1.3349 Br 0 0 0
- 4.9145 -0.8161 -0.8726 C 0 0 0
- 3.9215 1.4925 0.5043 Br 0 0 0
- -6.5625 0.5914 -0.2510 Br 0 0 0
- 6.5631 -0.6100 0.1784 Br 0 0 0
- -0.2074 -2.8670 0.0000 H 0 0 0
- -3.0358 -0.8759 0.0000 H 0 0 0
- -1.9275 -0.9470 0.0000 H 0 0 0
- 1.7913 -1.2934 0.0000 H 0 0 0
- 2.8944 -1.4137 0.0000 H 0 0 0
- -3.6500 1.2694 0.0000 H 0 0 0
- 3.6072 -1.3642 0.0000 H 0 0 0
- -5.5199 -0.6878 0.0000 H 0 0 0
- -4.4114 -0.7589 0.0000 H 0 0 0
- 4.2752 -1.5600 0.0000 H 0 0 0
- 5.3784 -1.6803 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-620-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -0.2896 -1.0981 0.0063 C 0 0 0
- -1.5556 -1.5920 0.0031 O 0 0 0
- 0.3263 -0.7729 1.2061 C 0 0 0
- 0.3914 -0.9235 -1.1902 C 0 0 0
- -2.3942 -0.5230 -0.0100 C 0 0 0
- 1.6134 -0.2709 1.2066 C 0 0 0
- 1.6780 -0.4213 -1.1841 C 0 0 0
- -3.7613 -0.7104 0.1343 C 0 0 0
- -1.8842 0.7588 -0.1619 C 0 0 0
- 2.2876 -0.0925 0.0129 C 0 0 0
- -4.6118 0.3783 0.1206 C 0 0 0
- -2.7389 1.8437 -0.1749 C 0 0 0
- 3.6664 0.4460 0.0164 N 0 3 0
- -4.1017 1.6536 -0.0366 C 0 0 0
- 4.2613 0.6036 -1.0347 O 0 0 0
- 4.2060 0.7316 1.0704 O 0 5 0
- -0.1021 0.1640 0.0000 H 0 0 0
- 0.7072 -1.9041 0.0000 H 0 0 0
- 1.2940 0.7085 0.0000 H 0 0 0
- 2.1106 -1.3562 0.0000 H 0 0 0
- -4.1488 -1.6649 0.0000 H 0 0 0
- -0.8648 0.9069 0.0000 H 0 0 0
- -5.6317 0.2332 0.0000 H 0 0 0
- -2.3544 2.7994 0.0000 H 0 0 0
- -4.7369 2.4646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 7 10 1 0
- 12 14 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-133591-38-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 1.3202 -0.4450 -0.0023 C 0 0 0
- -0.0607 0.0720 -0.0014 C 0 0 0
- 2.1644 0.6753 -0.0008 C 0 0 0
- 1.8638 -1.7275 0.0007 C 0 0 0
- 0.0383 1.4712 0.0007 C 0 0 0
- -1.3128 -0.5384 -0.0017 C 0 0 0
- 1.3786 1.8138 0.0011 N 0 0 0
- 3.5437 0.4894 -0.0008 C 0 0 0
- 3.2321 -1.8913 -0.0008 C 0 0 0
- 0.9584 -2.9321 0.0061 C 0 0 0
- -1.1240 2.2367 0.0016 C 0 0 0
- -2.4523 0.2366 0.0000 C 0 0 0
- 4.0680 -0.7850 -0.0020 C 0 0 0
- 4.4643 1.6825 0.0009 C 0 0 0
- -2.3563 1.6198 0.0005 C 0 0 0
- -3.7838 -0.4101 -0.0004 N 0 3 0
- -4.7924 0.2727 0.0011 O 0 0 0
- -3.8708 -1.6250 -0.0022 O 0 5 0
- -1.3876 -1.5776 0.0000 H 0 0 0
- 1.7439 2.7895 0.0000 H 0 0 0
- 3.6400 -2.8500 0.0000 H 0 0 0
- 0.1255 -2.3061 0.0000 H 0 0 0
- 0.3324 -3.7650 0.0000 H 0 0 0
- 1.7913 -3.5581 0.0000 H 0 0 0
- -1.0624 3.2768 0.0000 H 0 0 0
- 5.1013 -0.9184 0.0000 H 0 0 0
- 5.2892 1.0460 0.0000 H 0 0 0
- 5.1008 2.5074 0.0000 H 0 0 0
- 3.6394 2.3190 0.0000 H 0 0 0
- -3.2232 2.1977 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 16 17 2 0
- 16 18 1 0
- 5 7 1 0
- 9 13 1 0
- 12 15 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39179-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.8291 -0.5088 -0.0032 C 0 0 0
- -1.8715 -1.4273 -0.0012 C 0 0 0
- -1.1069 0.8521 -0.0031 C 0 0 0
- 0.4951 -0.9528 0.0004 N 0 0 0
- -3.1795 -0.9849 0.0009 C 0 0 0
- -2.4176 1.2878 -0.0009 C 0 0 0
- 1.5930 0.0172 -0.0017 C 0 0 0
- -3.4526 0.3710 0.0011 C 0 0 0
- 2.9303 -0.7261 0.0030 C 0 0 0
- -4.8814 0.8501 0.0034 C 0 0 0
- 4.2815 0.4677 0.0004 Cl 0 0 0
- -1.6665 -2.4489 0.0000 H 0 0 0
- -0.3274 1.5436 0.0000 H 0 0 0
- 0.7022 -1.9740 0.0000 H 0 0 0
- -3.9617 -1.6733 0.0000 H 0 0 0
- -2.6266 2.3086 0.0000 H 0 0 0
- 2.1989 0.8649 0.0000 H 0 0 0
- 0.8192 0.7151 0.0000 H 0 0 0
- 2.3244 -1.5738 0.0000 H 0 0 0
- 3.7041 -1.4240 0.0000 H 0 0 0
- -4.5501 1.8380 0.0000 H 0 0 0
- -5.8693 1.1814 0.0000 H 0 0 0
- -5.2127 -0.1378 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6610-08-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.7417 0.6290 -0.0030 C 0 0 0
- -0.9560 -0.7737 -0.0006 C 0 0 0
- 0.5606 1.1398 -0.0028 C 0 0 0
- -1.8524 1.4972 0.0002 C 0 0 0
- 0.1401 -1.6627 0.0011 C 0 0 0
- -2.2702 -1.2652 -0.0004 C 0 0 0
- 1.6488 0.2542 -0.0002 C 0 0 0
- -3.1119 0.9814 0.0057 C 0 0 0
- 1.4064 -1.1878 0.0004 C 0 0 0
- -3.3204 -0.3959 -0.0025 C 0 0 0
- 2.8982 0.7253 -0.0004 N 0 0 0
- 3.8402 -0.0468 0.0019 O 0 0 0
- 0.7222 2.1764 0.0000 H 0 0 0
- -1.7087 2.5365 0.0000 H 0 0 0
- -0.0284 -2.6982 0.0000 H 0 0 0
- -2.4444 -2.2998 0.0000 H 0 0 0
- -3.9367 1.6298 0.0000 H 0 0 0
- 2.2161 -1.8550 0.0000 H 0 0 0
- -4.3006 -0.7700 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 2 0
- 7 9 1 0
- 8 10 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-52-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- -1.0150 -0.3459 -0.0038 C 0 0 0
- -2.2835 0.5095 0.0056 C 0 0 0
- 0.2144 0.5648 0.0062 C 0 0 0
- -3.5128 -0.4013 -0.0044 C 0 0 0
- 1.4829 -0.2906 -0.0032 C 0 0 0
- -4.7813 0.4541 0.0050 C 0 0 0
- 2.7122 0.6202 0.0068 C 0 0 0
- -6.0107 -0.4566 -0.0050 C 0 0 0
- 3.9807 -0.2352 -0.0026 C 0 0 0
- -7.2792 0.3988 0.0044 C 0 0 0
- 5.2101 0.6756 0.0074 C 0 0 0
- -8.5085 -0.5120 -0.0056 C 0 0 0
- 6.7049 -0.3325 -0.0036 Cl 0 0 0
- -1.7600 -1.2186 0.0000 H 0 0 0
- -0.2321 -1.1848 0.0000 H 0 0 0
- -1.5385 1.3823 0.0000 H 0 0 0
- -3.0665 1.3484 0.0000 H 0 0 0
- 0.9594 1.4375 0.0000 H 0 0 0
- -0.5685 1.4037 0.0000 H 0 0 0
- -4.2578 -1.2741 0.0000 H 0 0 0
- -2.7298 -1.2402 0.0000 H 0 0 0
- 0.7379 -1.1634 0.0000 H 0 0 0
- 2.2659 -1.1295 0.0000 H 0 0 0
- -4.0363 1.3268 0.0000 H 0 0 0
- -5.5642 1.2930 0.0000 H 0 0 0
- 3.4572 1.4930 0.0000 H 0 0 0
- 1.9292 1.4591 0.0000 H 0 0 0
- -6.7557 -1.3293 0.0000 H 0 0 0
- -5.2278 -1.2955 0.0000 H 0 0 0
- 3.2357 -1.1079 0.0000 H 0 0 0
- 4.7636 -1.0741 0.0000 H 0 0 0
- -6.5342 1.2716 0.0000 H 0 0 0
- -8.0622 1.2377 0.0000 H 0 0 0
- 5.9551 1.5483 0.0000 H 0 0 0
- 4.4272 1.5145 0.0000 H 0 0 0
- -9.1916 0.4100 0.0000 H 0 0 0
- -9.4305 -1.1951 0.0000 H 0 0 0
- -7.8254 -1.4340 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 9 1 0
- 12 10 1 0
- 13 11 1 0
- 1 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-147293-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3657 -0.4040 -0.0014 C 0 0 0
- -1.0928 -0.3719 -0.0005 C 0 0 0
- 1.0604 0.8104 -0.0009 C 0 0 0
- 1.2795 -1.3931 0.0027 N 0 0 0
- -1.7475 0.8866 0.0008 C 0 0 0
- -1.8675 -1.5348 -0.0019 C 0 0 0
- 2.4059 0.4809 -0.0019 N 0 0 0
- 0.3687 2.0227 0.0011 C 0 0 0
- 2.4867 -0.8803 -0.0006 C 0 0 0
- -0.9896 2.0682 0.0008 C 0 0 0
- -3.1540 0.9006 0.0016 C 0 0 0
- -3.1794 -1.4486 -0.0020 N 0 0 0
- 3.5312 1.4190 -0.0018 C 0 0 0
- 3.6590 -1.6070 0.0024 N 0 0 0
- -3.8198 -0.2881 0.0011 C 0 0 0
- -1.4074 -2.4663 0.0000 H 0 0 0
- 0.9054 2.9123 0.0000 H 0 0 0
- -1.4726 2.9881 0.0000 H 0 0 0
- -3.6749 1.7996 0.0000 H 0 0 0
- 4.1965 0.6210 0.0000 H 0 0 0
- 4.3292 2.0843 0.0000 H 0 0 0
- 2.8659 2.2170 0.0000 H 0 0 0
- 3.6265 -2.6454 0.0000 H 0 0 0
- 4.5746 -1.1160 0.0000 H 0 0 0
- -4.8587 -0.2848 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 7 9 1 0
- 8 10 1 0
- 12 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56-55-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.3227 -0.0711 -0.0019 C 0 0 0
- -1.7574 -0.3907 -0.0015 C 0 0 0
- 0.0824 1.3356 0.0004 C 0 0 0
- 0.6301 -1.0765 0.0013 C 0 0 0
- -2.6980 0.6608 0.0011 C 0 0 0
- -2.1977 -1.7153 -0.0032 C 0 0 0
- 1.4313 1.6737 -0.0004 C 0 0 0
- -0.9459 2.3744 0.0030 C 0 0 0
- 1.9876 -0.7424 0.0014 C 0 0 0
- -2.2529 2.0504 0.0028 C 0 0 0
- -4.0661 0.3539 0.0015 C 0 0 0
- -3.5478 -1.9843 -0.0023 C 0 0 0
- 2.3965 0.6643 -0.0033 C 0 0 0
- 2.9840 -1.7389 0.0054 C 0 0 0
- -4.4732 -0.9484 -0.0007 C 0 0 0
- 3.7728 0.9700 -0.0036 C 0 0 0
- 4.2938 -1.3769 0.0061 C 0 0 0
- 4.6833 -0.0384 -0.0060 C 0 0 0
- 0.3351 -2.0816 0.0000 H 0 0 0
- -1.5044 -2.5005 0.0000 H 0 0 0
- 1.7219 2.6800 0.0000 H 0 0 0
- -0.6627 3.3829 0.0000 H 0 0 0
- -2.9683 2.8154 0.0000 H 0 0 0
- -4.7757 1.1244 0.0000 H 0 0 0
- -3.8798 -2.9778 0.0000 H 0 0 0
- 2.7168 -2.7517 0.0000 H 0 0 0
- -5.4970 -1.1699 0.0000 H 0 0 0
- 4.0912 1.9679 0.0000 H 0 0 0
- 5.0294 -2.1226 0.0000 H 0 0 0
- 5.7042 0.1959 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13114-72-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.0388 -0.3954 -0.0211 N 0 0 0
- -1.2916 0.2296 0.0038 C 0 0 0
- 1.1291 0.3772 -0.0283 C 0 0 0
- 0.0431 -1.7406 -0.0326 C 0 0 0
- -2.4481 -0.5236 -0.1482 C 0 0 0
- -1.3803 1.6036 0.1863 C 0 0 0
- 1.6644 0.8178 -1.2312 C 0 0 0
- 1.7512 0.7092 1.1683 C 0 0 0
- 1.2450 -2.3434 0.0595 N 0 0 0
- -0.9674 -2.4104 -0.1261 O 0 0 0
- -3.6824 0.0959 -0.1232 C 0 0 0
- -2.6173 2.2170 0.2103 C 0 0 0
- 2.8163 1.5802 -1.2349 C 0 0 0
- 2.9025 1.4716 1.1579 C 0 0 0
- 1.3258 -3.8009 0.1843 C 0 0 0
- -3.7671 1.4646 0.0529 C 0 0 0
- 3.4362 1.9045 -0.0423 C 0 0 0
- -2.3903 -1.5536 0.0000 H 0 0 0
- -0.5216 2.1754 0.0000 H 0 0 0
- 1.0511 1.6473 0.0000 H 0 0 0
- 2.2794 -0.1769 0.0000 H 0 0 0
- 2.1075 -1.7775 0.0000 H 0 0 0
- -4.5432 -0.4726 0.0000 H 0 0 0
- -2.6787 3.2468 0.0000 H 0 0 0
- 2.2918 2.4685 0.0000 H 0 0 0
- 3.5129 0.6400 0.0000 H 0 0 0
- 0.2958 -3.8580 0.0000 H 0 0 0
- 1.3829 -4.8309 0.0000 H 0 0 0
- 2.3558 -3.7438 0.0000 H 0 0 0
- -4.6893 1.9270 0.0000 H 0 0 0
- 4.2981 2.4713 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 12 16 1 0
- 14 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-18-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.0769 1.0325 -0.1551 P 0 0 2
- 0.0611 -0.5848 0.2895 N 0 0 0
- 1.1525 1.9739 0.4952 N 0 0 0
- -1.2708 1.7730 0.6220 O 0 0 0
- -0.1825 1.1906 -1.6228 O 0 0 0
- -1.0629 -1.2925 -0.3380 C 0 0 0
- 1.2858 -1.0933 -0.3426 C 0 0 0
- 1.0305 3.3141 -0.0878 C 0 0 0
- -1.4485 3.0538 0.0228 C 0 0 0
- -2.1265 -1.5984 0.7184 C 0 0 0
- 2.3343 -1.3798 0.7343 C 0 0 0
- -0.2723 3.9619 0.3859 C 0 0 0
- -3.5061 -2.4670 -0.0517 Cl 0 0 0
- 3.8375 -2.0040 -0.0415 Cl 0 0 0
- 2.0972 1.5597 0.0000 H 0 0 0
- -1.2166 -2.3125 0.0000 H 0 0 0
- -0.1997 -1.8571 0.0000 H 0 0 0
- 0.4942 -1.7546 0.0000 H 0 0 0
- 1.5055 -2.1011 0.0000 H 0 0 0
- 2.0575 3.2180 0.0000 H 0 0 0
- 1.3129 4.3062 0.0000 H 0 0 0
- -1.9287 3.9667 0.0000 H 0 0 0
- -2.4305 2.7381 0.0000 H 0 0 0
- -1.9728 -0.5784 0.0000 H 0 0 0
- -2.9897 -1.0338 0.0000 H 0 0 0
- 3.1259 -0.7185 0.0000 H 0 0 0
- 2.1147 -0.3720 0.0000 H 0 0 0
- 0.3204 4.8061 0.0000 H 0 0 0
- -1.0180 4.6745 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 9 12 1 0
- 3 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-142-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.6778 -0.7444 0.0000 C 0 0 0
- -0.4736 0.2631 0.0000 C 0 0 0
- 1.9915 -0.0059 0.0000 C 0 0 0
- -1.8073 -0.4867 0.0000 C 0 0 0
- 3.1462 -0.6902 0.0000 O 0 0 0
- 2.0053 1.2023 0.0000 O 0 0 0
- -2.9588 0.5208 0.0000 C 0 0 0
- -4.2924 -0.2291 0.0000 C 0 0 0
- -0.1706 -1.5170 0.0000 H 0 0 0
- 1.3496 -1.6747 0.0000 H 0 0 0
- 0.3748 1.0357 0.0000 H 0 0 0
- -1.1454 1.1934 0.0000 H 0 0 0
- -2.6557 -1.2593 0.0000 H 0 0 0
- -1.1355 -1.4170 0.0000 H 0 0 0
- 4.1333 -1.2752 0.0000 H 0 0 0
- -2.1105 1.2935 0.0000 H 0 0 0
- -3.6306 1.4510 0.0000 H 0 0 0
- -4.8548 0.7711 0.0000 H 0 0 0
- -5.2926 -0.7915 0.0000 H 0 0 0
- -3.7300 -1.2293 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 7 8 1 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20562-02-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-134142 1 V2000
- -7.1655 1.2294 -0.4385 C 0 0 2
- -8.5233 1.6021 0.1451 C 0 0 2
- -6.2949 0.9876 0.8236 C 0 0 2
- -6.4718 2.3051 -1.2536 C 0 0 0
- -7.2816 -0.0624 -1.2500 C 0 0 0
- -8.6150 0.8101 1.4904 C 0 0 2
- -9.6392 0.9955 -0.7476 C 0 0 1
- -5.0246 0.2938 0.3633 C 0 0 1
- -7.2307 0.1366 1.6881 C 0 0 0
- -5.1304 1.7233 -1.7256 C 0 0 0
- -9.6097 -0.2395 1.2535 N 0 0 0
- -10.5740 0.3623 0.2946 C 0 0 2
- -10.3764 2.1203 -1.4773 C 0 0 0
- -4.2686 1.2668 -0.5515 C 0 0 2
- -4.1391 -0.0090 1.5770 C 0 0 0
- -10.3963 -0.5468 2.4396 C 0 0 0
- -11.4382 -0.7642 -0.2500 C 0 0 0
- -2.9909 0.6285 -1.0695 C 0 0 2
- -2.8184 -0.5420 1.1030 C 0 0 0
- -11.3482 -1.6997 2.0868 C 0 0 2
- -12.2643 -1.3130 0.9257 C 0 0 0
- -2.3164 -0.2546 -0.0620 C 0 0 0
- -2.0124 1.7134 -1.5292 C 0 0 0
- -3.3434 -0.2230 -2.2908 C 0 0 0
- -12.1967 -2.0529 3.3100 C 0 0 0
- -0.9640 -0.8434 -0.4274 C 0 0 0
- -0.7264 1.0561 -2.0342 C 0 0 0
- -0.0515 0.2960 -0.8912 C 0 0 2
- 1.1908 -0.2439 -1.3463 O 0 0 0
- 2.2241 0.5719 -0.7905 C 0 0 1
- 3.5641 -0.1597 -0.8961 C 0 0 1
- 2.2901 1.8061 -1.5025 O 0 0 0
- 4.6582 0.7084 -0.2645 C 0 0 1
- 3.4829 -1.4050 -0.1999 O 0 0 0
- 3.1995 2.6572 -0.8075 C 0 0 1
- 5.9347 0.1094 -0.4965 O 0 0 0
- 4.6193 2.0962 -0.9144 C 0 0 2
- 4.2532 -2.3476 -0.9484 C 0 0 1
- 3.1572 4.0581 -1.4210 C 0 0 0
- 6.7679 0.4724 0.6062 C 0 0 2
- 4.9862 1.9878 -2.2913 O 0 0 0
- 4.7707 -3.4418 -0.0118 C 0 0 1
- 3.4377 -2.9276 -1.9648 O 0 0 0
- 1.8335 4.5857 -1.3126 O 0 0 0
- 6.8794 1.8929 0.6704 O 0 0 0
- 8.1546 -0.1488 0.4240 C 0 0 1
- 3.5768 -4.1323 0.6572 C 0 0 1
- 5.5148 -4.4011 -0.7654 O 0 0 0
- 2.2577 -3.4272 -1.3386 C 0 0 2
- 7.5608 2.2180 1.8805 C 0 0 1
- 9.0279 0.2167 1.6297 C 0 0 2
- 8.0323 -1.5699 0.3378 O 0 0 0
- 2.6118 -4.6097 -0.4339 C 0 0 2
- 4.0373 -5.2558 1.4107 O 0 0 0
- 1.2660 -3.8842 -2.4103 C 0 0 0
- 9.0125 1.7397 1.8026 C 0 0 2
- 7.5337 3.7334 2.0897 C 0 0 0
- 10.3677 -0.2228 1.3980 O 0 0 0
- 1.4220 -5.1190 0.1720 O 0 0 0
- 9.6944 2.0890 3.0088 O 0 0 0
- 6.1784 4.1787 2.1719 O 0 0 0
- -8.6336 2.5568 0.0000 H 0 0 0
- -5.9336 1.8782 0.0000 H 0 0 0
- -6.0419 3.1646 0.0000 H 0 0 0
- -7.3067 2.7812 0.0000 H 0 0 0
- -8.2388 0.0236 0.0000 H 0 0 0
- -7.3676 -1.0196 0.0000 H 0 0 0
- -6.3244 -0.1484 0.0000 H 0 0 0
- -9.4858 1.2168 0.0000 H 0 0 0
- -9.1396 0.1745 0.0000 H 0 0 0
- -5.4118 -0.5858 0.0000 H 0 0 0
- -7.7570 -0.6676 0.0000 H 0 0 0
- -6.4995 -0.4870 0.0000 H 0 0 0
- -4.3297 2.2548 0.0000 H 0 0 0
- -5.2152 2.6806 0.0000 H 0 0 0
- -11.2332 1.0616 0.0000 H 0 0 0
- -9.5726 2.6471 0.0000 H 0 0 0
- -10.9032 2.9241 0.0000 H 0 0 0
- -11.1802 1.5935 0.0000 H 0 0 0
- -3.8289 2.1214 0.0000 H 0 0 0
- -3.3928 0.5965 0.0000 H 0 0 0
- -4.3074 0.9372 0.0000 H 0 0 0
- -10.4138 0.4141 0.0000 H 0 0 0
- -11.3036 -0.2299 0.0000 H 0 0 0
- -11.2730 -1.7109 0.0000 H 0 0 0
- -10.5049 -0.9934 0.0000 H 0 0 0
- -2.7529 -1.5008 0.0000 H 0 0 0
- -10.7762 -2.4720 0.0000 H 0 0 0
- -12.9411 -0.6307 0.0000 H 0 0 0
- -12.8025 -2.1092 0.0000 H 0 0 0
- -1.5022 2.5278 0.0000 H 0 0 0
- -2.7794 2.2925 0.0000 H 0 0 0
- -4.2314 0.1446 0.0000 H 0 0 0
- -3.7110 -1.1110 0.0000 H 0 0 0
- -2.4554 -0.5906 0.0000 H 0 0 0
- -12.5660 -1.1656 0.0000 H 0 0 0
- -13.0840 -2.4222 0.0000 H 0 0 0
- -11.8274 -2.9402 0.0000 H 0 0 0
- -1.4238 -1.6873 0.0000 H 0 0 0
- -0.1638 -1.3757 0.0000 H 0 0 0
- 0.1839 1.3644 0.0000 H 0 0 0
- -0.6563 2.0146 0.0000 H 0 0 0
- 0.5126 1.0741 0.0000 H 0 0 0
- 1.3707 1.0140 0.0000 H 0 0 0
- 4.4154 -0.6057 0.0000 H 0 0 0
- 3.7871 1.1143 0.0000 H 0 0 0
- 2.3121 3.0263 0.0000 H 0 0 0
- 4.9323 3.0048 0.0000 H 0 0 0
- 5.0657 -1.8343 0.0000 H 0 0 0
- 4.1128 3.9561 0.0000 H 0 0 0
- 3.3883 4.9910 0.0000 H 0 0 0
- 6.7630 -0.4886 0.0000 H 0 0 0
- 5.9079 1.7155 0.0000 H 0 0 0
- 5.5896 -2.9389 0.0000 H 0 0 0
- 0.9407 4.9415 0.0000 H 0 0 0
- 8.1665 0.8122 0.0000 H 0 0 0
- 3.1229 -3.2852 0.0000 H 0 0 0
- 6.1038 -5.1605 0.0000 H 0 0 0
- 1.8692 -2.5482 0.0000 H 0 0 0
- 7.6217 1.2589 0.0000 H 0 0 0
- 9.0660 -0.7436 0.0000 H 0 0 0
- 7.9499 -2.5274 0.0000 H 0 0 0
- 3.0141 -5.4825 0.0000 H 0 0 0
- 4.4018 -6.1451 0.0000 H 0 0 0
- 0.8638 -3.0114 0.0000 H 0 0 0
- 0.3932 -4.2864 0.0000 H 0 0 0
- 1.6682 -4.7570 0.0000 H 0 0 0
- 8.9380 2.6979 0.0000 H 0 0 0
- 8.4905 3.6433 0.0000 H 0 0 0
- 7.7300 4.6742 0.0000 H 0 0 0
- 11.2809 -0.5224 0.0000 H 0 0 0
- 0.5385 -5.4972 0.0000 H 0 0 0
- 10.5498 2.5272 0.0000 H 0 0 0
- 5.2654 4.4787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 18 24 1 0
- 20 25 1 0
- 22 26 1 0
- 23 27 1 0
- 26 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 30 32 1 0
- 31 33 1 0
- 31 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 1 0
- 34 38 1 0
- 35 39 1 0
- 36 40 1 0
- 37 41 1 0
- 38 42 1 0
- 38 43 1 0
- 39 44 1 0
- 40 45 1 0
- 40 46 1 0
- 42 47 1 0
- 42 48 1 0
- 43 49 1 0
- 45 50 1 0
- 46 51 1 0
- 46 52 1 0
- 47 53 1 0
- 47 54 1 0
- 49 55 1 0
- 50 56 1 0
- 50 57 1 0
- 51 58 1 0
- 53 59 1 0
- 56 60 1 0
- 57 61 1 0
- 6 9 1 0
- 10 14 1 0
- 11 12 1 0
- 19 22 2 0
- 20 21 1 0
- 27 28 1 0
- 35 37 1 0
- 49 53 1 0
- 51 56 1 0
- 2 62 1 0
- 3 63 1 0
- 4 64 1 0
- 4 65 1 0
- 5 66 1 0
- 5 67 1 0
- 5 68 1 0
- 6 69 1 0
- 7 70 1 0
- 8 71 1 0
- 9 72 1 0
- 9 73 1 0
- 10 74 1 0
- 10 75 1 0
- 12 76 1 0
- 13 77 1 0
- 13 78 1 0
- 13 79 1 0
- 14 80 1 0
- 15 81 1 0
- 15 82 1 0
- 16 83 1 0
- 16 84 1 0
- 17 85 1 0
- 17 86 1 0
- 19 87 1 0
- 20 88 1 0
- 21 89 1 0
- 21 90 1 0
- 23 91 1 0
- 23 92 1 0
- 24 93 1 0
- 24 94 1 0
- 24 95 1 0
- 25 96 1 0
- 25 97 1 0
- 25 98 1 0
- 26 99 1 0
- 26100 1 0
- 27101 1 0
- 27102 1 0
- 28103 1 0
- 30104 1 0
- 31105 1 0
- 33106 1 0
- 35107 1 0
- 37108 1 0
- 38109 1 0
- 39110 1 0
- 39111 1 0
- 40112 1 0
- 41113 1 0
- 42114 1 0
- 44115 1 0
- 46116 1 0
- 47117 1 0
- 48118 1 0
- 49119 1 0
- 50120 1 0
- 51121 1 0
- 52122 1 0
- 53123 1 0
- 54124 1 0
- 55125 1 0
- 55126 1 0
- 55127 1 0
- 56128 1 0
- 57129 1 0
- 57130 1 0
- 58131 1 0
- 59132 1 0
- 60133 1 0
- 61134 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-301-13-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 78 1 V2000
- 0.1038 -0.2550 -0.4745 P 0 0 0
- -0.8619 -1.2991 0.2800 O 0 0 0
- -0.3840 1.0245 0.3723 O 0 0 0
- 1.3861 -0.5555 0.4514 O 0 0 0
- -1.9512 -1.5680 -0.6049 C 0 0 0
- -0.4246 2.1286 -0.5340 C 0 0 0
- 2.5036 -0.7050 -0.4266 C 0 0 0
- -2.9118 -2.5592 0.0551 C 0 0 0
- -0.8833 3.3836 0.2113 C 0 0 0
- 3.7620 -0.9941 0.3942 C 0 0 0
- -4.0781 -2.8471 -0.8923 C 0 0 0
- -2.1697 -3.8618 0.3609 C 0 0 0
- -0.9268 4.5657 -0.7590 C 0 0 0
- -2.2789 3.1497 0.7931 C 0 0 0
- 4.9585 -1.1542 -0.5458 C 0 0 0
- 4.0212 0.1670 1.3563 C 0 0 0
- -5.3967 -2.5005 -0.1980 C 0 0 0
- -2.3525 -4.2183 1.8375 C 0 0 0
- -0.0250 5.6865 -0.2381 C 0 0 0
- -2.2400 3.3523 2.3091 C 0 0 0
- 5.5173 -2.5732 -0.4229 C 0 0 0
- 4.1628 -0.3730 2.7808 C 0 0 0
- -6.5673 -2.8906 -1.1026 C 0 0 0
- -0.1530 6.9091 -1.1490 C 0 0 0
- 6.7788 -2.7005 -1.2793 C 0 0 0
- -7.8859 -2.5439 -0.4082 C 0 0 0
- 0.7488 8.0299 -0.6281 C 0 0 0
- 7.3376 -4.1195 -1.1564 C 0 0 0
- -1.8591 -0.6040 0.0000 H 0 0 0
- -2.8304 -1.1621 0.0000 H 0 0 0
- 0.4739 1.7673 0.0000 H 0 0 0
- 0.2710 2.8024 0.0000 H 0 0 0
- 3.1410 0.0240 0.0000 H 0 0 0
- 2.1628 0.2014 0.0000 H 0 0 0
- -3.3943 -1.7196 0.0000 H 0 0 0
- 0.0670 3.5699 0.0000 H 0 0 0
- 3.5892 -1.9469 0.0000 H 0 0 0
- -4.6363 -3.6384 0.0000 H 0 0 0
- -3.5319 -3.6467 0.0000 H 0 0 0
- -1.4088 -4.4608 0.0000 H 0 0 0
- -1.4359 -3.2299 0.0000 H 0 0 0
- -1.4798 5.3607 0.0000 H 0 0 0
- -1.8453 4.2590 0.0000 H 0 0 0
- -3.2448 3.2185 0.0000 H 0 0 0
- -2.2329 2.1824 0.0000 H 0 0 0
- 5.9065 -0.9563 0.0000 H 0 0 0
- 4.9233 -0.1865 0.0000 H 0 0 0
- 4.8086 0.7307 0.0000 H 0 0 0
- 3.2136 0.7014 0.0000 H 0 0 0
- -4.8598 -1.6946 0.0000 H 0 0 0
- -5.9846 -1.7310 0.0000 H 0 0 0
- -3.2142 -3.7764 0.0000 H 0 0 0
- -2.7944 -5.0800 0.0000 H 0 0 0
- -1.4908 -4.6602 0.0000 H 0 0 0
- 0.5457 4.9042 0.0000 H 0 0 0
- 0.8788 6.0342 0.0000 H 0 0 0
- -1.2890 3.1697 0.0000 H 0 0 0
- -2.0574 4.3033 0.0000 H 0 0 0
- -3.1910 3.5349 0.0000 H 0 0 0
- 4.5715 -2.7813 0.0000 H 0 0 0
- 5.5734 -3.5400 0.0000 H 0 0 0
- 3.2261 -0.6186 0.0000 H 0 0 0
- 4.4084 -1.3097 0.0000 H 0 0 0
- 5.0995 -0.1274 0.0000 H 0 0 0
- -7.1043 -3.6965 0.0000 H 0 0 0
- -5.9794 -3.6601 0.0000 H 0 0 0
- -0.7237 7.6914 0.0000 H 0 0 0
- -1.0568 6.5614 0.0000 H 0 0 0
- 7.7246 -2.4924 0.0000 H 0 0 0
- 6.7227 -1.7337 0.0000 H 0 0 0
- -7.6397 -1.6073 0.0000 H 0 0 0
- -8.8225 -2.2977 0.0000 H 0 0 0
- -8.1321 -3.4805 0.0000 H 0 0 0
- 1.5033 7.4228 0.0000 H 0 0 0
- 1.3559 8.7844 0.0000 H 0 0 0
- -0.0057 8.6370 0.0000 H 0 0 0
- 6.4366 -4.4743 0.0000 H 0 0 0
- 7.6924 -5.0205 0.0000 H 0 0 0
- 8.2386 -3.7647 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 16 22 1 0
- 17 23 1 0
- 19 24 1 0
- 21 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 8 35 1 0
- 9 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 15 46 1 0
- 15 47 1 0
- 16 48 1 0
- 16 49 1 0
- 17 50 1 0
- 17 51 1 0
- 18 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 20 58 1 0
- 20 59 1 0
- 21 60 1 0
- 21 61 1 0
- 22 62 1 0
- 22 63 1 0
- 22 64 1 0
- 23 65 1 0
- 23 66 1 0
- 24 67 1 0
- 24 68 1 0
- 25 69 1 0
- 25 70 1 0
- 26 71 1 0
- 26 72 1 0
- 26 73 1 0
- 27 74 1 0
- 27 75 1 0
- 27 76 1 0
- 28 77 1 0
- 28 78 1 0
- 28 79 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28149-15-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.3999 -0.6991 0.0096 C 0 0 0
- -1.8832 -0.6642 -0.0121 C 0 0 0
- 0.0969 0.5881 -0.1745 C 0 0 0
- 0.4918 -1.7597 0.1813 C 0 0 0
- -2.3134 0.6448 -0.2099 C 0 0 0
- -2.8284 -1.6824 0.1273 C 0 0 0
- -1.0852 1.5142 -0.3242 C 0 0 0
- 1.4574 0.8120 -0.1918 C 0 0 0
- 1.8510 -1.5265 0.1617 C 0 0 0
- -3.6608 0.9322 -0.2677 C 0 0 0
- -4.1740 -1.3855 0.0685 C 0 0 0
- -1.0783 2.4708 0.7373 O 0 0 0
- 2.3354 -0.2443 -0.0259 C 0 0 0
- -4.5919 -0.0816 -0.1291 C 0 0 0
- 3.7954 -0.0015 -0.0454 N 0 3 0
- 4.5693 -0.9307 0.1006 O 0 0 0
- 4.2230 1.1274 -0.2074 O 0 5 0
- 0.1366 -2.7302 0.0000 H 0 0 0
- -2.5203 -2.6689 0.0000 H 0 0 0
- -0.1544 1.9633 0.0000 H 0 0 0
- 1.8187 1.7803 0.0000 H 0 0 0
- 2.5086 -2.3237 0.0000 H 0 0 0
- -3.9750 1.9168 0.0000 H 0 0 0
- -4.8700 -2.1495 0.0000 H 0 0 0
- -1.0708 3.5042 0.0000 H 0 0 0
- -5.6013 0.1403 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 10 14 2 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 5 7 1 0
- 9 13 1 0
- 11 14 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76919-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -1.7579 0.7600 0.0019 C 0 0 0
- -1.8832 -0.6487 0.0095 C 0 0 0
- -0.4471 1.2859 0.0604 C 0 0 0
- -3.0384 1.4383 -0.0610 C 0 0 0
- -0.7866 -1.4814 0.0707 C 0 0 0
- -3.6379 -0.8859 -0.0727 S 0 0 0
- 0.6344 0.4403 0.1210 C 0 0 0
- -4.1366 0.7478 -0.1031 N 0 0 0
- 0.4715 -0.9438 0.1265 C 0 0 0
- 1.8880 0.9643 0.1768 O 0 0 0
- 2.7947 -0.1389 0.2314 C 0 0 0
- 4.2311 0.3843 0.2960 C 0 0 0
- 5.2019 -0.7968 0.3546 C 0 0 0
- 4.9549 -0.0685 -0.8499 O 0 0 0
- -0.2992 2.3277 0.0000 H 0 0 0
- -3.0774 2.4898 0.0000 H 0 0 0
- -0.9155 -2.5257 0.0000 H 0 0 0
- 1.3142 -1.5739 0.0000 H 0 0 0
- 1.9117 -0.7112 0.0000 H 0 0 0
- 3.2639 -1.0808 0.0000 H 0 0 0
- 4.3412 1.4308 0.0000 H 0 0 0
- 4.7164 -1.7304 0.0000 H 0 0 0
- 6.2511 -0.8770 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 6 8 1 0
- 7 9 2 0
- 13 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-59-31-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.2944 0.5863 -0.0029 C 0 0 0
- -0.5753 -0.8019 -0.0009 C 0 0 0
- 0.9744 1.0098 -0.0022 N 0 0 0
- -1.3626 1.4998 0.0003 C 0 0 0
- 0.4955 -1.7178 0.0014 C 0 0 0
- -1.9091 -1.2397 -0.0007 C 0 0 0
- 1.9780 0.1592 0.0004 C 0 0 0
- -2.6441 1.0409 0.0051 C 0 0 0
- 1.7665 -1.2247 0.0015 C 0 0 0
- -2.9180 -0.3250 -0.0025 C 0 0 0
- 3.2478 0.6343 0.0006 O 0 0 0
- -1.1757 2.5164 0.0000 H 0 0 0
- 0.3219 -2.7368 0.0000 H 0 0 0
- -2.1242 -2.2507 0.0000 H 0 0 0
- -3.4263 1.7166 0.0000 H 0 0 0
- 2.5727 -1.8716 0.0000 H 0 0 0
- -3.8998 -0.6484 0.0000 H 0 0 0
- 4.2159 0.9965 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106671-90-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.6273 0.2508 0.0379 C 0 0 0
- -1.5245 -0.8976 -0.1209 C 0 0 0
- 0.8500 0.2244 0.0332 C 0 0 0
- -1.3995 1.3176 0.1806 N 0 0 0
- -2.8328 -0.3698 -0.0477 N 0 0 0
- -1.1841 -2.1514 -0.2941 N 0 0 0
- 1.5681 1.2382 -0.6060 C 0 0 0
- 1.5353 -0.8111 0.6728 C 0 0 0
- -2.6711 0.9712 0.1297 C 0 0 0
- -4.1205 -0.8456 -0.1137 C 0 0 0
- -2.0446 -3.0053 -0.4122 O 0 0 0
- 2.9467 1.2072 -0.6065 C 0 0 0
- 2.9145 -0.8295 0.6645 C 0 0 0
- -4.2946 1.5656 0.2056 S 0 0 0
- -5.1406 0.0077 0.0043 C 0 0 0
- 3.6191 0.1748 0.0245 C 0 0 0
- 5.0991 0.1481 0.0193 N 0 3 0
- 5.6937 -0.7589 0.5736 O 0 0 0
- 5.7223 1.0332 -0.5392 O 0 5 0
- 1.1199 2.1293 0.0000 H 0 0 0
- 1.0573 -1.6866 0.0000 H 0 0 0
- -4.2906 -1.8284 0.0000 H 0 0 0
- 3.4319 2.0787 0.0000 H 0 0 0
- 3.3688 -1.7175 0.0000 H 0 0 0
- -6.1204 -0.1791 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 9 1 0
- 13 16 2 0
- 14 15 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.6524 0.0150 -0.0021 C 0 0 0
- -0.6524 0.0150 -0.0016 C 0 0 0
- 1.3952 1.2894 -0.0006 C 0 0 0
- 1.4023 -1.2539 0.0021 C 0 0 0
- -1.3952 1.2894 0.0004 C 0 0 0
- -1.4023 -1.2539 -0.0025 C 0 0 0
- 0.7392 2.4253 0.0015 C 0 0 0
- 2.8671 1.2220 -0.0012 C 0 0 0
- 0.6598 -2.5256 0.0072 C 0 0 0
- 2.7142 -1.2190 0.0016 C 0 0 0
- -0.7392 2.4253 0.0016 C 0 0 0
- -2.8670 1.2220 0.0015 C 0 0 0
- -0.6598 -2.5256 -0.0042 C 0 0 0
- -2.7143 -1.2189 -0.0014 C 0 0 0
- 3.4589 0.0467 -0.0029 C 0 0 0
- -3.4589 0.0467 0.0007 C 0 0 0
- 1.2898 3.3792 0.0000 H 0 0 0
- 3.4661 2.1463 0.0000 H 0 0 0
- 1.2082 -3.4808 0.0000 H 0 0 0
- 3.2736 -2.1677 0.0000 H 0 0 0
- -1.2898 3.3792 0.0000 H 0 0 0
- -3.4660 2.1463 0.0000 H 0 0 0
- -1.2082 -3.4808 0.0000 H 0 0 0
- -3.2738 -2.1676 0.0000 H 0 0 0
- 4.5597 0.0107 0.0000 H 0 0 0
- -4.5597 0.0108 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 12 16 2 0
- 7 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6000-43-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 10 1 V2000
- -3.0246 0.2082 -0.2076 C 0 0 0
- -3.9316 -0.9947 -0.1698 C 0 0 0
- -1.8792 0.1635 -0.9061 O 0 0 0
- -3.3308 1.2146 0.3867 O 0 0 0
- -5.1097 -0.6939 0.6547 N 0 0 0
- 6.7275 -0.0813 0.1035 Cl 0 0 0
- -4.2618 -1.8167 0.0000 H 0 0 0
- -3.1603 -1.4303 0.0000 H 0 0 0
- -0.9941 0.1290 0.0000 H 0 0 0
- -5.3491 0.1590 0.0000 H 0 0 0
- -5.7286 -1.3276 0.0000 H 0 0 0
- 7.6133 -0.0813 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6098-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -1.6280 0.4687 0.4170 C 0 0 0
- -3.0946 0.2690 0.3152 C 0 0 0
- -0.9825 -0.3636 -0.4945 C 0 0 0
- -0.8712 1.3136 1.2330 C 0 0 0
- -3.3661 -0.6878 -0.6595 C 0 0 0
- -4.1525 0.8614 1.0072 C 0 0 0
- -2.0452 -1.1441 -1.2289 C 0 0 0
- 0.3915 -0.3589 -0.5892 C 0 0 0
- 0.5028 1.3160 1.1376 C 0 0 0
- -4.6678 -1.0462 -0.9376 C 0 0 0
- -5.4521 0.4967 0.7218 C 0 0 0
- 1.1416 0.4801 0.2280 C 0 0 0
- -5.7117 -0.4551 -0.2475 C 0 0 0
- 2.5339 0.4853 0.1332 N 0 0 0
- 3.1979 -0.2090 0.8819 O 0 0 0
- 3.1438 1.2587 -0.7868 C 0 0 0
- 3.4143 -1.4967 0.5850 C 0 0 0
- 4.0647 2.3679 -0.3478 C 0 0 0
- 2.9513 1.0619 -1.9687 O 0 0 0
- 4.2359 -2.3557 1.5113 C 0 0 0
- 2.9493 -1.9714 -0.4292 O 0 0 0
- -1.2389 2.1347 0.0000 H 0 0 0
- -4.0462 1.7548 0.0000 H 0 0 0
- -2.5033 -1.9185 0.0000 H 0 0 0
- -1.3782 -1.7479 0.0000 H 0 0 0
- 0.7603 -1.1796 0.0000 H 0 0 0
- 0.9008 2.1229 0.0000 H 0 0 0
- -4.7784 -1.9391 0.0000 H 0 0 0
- -6.0906 1.1306 0.0000 H 0 0 0
- -6.5423 -0.8010 0.0000 H 0 0 0
- 4.7569 1.7932 0.0000 H 0 0 0
- 4.6394 3.0601 0.0000 H 0 0 0
- 3.3725 2.9426 0.0000 H 0 0 0
- 3.5857 -2.9776 0.0000 H 0 0 0
- 4.8578 -3.0059 0.0000 H 0 0 0
- 4.8861 -1.7338 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 13 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-88-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.8035 0.1332 0.0035 C 0 0 0
- 0.0626 -0.9448 0.0030 C 0 0 0
- -0.3072 1.4236 0.0017 C 0 0 0
- -2.2659 -0.0950 -0.0003 N 0 3 0
- 1.4315 -0.7338 0.0008 C 0 0 0
- 1.0576 1.6427 -0.0005 C 0 0 0
- -3.0302 0.8533 0.0001 O 0 0 0
- -2.7049 -1.2311 -0.0038 O 0 5 0
- 1.9325 0.5661 -0.0010 C 0 0 0
- 2.2845 -1.7932 0.0008 O 0 0 0
- 3.3149 0.7854 -0.0028 N 0 0 0
- -0.3129 -1.9115 0.0000 H 0 0 0
- -0.9605 2.2291 0.0000 H 0 0 0
- 1.4274 2.6116 0.0000 H 0 0 0
- 2.9349 -2.6010 0.0000 H 0 0 0
- 3.9678 -0.0204 0.0000 H 0 0 0
- 3.6863 1.7537 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15950-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 1.0571 0.0109 -0.0020 C 0 0 0
- -0.2948 -0.2836 -0.0011 C 0 0 0
- 1.4776 1.3335 -0.0013 C 0 0 0
- 2.2260 -1.2726 0.0032 Cl 0 0 0
- -1.2265 0.7406 0.0005 C 0 0 0
- -0.8229 -1.9373 -0.0026 Cl 0 0 0
- 0.5415 2.3571 0.0003 C 0 0 0
- 2.8053 1.6255 -0.0026 O 0 0 0
- -0.8076 2.0592 0.0007 C 0 0 0
- -2.9224 0.3697 0.0016 Cl 0 0 0
- 0.8550 3.3481 0.0000 H 0 0 0
- 3.8204 1.8488 0.0000 H 0 0 0
- -1.5086 2.8266 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 9 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-873-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -2.3224 -0.2069 -0.2615 C 0 0 0
- -1.5765 -1.3533 -0.0619 C 0 0 0
- -1.6923 1.0196 -0.3625 C 0 0 0
- -3.8226 -0.2946 -0.3751 C 0 0 0
- -0.1999 -1.2740 0.0367 C 0 0 0
- -0.3161 1.0998 -0.2641 C 0 0 0
- -4.4250 0.4841 0.6606 O 0 0 0
- 0.4309 -0.0473 -0.0644 C 0 0 0
- 2.3139 0.0619 0.0711 Br 0 0 0
- -2.0432 -2.2762 0.0000 H 0 0 0
- -2.2566 1.8862 0.0000 H 0 0 0
- -4.7500 -0.7522 0.0000 H 0 0 0
- -3.5583 -1.2944 0.0000 H 0 0 0
- 0.3640 -2.1409 0.0000 H 0 0 0
- 0.1501 2.0229 0.0000 H 0 0 0
- -5.0578 1.3021 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-06-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.9336 -0.0423 0.0020 C 0 0 0
- -0.2274 -1.2305 0.0013 C 0 0 0
- -0.3041 1.1163 0.0011 N 0 0 0
- -2.4403 -0.0713 -0.0025 C 0 0 0
- 1.1584 -1.1928 -0.0004 C 0 0 0
- 1.0127 1.1902 -0.0005 C 0 0 0
- 1.7849 0.0444 -0.0013 C 0 0 0
- -0.7277 -2.1384 0.0000 H 0 0 0
- -2.4602 0.9652 0.0000 H 0 0 0
- -3.4768 -0.0912 0.0000 H 0 0 0
- -2.4204 -1.1078 0.0000 H 0 0 0
- 1.7131 -2.0686 0.0000 H 0 0 0
- 1.4737 2.1187 0.0000 H 0 0 0
- 2.8196 0.1088 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13379-35-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.0585 0.5630 0.1888 C 0 0 0
- -1.0615 -0.8353 0.3202 C 0 0 0
- 0.2349 1.2656 0.2998 C 0 0 0
- -2.2404 1.2717 -0.0573 C 0 0 0
- 0.0250 -1.5506 0.6285 O 0 0 0
- -2.2695 -1.5077 0.1349 C 0 0 0
- 1.4127 0.3732 0.1818 C 0 0 0
- 0.3259 2.4677 0.4721 O 0 0 0
- -3.4261 0.5803 -0.2267 C 0 0 0
- -2.2229 2.6264 -0.1285 O 0 0 0
- 1.2125 -1.0042 0.3433 C 0 0 0
- -3.4313 -0.8074 -0.1377 C 0 0 0
- 2.6758 0.8936 -0.0859 C 0 0 0
- 2.3178 -1.8495 0.2026 C 0 0 0
- -4.5928 -1.4849 -0.3214 O 0 0 0
- 3.7542 0.0369 -0.2111 C 0 0 0
- 3.5633 -1.3339 -0.0698 C 0 0 0
- -5.6035 -0.5089 -0.5823 C 0 0 0
- 4.9940 0.5315 -0.4705 O 0 0 0
- 5.8790 -0.5882 -0.5407 C 0 0 0
- -2.2873 -2.5408 0.0000 H 0 0 0
- -4.3211 1.0967 0.0000 H 0 0 0
- -2.2096 3.6596 0.0000 H 0 0 0
- 2.8202 1.9167 0.0000 H 0 0 0
- 2.1837 -2.8740 0.0000 H 0 0 0
- 4.3806 -1.9661 0.0000 H 0 0 0
- -4.8857 0.2344 0.0000 H 0 0 0
- -6.3468 0.2089 0.0000 H 0 0 0
- -6.3213 -1.2522 0.0000 H 0 0 0
- 5.0684 -1.2289 0.0000 H 0 0 0
- 6.5197 -1.3988 0.0000 H 0 0 0
- 6.6896 0.0525 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 19 20 1 0
- 7 11 2 0
- 9 12 1 0
- 16 17 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 13 24 1 0
- 14 25 1 0
- 17 26 1 0
- 18 27 1 0
- 18 28 1 0
- 18 29 1 0
- 20 30 1 0
- 20 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-481-39-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- 0.6243 -0.7537 0.0021 C 0 0 0
- -0.4418 0.1655 0.0013 C 0 0 0
- 2.0142 -0.2501 0.0010 C 0 0 0
- 0.3605 -2.1173 -0.0018 C 0 0 0
- -0.1507 1.6107 -0.0007 C 0 0 0
- -1.7578 -0.3015 0.0018 C 0 0 0
- 2.2651 1.2030 -0.0010 C 0 0 0
- 2.9458 -1.0301 0.0022 O 0 0 0
- -0.9525 -2.5692 -0.0065 C 0 0 0
- 1.2490 2.0764 -0.0018 C 0 0 0
- -1.0612 2.4160 -0.0018 O 0 0 0
- -2.0014 -1.6754 0.0032 C 0 0 0
- -2.7920 0.5744 0.0015 O 0 0 0
- 1.1487 -2.8020 0.0000 H 0 0 0
- 3.2477 1.5560 0.0000 H 0 0 0
- -1.1467 -3.5951 0.0000 H 0 0 0
- 1.4507 3.1008 0.0000 H 0 0 0
- -2.9840 -2.0283 0.0000 H 0 0 0
- -3.5887 1.2492 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 10 2 0
- 9 12 1 0
- 4 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1447-88-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -3.3693 -1.9931 -0.2575 O 0 0 0
- -2.8126 -0.7576 -0.1654 C 0 0 0
- -1.4210 -0.6123 -0.1245 C 0 0 0
- -3.6177 0.3694 -0.1170 C 0 0 0
- -0.8448 0.6667 -0.0290 C 0 0 0
- -0.5286 -1.7826 -0.1801 C 0 0 0
- -4.9722 0.2397 -0.1619 O 0 0 0
- -3.0425 1.6351 -0.0220 C 0 0 0
- 0.4991 0.7951 0.0089 O 0 0 0
- -1.6652 1.7825 0.0246 C 0 0 0
- -0.9737 -2.9160 -0.2628 O 0 0 0
- 0.8647 -1.5419 -0.1334 C 0 0 0
- -5.4201 0.1137 1.1893 C 0 0 0
- -3.8390 2.7344 0.0250 O 0 0 0
- 1.3222 -0.2640 -0.0416 C 0 0 0
- 2.7784 -0.0335 0.0049 C 0 0 0
- 3.6003 -0.8903 0.7421 C 0 0 0
- 3.3409 1.0392 -0.6929 C 0 0 0
- 4.9597 -0.6714 0.7828 C 0 0 0
- 4.7008 1.2507 -0.6468 C 0 0 0
- 5.5139 0.3995 0.0923 C 0 0 0
- 6.8541 0.6119 0.1355 O 0 0 0
- -3.7881 -2.9224 0.0000 H 0 0 0
- -1.2541 2.7153 0.0000 H 0 0 0
- 1.5206 -2.3222 0.0000 H 0 0 0
- -5.6961 1.0949 0.0000 H 0 0 0
- -6.4013 -0.1623 0.0000 H 0 0 0
- -5.1441 -0.8675 0.0000 H 0 0 0
- -4.4371 3.5598 0.0000 H 0 0 0
- 3.2765 -1.8568 0.0000 H 0 0 0
- 2.7477 1.8682 0.0000 H 0 0 0
- 5.5573 -1.4972 0.0000 H 0 0 0
- 5.0282 2.2160 0.0000 H 0 0 0
- 7.8609 0.7715 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 2 0
- 11 6 2 0
- 12 6 1 0
- 13 7 1 0
- 14 8 1 0
- 15 9 1 0
- 16 15 1 0
- 17 16 2 0
- 18 16 1 0
- 19 17 1 0
- 20 18 2 0
- 21 19 2 0
- 22 21 1 0
- 8 10 1 0
- 12 15 2 0
- 20 21 1 0
- 1 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2589-39-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.3167 -2.6321 0.0044 O 0 0 0
- -0.4363 -1.4223 0.0046 C 0 0 0
- 0.7599 -0.5626 0.0017 C 0 0 0
- -1.7823 -0.8116 0.0015 C 0 0 0
- 0.6214 0.8403 0.0015 C 0 0 0
- 2.0362 -1.1304 -0.0002 C 0 0 0
- -1.9203 0.5876 0.0013 C 0 0 0
- -2.9186 -1.6159 -0.0016 C 0 0 0
- -0.7197 1.4496 0.0040 C 0 0 0
- 1.7616 1.6472 -0.0008 C 0 0 0
- 2.1797 -2.4788 -0.0004 O 0 0 0
- 3.1622 -0.3082 -0.0025 C 0 0 0
- -3.1915 1.1553 -0.0021 C 0 0 0
- -4.1743 -1.0354 -0.0049 C 0 0 0
- -0.8388 2.6595 0.0038 O 0 0 0
- 1.6381 2.9976 -0.0006 O 0 0 0
- 3.0269 1.0616 -0.0028 C 0 0 0
- 4.5377 -0.9239 -0.0041 C 0 0 0
- -4.3099 0.3411 -0.0052 C 0 0 0
- -2.8231 -2.6572 0.0000 H 0 0 0
- 2.2904 -3.5186 0.0000 H 0 0 0
- -3.3007 2.1953 0.0000 H 0 0 0
- -5.0266 -1.6413 0.0000 H 0 0 0
- 1.5429 4.0389 0.0000 H 0 0 0
- 3.8792 1.6674 0.0000 H 0 0 0
- 4.1105 -1.8783 0.0000 H 0 0 0
- 5.4921 -1.3511 0.0000 H 0 0 0
- 4.9649 0.0305 0.0000 H 0 0 0
- -5.2640 0.7691 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 10 1 0
- 17 10 2 0
- 18 12 1 0
- 19 13 2 0
- 7 9 1 0
- 12 17 1 0
- 14 19 1 0
- 8 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-44-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0163 0.4551 -0.0022 C 0 0 0
- -1.0766 -0.3336 -0.0004 N 0 0 0
- -0.1066 1.6622 -0.0011 O 0 0 0
- 1.6000 -0.2561 0.0010 Cl 0 0 0
- -0.9281 -1.7911 -0.0018 C 0 0 0
- -2.4130 0.2666 0.0030 C 0 0 0
- -2.0212 -1.9025 0.0000 H 0 0 0
- -0.8167 -2.8842 0.0000 H 0 0 0
- 0.1650 -1.6797 0.0000 H 0 0 0
- -1.9629 1.2689 0.0000 H 0 0 0
- -3.4153 0.7168 0.0000 H 0 0 0
- -2.8632 -0.7357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 5 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3544-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- -0.7677 -0.1433 -0.0009 C 0 0 0
- -1.7833 0.8198 0.0003 C 0 0 0
- 0.5407 0.2430 0.0004 N 0 0 0
- -1.0971 -1.5025 0.0025 C 0 0 0
- -3.1054 0.4241 -0.0010 C 0 0 0
- 1.4757 -0.6458 -0.0007 N 0 0 0
- -2.4190 -1.8910 0.0070 C 0 0 0
- -3.4275 -0.9347 -0.0035 C 0 0 0
- -4.0946 1.3575 0.0006 O 0 0 0
- 2.7868 -0.2586 0.0006 C 0 0 0
- -4.7643 -1.3330 -0.0048 N 0 0 0
- -3.4562 2.6359 0.0035 C 0 0 0
- 3.8025 -1.2188 -0.0006 C 0 0 0
- 3.1180 1.0988 -0.0029 C 0 0 0
- 5.1227 -0.8208 0.0002 C 0 0 0
- 4.4431 1.4819 -0.0021 C 0 0 0
- 5.4432 0.5257 0.0021 C 0 0 0
- -1.5426 1.8294 0.0000 H 0 0 0
- -0.3458 -2.2186 0.0000 H 0 0 0
- -2.6622 -2.9000 0.0000 H 0 0 0
- -5.5183 -0.6197 0.0000 H 0 0 0
- -5.0050 -2.3426 0.0000 H 0 0 0
- -2.5276 2.1722 0.0000 H 0 0 0
- -2.9925 3.5645 0.0000 H 0 0 0
- -4.3848 3.0996 0.0000 H 0 0 0
- 3.5636 -2.2288 0.0000 H 0 0 0
- 2.3688 1.8171 0.0000 H 0 0 0
- 5.8780 -1.5327 0.0000 H 0 0 0
- 4.6906 2.4899 0.0000 H 0 0 0
- 6.4386 0.8196 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 7 8 2 0
- 16 17 2 0
- 2 18 1 0
- 4 19 1 0
- 7 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6452-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- -1.3877 -0.7972 -0.0111 C 0 0 0
- -2.7264 -0.4173 0.0206 C 0 0 0
- -0.4100 0.1459 0.0523 O 0 0 0
- -1.0536 -2.1385 -0.1015 C 0 0 0
- -3.7187 -1.3817 -0.0438 C 0 0 0
- -3.0595 0.8979 0.1149 O 0 0 0
- 0.8378 -0.5486 -0.0013 C 0 0 0
- -2.0490 -3.0966 -0.1601 C 0 0 0
- -3.3783 -2.7186 -0.1393 C 0 0 0
- -4.4870 0.9628 0.1245 C 0 0 0
- 1.9862 0.4602 0.0661 C 0 0 0
- -4.9237 2.4014 0.2280 C 0 0 0
- 3.3221 -0.2833 0.0087 C 0 0 0
- 1.8945 1.3609 -1.0395 O 0 0 0
- -4.0278 3.3549 0.2924 C 0 0 0
- 4.4247 0.6852 0.0734 N 0 0 0
- 5.6713 -0.0896 0.0141 C 0 0 0
- 6.7624 0.7500 -0.6533 C 0 0 0
- 6.1092 -0.4605 1.4324 C 0 0 0
- -0.0573 -2.4252 0.0000 H 0 0 0
- -4.7164 -1.1000 0.0000 H 0 0 0
- 0.2338 -1.3912 0.0000 H 0 0 0
- 1.6062 -1.2446 0.0000 H 0 0 0
- -1.7979 -4.1024 0.0000 H 0 0 0
- -4.1215 -3.4414 0.0000 H 0 0 0
- -5.5067 0.7758 0.0000 H 0 0 0
- -4.4166 -0.0715 0.0000 H 0 0 0
- 1.0213 0.8392 0.0000 H 0 0 0
- -5.9332 2.6375 0.0000 H 0 0 0
- 2.7181 -1.1259 0.0000 H 0 0 0
- 4.0905 -0.9793 0.0000 H 0 0 0
- 1.7895 2.3923 0.0000 H 0 0 0
- -3.0185 3.1179 0.0000 H 0 0 0
- -4.3272 4.3474 0.0000 H 0 0 0
- 4.3395 1.7184 0.0000 H 0 0 0
- 5.0610 -0.9276 0.0000 H 0 0 0
- 7.3946 -0.0716 0.0000 H 0 0 0
- 7.5840 1.3822 0.0000 H 0 0 0
- 6.1302 1.5716 0.0000 H 0 0 0
- 5.4392 -1.2516 0.0000 H 0 0 0
- 6.9003 -1.1305 0.0000 H 0 0 0
- 6.7792 0.3306 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 1 0
- 12 15 2 0
- 13 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 8 9 2 0
- 4 20 1 0
- 5 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 19 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-500-66-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 0.2814 0.0014 -0.5675 C 0 0 0
- 0.9321 -1.1965 -0.3428 C 0 0 0
- 0.9346 1.1981 -0.3419 C 0 0 0
- -1.1410 0.0029 -1.0653 C 0 0 0
- 2.2440 -1.2006 0.1102 C 0 0 0
- 2.2461 1.1993 0.1110 C 0 0 0
- -2.0989 0.0000 0.1277 C 0 0 0
- 2.9014 -0.0015 0.3372 C 0 0 0
- 2.8837 -2.3791 0.3307 O 0 0 0
- 2.8880 2.3765 0.3327 O 0 0 0
- -3.5430 0.0016 -0.3777 C 0 0 0
- -4.5009 -0.0014 0.8153 C 0 0 0
- -5.9450 0.0002 0.3099 C 0 0 0
- 0.4081 -2.0744 0.0000 H 0 0 0
- 0.4124 2.0771 0.0000 H 0 0 0
- -0.6301 0.8885 0.0000 H 0 0 0
- -1.6537 0.8875 0.0000 H 0 0 0
- -2.6099 -0.8856 0.0000 H 0 0 0
- -1.5862 -0.8846 0.0000 H 0 0 0
- 3.9238 -0.0025 0.0000 H 0 0 0
- 3.3715 -3.2777 0.0000 H 0 0 0
- 3.3775 3.2741 0.0000 H 0 0 0
- -3.0321 0.8872 0.0000 H 0 0 0
- -4.0557 0.8862 0.0000 H 0 0 0
- -5.0118 -0.8870 0.0000 H 0 0 0
- -3.9882 -0.8860 0.0000 H 0 0 0
- -5.9439 1.0226 0.0000 H 0 0 0
- -6.9674 0.0013 0.0000 H 0 0 0
- -5.9461 -1.0222 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 6 8 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 13 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-36840-85-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 4.9083 -0.0585 -0.0010 C 0 0 0
- 3.6840 0.5055 -0.0002 O 0 0 0
- 6.1082 0.7899 -0.0001 C 0 0 0
- 5.0198 -1.2687 0.0027 O 0 0 0
- 2.4985 -0.3328 -0.0010 C 0 0 0
- 7.3169 0.2330 -0.0008 C 0 0 0
- 1.2492 0.5506 0.0001 C 0 0 0
- 0.0000 -0.3327 -0.0008 C 0 0 0
- -1.2492 0.5507 0.0003 C 0 0 0
- -2.4985 -0.3326 -0.0006 C 0 0 0
- -3.6840 0.5057 0.0005 O 0 0 0
- -4.9083 -0.0583 0.0000 C 0 0 0
- -6.1081 0.7902 0.0011 C 0 0 0
- -5.0199 -1.2685 -0.0014 O 0 0 0
- -7.3169 0.2334 0.0006 C 0 0 0
- 6.0083 1.8743 0.0000 H 0 0 0
- 1.7733 -1.1452 0.0000 H 0 0 0
- 3.2237 -1.1452 0.0000 H 0 0 0
- 7.4168 -0.8514 0.0000 H 0 0 0
- 8.2061 0.8617 0.0000 H 0 0 0
- 1.9744 1.3630 0.0000 H 0 0 0
- 0.5240 1.3630 0.0000 H 0 0 0
- -0.7252 -1.1450 0.0000 H 0 0 0
- 0.7252 -1.1451 0.0000 H 0 0 0
- -0.5240 1.3630 0.0000 H 0 0 0
- -1.9744 1.3631 0.0000 H 0 0 0
- -3.2237 -1.1449 0.0000 H 0 0 0
- -1.7733 -1.1450 0.0000 H 0 0 0
- -6.0081 1.8746 0.0000 H 0 0 0
- -8.2060 0.8622 0.0000 H 0 0 0
- -7.4169 -0.8510 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 2 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67910-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.6868 0.6390 0.0127 C 0 0 0
- -2.8565 -0.2580 -0.0008 C 0 0 0
- -0.4134 0.0584 -0.1921 C 0 0 0
- -2.1623 1.9287 0.2348 C 0 0 0
- -4.0198 0.6079 0.2330 C 0 0 0
- -2.6527 -1.5981 -0.2090 C 0 0 0
- -0.3333 -1.2739 -0.3876 C 0 0 0
- 0.8290 0.9112 -0.1923 C 0 0 0
- -3.5307 1.9172 0.3618 C 0 0 0
- -5.3638 0.2043 0.3057 C 0 0 0
- -1.4140 -2.0622 -0.3936 O 0 0 0
- 1.9917 0.0725 -0.4227 O 0 0 0
- -5.6547 -0.9680 0.1689 O 0 0 0
- 3.2166 0.6200 -0.4642 C 0 0 0
- 4.4233 -0.2505 -0.7032 C 0 0 0
- 3.3516 1.8107 -0.3098 O 0 0 0
- 5.3411 -0.1969 0.5197 C 0 0 0
- 4.7717 -1.0895 1.6242 C 0 0 0
- 6.7361 -0.6917 0.1325 C 0 0 0
- -1.5776 2.7750 0.0000 H 0 0 0
- -3.4515 -2.2462 0.0000 H 0 0 0
- 0.5972 -1.7123 0.0000 H 0 0 0
- 1.5224 1.6710 0.0000 H 0 0 0
- 0.1536 1.6870 0.0000 H 0 0 0
- -4.1207 2.7598 0.0000 H 0 0 0
- -6.1086 0.9138 0.0000 H 0 0 0
- 3.6044 -0.8730 0.0000 H 0 0 0
- 4.7800 -1.2153 0.0000 H 0 0 0
- 5.4859 0.8215 0.0000 H 0 0 0
- 3.9045 -0.5363 0.0000 H 0 0 0
- 4.2185 -1.9567 0.0000 H 0 0 0
- 5.6389 -1.6427 0.0000 H 0 0 0
- 6.3922 -1.6612 0.0000 H 0 0 0
- 7.7056 -1.0356 0.0000 H 0 0 0
- 7.0800 0.2778 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 17 18 1 0
- 17 19 1 0
- 5 9 2 0
- 7 11 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 15 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17526-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.1478 0.9432 -0.0895 C 0 0 0
- -0.6657 -0.1505 -0.3336 C 0 0 0
- 1.6113 0.8308 -0.1741 C 0 0 0
- -0.4368 2.2409 0.2534 C 0 0 0
- -2.0545 -0.0130 -0.2456 C 0 0 0
- -0.0575 -1.4818 -0.6927 C 0 0 0
- 2.4059 1.9680 0.0816 C 0 0 0
- 2.2209 -0.3812 -0.5021 C 0 0 0
- -1.8169 2.3853 0.3362 C 0 0 0
- 0.4468 3.3781 0.5058 C 0 0 0
- -2.6422 1.2824 0.1032 C 0 0 0
- -2.9127 -1.1040 -0.4880 C 0 0 0
- 0.1892 -2.2436 0.5185 O 0 0 0
- 1.7839 3.2423 0.4268 C 0 0 0
- 3.8014 1.8594 0.0004 C 0 0 0
- 3.5936 -0.4562 -0.5734 C 0 0 0
- -4.0455 1.3908 0.1840 C 0 0 0
- -4.2575 -0.9329 -0.3936 C 0 0 0
- 0.7309 -3.4693 0.4418 C 0 0 0
- 4.3750 0.6643 -0.3225 C 0 0 0
- -4.8171 0.2998 -0.0616 C 0 0 0
- 0.9870 -4.2600 1.6989 C 0 0 0
- 1.0133 -3.9387 -0.6352 O 0 0 0
- 0.9594 -1.6584 0.0000 H 0 0 0
- 0.5729 -0.6646 0.0000 H 0 0 0
- 1.6556 -1.2447 0.0000 H 0 0 0
- -2.2303 3.3310 0.0000 H 0 0 0
- 0.0406 4.3269 0.0000 H 0 0 0
- -2.5214 -2.0590 0.0000 H 0 0 0
- 2.3743 4.0889 0.0000 H 0 0 0
- 4.3846 2.7109 0.0000 H 0 0 0
- 4.0459 -1.3839 0.0000 H 0 0 0
- -4.4842 2.3250 0.0000 H 0 0 0
- -4.8702 -1.7634 0.0000 H 0 0 0
- 5.4037 0.5811 0.0000 H 0 0 0
- -5.8446 0.3974 0.0000 H 0 0 0
- 0.0051 -4.5780 0.0000 H 0 0 0
- 1.3050 -5.2419 0.0000 H 0 0 0
- 1.9689 -3.9420 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 15 20 2 0
- 17 21 2 0
- 19 22 1 0
- 19 23 2 0
- 9 11 1 0
- 10 14 2 0
- 16 20 1 0
- 18 21 1 0
- 6 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-71-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.2226 -0.2475 -0.0012 C 0 0 0
- -1.1927 0.1437 -0.0004 C 0 0 0
- 1.1455 0.6611 0.0000 N 0 0 0
- 0.6012 -1.7061 0.0027 C 0 0 0
- -1.5713 1.6024 0.0020 C 0 0 0
- -2.0569 -0.7070 -0.0015 O 0 0 0
- 2.5103 0.2839 -0.0008 O 0 0 0
- -0.4457 -1.9778 0.0000 H 0 0 0
- 0.8729 -2.7530 0.0000 H 0 0 0
- 1.6481 -1.4344 0.0000 H 0 0 0
- -0.5244 1.8741 0.0000 H 0 0 0
- -1.8430 2.6493 0.0000 H 0 0 0
- -2.6182 1.3307 0.0000 H 0 0 0
- 3.5528 -0.0042 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 7 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-52-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 1.3705 -0.3560 -0.0028 C 0 0 0
- 0.0348 -0.7225 -0.0024 C 0 0 0
- 1.7191 0.9929 -0.0010 C 0 0 0
- 2.3393 -1.3105 0.0006 O 0 0 0
- -0.9492 0.2490 -0.0001 C 0 0 0
- 0.7265 1.9620 0.0013 C 0 0 0
- 3.0672 1.3692 -0.0009 N 0 0 0
- 1.6735 -2.5749 0.0041 C 0 0 0
- -0.6041 1.5878 0.0018 C 0 0 0
- -2.3758 -0.1454 -0.0001 N 0 3 0
- -3.2438 0.7089 0.0019 O 0 0 0
- -2.6816 -1.3244 -0.0022 O 0 5 0
- -0.2276 -1.7267 0.0000 H 0 0 0
- 0.9829 2.9678 0.0000 H 0 0 0
- 3.8087 0.6429 0.0000 H 0 0 0
- 3.3254 2.3745 0.0000 H 0 0 0
- 0.7551 -2.0913 0.0000 H 0 0 0
- 1.1899 -3.4933 0.0000 H 0 0 0
- 2.5919 -3.0585 0.0000 H 0 0 0
- -1.3460 2.3137 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67464-46-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.7681 -1.9850 -0.3234 C 0 0 0
- -0.7681 -1.9848 -0.3241 C 0 0 0
- 1.4758 -0.6596 -0.1716 C 0 0 0
- -0.0005 -2.2676 0.8961 N 0 0 0
- -1.4758 -0.6593 -0.1722 C 0 0 0
- 0.7417 0.5135 -0.0378 C 0 0 0
- 2.8558 -0.6212 -0.1672 C 0 0 0
- -0.7416 0.5135 -0.0370 C 0 0 0
- -2.8558 -0.6209 -0.1680 C 0 0 0
- 1.4165 1.7296 0.1012 C 0 0 0
- 3.5163 0.5860 -0.0292 C 0 0 0
- -1.4163 1.7295 0.1026 C 0 0 0
- -3.5162 0.5863 -0.0294 C 0 0 0
- 2.7947 1.7587 0.1050 C 0 0 0
- -2.7945 1.7588 0.1056 C 0 0 0
- 1.4480 -2.7659 0.0000 H 0 0 0
- -1.4482 -2.7655 0.0000 H 0 0 0
- -0.0008 -3.3030 0.0000 H 0 0 0
- 3.3961 -1.5045 0.0000 H 0 0 0
- -3.3961 -1.5041 0.0000 H 0 0 0
- 0.8818 2.6163 0.0000 H 0 0 0
- 4.5514 0.6124 0.0000 H 0 0 0
- -0.8815 2.6161 0.0000 H 0 0 0
- -4.5513 0.6128 0.0000 H 0 0 0
- 3.2902 2.6678 0.0000 H 0 0 0
- -3.2899 2.6680 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 2 4 1 0
- 6 8 1 0
- 11 14 1 0
- 13 15 1 0
- 1 16 1 0
- 2 17 1 0
- 4 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41340-19-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -1.2767 0.2799 -0.2679 C 0 0 0
- 0.2203 0.1833 -0.1018 C 0 0 0
- -1.7252 -0.8241 -1.0581 O 0 0 0
- -1.9491 0.2339 1.1057 C 0 0 0
- -1.6310 1.5915 -0.9715 C 0 0 0
- 0.8934 -0.9781 -0.2897 C 0 0 0
- 1.0981 1.1721 0.2412 N 0 0 0
- -1.3118 -2.0335 -0.4236 C 0 0 0
- -3.4252 -0.0167 0.9343 C 0 0 0
- -1.6873 1.3604 -2.4829 C 0 0 0
- 2.2906 -0.7086 -0.0560 C 0 0 0
- 0.1896 -2.2583 -0.6662 C 0 0 0
- 2.3686 0.6696 0.2788 C 0 0 0
- 0.7328 2.5621 0.5251 C 0 0 0
- -3.9898 -1.1032 1.4842 O 0 0 0
- -4.1004 0.7605 0.3019 O 0 0 0
- 3.4381 -1.5070 -0.1047 C 0 0 0
- 3.5962 1.2603 0.5695 C 0 0 0
- 4.6332 -0.8974 0.1853 C 0 0 0
- 4.7138 0.4459 0.5144 C 0 0 0
- -1.5312 1.1647 0.0000 H 0 0 0
- -2.5735 1.0409 0.0000 H 0 0 0
- -0.8005 2.1842 0.0000 H 0 0 0
- -2.4760 2.1634 0.0000 H 0 0 0
- -2.3174 -2.2062 0.0000 H 0 0 0
- -1.3009 -3.0538 0.0000 H 0 0 0
- -2.6787 1.6019 0.0000 H 0 0 0
- -1.9288 0.3690 0.0000 H 0 0 0
- -0.6959 1.1189 0.0000 H 0 0 0
- -0.0792 -3.2426 0.0000 H 0 0 0
- 1.1354 -2.6412 0.0000 H 0 0 0
- 1.7196 2.8214 0.0000 H 0 0 0
- 0.4735 3.5489 0.0000 H 0 0 0
- -0.2540 2.3028 0.0000 H 0 0 0
- -4.4603 -2.0086 0.0000 H 0 0 0
- 3.3687 -2.5250 0.0000 H 0 0 0
- 3.6885 2.2765 0.0000 H 0 0 0
- 5.4870 -1.4562 0.0000 H 0 0 0
- 5.6367 0.8810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 2 0
- 11 17 1 0
- 13 18 1 0
- 17 19 2 0
- 18 20 2 0
- 8 12 1 0
- 11 13 2 0
- 19 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 8 25 1 0
- 8 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 12 30 1 0
- 12 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.5200 -0.0260 0.0137 P 0 0 0
- -0.3631 -0.6906 -0.6980 S 0 0 0
- 1.7954 -0.6543 1.4702 O 0 0 0
- 2.6754 -0.4998 -1.0024 O 0 0 0
- 1.5190 1.8340 0.1296 S 0 0 0
- -1.4631 0.3335 0.3177 C 0 0 0
- 1.5658 -2.0607 1.3635 C 0 0 0
- 3.8695 0.1847 -0.6182 C 0 0 0
- -2.8973 0.0233 -0.0257 C 0 0 0
- -3.8967 0.6684 0.6080 N 0 0 0
- -3.1523 -0.8069 -0.8722 O 0 0 0
- -5.2909 0.3669 0.2742 C 0 0 0
- -0.5923 0.9531 0.0000 H 0 0 0
- -1.8947 1.3112 0.0000 H 0 0 0
- 0.5110 -1.8885 0.0000 H 0 0 0
- 1.3936 -3.1155 0.0000 H 0 0 0
- 2.6206 -2.2329 0.0000 H 0 0 0
- 4.4010 -0.7425 0.0000 H 0 0 0
- 4.7967 0.7162 0.0000 H 0 0 0
- 3.3380 1.1119 0.0000 H 0 0 0
- -3.7052 1.7199 0.0000 H 0 0 0
- -5.5168 1.4115 0.0000 H 0 0 0
- -6.3355 0.1410 0.0000 H 0 0 0
- -5.0650 -0.6777 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 9 10 1 0
- 9 11 2 0
- 10 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65847-03-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 44 1 V2000
- 1.4903 -1.5296 0.6883 C 0 0 0
- 2.0109 -2.1327 -0.5909 C 0 0 0
- 0.9290 -0.1598 0.4058 C 0 0 0
- 3.2741 -2.4645 -0.6920 C 0 0 0
- -0.4474 0.0013 0.1767 C 0 0 0
- 1.7576 0.9247 0.3781 C 0 0 0
- 3.7947 -3.0677 -1.9711 C 0 0 0
- 4.2067 -2.2431 0.4709 C 0 0 0
- -0.9743 1.2903 -0.0874 C 0 0 0
- -1.3224 -1.1045 0.2043 C 0 0 0
- 1.2484 2.2061 0.1173 C 0 0 0
- 3.1067 1.0266 0.5703 O 0 0 0
- -0.0974 2.3934 -0.1159 C 0 0 0
- -2.2828 1.4578 -0.3073 N 0 0 0
- -0.8638 -2.3556 0.4542 O 0 0 0
- -2.6729 -0.8670 -0.0334 C 0 0 0
- 2.2849 3.0969 0.1488 O 0 0 0
- 3.4789 2.3035 0.0200 C 0 0 0
- -0.5787 3.6406 -0.3670 O 0 0 0
- -3.1281 0.4446 -0.2898 C 0 0 0
- -1.4396 -2.7662 1.6959 C 0 0 0
- -3.8678 -1.7190 -0.0907 C 0 0 0
- -4.4625 0.3660 -0.4804 O 0 0 0
- -4.8936 -0.9033 -0.3615 C 0 0 0
- 0.4760 -1.5022 0.0000 H 0 0 0
- 1.0555 -2.4464 0.0000 H 0 0 0
- 1.4738 -2.9936 0.0000 H 0 0 0
- 3.0265 -3.7307 0.0000 H 0 0 0
- 4.4577 -3.8359 0.0000 H 0 0 0
- 4.5629 -2.4047 0.0000 H 0 0 0
- 4.4411 -3.2304 0.0000 H 0 0 0
- 5.1940 -2.0087 0.0000 H 0 0 0
- 3.9723 -1.2558 0.0000 H 0 0 0
- 4.4195 1.9228 0.0000 H 0 0 0
- 3.9524 3.2009 0.0000 H 0 0 0
- -0.9440 4.5873 0.0000 H 0 0 0
- -2.0287 -1.9400 0.0000 H 0 0 0
- -2.2658 -3.3553 0.0000 H 0 0 0
- -0.8505 -3.5924 0.0000 H 0 0 0
- -3.8944 -2.7334 0.0000 H 0 0 0
- -5.8671 -1.1894 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 6 1 0
- 13 9 2 0
- 14 9 1 0
- 15 10 1 0
- 16 10 2 0
- 17 11 1 0
- 18 12 1 0
- 19 13 1 0
- 20 14 2 0
- 21 15 1 0
- 22 16 1 0
- 23 20 1 0
- 24 22 2 0
- 11 13 1 0
- 17 18 1 0
- 16 20 1 0
- 23 24 1 0
- 1 25 1 0
- 1 26 1 0
- 2 27 1 0
- 7 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 8 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-611-22-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.4128 -0.0179 0.0020 C 0 0 0
- 0.5773 -0.9925 0.0005 C 0 0 0
- -0.0603 1.3256 0.0019 C 0 0 0
- -1.7595 -0.3882 -0.0021 N 0 0 0
- 1.9077 -0.6229 -0.0012 C 0 0 0
- 0.1997 -2.4514 0.0011 C 0 0 0
- 1.2724 1.6883 0.0002 C 0 0 0
- -2.7673 0.6065 -0.0005 O 0 0 0
- 2.2552 0.7158 -0.0014 C 0 0 0
- -0.8003 2.0588 0.0000 H 0 0 0
- -2.0225 -1.3962 0.0000 H 0 0 0
- 2.6506 -1.3532 0.0000 H 0 0 0
- -0.8088 -2.1904 0.0000 H 0 0 0
- -0.0613 -3.4599 0.0000 H 0 0 0
- 1.2082 -2.7124 0.0000 H 0 0 0
- 1.5374 2.6958 0.0000 H 0 0 0
- -3.5087 1.3383 0.0000 H 0 0 0
- 3.2596 0.9920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 9 2 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-357-57-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 61 1 V2000
- -0.2896 0.9987 -0.3411 C 0 0 2
- -1.0226 -0.3248 -0.4041 C 0 0 2
- 1.1543 0.6231 -0.1549 C 0 0 0
- -0.7848 2.0308 0.6409 C 0 0 1
- -0.3927 1.7045 -1.7259 C 0 0 0
- -1.8295 -0.6709 0.8466 C 0 0 1
- 0.0299 -1.3767 -0.3461 N 0 0 0
- 1.2667 -0.7688 -0.2502 C 0 0 0
- 2.2498 1.4367 0.0708 C 0 0 0
- -1.6048 2.9970 -0.1195 N 0 0 0
- -1.5670 1.5304 1.8349 C 0 0 0
- -0.8314 3.1486 -1.3932 C 0 0 0
- -2.6196 0.5324 1.3156 C 0 0 1
- -2.6000 -1.9432 0.6186 C 0 0 2
- -0.3209 -2.6714 -0.2439 C 0 0 0
- 2.5233 -1.3791 -0.1727 C 0 0 0
- 3.4932 0.8186 0.1661 C 0 0 0
- -2.8442 2.3852 -0.5586 C 0 0 0
- -3.3063 1.1497 0.1207 C 0 0 0
- -1.6659 -3.0992 0.2638 C 0 0 0
- -3.6116 -1.8215 -0.3794 O 0 0 0
- 0.4780 -3.5223 -0.5741 O 0 0 0
- 3.6229 -0.5582 0.0369 C 0 0 0
- 4.6009 1.5764 0.3896 O 0 0 0
- -4.2929 0.4607 -0.3954 C 0 0 0
- -4.6154 -0.9232 0.0998 C 0 0 0
- 4.8600 -1.1170 0.1185 O 0 0 0
- 4.1622 2.9336 0.4767 C 0 0 0
- 4.6886 -2.5259 -0.0475 C 0 0 0
- -1.7158 0.4419 0.0000 H 0 0 0
- 0.0823 2.5934 0.0000 H 0 0 0
- 0.5856 1.3710 0.0000 H 0 0 0
- 0.3504 2.4230 0.0000 H 0 0 0
- -1.1513 -1.4509 0.0000 H 0 0 0
- 2.1582 2.4662 0.0000 H 0 0 0
- -1.6792 2.5579 0.0000 H 0 0 0
- -2.5373 1.8864 0.0000 H 0 0 0
- 0.1671 3.4155 0.0000 H 0 0 0
- -1.0644 4.1556 0.0000 H 0 0 0
- -3.4036 -0.1412 0.0000 H 0 0 0
- -3.1005 -2.8475 0.0000 H 0 0 0
- 2.6209 -2.4081 0.0000 H 0 0 0
- -3.0357 3.4009 0.0000 H 0 0 0
- -3.8740 2.4737 0.0000 H 0 0 0
- -2.5439 -3.6445 0.0000 H 0 0 0
- -1.2333 -4.0379 0.0000 H 0 0 0
- -5.1488 1.0401 0.0000 H 0 0 0
- -5.5690 -0.5245 0.0000 H 0 0 0
- -5.1670 -1.7973 0.0000 H 0 0 0
- 5.1457 3.2515 0.0000 H 0 0 0
- 3.8443 3.9171 0.0000 H 0 0 0
- 3.1787 2.6157 0.0000 H 0 0 0
- 3.6626 -2.4011 0.0000 H 0 0 0
- 4.5638 -3.5519 0.0000 H 0 0 0
- 5.7146 -2.6507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 10 18 1 0
- 13 19 1 0
- 14 20 1 0
- 14 21 1 0
- 15 22 2 0
- 16 23 2 0
- 17 24 1 0
- 19 25 2 0
- 21 26 1 0
- 23 27 1 0
- 24 28 1 0
- 27 29 1 0
- 7 8 1 0
- 10 12 1 0
- 11 13 1 0
- 15 20 1 0
- 17 23 1 0
- 18 19 1 0
- 25 26 1 0
- 2 30 1 0
- 4 31 1 0
- 5 32 1 0
- 5 33 1 0
- 6 34 1 0
- 9 35 1 0
- 11 36 1 0
- 11 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 16 42 1 0
- 18 43 1 0
- 18 44 1 0
- 20 45 1 0
- 20 46 1 0
- 25 47 1 0
- 26 48 1 0
- 26 49 1 0
- 28 50 1 0
- 28 51 1 0
- 28 52 1 0
- 29 53 1 0
- 29 54 1 0
- 29 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.9764 0.6156 -0.0028 C 0 0 0
- -2.2035 -0.7839 -0.0013 C 0 0 0
- -0.6586 1.1004 -0.0026 C 0 0 0
- -3.0756 1.4921 0.0014 C 0 0 0
- -1.1058 -1.6617 0.0004 C 0 0 0
- -3.5230 -1.2672 -0.0010 C 0 0 0
- 0.3851 0.2190 -0.0009 C 0 0 0
- -4.3393 0.9872 0.0068 C 0 0 0
- 0.1587 -1.1606 0.0005 C 0 0 0
- -4.5624 -0.3886 -0.0022 C 0 0 0
- 1.6599 0.6893 -0.0011 O 0 0 0
- 2.5209 -0.4512 0.0008 C 0 0 0
- 3.9575 0.0040 0.0007 C 0 0 0
- 4.9485 -0.9014 0.0024 O 0 0 0
- 4.2174 1.1840 -0.0010 O 0 0 0
- -0.4770 2.1315 0.0000 H 0 0 0
- -2.9228 2.5278 0.0000 H 0 0 0
- -1.2608 -2.6971 0.0000 H 0 0 0
- -3.7056 -2.2981 0.0000 H 0 0 0
- -5.1562 1.6420 0.0000 H 0 0 0
- 0.9740 -1.8173 0.0000 H 0 0 0
- -5.5444 -0.7517 0.0000 H 0 0 0
- 1.6194 -0.9835 0.0000 H 0 0 0
- 2.9479 -1.4071 0.0000 H 0 0 0
- 5.7214 -1.6076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 9 2 0
- 8 10 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78448-08-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.9922 0.7654 -0.0026 C 0 0 0
- -0.4519 1.0024 -0.0003 C 0 0 0
- 1.6050 2.0216 -0.0020 C 0 0 0
- 1.8249 -0.4317 0.0002 C 0 0 0
- -1.6236 0.1337 -0.0002 C 0 0 0
- -0.6312 2.3884 0.0016 C 0 0 0
- 0.6143 2.9831 0.0005 N 0 0 0
- 3.0041 2.1139 -0.0038 C 0 0 0
- 3.2330 -0.2813 -0.0029 C 0 0 0
- 1.2675 -1.7154 0.0063 C 0 0 0
- -2.9102 0.7256 0.0020 C 0 0 0
- -1.5034 -1.2600 -0.0031 C 0 0 0
- -1.9278 2.9225 0.0037 C 0 0 0
- 3.7918 1.0113 -0.0062 C 0 0 0
- 4.0449 -1.4267 -0.0003 C 0 0 0
- 2.0852 -2.8066 0.0092 C 0 0 0
- -3.0262 2.1292 0.0035 C 0 0 0
- -4.0480 -0.0975 0.0022 C 0 0 0
- -2.6398 -2.0401 -0.0039 C 0 0 0
- 3.4697 -2.6616 0.0052 C 0 0 0
- -3.9065 -1.4511 0.0003 C 0 0 0
- -2.5269 -3.3943 -0.0072 O 0 0 0
- 0.7840 4.0180 0.0000 H 0 0 0
- 3.4530 3.0617 0.0000 H 0 0 0
- 0.2259 -1.8375 0.0000 H 0 0 0
- -0.5553 -1.7082 0.0000 H 0 0 0
- -2.0506 3.9640 0.0000 H 0 0 0
- 4.8346 1.1224 0.0000 H 0 0 0
- 5.0893 -1.3321 0.0000 H 0 0 0
- 1.6656 -3.7677 0.0000 H 0 0 0
- -3.9788 2.5677 0.0000 H 0 0 0
- -5.0055 0.3303 0.0000 H 0 0 0
- 4.0787 -3.5154 0.0000 H 0 0 0
- -4.7601 -2.0603 0.0000 H 0 0 0
- -2.4398 -4.4394 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 18 21 2 0
- 19 22 1 0
- 6 7 1 0
- 9 14 1 0
- 13 17 2 0
- 16 20 1 0
- 19 21 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13284-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.7520 -1.0075 -0.0988 C 0 0 0
- -0.5388 -1.1347 0.1979 C 0 0 0
- 1.2912 0.3213 -0.5620 C 0 0 0
- -1.4156 -0.0090 0.0770 C 0 0 0
- 2.3738 0.7986 0.4081 C 0 0 0
- -2.1112 0.8840 -0.0190 N 0 0 0
- 1.3343 -1.7867 0.0000 H 0 0 0
- -0.9225 -2.0286 0.0000 H 0 0 0
- 1.1474 1.2834 0.0000 H 0 0 0
- 0.3252 0.4364 0.0000 H 0 0 0
- 2.7662 -0.0915 0.0000 H 0 0 0
- 3.2639 1.1910 0.0000 H 0 0 0
- 1.9814 1.6887 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 3 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-26-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 2.1005 0.0916 0.0340 C 0 0 0
- 0.9837 0.4835 0.6787 N 0 0 0
- 3.0882 -0.7542 0.7215 C 0 0 0
- 2.2892 0.4332 -1.1179 O 0 0 0
- 0.0000 1.3260 -0.0061 C 0 0 0
- 4.1902 -1.1410 0.0853 C 0 0 0
- -0.9834 0.4767 -0.6829 N 0 0 0
- -2.1000 0.0905 -0.0344 C 0 0 0
- -3.0874 -0.7622 -0.7140 C 0 0 0
- -2.2912 0.4470 1.1124 O 0 0 0
- -4.1893 -1.1433 -0.0742 C 0 0 0
- 0.5408 -0.2849 0.0000 H 0 0 0
- 2.6453 -1.5226 0.0000 H 0 0 0
- 0.6099 1.9699 0.0000 H 0 0 0
- -0.6126 1.9674 0.0000 H 0 0 0
- 4.3542 -2.0126 0.0000 H 0 0 0
- 4.8630 -0.5631 0.0000 H 0 0 0
- -0.5407 -0.2918 0.0000 H 0 0 0
- -2.6447 -1.5307 0.0000 H 0 0 0
- -4.8594 -0.5624 0.0000 H 0 0 0
- -4.3573 -2.0141 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 9 11 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-29-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.3161 -0.0268 0.0037 C 0 0 0
- -0.8028 -1.3109 0.0031 C 0 0 0
- -0.4631 1.0611 0.0028 C 0 0 0
- -2.7811 0.1832 -0.0008 N 0 3 0
- 0.5641 -1.5095 0.0015 C 0 0 0
- 0.9050 0.8678 0.0012 C 0 0 0
- -3.2343 1.3138 -0.0002 O 0 0 0
- -3.5336 -0.7745 -0.0050 O 0 5 0
- 1.4224 -0.4193 0.0005 C 0 0 0
- 2.7676 -0.6121 -0.0006 O 0 0 0
- 3.3706 0.6835 -0.0014 C 0 0 0
- 4.8935 0.5372 -0.0027 C 0 0 0
- -1.4446 -2.1254 0.0000 H 0 0 0
- -0.8504 2.0231 0.0000 H 0 0 0
- 0.9485 -2.4726 0.0000 H 0 0 0
- 1.5445 1.6842 0.0000 H 0 0 0
- 3.5858 1.6979 0.0000 H 0 0 0
- 2.3870 1.0120 0.0000 H 0 0 0
- 4.7943 -0.4950 0.0000 H 0 0 0
- 5.9257 0.4380 0.0000 H 0 0 0
- 4.9927 1.5694 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 11 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5306-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.6904 -0.7173 -0.0014 C 0 0 0
- -0.6904 -0.7173 -0.0008 C 0 0 0
- 1.3848 0.4855 -0.0008 C 0 0 0
- 1.4438 -2.0224 0.0036 C 0 0 0
- -1.3848 0.4855 0.0004 C 0 0 0
- -1.4439 -2.0224 -0.0019 C 0 0 0
- 0.6906 1.6878 0.0004 C 0 0 0
- 2.7848 0.4855 -0.0010 N 0 0 0
- -0.6906 1.6878 0.0010 C 0 0 0
- -2.7848 0.4855 0.0006 N 0 0 0
- 0.5417 -2.5432 0.0000 H 0 0 0
- 1.9646 -2.9245 0.0000 H 0 0 0
- 2.3459 -1.5016 0.0000 H 0 0 0
- -2.3460 -1.5016 0.0000 H 0 0 0
- -1.9647 -2.9245 0.0000 H 0 0 0
- -0.5418 -2.5432 0.0000 H 0 0 0
- 1.2114 2.5899 0.0000 H 0 0 0
- 3.3056 -0.4166 0.0000 H 0 0 0
- 3.3056 1.3876 0.0000 H 0 0 0
- -1.2114 2.5899 0.0000 H 0 0 0
- -3.3056 1.3876 0.0000 H 0 0 0
- -3.3056 -0.4166 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 9 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24085-08-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 51 1 V2000
- -3.0530 0.6922 -0.1790 C 0 0 0
- -3.9349 1.0254 0.8566 C 0 0 0
- -1.6033 0.7045 0.0553 C 0 0 0
- -3.5585 0.3417 -1.4370 C 0 0 0
- -5.2828 1.0133 0.6363 C 0 0 0
- -0.6565 0.3455 -1.0609 C 0 0 0
- -1.1679 1.0035 1.1472 O 0 0 0
- -4.9188 0.3271 -1.6469 C 0 0 0
- -5.7852 0.6709 -0.6146 C 0 0 0
- -6.2292 1.3718 1.7529 C 0 0 0
- 0.6903 0.1370 -0.5126 N 0 0 0
- -7.1253 0.6613 -0.8254 O 0 0 0
- -5.4810 1.6831 2.9299 O 0 0 0
- 1.2664 -1.0070 -1.2317 C 0 0 0
- 1.4852 1.3144 -0.8865 C 0 0 0
- 1.0134 -2.2706 -0.4504 C 0 0 0
- 0.8797 2.5637 -0.2436 C 0 0 0
- 2.9236 1.1350 -0.3970 C 0 0 0
- 1.4802 1.4707 -2.4085 C 0 0 0
- 0.1107 -3.2052 -0.9212 C 0 0 0
- 1.6886 -2.4974 0.7346 C 0 0 0
- -0.1214 -4.3644 -0.2043 C 0 0 0
- 1.4567 -3.6562 1.4513 C 0 0 0
- 0.5494 -4.5885 0.9832 C 0 0 0
- 13.4955 1.3529 0.5005 Cl 0 0 0
- -3.7795 1.8983 0.0000 H 0 0 0
- -3.2893 -0.5031 0.0000 H 0 0 0
- -1.3026 -0.2617 0.0000 H 0 0 0
- -0.3941 -0.5015 0.0000 H 0 0 0
- -5.0806 -0.5447 0.0000 H 0 0 0
- -6.7768 2.0691 0.0000 H 0 0 0
- -6.7541 0.6572 0.0000 H 0 0 0
- -8.0119 0.6549 0.0000 H 0 0 0
- -4.6624 2.0237 0.0000 H 0 0 0
- 2.0446 -1.4320 0.0000 H 0 0 0
- 1.9037 -0.3906 0.0000 H 0 0 0
- 1.6776 2.9504 0.0000 H 0 0 0
- 0.4930 3.3616 0.0000 H 0 0 0
- 0.0818 2.1770 0.0000 H 0 0 0
- 2.8139 0.2552 0.0000 H 0 0 0
- 3.8034 1.0253 0.0000 H 0 0 0
- 3.0333 2.0148 0.0000 H 0 0 0
- 2.3664 1.4990 0.0000 H 0 0 0
- 1.4519 2.3569 0.0000 H 0 0 0
- 0.5940 1.4424 0.0000 H 0 0 0
- -0.6746 -2.7935 0.0000 H 0 0 0
- 2.4560 -2.0533 0.0000 H 0 0 0
- -0.8885 -4.8091 0.0000 H 0 0 0
- 2.2412 -4.0693 0.0000 H 0 0 0
- 0.7587 -5.4501 0.0000 H 0 0 0
- 14.3822 1.3529 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 11 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 8 9 2 0
- 23 24 1 0
- 2 26 1 0
- 4 27 1 0
- 6 28 1 0
- 6 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 17 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 19 45 1 0
- 20 46 1 0
- 21 47 1 0
- 22 48 1 0
- 23 49 1 0
- 24 50 1 0
- 25 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6638-64-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.2138 -0.6064 0.0185 C 0 0 0
- -1.6809 -0.7677 0.0321 C 0 0 0
- 0.3261 0.6738 0.2183 C 0 0 0
- 0.6313 -1.6926 -0.1928 C 0 0 0
- -2.4680 0.4053 -0.0099 C 0 0 0
- -2.2976 -2.0096 0.0841 C 0 0 0
- -0.4963 1.7335 0.4283 O 0 0 0
- 1.7024 0.8444 0.2022 C 0 0 0
- 1.9974 -1.5043 -0.2034 C 0 0 0
- -1.7609 1.6988 -0.0607 C 0 0 0
- -3.8545 0.3114 -0.0013 C 0 0 0
- -3.6766 -2.0843 0.0929 C 0 0 0
- 2.5299 -0.2405 -0.0055 C 0 0 0
- -2.2892 2.6920 -0.5220 O 0 0 0
- -4.4491 -0.9333 0.0498 C 0 0 0
- 3.9979 -0.0516 -0.0214 N 0 3 0
- 4.7327 -1.0057 -0.2043 O 0 0 0
- 4.4711 1.0578 0.1484 O 0 5 0
- 0.2413 -2.6515 0.0000 H 0 0 0
- -1.7286 -2.8743 0.0000 H 0 0 0
- 2.1035 1.7987 0.0000 H 0 0 0
- 2.6276 -2.3256 0.0000 H 0 0 0
- -4.4359 1.1679 0.0000 H 0 0 0
- -4.1387 -3.0106 0.0000 H 0 0 0
- -5.4815 -1.0085 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 2 0
- 11 15 2 0
- 13 16 1 0
- 16 17 2 0
- 16 18 1 0
- 7 10 1 0
- 9 13 1 0
- 12 15 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-40-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.0924 -0.0709 0.0641 C 0 0 0
- -2.3004 0.7143 0.0215 C 0 0 0
- 0.2351 0.5630 0.1072 C 0 0 0
- -1.2360 -1.4430 0.0686 C 0 0 0
- -3.4675 0.0421 -0.0161 C 0 0 0
- 1.3453 -0.2001 0.1465 N 0 0 0
- 0.3303 1.7758 0.1073 O 0 0 0
- -2.9528 -1.6627 0.0167 S 0 0 0
- -4.8429 0.5876 -0.0633 N 0 3 0
- 2.6078 0.3965 0.0574 C 0 0 0
- -5.7973 -0.1686 -0.0936 O 0 0 0
- -5.0202 1.7926 -0.0719 O 0 5 0
- 3.7472 -0.3945 -0.0344 C 0 0 0
- 2.7250 1.7798 0.0548 C 0 0 0
- 4.9922 0.1984 -0.1227 C 0 0 0
- 3.6062 -2.1247 -0.0376 Cl 0 0 0
- 3.9729 2.3659 -0.0338 C 0 0 0
- 5.1049 1.5769 -0.1197 C 0 0 0
- -2.2725 1.7512 0.0000 H 0 0 0
- -0.4941 -2.1680 0.0000 H 0 0 0
- 1.2620 -1.2341 0.0000 H 0 0 0
- 1.8736 2.3724 0.0000 H 0 0 0
- 5.8460 -0.3907 0.0000 H 0 0 0
- 4.0608 3.3995 0.0000 H 0 0 0
- 6.0433 2.0190 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 5 8 1 0
- 17 18 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 14 22 1 0
- 15 23 1 0
- 17 24 1 0
- 18 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134514-27-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.7698 0.1510 0.0119 C 0 0 0
- -0.3177 -1.1573 -0.0932 C 0 0 0
- 0.1360 1.1908 0.0995 C 0 0 0
- -2.2228 0.4327 0.0241 N 0 3 0
- 1.0457 -1.4220 -0.1101 C 0 0 0
- -1.2361 -2.2101 -0.1819 N 0 0 0
- 1.4982 0.9282 0.0824 C 0 0 0
- -2.7005 1.2034 -0.7891 O 0 0 0
- -2.9408 -0.1061 0.8473 O 0 5 0
- 1.9522 -0.3822 -0.0225 C 0 0 0
- 2.4167 1.9833 0.1708 N 0 0 0
- 3.2785 -0.6388 -0.0384 F 0 0 0
- -0.2026 2.1732 0.0000 H 0 0 0
- 1.3834 -2.4047 0.0000 H 0 0 0
- -2.2558 -2.0101 0.0000 H 0 0 0
- -0.8995 -3.1932 0.0000 H 0 0 0
- 3.4366 1.7843 0.0000 H 0 0 0
- 2.0791 2.9661 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 10 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6151-25-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -2.7038 2.0130 -0.2990 C 0 0 0
- -3.1672 1.0526 0.6170 C 0 0 0
- -1.6609 1.6218 -1.2607 C 0 0 0
- -3.2270 3.3128 -0.2831 C 0 0 0
- -2.6538 -0.1953 0.5988 O 0 0 0
- -4.1496 1.4018 1.5313 C 0 0 0
- -1.1851 0.2863 -1.2008 C 0 0 0
- -1.2219 2.4154 -2.0778 O 0 0 0
- -4.2017 3.6430 0.6396 C 0 0 0
- -2.7798 4.2406 -1.1669 O 0 0 0
- -1.7008 -0.5677 -0.2727 C 0 0 0
- -4.6664 2.6876 1.5375 C 0 0 0
- -0.2214 -0.1379 -2.0629 O 0 0 0
- -1.1953 -1.9520 -0.2233 C 0 0 0
- -5.6283 3.0211 2.4356 O 0 0 0
- -0.3026 -2.3365 0.7812 C 0 0 0
- -1.6119 -2.8844 -1.1775 C 0 0 0
- 0.1680 -3.6350 0.8228 C 0 0 0
- -1.1382 -4.1779 -1.1296 C 0 0 0
- -0.2474 -4.5579 -0.1354 C 0 0 0
- 1.0369 -4.0123 1.7985 O 0 0 0
- 0.2169 -5.8342 -0.0931 O 0 0 0
- 13.0184 1.0050 -0.1155 O 0 0 0
- 21.4947 2.5696 0.7227 O 0 0 0
- -4.6939 0.8350 0.0000 H 0 0 0
- -4.5046 4.3681 0.0000 H 0 0 0
- -2.4386 4.9485 0.0000 H 0 0 0
- 0.4978 -0.4545 0.0000 H 0 0 0
- -6.3708 3.2785 0.0000 H 0 0 0
- 0.2692 -1.7975 0.0000 H 0 0 0
- -2.3973 -2.8572 0.0000 H 0 0 0
- -1.7082 -4.7189 0.0000 H 0 0 0
- 1.7577 -4.3253 0.0000 H 0 0 0
- 0.4855 -6.5727 0.0000 H 0 0 0
- 12.2326 1.0050 0.0000 H 0 0 0
- 13.8042 1.0050 0.0000 H 0 0 0
- 20.7089 2.5696 0.0000 H 0 0 0
- 22.2805 2.5696 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 20 22 1 0
- 7 11 2 0
- 9 12 1 0
- 19 20 1 0
- 6 25 1 0
- 9 26 1 0
- 10 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
- 23 36 1 0
- 24 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35282-72-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.9037 -0.5738 0.0524 C 0 0 0
- -2.9347 -1.4652 0.3698 C 0 0 0
- -2.2062 0.7531 -0.2715 C 0 0 0
- -0.6064 -0.9962 0.0644 N 0 0 0
- -4.2414 -1.0339 0.3622 C 0 0 0
- -3.5159 1.1769 -0.2769 C 0 0 0
- 0.3427 -0.1731 -0.2284 N 0 0 0
- -4.5384 0.2873 0.0393 C 0 0 0
- 1.6426 -0.5964 -0.2165 C 0 0 0
- -5.8619 0.7199 0.0327 N 0 0 0
- 2.6735 0.2926 -0.5332 C 0 0 0
- 1.9474 -1.9183 0.1181 C 0 0 0
- -6.1766 2.1098 -0.3068 C 0 0 0
- -6.9398 -0.2149 0.3652 C 0 0 0
- 3.9823 -0.1413 -0.5186 C 0 0 0
- 3.2613 -2.3381 0.1285 C 0 0 0
- 4.2762 -1.4537 -0.1913 C 0 0 0
- 5.0953 0.8155 -0.8602 C 0 0 0
- 5.6659 1.6345 0.6413 Cl 0 0 0
- -2.7345 -2.4681 0.0000 H 0 0 0
- -1.4516 1.4435 0.0000 H 0 0 0
- -4.9990 -1.7209 0.0000 H 0 0 0
- -3.7206 2.1789 0.0000 H 0 0 0
- 2.4746 1.2958 0.0000 H 0 0 0
- 1.1950 -2.6110 0.0000 H 0 0 0
- -5.1791 2.3356 0.0000 H 0 0 0
- -6.4024 3.1073 0.0000 H 0 0 0
- -7.1741 1.8840 0.0000 H 0 0 0
- -7.6099 0.5577 0.0000 H 0 0 0
- -7.7124 -0.8850 0.0000 H 0 0 0
- -6.2697 -0.9875 0.0000 H 0 0 0
- 3.4683 -3.3397 0.0000 H 0 0 0
- 5.2480 -1.7724 0.0000 H 0 0 0
- 5.3686 -0.1700 0.0000 H 0 0 0
- 6.1035 0.6435 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 18 19 1 0
- 6 8 2 0
- 16 17 2 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111712-50-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.5318 0.1724 -0.9714 C 0 0 0
- -0.9651 0.2182 -1.2843 C 0 0 0
- 0.9644 1.5031 -0.3524 C 0 0 0
- 0.8921 -1.2874 0.2953 Br 0 0 0
- -1.3976 -1.1125 -1.9033 C 0 0 0
- -1.9724 0.5270 0.3755 Br 0 0 0
- 2.7284 1.4491 0.0164 Cl 0 0 0
- 1.6174 0.1331 0.0000 H 0 0 0
- -0.7877 1.2899 0.0000 H 0 0 0
- 1.1000 2.5809 0.0000 H 0 0 0
- -0.0958 1.7399 0.0000 H 0 0 0
- -2.4307 -0.7767 0.0000 H 0 0 0
- -1.7334 -2.1456 0.0000 H 0 0 0
- -0.3645 -1.4483 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97284-34-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 1.0620 0.0173 -0.0020 C 0 0 0
- -0.3862 -0.2253 -0.0020 C 0 0 0
- 1.5228 1.4186 -0.0010 C 0 0 0
- 1.9039 -0.9880 0.0025 C 0 0 0
- -1.2424 0.7688 -0.0003 C 0 0 0
- -0.8706 -1.6189 -0.0028 C 0 0 0
- 0.4983 2.4777 -0.0002 C 0 0 0
- 2.8087 1.6737 -0.0012 C 0 0 0
- 1.4223 -2.3770 0.0079 C 0 0 0
- 3.3504 -0.6944 0.0025 C 0 0 0
- -0.7818 2.1616 0.0010 C 0 0 0
- -2.6766 0.4211 0.0008 C 0 0 0
- 0.1418 -2.6877 -0.0039 C 0 0 0
- -2.1614 -1.8373 -0.0031 C 0 0 0
- 3.7693 0.5537 -0.0025 C 0 0 0
- -3.0374 -0.8048 0.0005 N 0 0 0
- -3.6160 1.4072 0.0027 O 0 0 0
- 0.7914 3.4972 0.0000 H 0 0 0
- 3.1555 2.6763 0.0000 H 0 0 0
- 2.1357 -3.1622 0.0000 H 0 0 0
- 4.0528 -1.4894 0.0000 H 0 0 0
- -1.5024 2.9402 0.0000 H 0 0 0
- -0.1587 -3.7051 0.0000 H 0 0 0
- -2.5250 -2.8339 0.0000 H 0 0 0
- 4.8105 0.7567 0.0000 H 0 0 0
- -4.3477 2.1753 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 1 0
- 12 16 2 0
- 12 17 1 0
- 7 11 2 0
- 9 13 2 0
- 10 15 2 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-140695-21-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 59 1 V2000
- 5.6338 0.8594 -0.6881 C 0 0 0
- 6.4792 0.8682 0.3554 O 0 0 0
- 6.3418 0.6214 -1.8068 C 0 0 0
- 4.1438 1.0735 -0.6170 C 0 0 0
- 7.7290 0.6377 -0.0789 C 0 0 0
- 7.6925 0.4785 -1.4141 C 0 0 0
- 3.3139 -0.5230 -0.3863 S 0 0 0
- 8.9631 0.5696 0.7833 C 0 0 0
- 1.5853 0.0247 -0.3372 C 0 0 0
- 9.5567 1.9086 0.8954 N 0 0 0
- 0.6716 -1.1872 -0.1440 C 0 0 0
- 10.7484 1.7725 1.7435 C 0 0 0
- -0.7245 -0.7448 -0.1043 N 0 0 0
- -1.7326 -1.6647 0.0624 C 0 0 0
- -3.0427 -1.2496 0.0997 N 0 0 0
- -1.4462 -2.9303 0.1851 N 0 0 0
- -3.3580 0.1811 0.1022 C 0 0 0
- -2.6632 -4.0506 0.2657 S 0 0 0
- -4.8758 0.3688 0.1468 C 0 0 0
- -1.7752 -5.6049 0.5591 C 0 0 0
- -3.3937 -3.6402 1.4133 O 0 0 0
- -3.2206 -4.0046 -1.0406 O 0 0 0
- -5.2001 1.8404 0.1493 C 0 0 0
- -5.4657 -0.2470 -0.9999 O 0 0 0
- -5.3845 2.5087 -1.0472 C 0 0 0
- -5.3183 2.5189 1.3480 C 0 0 0
- -5.6823 3.8575 -1.0476 C 0 0 0
- -5.6160 3.8681 1.3531 C 0 0 0
- -5.7963 4.5418 0.1540 C 0 0 0
- -6.0892 5.8689 0.1564 O 0 0 0
- 6.1245 -0.3744 0.0000 H 0 0 0
- 4.4008 2.0598 0.0000 H 0 0 0
- 3.1925 1.4394 0.0000 H 0 0 0
- 8.2847 -0.3511 0.0000 H 0 0 0
- 8.7848 -0.4340 0.0000 H 0 0 0
- 9.9379 0.2717 0.0000 H 0 0 0
- 2.0008 0.9554 0.0000 H 0 0 0
- 0.7074 0.5426 0.0000 H 0 0 0
- 9.0503 2.7932 0.0000 H 0 0 0
- 0.2561 -2.1179 0.0000 H 0 0 0
- 1.5495 -1.7051 0.0000 H 0 0 0
- 10.6327 0.7598 0.0000 H 0 0 0
- 11.7611 1.6568 0.0000 H 0 0 0
- 10.8641 2.7852 0.0000 H 0 0 0
- -0.9434 0.2507 0.0000 H 0 0 0
- -3.7951 -1.9372 0.0000 H 0 0 0
- -2.3442 0.2865 0.0000 H 0 0 0
- -3.3481 1.2003 0.0000 H 0 0 0
- -4.5340 -0.5915 0.0000 H 0 0 0
- -2.6602 -6.1105 0.0000 H 0 0 0
- -1.2696 -6.4899 0.0000 H 0 0 0
- -0.8902 -5.0993 0.0000 H 0 0 0
- -6.1708 -0.9831 0.0000 H 0 0 0
- -6.3738 2.2632 0.0000 H 0 0 0
- -4.3183 2.7162 0.0000 H 0 0 0
- -6.6830 3.6638 0.0000 H 0 0 0
- -4.6258 4.1097 0.0000 H 0 0 0
- -6.3089 6.8642 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 18 22 2 0
- 19 23 1 0
- 19 24 1 0
- 23 25 1 0
- 23 26 2 0
- 25 27 2 0
- 26 28 1 0
- 27 29 1 0
- 29 30 1 0
- 5 6 2 0
- 28 29 2 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 15 46 1 0
- 17 47 1 0
- 17 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 20 52 1 0
- 24 53 1 0
- 25 54 1 0
- 26 55 1 0
- 27 56 1 0
- 28 57 1 0
- 30 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-671-16-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- -0.7879 0.3500 -0.0905 C 0 0 0
- -2.2321 0.5408 0.1618 C 0 0 0
- 0.0832 1.4394 -0.0362 C 0 0 0
- -0.2888 -0.9211 -0.3784 C 0 0 0
- -3.0705 -0.5131 0.1087 N 0 0 0
- -2.6633 1.6482 0.4173 O 0 0 0
- 1.4295 1.2545 -0.2728 C 0 0 0
- 1.0601 -1.0924 -0.6130 C 0 0 0
- -4.5016 -0.3239 0.3588 C 0 0 0
- 1.9171 -0.0075 -0.5633 C 0 0 0
- -5.2136 -0.0171 -0.9603 C 0 0 0
- -5.0857 -1.5997 0.9688 C 0 0 0
- 3.3892 -0.2021 -0.8206 C 0 0 0
- 4.0729 -0.4968 0.4458 N 0 0 0
- 5.4811 -0.6725 0.1293 N 0 0 0
- 6.2154 0.3457 0.8922 C 0 0 0
- -0.2958 2.3885 0.0000 H 0 0 0
- -0.9166 -1.7275 0.0000 H 0 0 0
- -2.6879 -1.4608 0.0000 H 0 0 0
- 2.0636 2.0560 0.0000 H 0 0 0
- 1.4467 -2.0384 0.0000 H 0 0 0
- -4.2298 0.6613 0.0000 H 0 0 0
- -4.8092 0.9215 0.0000 H 0 0 0
- -6.1522 0.3873 0.0000 H 0 0 0
- -5.6180 -0.9557 0.0000 H 0 0 0
- -6.0149 -1.1743 0.0000 H 0 0 0
- -5.5111 -2.5289 0.0000 H 0 0 0
- -4.1565 -2.0251 0.0000 H 0 0 0
- 4.1493 0.4810 0.0000 H 0 0 0
- 3.0869 0.7741 0.0000 H 0 0 0
- 3.8047 -1.4830 0.0000 H 0 0 0
- 5.8894 -1.6094 0.0000 H 0 0 0
- 7.0443 -0.2521 0.0000 H 0 0 0
- 6.8132 1.1746 0.0000 H 0 0 0
- 5.3865 0.9435 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 8 10 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 16 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146177-57-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.5401 -0.5628 -0.0017 C 0 0 0
- -0.9135 -0.7072 -0.0008 C 0 0 0
- 1.0873 0.7230 -0.0014 C 0 0 0
- 1.5685 -1.4413 0.0026 N 0 0 0
- -1.7138 0.4626 0.0003 C 0 0 0
- -1.4935 -1.9064 -0.0015 N 0 0 0
- 0.2555 1.8454 -0.0003 C 0 0 0
- 2.4613 0.5549 -0.0018 N 0 0 0
- 2.7050 -0.7867 -0.0002 C 0 0 0
- -1.0964 1.7277 0.0010 C 0 0 0
- -3.0458 0.3461 0.0010 N 0 0 0
- -2.8062 -1.9961 -0.0012 C 0 0 0
- 3.4667 1.6205 -0.0017 C 0 0 0
- 3.9566 -1.3671 0.0028 N 0 0 0
- -1.9495 2.9700 0.0017 C 0 0 0
- -3.5962 -0.8477 0.0008 C 0 0 0
- 0.6810 2.7905 0.0000 H 0 0 0
- -3.2570 -2.9294 0.0000 H 0 0 0
- 4.2206 0.9092 0.0000 H 0 0 0
- 4.1780 2.3744 0.0000 H 0 0 0
- 2.7128 2.3318 0.0000 H 0 0 0
- 4.0491 -2.3994 0.0000 H 0 0 0
- 4.8043 -0.7708 0.0000 H 0 0 0
- -1.0951 3.5567 0.0000 H 0 0 0
- -2.5362 3.8244 0.0000 H 0 0 0
- -2.8039 2.3833 0.0000 H 0 0 0
- -4.6289 -0.9360 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 7 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7258-52-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- -0.2391 -0.3196 0.0236 C 0 0 0
- -1.3839 0.4842 0.0590 C 0 0 0
- 1.1041 0.2677 0.0172 C 0 0 0
- -0.3647 -1.7253 -0.0128 C 0 0 0
- -2.6188 -0.0992 0.0646 C 0 0 0
- -1.5212 1.9916 0.0944 C 0 0 0
- 2.2219 -0.5959 -0.0210 C 0 0 0
- 1.2976 1.6499 0.0490 C 0 0 0
- -1.6459 -2.2943 -0.0116 C 0 0 0
- 0.7933 -2.5364 -0.0501 C 0 0 0
- -2.7425 -1.4877 0.0356 C 0 0 0
- -3.6932 0.9686 0.1043 C 0 0 0
- -2.9821 2.2719 -0.3174 C 0 0 0
- 2.0290 -1.9968 -0.0507 C 0 0 0
- 3.5110 -0.0446 -0.0284 C 0 0 0
- 2.5662 2.1559 0.0421 C 0 0 0
- 3.6683 1.3100 0.0022 C 0 0 0
- -0.4697 1.9888 0.0000 H 0 0 0
- -1.4203 3.0382 0.0000 H 0 0 0
- 0.4703 2.2989 0.0000 H 0 0 0
- -1.7594 -3.3396 0.0000 H 0 0 0
- 0.6887 -3.5826 0.0000 H 0 0 0
- -3.7009 -1.9202 0.0000 H 0 0 0
- -4.5647 1.5569 0.0000 H 0 0 0
- -4.3609 0.1563 0.0000 H 0 0 0
- -2.6785 3.2786 0.0000 H 0 0 0
- -3.9521 2.6776 0.0000 H 0 0 0
- 2.8674 -2.6314 0.0000 H 0 0 0
- 4.3537 -0.6735 0.0000 H 0 0 0
- 2.7104 3.1974 0.0000 H 0 0 0
- 4.6366 1.7197 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 15 17 2 0
- 9 11 2 0
- 10 14 2 0
- 12 13 1 0
- 16 17 1 0
- 6 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87633-43-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 1.9702 -0.1952 -0.0524 C 0 0 0
- 0.8131 -0.9952 0.0427 C 0 0 0
- 1.9879 1.2463 -0.2702 C 0 0 0
- 3.2866 -0.6527 0.0526 C 0 0 0
- -0.4551 -0.2492 -0.0720 C 0 0 0
- 1.0345 -2.3403 0.2353 C 0 0 0
- 0.6915 1.9918 -0.4414 C 0 0 0
- 3.2744 1.5801 -0.2779 C 0 0 0
- 4.0641 0.4570 -0.0867 N 0 0 0
- 3.4744 -2.0192 0.2566 C 0 0 0
- -0.4448 1.2206 0.2466 C 0 0 1
- -1.5458 -0.9005 -0.4437 C 0 0 0
- 2.3395 -2.8187 0.3310 C 0 0 0
- 5.5283 0.4632 -0.0378 C 0 0 0
- -1.7088 1.8868 -0.0328 N 0 0 0
- -2.8687 -0.1873 -0.5547 C 0 0 2
- -2.8204 1.0297 0.3776 C 0 0 0
- -1.7561 3.0789 0.8243 C 0 0 0
- -3.9927 -1.1255 -0.1107 C 0 0 0
- -5.2472 -0.4492 -0.2159 O 0 0 0
- -6.2512 -1.3724 0.2104 C 0 0 0
- 0.2303 -3.0058 0.0000 H 0 0 0
- 1.3420 2.8082 0.0000 H 0 0 0
- -0.0178 2.7576 0.0000 H 0 0 0
- 3.6343 2.5599 0.0000 H 0 0 0
- 4.4316 -2.4355 0.0000 H 0 0 0
- 0.4758 0.7286 0.0000 H 0 0 0
- -1.5229 -1.9441 0.0000 H 0 0 0
- 2.4760 -3.8536 0.0000 H 0 0 0
- 5.5327 -0.5806 0.0000 H 0 0 0
- 6.5721 0.4676 0.0000 H 0 0 0
- 5.5239 1.5070 0.0000 H 0 0 0
- -3.8052 0.2737 0.0000 H 0 0 0
- -3.2505 1.9808 0.0000 H 0 0 0
- -3.8450 0.8300 0.0000 H 0 0 0
- -0.7131 3.1203 0.0000 H 0 0 0
- -1.7975 4.1219 0.0000 H 0 0 0
- -2.7991 3.0375 0.0000 H 0 0 0
- -4.6004 -1.9742 0.0000 H 0 0 0
- -3.2277 -1.8357 0.0000 H 0 0 0
- -6.9577 -0.6040 0.0000 H 0 0 0
- -7.0196 -2.0789 0.0000 H 0 0 0
- -5.5447 -2.1408 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 16 17 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 21 41 1 0
- 21 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-29128-23-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.3022 0.0005 0.0038 C 0 0 0
- 0.3964 -1.2048 -0.0073 C 0 0 0
- 0.3976 1.2056 0.0127 C 0 0 0
- -1.7861 0.0012 -0.0002 C 0 0 0
- 1.7768 -1.1995 -0.0094 C 0 0 0
- -0.3402 -2.4887 -0.0174 N 0 3 0
- 1.7776 1.1991 0.0106 C 0 0 0
- -0.3378 2.4901 0.0241 N 0 3 0
- -2.4822 0.0590 -1.2060 C 0 0 0
- -2.4884 -0.0618 1.2014 C 0 0 0
- 2.4662 -0.0007 -0.0004 C 0 0 0
- 0.2664 -3.5397 0.0876 O 0 0 0
- -1.5529 -2.4942 -0.1307 O 0 5 0
- 0.2693 3.5405 -0.0835 O 0 0 0
- -1.5502 2.4967 0.1409 O 0 5 0
- -3.8622 0.0594 -1.2038 C 0 0 0
- -3.8688 -0.0608 1.1919 C 0 0 0
- 3.9464 -0.0013 -0.0027 N 0 3 0
- -4.5546 0.0025 -0.0074 C 0 0 0
- 4.5559 1.0532 0.0052 O 0 0 0
- 4.5550 -1.0564 -0.0124 O 0 5 0
- 2.2968 -2.0944 0.0000 H 0 0 0
- 2.2984 2.0936 0.0000 H 0 0 0
- -2.4392 1.0931 0.0000 H 0 0 0
- -2.4425 -1.0958 0.0000 H 0 0 0
- -3.9045 1.0935 0.0000 H 0 0 0
- -3.9168 -1.0947 0.0000 H 0 0 0
- -5.5896 0.0077 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 8 14 2 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 16 19 1 0
- 18 20 2 0
- 18 21 1 0
- 7 11 1 0
- 17 19 2 0
- 5 22 1 0
- 7 23 1 0
- 9 24 1 0
- 10 25 1 0
- 16 26 1 0
- 17 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-260-94-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -1.1963 0.7650 -0.0029 C 0 0 0
- -1.1588 -0.7008 -0.0009 C 0 0 0
- -0.0001 1.4865 -0.0030 C 0 0 0
- -2.4456 1.4181 0.0010 C 0 0 0
- -0.0001 -1.3504 0.0006 N 0 0 0
- -2.3832 -1.4033 -0.0009 C 0 0 0
- 1.1965 0.7650 -0.0010 C 0 0 0
- -3.5859 0.6800 0.0066 C 0 0 0
- 1.1590 -0.7008 0.0002 C 0 0 0
- -3.5530 -0.7145 -0.0029 C 0 0 0
- 2.4454 1.4179 -0.0004 C 0 0 0
- 2.3829 -1.4032 0.0013 C 0 0 0
- 3.5860 0.6798 0.0019 C 0 0 0
- 3.5532 -0.7143 0.0004 C 0 0 0
- -0.0002 2.5334 0.0000 H 0 0 0
- -2.4941 2.4639 0.0000 H 0 0 0
- -2.3891 -2.4502 0.0000 H 0 0 0
- -4.5114 1.1694 0.0000 H 0 0 0
- -4.4557 -1.2448 0.0000 H 0 0 0
- 2.4939 2.4637 0.0000 H 0 0 0
- 2.3887 -2.4501 0.0000 H 0 0 0
- 4.5115 1.1692 0.0000 H 0 0 0
- 4.4559 -1.2446 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 7 9 1 0
- 8 10 1 0
- 13 14 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-74011-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- 0.3311 0.3391 -0.0923 C 0 0 0
- 0.9549 -0.9157 0.0188 C 0 0 0
- 1.0922 1.4809 -0.1920 N 0 0 0
- -0.9945 0.4152 -0.0948 N 0 0 0
- 2.4243 -0.9808 0.0262 C 0 0 0
- 0.1758 -2.0751 0.1205 C 0 0 0
- 2.4322 1.4650 -0.1888 C 0 0 0
- 0.4075 2.7710 -0.3064 C 0 0 0
- -1.7501 -0.6654 0.0051 C 0 0 0
- 3.1539 0.2941 -0.0852 C 0 0 0
- 3.0130 -2.0439 0.1208 O 0 0 0
- -1.1871 -1.9418 0.1077 C 0 0 0
- 0.1676 3.3466 1.0907 C 0 0 0
- -3.1291 -0.5314 -0.0025 N 0 0 0
- 4.6234 0.3180 -0.0861 C 0 0 0
- -1.9801 -3.0314 0.2033 F 0 0 0
- -3.4788 0.1610 -1.2488 C 0 0 0
- -3.4708 0.3762 1.0997 C 0 0 0
- 5.3163 -0.8339 0.0156 O 0 0 0
- 5.2141 1.3764 -0.1786 O 0 0 0
- -4.9794 0.4541 -1.2706 C 0 0 0
- -4.9714 0.6693 1.0780 C 0 0 0
- -5.3211 1.3617 -0.1684 N 0 0 0
- 0.6140 -3.0040 0.0000 H 0 0 0
- 2.9382 2.3588 0.0000 H 0 0 0
- -0.6147 2.8712 0.0000 H 0 0 0
- -0.1642 1.9177 0.0000 H 0 0 0
- 1.1156 3.7417 0.0000 H 0 0 0
- -0.2275 4.2946 0.0000 H 0 0 0
- -0.7804 2.9515 0.0000 H 0 0 0
- -2.4830 0.4126 0.0000 H 0 0 0
- -3.5068 1.1877 0.0000 H 0 0 0
- -2.4596 0.5558 0.0000 H 0 0 0
- -3.4620 1.4032 0.0000 H 0 0 0
- 5.8457 -1.7140 0.0000 H 0 0 0
- -5.9906 0.2745 0.0000 H 0 0 0
- -4.9882 -0.5729 0.0000 H 0 0 0
- -5.9672 0.4177 0.0000 H 0 0 0
- -4.9434 -0.3574 0.0000 H 0 0 0
- -5.7341 2.3020 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 17 21 1 0
- 18 22 1 0
- 21 23 1 0
- 7 10 2 0
- 9 12 1 0
- 22 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58337-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- 1.5667 -0.4780 0.2854 C 0 0 2
- 0.1274 -0.9064 -0.0073 C 0 0 0
- 1.9050 0.6888 -0.5333 N 0 0 0
- 2.5046 -1.6110 -0.0429 C 0 0 0
- -1.0015 0.4574 0.3879 S 0 0 0
- 2.7956 1.5938 -0.0813 C 0 0 0
- 3.7564 -1.3493 -0.4507 O 0 0 0
- 2.1298 -2.7549 0.0610 O 0 0 0
- -2.5871 -0.3110 -0.0436 C 0 0 0
- 3.1436 2.7941 -0.9235 C 0 0 0
- 3.3169 1.4423 1.0032 O 0 0 0
- -3.7221 0.6819 0.2147 C 0 0 0
- -5.2980 -0.0819 -0.2142 Cl 0 0 0
- 2.5763 -0.2685 0.0000 H 0 0 0
- -0.7477 -1.4518 0.0000 H 0 0 0
- 0.5510 -1.8465 0.0000 H 0 0 0
- 1.0152 1.2099 0.0000 H 0 0 0
- 4.7657 -1.1383 0.0000 H 0 0 0
- -3.3634 -0.9897 0.0000 H 0 0 0
- -2.0178 -1.1707 0.0000 H 0 0 0
- 4.1340 2.5070 0.0000 H 0 0 0
- 3.4307 3.7845 0.0000 H 0 0 0
- 2.1532 3.0812 0.0000 H 0 0 0
- -2.9459 1.3606 0.0000 H 0 0 0
- -4.2914 1.5416 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 9 12 1 0
- 12 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 7 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 12 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-87-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.5134 0.0049 0.2826 C 0 0 0
- 1.4516 0.0104 1.2980 C 0 0 0
- 0.9235 -0.0037 -1.0373 C 0 0 0
- -0.9566 0.0020 0.6148 C 0 0 0
- 2.7997 0.0073 0.9933 C 0 0 0
- 2.2720 -0.0069 -1.3421 C 0 0 0
- -1.7340 1.4700 -0.0861 Cl 0 0 0
- -1.7262 -1.4742 -0.0774 Cl 0 0 0
- 3.2100 -0.0014 -0.3270 C 0 0 0
- 1.4498 1.0215 0.0000 H 0 0 0
- 0.9117 -1.0147 0.0000 H 0 0 0
- -1.9677 -0.0013 0.0000 H 0 0 0
- 2.8116 1.0183 0.0000 H 0 0 0
- 2.2738 -1.0180 0.0000 H 0 0 0
- 4.2210 -0.0092 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1204-68-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 0.7312 -0.4369 -0.0148 C 0 0 0
- -0.4845 0.2508 -0.0280 N 0 0 0
- 1.1812 -1.0328 1.1568 C 0 0 0
- 1.4901 -0.5313 -1.1741 C 0 0 0
- -1.6881 -0.3993 -0.5524 C 0 0 0
- -0.5560 1.6221 0.4825 C 0 0 0
- 2.3833 -1.7123 1.1663 C 0 0 0
- 2.6916 -1.2124 -1.1576 C 0 0 0
- -2.3134 -1.2709 0.5385 C 0 0 0
- 0.1306 2.5696 -0.5032 C 0 0 0
- 3.1390 -1.7999 0.0113 C 0 0 0
- -3.7947 -2.0710 -0.1069 Cl 0 0 0
- 0.0426 4.2573 0.1251 Cl 0 0 0
- 4.4507 -2.5418 0.0256 C 0 0 0
- 0.5040 -1.8061 0.0000 H 0 0 0
- 1.8132 0.4445 0.0000 H 0 0 0
- -1.8139 0.6209 0.0000 H 0 0 0
- -2.6841 -0.1452 0.0000 H 0 0 0
- -1.1752 2.4426 0.0000 H 0 0 0
- -1.5218 1.2703 0.0000 H 0 0 0
- 2.0649 -2.6897 0.0000 H 0 0 0
- 3.3677 -0.4381 0.0000 H 0 0 0
- -2.1876 -2.2911 0.0000 H 0 0 0
- -1.3174 -1.5250 0.0000 H 0 0 0
- 0.7498 1.7491 0.0000 H 0 0 0
- 1.0964 2.9214 0.0000 H 0 0 0
- 3.9446 -3.4365 0.0000 H 0 0 0
- 5.3454 -3.0479 0.0000 H 0 0 0
- 4.9568 -1.6471 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 8 11 2 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7297-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.4885 -0.5797 0.0073 C 0 0 0
- 2.4754 -1.5691 0.0081 C 0 0 0
- 1.8593 0.7674 0.0028 C 0 0 0
- 0.0632 -0.9554 0.0052 C 0 0 0
- 3.8069 -1.2100 0.0044 C 0 0 0
- 3.1951 1.1114 -0.0009 C 0 0 0
- -0.8822 -0.0024 0.0045 C 0 0 0
- 4.1667 0.1264 -0.0001 C 0 0 0
- -2.3074 -0.3781 0.0023 C 0 0 0
- 5.5981 0.5037 -0.0036 N 0 3 0
- -3.2941 0.6113 0.0015 C 0 0 0
- -2.6780 -1.7252 -0.0048 C 0 0 0
- 5.9180 1.6790 -0.0076 O 0 0 0
- 6.4558 -0.3610 -0.0025 O 0 5 0
- -4.6267 0.2517 -0.0005 C 0 0 0
- -4.0137 -2.0701 -0.0067 C 0 0 0
- -4.9860 -1.0860 -0.0012 C 0 0 0
- -5.8549 1.4786 -0.0014 Cl 0 0 0
- 2.2069 -2.5718 0.0000 H 0 0 0
- 1.1314 1.5074 0.0000 H 0 0 0
- -0.2095 -1.9569 0.0000 H 0 0 0
- 4.5410 -1.9438 0.0000 H 0 0 0
- 3.4721 2.1118 0.0000 H 0 0 0
- -0.6095 0.9991 0.0000 H 0 0 0
- -3.0257 1.6140 0.0000 H 0 0 0
- -1.9498 -2.4649 0.0000 H 0 0 0
- -4.2899 -3.0707 0.0000 H 0 0 0
- -5.9895 -1.3513 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 6 8 2 0
- 16 17 2 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106323-85-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.2256 -0.3134 0.4093 C 0 0 0
- -0.2478 -0.2028 0.5465 C 0 0 0
- 1.9605 0.7478 -0.1148 C 0 0 0
- 1.8798 -1.4769 0.8095 C 0 0 0
- -1.0788 -0.5923 -0.5017 C 0 0 0
- -0.8056 0.2858 1.7264 C 0 0 0
- 3.3310 0.6397 -0.2397 C 0 0 0
- 1.2731 1.9888 -0.5372 N 0 3 0
- 3.2503 -1.5742 0.6801 C 0 0 0
- -2.4487 -0.4872 -0.3686 C 0 0 0
- -2.1764 0.3866 1.8486 C 0 0 0
- 3.9745 -0.5193 0.1542 C 0 0 0
- 1.9002 2.8742 -1.0906 O 0 0 0
- 0.0803 2.1245 -0.3314 O 0 5 0
- -2.9967 0.0037 0.8024 C 0 0 0
- -3.3329 -0.9003 -1.4816 N 0 3 0
- 5.4443 -0.6296 0.0173 N 0 3 0
- -4.4664 0.1140 0.9393 N 0 3 0
- -3.2576 -2.0293 -1.9323 O 0 0 0
- -4.1356 -0.1111 -1.9467 O 0 5 0
- 6.0133 -1.6494 0.3636 O 0 0 0
- 6.0846 0.2993 -0.4415 O 0 5 0
- -4.9538 0.4869 1.9914 O 0 0 0
- -5.1884 -0.1680 -0.0002 O 0 5 0
- 1.3979 -2.2375 0.0000 H 0 0 0
- -0.9168 -1.4780 0.0000 H 0 0 0
- -0.4580 1.1164 0.0000 H 0 0 0
- 3.8179 1.3971 0.0000 H 0 0 0
- 3.6412 -2.3853 0.0000 H 0 0 0
- -2.3391 1.2722 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 2 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 17 21 2 0
- 17 22 1 0
- 18 23 2 0
- 18 24 1 0
- 9 12 1 0
- 11 15 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 9 29 1 0
- 11 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1085-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.4400 -0.1042 -0.3465 N 0 0 0
- -0.9910 1.1741 -0.2318 C 0 0 0
- -1.1781 -1.3927 0.3865 S 0 0 0
- 0.9475 -0.3324 -1.2211 S 0 0 0
- -0.8219 2.0992 -1.2540 C 0 0 0
- -1.7142 1.5214 0.9024 C 0 0 0
- -2.5216 -1.7674 -0.5063 N 0 0 0
- -0.2893 -2.4897 0.2255 O 0 0 0
- -1.6643 -0.9036 1.6289 O 0 0 0
- 2.1746 -0.2721 0.1135 C 0 0 0
- -1.3685 3.3623 -1.1376 C 0 0 0
- -2.2579 2.7859 1.0123 C 0 0 0
- -2.5698 -1.4343 -1.9322 C 0 0 0
- -3.6618 -2.4319 0.1296 C 0 0 0
- 2.1348 -1.4682 0.8381 F 0 0 0
- 3.8192 -0.0511 -0.5917 Cl 0 0 0
- 1.8011 1.1084 1.2115 Cl 0 0 0
- -2.0832 3.7063 -0.0051 C 0 0 0
- 0.1826 2.2140 0.0000 H 0 0 0
- -2.4438 0.8215 0.0000 H 0 0 0
- -0.6394 4.0627 0.0000 H 0 0 0
- -3.2629 2.6757 0.0000 H 0 0 0
- -1.5692 -1.2895 0.0000 H 0 0 0
- -2.7146 -0.4337 0.0000 H 0 0 0
- -3.5704 -1.5791 0.0000 H 0 0 0
- -4.1709 -1.5584 0.0000 H 0 0 0
- -4.5353 -2.9410 0.0000 H 0 0 0
- -3.1527 -3.3054 0.0000 H 0 0 0
- -2.5386 4.6089 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 3 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 2 0
- 12 18 1 0
- 5 19 1 0
- 6 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-924-16-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -0.0696 -0.5874 0.1307 N 0 0 0
- -1.1627 0.1614 0.7558 C 0 0 0
- 0.9466 0.1181 -0.6541 C 0 0 0
- 0.0010 -1.8673 0.2756 N 0 0 0
- -2.3415 0.2493 -0.2156 C 0 0 0
- 2.0986 0.5364 0.2618 C 0 0 0
- 0.9098 -2.4898 -0.2441 O 0 0 0
- -3.4831 1.0313 0.4372 C 0 0 0
- 3.1599 1.2732 -0.5577 C 0 0 0
- -4.6618 1.1193 -0.5342 C 0 0 0
- 4.3120 1.6914 0.3582 C 0 0 0
- -0.4121 0.6995 0.0000 H 0 0 0
- -1.4124 1.0505 0.0000 H 0 0 0
- 1.0288 1.0380 0.0000 H 0 0 0
- 0.1482 0.5822 0.0000 H 0 0 0
- -3.0921 -0.2888 0.0000 H 0 0 0
- -2.0918 -0.6398 0.0000 H 0 0 0
- 2.0164 -0.3835 0.0000 H 0 0 0
- 2.8970 0.0723 0.0000 H 0 0 0
- -2.7325 1.5694 0.0000 H 0 0 0
- -3.7327 1.9204 0.0000 H 0 0 0
- 3.2422 2.1931 0.0000 H 0 0 0
- 2.3615 1.7373 0.0000 H 0 0 0
- -4.5930 2.0403 0.0000 H 0 0 0
- -5.5828 1.1881 0.0000 H 0 0 0
- -4.7306 0.1983 0.0000 H 0 0 0
- 4.6271 0.8233 0.0000 H 0 0 0
- 5.1801 2.0065 0.0000 H 0 0 0
- 3.9969 2.5595 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14308-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.1914 0.0759 -0.0035 C 0 0 0
- -1.3331 -0.6434 -0.0028 O 0 0 0
- -0.5350 1.4120 -0.0011 C 0 0 0
- 1.1244 -0.4472 -0.0011 C 0 0 0
- -2.3842 0.1881 0.0001 C 0 0 0
- -1.9372 1.4635 0.0012 C 0 0 0
- 2.1885 0.3937 -0.0022 C 0 0 0
- -3.8060 -0.2242 0.0010 N 0 3 0
- 3.5039 -0.1293 0.0003 C 0 0 0
- -4.6847 0.6192 0.0037 O 0 0 0
- -4.0972 -1.4069 -0.0009 O 0 5 0
- 4.5613 0.7063 -0.0009 N 0 0 0
- 3.6801 -1.3343 0.0034 O 0 0 0
- 5.9227 0.1651 0.0017 C 0 0 0
- 0.1018 2.2029 0.0000 H 0 0 0
- 1.2713 -1.4519 0.0000 H 0 0 0
- -2.5093 2.3024 0.0000 H 0 0 0
- 2.0416 1.3984 0.0000 H 0 0 0
- 4.4144 1.7110 0.0000 H 0 0 0
- 5.5476 -0.7785 0.0000 H 0 0 0
- 6.8663 -0.2100 0.0000 H 0 0 0
- 6.2978 1.1087 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 5 6 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 12 19 1 0
- 14 20 1 0
- 14 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111-42-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.0000 0.0424 0.0000 N 0 0 0
- -1.1403 0.9193 -0.2978 C 0 0 0
- 1.1403 0.9193 0.2978 C 0 0 0
- -2.3693 0.0664 -0.6187 C 0 0 0
- 2.3693 0.0664 0.6187 C 0 0 0
- -2.6834 -0.7584 0.5052 O 0 0 0
- 2.6834 -0.7584 -0.5052 O 0 0 0
- 0.0000 -1.0365 0.0000 H 0 0 0
- -0.3983 1.7025 0.0000 H 0 0 0
- -1.8432 1.7378 0.0000 H 0 0 0
- 1.8432 1.7378 0.0000 H 0 0 0
- 0.3983 1.7025 0.0000 H 0 0 0
- -2.6707 1.1023 0.0000 H 0 0 0
- -3.4473 0.1099 0.0000 H 0 0 0
- 3.4473 0.1099 0.0000 H 0 0 0
- 2.6707 1.1023 0.0000 H 0 0 0
- -3.0674 -1.7666 0.0000 H 0 0 0
- 3.0674 -1.7666 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51264-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- -2.1813 -0.1723 0.5771 C 0 0 0
- -2.9065 -1.0359 -0.2687 C 0 0 0
- -2.5427 1.1899 0.5899 C 0 0 0
- -1.1577 -0.6447 1.3686 N 0 0 0
- -3.9582 -0.5115 -1.0648 C 0 0 0
- -2.6019 -2.4060 -0.3339 C 0 0 0
- -3.6074 1.6369 -0.2363 C 0 0 0
- -1.8642 2.1092 1.4076 C 0 0 0
- 0.1539 -0.6721 0.8757 C 0 0 0
- -4.2648 0.7842 -1.0206 N 0 0 0
- -4.6754 -1.3863 -1.9063 C 0 0 0
- -3.3178 -3.2171 -1.1594 C 0 0 0
- -3.9586 3.0022 -0.2138 C 0 0 0
- -2.2337 3.4189 1.3999 C 0 0 0
- 1.1900 -1.1501 1.6762 C 0 0 0
- 0.4210 -0.2288 -0.4113 C 0 0 0
- -4.3526 -2.7062 -1.9427 C 0 0 0
- -3.2796 3.8621 0.5905 C 0 0 0
- 2.4846 -1.1761 1.1870 C 0 0 0
- 0.9292 -1.5907 2.9359 O 0 0 0
- 1.7140 -0.2555 -0.8980 C 0 0 0
- 2.7486 -0.7259 -0.1002 C 0 0 0
- 2.1764 -2.0101 3.4932 C 0 0 0
- 4.0568 -0.7519 -0.5953 N 0 0 0
- 4.7970 0.6570 -1.0530 S 0 0 0
- 5.0203 1.5359 0.5182 C 0 0 0
- 6.0364 0.2047 -1.5806 O 0 0 0
- 3.8125 1.2803 -1.8663 O 0 0 0
- -1.3523 -1.4886 0.0000 H 0 0 0
- -1.7632 -2.6221 0.0000 H 0 0 0
- -1.0122 1.9538 0.0000 H 0 0 0
- -5.5199 -1.1944 0.0000 H 0 0 0
- -3.1504 -4.0668 0.0000 H 0 0 0
- -4.8059 3.1813 0.0000 H 0 0 0
- -1.5840 3.9916 0.0000 H 0 0 0
- 0.0028 0.5296 0.0000 H 0 0 0
- -5.0282 -3.2481 0.0000 H 0 0 0
- -3.4945 4.7011 0.0000 H 0 0 0
- 2.9075 -1.9319 0.0000 H 0 0 0
- 1.9061 0.5890 0.0000 H 0 0 0
- 1.9004 -2.8310 0.0000 H 0 0 0
- 2.9973 -2.2861 0.0000 H 0 0 0
- 2.4524 -1.1892 0.0000 H 0 0 0
- 4.4973 -1.4976 0.0000 H 0 0 0
- 5.8597 1.3226 0.0000 H 0 0 0
- 5.2336 2.3753 0.0000 H 0 0 0
- 4.1809 1.7492 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 15 20 1 0
- 16 21 1 0
- 19 22 1 0
- 20 23 1 0
- 22 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 2 0
- 25 28 2 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 21 22 2 0
- 4 29 1 0
- 6 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 21 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
- 24 44 1 0
- 26 45 1 0
- 26 46 1 0
- 26 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-111380-08-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 0.3324 -0.6257 0.0848 C 0 0 0
- -1.1147 -0.3359 0.0710 C 0 0 0
- 1.3843 0.3259 0.1187 C 0 0 0
- 0.9013 -1.8331 0.0737 N 0 0 0
- -1.9753 -1.0936 -0.7292 C 0 0 0
- -1.6324 0.6937 0.8621 C 0 0 0
- 2.5572 -0.4181 0.1200 N 0 0 0
- 1.2723 1.6375 0.1430 N 0 0 0
- 2.2061 -1.7155 0.0924 C 0 0 0
- -3.3259 -0.8170 -0.7370 C 0 0 0
- -2.9857 0.9586 0.8439 C 0 0 0
- 3.9225 0.1122 0.1497 C 0 0 0
- 1.1265 2.2556 -0.8963 O 0 0 0
- -3.8306 0.2081 0.0449 C 0 0 0
- -1.7180 -2.0610 0.0000 H 0 0 0
- -1.0273 1.4912 0.0000 H 0 0 0
- 2.8496 -2.4823 0.0000 H 0 0 0
- -3.9378 -1.6093 0.0000 H 0 0 0
- -3.2493 1.9243 0.0000 H 0 0 0
- 4.2849 -0.8209 0.0000 H 0 0 0
- 4.8556 0.4746 0.0000 H 0 0 0
- 3.5601 1.0453 0.0000 H 0 0 0
- -4.8130 0.4006 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 7 9 1 0
- 11 14 2 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2815-45-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.3032 0.0000 -0.0638 C 0 0 0
- 3.0313 -1.2521 0.4290 C 0 0 0
- 3.0347 1.2463 0.4386 C 0 0 0
- 2.2771 0.0059 -1.5936 C 0 0 0
- 0.8696 -0.0001 0.4707 C 0 0 0
- 0.1418 1.2516 -0.0219 C 0 0 0
- 0.1418 -1.2516 -0.0223 C 0 0 0
- -1.2666 1.2923 0.5795 C 0 0 0
- -1.2666 -1.2925 0.5791 C 0 0 0
- -1.9996 0.0000 0.2125 C 0 0 0
- -3.5255 0.0000 0.2742 C 0 0 0
- -2.8082 0.0002 -0.9623 O 0 0 0
- 2.0944 -1.7969 0.0000 H 0 0 0
- 3.5761 -2.1890 0.0000 H 0 0 0
- 3.9682 -0.7073 0.0000 H 0 0 0
- 3.9694 0.6977 0.0000 H 0 0 0
- 3.5833 2.1810 0.0000 H 0 0 0
- 2.1000 1.7949 0.0000 H 0 0 0
- 2.5161 1.0631 0.0000 H 0 0 0
- 1.2199 0.2449 0.0000 H 0 0 0
- 2.0381 -1.0513 0.0000 H 0 0 0
- 1.4101 -0.9396 0.0000 H 0 0 0
- 1.1631 1.6146 0.0000 H 0 0 0
- -0.0269 2.3222 0.0000 H 0 0 0
- -0.0268 -2.3222 0.0000 H 0 0 0
- 1.1631 -1.6146 0.0000 H 0 0 0
- -1.0606 2.3564 0.0000 H 0 0 0
- -2.2834 1.6676 0.0000 H 0 0 0
- -2.2834 -1.6678 0.0000 H 0 0 0
- -1.0605 -2.3566 0.0000 H 0 0 0
- -4.0676 0.9385 0.0000 H 0 0 0
- -4.0673 -0.9387 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 8 1 0
- 11 10 1 0
- 12 10 1 0
- 9 10 1 0
- 11 12 1 0
- 2 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-138835-36-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- 0.5438 0.0615 -0.0020 C 0 0 0
- -0.7640 0.5717 0.0155 C 0 0 0
- 1.6414 0.9442 0.0152 C 0 0 0
- 0.7714 -1.3831 -0.0320 C 0 0 0
- -1.8666 -0.3111 -0.0013 C 0 0 0
- -0.9617 1.9715 0.0504 C 0 0 0
- 2.9744 0.3447 -0.0040 C 0 0 0
- 1.4223 2.3301 0.0498 C 0 0 0
- 2.0061 -1.8569 -0.0475 N 0 0 0
- -0.3925 -2.2692 -0.0436 C 0 0 0
- -3.1564 0.2246 0.0167 C 0 0 0
- -1.6422 -1.7533 -0.0364 C 0 0 0
- 0.1593 2.8314 0.0665 C 0 0 0
- -2.2710 2.4671 0.0676 C 0 0 0
- 3.0867 -1.0691 -0.0384 C 0 0 0
- 4.1273 1.1354 0.0103 C 0 0 0
- -3.3400 1.5951 0.0504 C 0 0 0
- -4.3304 -0.6771 -0.0007 N 0 3 0
- 4.3735 -1.6426 -0.0568 C 0 0 0
- 5.3557 0.5431 -0.0088 C 0 0 0
- -5.2548 -0.4585 -0.7631 O 0 0 0
- -4.3718 -1.6375 0.7472 O 0 5 0
- 5.4746 -0.8437 -0.0416 C 0 0 0
- 2.2421 2.9861 0.0000 H 0 0 0
- -0.2568 -3.3104 0.0000 H 0 0 0
- -2.4673 -2.4027 0.0000 H 0 0 0
- 0.0146 3.8714 0.0000 H 0 0 0
- -2.4395 3.5035 0.0000 H 0 0 0
- 4.0476 2.1823 0.0000 H 0 0 0
- -4.3164 1.9813 0.0000 H 0 0 0
- 4.4827 -2.6869 0.0000 H 0 0 0
- 6.2202 1.1390 0.0000 H 0 0 0
- 6.4295 -1.2803 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 8 13 2 0
- 9 15 2 0
- 10 12 2 0
- 14 17 1 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 23 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76-38-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.7891 -0.2468 0.0457 C 0 0 0
- -0.6053 0.0665 0.5918 C 0 0 0
- 1.7166 0.7327 0.5175 O 0 0 0
- 1.1872 -1.5147 0.4830 F 0 0 0
- 0.7582 -0.2243 -1.3528 F 0 0 0
- -1.1183 1.7005 0.0281 Cl 0 0 0
- -1.7755 -1.1693 -0.0034 Cl 0 0 0
- 2.9932 0.3871 -0.0237 C 0 0 0
- -0.3104 -0.9013 0.0000 H 0 0 0
- 2.7288 -0.5895 0.0000 H 0 0 0
- 3.9698 0.1227 0.0000 H 0 0 0
- 3.2576 1.3637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 2 9 1 0
- 8 10 1 0
- 8 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39653-72-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- 0.5971 -0.0077 -0.0017 C 0 0 0
- -0.7226 -0.6368 -0.0013 C 0 0 0
- 0.4083 1.4420 0.0001 C 0 0 0
- 1.7298 -0.6239 0.0015 C 0 0 0
- -1.6784 0.4772 0.0003 C 0 0 0
- -0.7469 -1.9512 -0.0021 C 0 0 0
- -1.0462 1.6393 0.0012 C 0 0 0
- 1.4987 2.1765 0.0000 C 0 0 0
- 1.7030 -2.0950 0.0060 C 0 0 0
- 2.9503 0.1977 0.0000 C 0 0 0
- -3.1024 0.3265 0.0006 C 0 0 0
- 0.5261 -2.7010 -0.0033 C 0 0 0
- 2.8198 1.5150 -0.0021 C 0 0 0
- -4.2321 0.2070 0.0007 N 0 0 0
- -1.6940 -2.4810 0.0000 H 0 0 0
- -1.5366 2.6074 0.0000 H 0 0 0
- 1.4290 3.2595 0.0000 H 0 0 0
- 2.6243 -2.6685 0.0000 H 0 0 0
- 3.9322 -0.2643 0.0000 H 0 0 0
- 0.4953 -3.7858 0.0000 H 0 0 0
- 3.7138 2.1301 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 11 14 3 0
- 5 7 2 0
- 9 12 2 0
- 10 13 2 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-773-76-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.3383 1.1836 -0.0022 C 0 0 0
- -1.1722 0.0381 -0.0018 C 0 0 0
- 1.0614 1.0125 -0.0014 C 0 0 0
- -0.8832 2.4035 0.0021 N 0 0 0
- -0.5958 -1.2436 -0.0001 C 0 0 0
- -2.5686 0.2118 -0.0027 C 0 0 0
- 1.5900 -0.2583 -0.0002 C 0 0 0
- 1.8829 2.0952 -0.0013 O 0 0 0
- -2.1838 2.5692 0.0068 C 0 0 0
- 0.7599 -1.3776 0.0011 C 0 0 0
- -1.6093 -2.6531 0.0009 Cl 0 0 0
- -3.0600 1.4865 -0.0038 C 0 0 0
- 3.3131 -0.4695 0.0003 Cl 0 0 0
- -3.2120 -0.6115 0.0000 H 0 0 0
- 2.5145 2.9276 0.0000 H 0 0 0
- -2.5732 3.5388 0.0000 H 0 0 0
- 1.1832 -2.3329 0.0000 H 0 0 0
- -4.0922 1.6491 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 10 1 0
- 9 12 2 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-62-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.6930 -0.2824 -0.1926 C 0 0 0
- -0.5166 0.6479 -0.0821 C 0 0 0
- 1.9629 0.4860 0.1785 C 0 0 0
- -1.7675 -0.1089 -0.4476 C 0 0 0
- 3.1726 -0.4443 0.0680 C 0 0 0
- -2.6605 -0.2239 0.3572 O 0 0 0
- -0.0893 -1.0744 0.0000 H 0 0 0
- 1.3824 -1.1565 0.0000 H 0 0 0
- 0.2658 1.4398 0.0000 H 0 0 0
- -1.2060 1.5220 0.0000 H 0 0 0
- 2.7452 1.2780 0.0000 H 0 0 0
- 1.2735 1.3600 0.0000 H 0 0 0
- -1.4004 -1.1598 0.0000 H 0 0 0
- 2.4940 -1.3267 0.0000 H 0 0 0
- 4.0550 -1.1229 0.0000 H 0 0 0
- 3.8512 0.4381 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 2 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23043-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.8913 0.3828 0.0039 C 0 0 0
- -0.7463 -1.0285 0.0025 C 0 0 0
- 0.2515 1.2086 0.0031 C 0 0 0
- -2.1782 0.9503 0.0003 C 0 0 0
- 0.4584 -1.6007 0.0003 N 0 0 0
- -1.9057 -1.8335 0.0028 C 0 0 0
- 1.5108 0.5825 0.0008 C 0 0 0
- 0.1382 2.5838 0.0040 N 0 0 0
- -3.2763 0.1381 -0.0046 C 0 0 0
- 1.5762 -0.8807 -0.0001 C 0 0 0
- -3.1340 -1.2555 0.0045 C 0 0 0
- 2.7052 1.3221 -0.0005 C 0 0 0
- -4.5553 0.7033 -0.0078 N 0 0 0
- 2.8445 -1.4955 -0.0025 C 0 0 0
- 3.8975 0.6669 -0.0031 C 0 0 0
- 3.9640 -0.7249 -0.0030 C 0 0 0
- -2.2942 1.9936 0.0000 H 0 0 0
- -1.8181 -2.8795 0.0000 H 0 0 0
- 1.0011 3.1815 0.0000 H 0 0 0
- -0.8109 3.0322 0.0000 H 0 0 0
- -3.9905 -1.8623 0.0000 H 0 0 0
- 2.6779 2.3714 0.0000 H 0 0 0
- -4.6679 1.7469 0.0000 H 0 0 0
- -5.4028 0.0840 0.0000 H 0 0 0
- 2.9239 -2.5422 0.0000 H 0 0 0
- 4.7879 1.2227 0.0000 H 0 0 0
- 4.9045 -1.1910 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 7 10 1 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-65-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.3983 -0.2946 0.0023 C 0 0 0
- 0.5618 -1.2983 0.0012 C 0 0 0
- -0.0055 1.0380 0.0015 C 0 0 0
- -1.7555 -0.6243 -0.0017 N 0 0 0
- 1.9031 -0.9688 -0.0007 C 0 0 0
- 1.3372 1.3604 -0.0003 C 0 0 0
- -2.7330 0.4002 -0.0005 O 0 0 0
- 2.2906 0.3584 -0.0014 C 0 0 0
- 0.2712 -2.2964 0.0000 H 0 0 0
- -0.7216 1.7916 0.0000 H 0 0 0
- -2.0480 -1.6218 0.0000 H 0 0 0
- 2.6221 -1.7196 0.0000 H 0 0 0
- 1.6318 2.3573 0.0000 H 0 0 0
- -3.4506 1.1523 0.0000 H 0 0 0
- 3.3008 0.6037 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-57-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -3.2480 0.3517 -0.0008 Cl 0 0 0
- -1.5611 -0.0580 -0.0011 C 0 0 0
- -0.6279 0.9347 0.0007 C 0 0 0
- -1.1784 -1.3992 0.0027 C 0 0 0
- 0.7367 0.6040 0.0004 C 0 0 0
- 0.1350 -1.7542 0.0026 C 0 0 0
- 1.1273 -0.7580 -0.0016 C 0 0 0
- 1.7321 1.5995 0.0017 C 0 0 0
- 2.4254 -1.0777 -0.0023 N 0 0 0
- 3.0392 1.2037 0.0009 C 0 0 0
- 3.3549 -0.1533 -0.0011 C 0 0 0
- -0.9261 1.9368 0.0000 H 0 0 0
- -1.9125 -2.1436 0.0000 H 0 0 0
- 0.4055 -2.7641 0.0000 H 0 0 0
- 1.4778 2.6136 0.0000 H 0 0 0
- 3.8023 1.9184 0.0000 H 0 0 0
- 4.3597 -0.4420 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 6 7 1 0
- 10 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-191-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 0.2341 0.9107 0.0021 C 0 0 0
- -0.6608 -0.1674 0.0010 C 0 0 0
- 1.6328 0.6982 0.0012 C 0 0 0
- -0.2830 2.2814 -0.0020 C 0 0 0
- -0.1467 -1.5428 0.0003 C 0 0 0
- -2.0528 0.0825 0.0011 C 0 0 0
- 2.1597 -0.6097 -0.0007 C 0 0 0
- 2.5124 1.8043 0.0018 C 0 0 0
- -1.6531 2.4998 -0.0070 C 0 0 0
- 0.6581 3.4003 -0.0011 C 0 0 0
- 1.2458 -1.7628 0.0004 C 0 0 0
- -1.0180 -2.6351 -0.0001 C 0 0 0
- -2.5400 1.4138 0.0025 C 0 0 0
- -2.9661 -0.9843 -0.0008 C 0 0 0
- 3.5404 -0.7962 -0.0022 C 0 0 0
- 1.9866 3.1669 0.0036 C 0 0 0
- 3.8931 1.5804 0.0003 C 0 0 0
- 1.7379 -3.0685 0.0004 C 0 0 0
- -0.5104 -3.9143 -0.0003 C 0 0 0
- -3.9323 1.6350 0.0020 C 0 0 0
- -4.3037 -0.7318 -0.0012 C 0 0 0
- 4.3902 0.2937 -0.0018 C 0 0 0
- 0.8612 -4.1302 0.0002 C 0 0 0
- -4.7854 0.5761 0.0002 C 0 0 0
- -2.0272 3.4818 0.0000 H 0 0 0
- 0.2990 4.3879 0.0000 H 0 0 0
- -2.0574 -2.4804 0.0000 H 0 0 0
- -2.6175 -1.9757 0.0000 H 0 0 0
- 3.9371 -1.7693 0.0000 H 0 0 0
- 2.6541 3.9785 0.0000 H 0 0 0
- 4.5550 2.3966 0.0000 H 0 0 0
- 2.7745 -3.2410 0.0000 H 0 0 0
- -1.1667 -4.7350 0.0000 H 0 0 0
- -4.3099 2.6157 0.0000 H 0 0 0
- -4.9825 -1.5340 0.0000 H 0 0 0
- 5.4297 0.1400 0.0000 H 0 0 0
- 1.2336 -5.1129 0.0000 H 0 0 0
- -5.8224 0.7463 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 14 21 2 0
- 15 22 2 0
- 18 23 2 0
- 20 24 2 0
- 7 11 1 0
- 9 13 1 0
- 10 16 2 0
- 17 22 1 0
- 19 23 1 0
- 21 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-14901-07-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 0.6175 0.1251 0.1808 C 0 0 0
- 1.4173 -1.1288 -0.0219 C 0 0 0
- 1.1197 1.3422 0.0648 C 0 0 0
- -0.7976 -0.0071 0.5199 C 0 0 0
- 2.7116 -0.8120 -0.7738 C 0 0 0
- 1.7577 -1.7390 1.3392 C 0 0 0
- 0.5924 -2.1310 -0.8319 C 0 0 0
- 2.5504 1.6225 -0.2930 C 0 0 0
- 0.2041 2.5149 0.3046 C 0 0 0
- -1.7407 0.0979 -0.4506 C 0 0 0
- 3.4015 0.3689 -0.0803 C 0 0 0
- -3.1043 -0.0296 -0.1239 C 0 0 0
- -4.1514 0.0870 -1.2014 C 0 0 0
- -3.4367 -0.2335 1.0265 O 0 0 0
- -0.8066 -1.0196 0.0000 H 0 0 0
- 2.6952 -1.8244 0.0000 H 0 0 0
- 3.6868 -1.0845 0.0000 H 0 0 0
- 0.8734 -2.2323 0.0000 H 0 0 0
- 2.2510 -2.6233 0.0000 H 0 0 0
- 2.6420 -1.2457 0.0000 H 0 0 0
- -0.1894 -1.4875 0.0000 H 0 0 0
- -0.0511 -2.9128 0.0000 H 0 0 0
- 1.3742 -2.7745 0.0000 H 0 0 0
- 3.4568 2.0739 0.0000 H 0 0 0
- 2.2244 2.5811 0.0000 H 0 0 0
- 1.0022 3.1380 0.0000 H 0 0 0
- -0.4190 3.3130 0.0000 H 0 0 0
- -0.5940 1.8918 0.0000 H 0 0 0
- -1.7318 1.1104 0.0000 H 0 0 0
- 4.1906 -0.2656 0.0000 H 0 0 0
- 4.1458 1.0554 0.0000 H 0 0 0
- -4.0393 1.0933 0.0000 H 0 0 0
- -5.1577 0.1991 0.0000 H 0 0 0
- -4.2635 -0.9193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 10 12 1 0
- 12 13 1 0
- 12 14 2 0
- 8 11 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 11 31 1 0
- 13 32 1 0
- 13 33 1 0
- 13 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97461-38-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- -1.2385 0.0627 0.0610 C 0 0 0
- -2.3839 -0.6448 -0.0322 O 0 0 0
- -1.5741 1.3985 0.1476 C 0 0 0
- 0.0724 -0.4705 0.0739 C 0 0 0
- -3.4291 0.1935 -0.0077 C 0 0 0
- -2.9747 1.4619 0.1022 C 0 0 0
- 1.1419 0.3598 0.1727 C 0 0 0
- -4.8525 -0.2054 -0.0876 N 0 3 0
- 2.4506 -0.1725 0.1856 C 0 0 0
- -5.7255 0.6434 -0.0563 O 0 0 0
- -5.1507 -1.3823 -0.1848 O 0 5 0
- 3.5142 0.6531 0.2839 O 0 0 0
- 2.6192 -1.3754 0.1079 O 0 0 0
- 4.6772 -0.1757 0.3347 C 0 0 0
- 5.6761 0.2815 -0.7302 C 0 0 0
- 5.3211 -0.0666 1.7183 C 0 0 0
- 5.0322 0.1726 -2.1138 C 0 0 0
- -0.9353 2.1806 0.0000 H 0 0 0
- 0.2102 -1.4709 0.0000 H 0 0 0
- -3.5372 2.3006 0.0000 H 0 0 0
- 1.0041 1.3602 0.0000 H 0 0 0
- 4.4513 -1.1599 0.0000 H 0 0 0
- 6.4451 -0.3730 0.0000 H 0 0 0
- 5.9443 1.2550 0.0000 H 0 0 0
- 5.4898 -1.0622 0.0000 H 0 0 0
- 6.3167 0.1021 0.0000 H 0 0 0
- 5.1524 0.9290 0.0000 H 0 0 0
- 4.8638 1.1683 0.0000 H 0 0 0
- 4.0365 0.0042 0.0000 H 0 0 0
- 5.2006 -0.8231 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 5 6 2 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1300-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -0.1808 -1.6416 -0.0897 S 0 0 0
- -1.4006 -0.3820 0.0837 C 0 0 0
- 0.7295 -1.4479 0.9841 O 0 0 0
- -0.8978 -2.8395 -0.3543 O 0 0 0
- 0.6058 -1.3417 -1.3578 O 0 0 0
- -1.2239 0.8412 -0.5352 C 0 0 0
- -2.5373 -0.6191 0.8342 C 0 0 0
- -2.1810 1.8295 -0.3990 C 0 0 0
- -3.4942 0.3689 0.9702 C 0 0 0
- -3.3146 1.5944 0.3559 C 0 0 0
- -1.9885 3.1630 -1.0742 C 0 0 0
- -4.3582 2.6716 0.5038 C 0 0 0
- 10.6560 1.2610 0.2455 Na 0 3 0
- -0.3013 1.1397 0.0000 H 0 0 0
- -2.8219 -1.5461 0.0000 H 0 0 0
- -4.4171 0.0713 0.0000 H 0 0 0
- -1.0287 3.0245 0.0000 H 0 0 0
- -1.8500 4.1228 0.0000 H 0 0 0
- -2.9483 3.3015 0.0000 H 0 0 0
- -3.6617 3.3463 0.0000 H 0 0 0
- -5.0329 3.3681 0.0000 H 0 0 0
- -5.0547 1.9969 0.0000 H 0 0 0
- 1.5119 -0.9962 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 2 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 9 10 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 5 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59652-29-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 44 1 V2000
- -0.5401 -1.9953 -0.0449 C 0 0 0
- -1.2438 -2.4107 1.0979 C 0 0 0
- 0.7202 -2.5242 -0.2950 C 0 0 0
- -1.3144 -1.0986 -0.6881 O 0 0 0
- -2.5135 -1.6750 1.0653 C 0 0 0
- -0.6793 -3.3429 1.9672 C 0 0 0
- 1.2623 -3.4450 0.5759 C 0 0 0
- 1.4925 -2.0921 -1.5148 C 0 0 0
- -2.4731 -0.9086 -0.0331 C 0 0 0
- 0.5623 -3.8512 1.7028 C 0 0 0
- 1.1541 -3.0161 -2.6864 C 0 0 0
- -3.5698 0.0263 -0.4736 C 0 0 0
- -3.3366 1.4096 0.1372 C 0 0 0
- -3.5651 0.1281 -1.8990 O 0 0 0
- -4.4057 2.3210 -0.2921 N 0 0 0
- -4.1234 3.6236 0.3257 C 0 0 0
- -2.7575 4.1264 -0.1459 C 0 0 0
- -5.2046 4.6264 -0.0820 C 0 0 0
- -4.1142 3.4745 1.8484 C 0 0 0
- 12.5367 2.2223 0.1161 Cl 0 0 0
- -3.2913 -2.0964 0.0000 H 0 0 0
- -1.2542 -4.0152 0.0000 H 0 0 0
- 2.1180 -3.6694 0.0000 H 0 0 0
- 2.3753 -2.1487 0.0000 H 0 0 0
- 1.2968 -1.2294 0.0000 H 0 0 0
- 0.6229 -4.7337 0.0000 H 0 0 0
- 0.3235 -2.7119 0.0000 H 0 0 0
- 0.8499 -3.8467 0.0000 H 0 0 0
- 1.9847 -3.3203 0.0000 H 0 0 0
- -4.3813 -0.3258 0.0000 H 0 0 0
- -2.5046 1.1091 0.0000 H 0 0 0
- -2.8922 2.1745 0.0000 H 0 0 0
- -3.5243 1.0118 0.0000 H 0 0 0
- -5.2438 2.0379 0.0000 H 0 0 0
- -2.4519 3.2963 0.0000 H 0 0 0
- -1.9274 4.4320 0.0000 H 0 0 0
- -3.0631 4.9565 0.0000 H 0 0 0
- -4.6031 5.2750 0.0000 H 0 0 0
- -5.8532 5.2279 0.0000 H 0 0 0
- -5.8061 3.9778 0.0000 H 0 0 0
- -4.9971 3.4200 0.0000 H 0 0 0
- -4.0597 2.5916 0.0000 H 0 0 0
- -3.2313 3.5290 0.0000 H 0 0 0
- 13.4213 2.2223 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 1 0
- 16 19 1 0
- 5 9 2 0
- 7 10 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7149-26-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- -0.8949 -1.6530 0.7254 C 0 0 0
- 0.0789 -0.5869 0.8784 O 0 0 0
- -2.0465 -1.1690 -0.1580 C 0 0 0
- -0.2363 -2.8465 0.0829 C 0 0 0
- -1.4381 -2.0487 2.0999 C 0 0 0
- 0.7880 -0.1640 -0.1867 C 0 0 0
- -2.2611 0.3301 0.0600 C 0 0 0
- -0.9666 -3.8466 -0.3443 C 0 0 0
- 2.0762 0.5221 0.0115 C 0 0 0
- 0.3646 -0.3487 -1.3107 O 0 0 0
- -3.3954 0.8069 -0.8102 C 0 0 0
- 3.2508 -0.0045 -0.5492 C 0 0 0
- 2.1363 1.7049 0.7543 C 0 0 0
- -4.2296 1.7118 -0.3614 C 0 0 0
- 4.4597 0.6526 -0.3546 C 0 0 0
- 3.2048 -1.1755 -1.2935 N 0 0 0
- 3.3441 2.3414 0.9359 C 0 0 0
- -5.6997 1.3966 -0.2591 C 0 0 0
- -3.7191 3.0679 0.0526 C 0 0 0
- 4.5029 1.8157 0.3858 C 0 0 0
- -2.9914 -1.1332 0.0000 H 0 0 0
- -2.2509 -2.0923 0.0000 H 0 0 0
- 0.7074 -2.9063 0.0000 H 0 0 0
- -1.9949 -1.2844 0.0000 H 0 0 0
- -2.2024 -2.6055 0.0000 H 0 0 0
- -0.8813 -2.8130 0.0000 H 0 0 0
- -1.3162 0.2943 0.0000 H 0 0 0
- -2.0567 1.2534 0.0000 H 0 0 0
- -1.9068 -3.7455 0.0000 H 0 0 0
- -0.5841 -4.7114 0.0000 H 0 0 0
- -3.9386 0.0329 0.0000 H 0 0 0
- 1.3393 2.2138 0.0000 H 0 0 0
- 5.2634 0.1543 0.0000 H 0 0 0
- 2.3679 -1.6158 0.0000 H 0 0 0
- 4.0045 -1.6801 0.0000 H 0 0 0
- 3.3162 3.2866 0.0000 H 0 0 0
- -5.8979 2.3212 0.0000 H 0 0 0
- -6.6243 1.1984 0.0000 H 0 0 0
- -5.5015 0.4720 0.0000 H 0 0 0
- -2.8341 2.7347 0.0000 H 0 0 0
- -3.3859 3.9529 0.0000 H 0 0 0
- -4.6041 3.4011 0.0000 H 0 0 0
- 5.3071 2.3131 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 9 12 2 0
- 9 13 1 0
- 11 14 2 0
- 12 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 14 19 1 0
- 15 20 2 0
- 17 20 1 0
- 3 21 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 11 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1767-28-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.0010 -0.3684 -0.0125 C 0 0 0
- -1.1521 0.2458 0.0111 C 0 0 0
- 1.2545 0.4057 0.0053 C 0 0 0
- 0.0627 -1.8405 -0.0512 C 0 0 0
- -2.4112 -0.5203 -0.0060 C 0 0 0
- -1.2071 1.7191 0.0559 C 0 0 0
- 2.5210 -0.3467 -0.0224 C 0 0 0
- 1.2108 1.7161 0.0449 C 0 0 0
- -1.1912 -2.6125 -0.0639 C 0 0 0
- 1.2364 -2.4273 -0.0737 C 0 0 0
- -2.3553 -1.9911 -0.0514 C 0 0 0
- -3.5521 0.1279 0.0192 C 0 0 0
- -0.0934 2.4120 0.0710 C 0 0 0
- -2.5373 2.3523 0.0817 C 0 0 0
- 2.4894 -1.6616 -0.0615 C 0 0 0
- 3.7067 0.3090 -0.0082 N 0 3 0
- -3.6129 1.5944 0.0639 C 0 0 0
- -4.7149 -0.5810 0.0029 O 0 0 0
- 3.9049 1.2258 -0.7852 O 0 0 0
- 4.5742 -0.0184 0.7815 O 0 5 0
- 2.0778 2.2560 0.0000 H 0 0 0
- -1.1598 -3.6334 0.0000 H 0 0 0
- 1.2798 -3.4478 0.0000 H 0 0 0
- -3.2211 -2.5330 0.0000 H 0 0 0
- -0.1273 3.4328 0.0000 H 0 0 0
- -2.6238 3.3700 0.0000 H 0 0 0
- 3.3742 -2.1719 0.0000 H 0 0 0
- -4.5291 2.0458 0.0000 H 0 0 0
- -5.5870 -1.1127 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 12 17 1 0
- 12 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 13 1 0
- 9 11 2 0
- 10 15 1 0
- 14 17 2 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91085-62-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 2.1443 -0.3387 0.0003 C 0 0 0
- 0.7502 -0.9110 0.0006 C 0 0 0
- 2.7836 -0.0756 1.1971 C 0 0 0
- 2.7860 -0.0823 -1.1972 C 0 0 0
- -0.4586 0.4415 -0.0002 S 0 0 0
- 4.0626 0.4494 1.1968 C 0 0 0
- 4.0646 0.4426 -1.1975 C 0 0 0
- -1.9563 -0.4866 0.0003 C 0 0 0
- 4.7019 0.7112 -0.0003 C 0 0 0
- -3.1222 0.1389 -0.0001 C 0 0 0
- -1.9022 -2.2218 0.0013 Cl 0 0 0
- -3.1764 1.8740 -0.0011 Cl 0 0 0
- -0.0960 -1.5101 0.0000 H 0 0 0
- 1.2498 -1.8194 0.0000 H 0 0 0
- 2.3895 0.8833 0.0000 H 0 0 0
- 3.1752 -1.0432 0.0000 H 0 0 0
- 3.6693 1.4087 0.0000 H 0 0 0
- 4.4628 -0.5146 0.0000 H 0 0 0
- 5.6593 1.1090 0.0000 H 0 0 0
- -4.0035 -0.4072 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 2 0
- 8 11 1 0
- 10 12 1 0
- 7 9 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67028-20-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.4302 0.1152 -0.0021 C 0 0 0
- -1.8330 -0.3297 -0.0017 C 0 0 0
- -0.1579 1.5079 0.0006 C 0 0 0
- 0.5458 -0.7794 0.0003 N 0 0 0
- -2.8653 0.6309 0.0016 C 0 0 0
- -2.1532 -1.6891 -0.0049 C 0 0 0
- 1.1623 1.9608 0.0003 C 0 0 0
- -1.2583 2.4691 0.0044 C 0 0 0
- 1.8255 -0.4161 0.0001 C 0 0 0
- -2.5400 2.0544 0.0039 C 0 0 0
- -4.2004 0.2051 0.0021 C 0 0 0
- -3.4739 -2.0770 -0.0048 C 0 0 0
- 2.1836 1.0050 -0.0032 C 0 0 0
- 2.8620 -1.3696 0.0036 C 0 0 0
- -4.4891 -1.1288 -0.0006 C 0 0 0
- 3.5426 1.3692 -0.0038 C 0 0 0
- 4.1562 -0.9542 0.0039 C 0 0 0
- 2.5381 -2.8414 0.0074 C 0 0 0
- 4.4942 0.3978 -0.0071 C 0 0 0
- -1.3921 -2.4099 0.0000 H 0 0 0
- 1.3817 2.9858 0.0000 H 0 0 0
- -1.0474 3.4959 0.0000 H 0 0 0
- -3.3132 2.7622 0.0000 H 0 0 0
- -4.9762 0.9101 0.0000 H 0 0 0
- -3.7157 -3.0970 0.0000 H 0 0 0
- -5.4896 -1.4418 0.0000 H 0 0 0
- 3.8191 2.3803 0.0000 H 0 0 0
- 4.9214 -1.6707 0.0000 H 0 0 0
- 1.5143 -2.6161 0.0000 H 0 0 0
- 2.3128 -3.8652 0.0000 H 0 0 0
- 3.5619 -3.0667 0.0000 H 0 0 0
- 5.5059 0.6724 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 1 0
- 17 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- -11.7755 0.9134 -0.1724 C 0 0 0
- -12.6687 -0.0340 0.3855 C 0 0 0
- -10.5327 0.4877 -0.6694 C 0 0 0
- -12.1545 2.2682 -0.2104 C 0 0 0
- -12.2875 -1.3918 0.4290 C 0 0 0
- -13.8513 0.3658 0.8603 N 0 0 0
- -10.1977 -0.8308 -0.6106 C 0 0 0
- -13.3762 2.6101 0.2965 C 0 0 0
- -11.0710 -1.7678 -0.0645 C 0 0 0
- -13.1259 -2.3198 0.9593 O 0 0 0
- -14.2102 1.6263 0.8226 C 0 0 0
- 2.5296 0.5021 -0.9401 C 0 0 0
- 1.6364 -0.4453 -0.3823 C 0 0 0
- 3.7724 0.0764 -1.4371 C 0 0 0
- 2.1506 1.8569 -0.9781 C 0 0 0
- 2.0175 -1.8031 -0.3387 C 0 0 0
- 0.4537 -0.0455 0.0925 N 0 0 0
- 4.1074 -1.2421 -1.3784 C 0 0 0
- 0.9289 2.1988 -0.4713 C 0 0 0
- 3.2341 -2.1791 -0.8322 C 0 0 0
- 1.1792 -2.7311 0.1916 O 0 0 0
- 0.0949 1.2150 0.0549 C 0 0 0
- 14.9083 0.3685 0.4745 S 0 0 0
- 13.9486 -0.6495 1.0739 O 0 0 0
- 16.1527 -0.3864 0.0295 O 0 0 0
- 14.2881 0.8279 -0.7186 O 0 0 0
- 15.3225 1.1920 1.5559 O 0 0 0
- -9.8181 1.1465 0.0000 H 0 0 0
- -11.4672 2.9554 0.0000 H 0 0 0
- -9.2562 -1.0719 0.0000 H 0 0 0
- -13.6610 3.5394 0.0000 H 0 0 0
- -10.8208 -2.7070 0.0000 H 0 0 0
- -13.7775 -3.0410 0.0000 H 0 0 0
- -15.1602 1.8317 0.0000 H 0 0 0
- 4.4870 0.7352 0.0000 H 0 0 0
- 2.8379 2.5441 0.0000 H 0 0 0
- 5.0489 -1.4832 0.0000 H 0 0 0
- 0.6441 3.1281 0.0000 H 0 0 0
- 3.4844 -3.1183 0.0000 H 0 0 0
- 0.5277 -3.4523 0.0000 H 0 0 0
- -0.8551 1.4204 0.0000 H 0 0 0
- 13.2819 -1.3567 0.0000 H 0 0 0
- 16.9837 -0.8905 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 12 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 17 22 1 0
- 23 24 1 0
- 23 25 1 0
- 23 26 2 0
- 23 27 2 0
- 7 9 1 0
- 8 11 2 0
- 18 20 1 0
- 19 22 2 0
- 3 28 1 0
- 4 29 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 10 33 1 0
- 11 34 1 0
- 14 35 1 0
- 15 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 24 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-49852-84-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.7692 0.1906 0.1132 C 0 0 0
- -2.1588 -0.0061 0.0267 C 0 0 0
- -0.2343 1.4808 -0.0505 C 0 0 0
- 0.1103 -0.9487 0.3791 C 0 0 0
- -3.0029 1.0998 -0.2246 C 0 0 0
- -2.7036 -1.2995 0.1905 C 0 0 0
- 1.2142 1.6505 0.0454 C 0 0 0
- -1.0948 2.5665 -0.2995 C 0 0 0
- 1.4789 -0.7548 0.4639 C 0 0 0
- -0.4858 -2.2743 0.5494 C 0 0 0
- -2.4365 2.3842 -0.3842 C 0 0 0
- -4.3852 0.8919 -0.3086 C 0 0 0
- -1.8232 -2.4357 0.4507 C 0 0 0
- -4.0869 -1.4644 0.0994 C 0 0 0
- 2.0363 0.5236 0.2983 C 0 0 0
- 1.8004 2.9126 -0.1105 C 0 0 0
- 2.3813 -1.9301 0.7383 C 0 0 0
- -4.9040 -0.3755 -0.1473 C 0 0 0
- 3.4312 0.7034 0.3870 C 0 0 0
- 3.1535 3.0484 -0.0181 C 0 0 0
- 2.8843 -2.6790 -0.8228 Cl 0 0 0
- 3.9657 1.9446 0.2302 C 0 0 0
- -0.7043 3.5362 0.0000 H 0 0 0
- 0.1336 -3.1164 0.0000 H 0 0 0
- -3.0652 3.2194 0.0000 H 0 0 0
- -5.0309 1.7140 0.0000 H 0 0 0
- -2.2262 -3.4003 0.0000 H 0 0 0
- -4.4980 -2.4256 0.0000 H 0 0 0
- 1.1947 3.7646 0.0000 H 0 0 0
- 3.4226 -1.8372 0.0000 H 0 0 0
- 2.8014 -0.9728 0.0000 H 0 0 0
- -5.9409 -0.5085 0.0000 H 0 0 0
- 4.0607 -0.1312 0.0000 H 0 0 0
- 3.5781 4.0037 0.0000 H 0 0 0
- 5.0043 2.0634 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-486-66-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.8043 0.5595 0.0168 C 0 0 0
- -2.2575 -0.7528 0.2430 C 0 0 0
- -0.3590 0.8243 0.1435 C 0 0 0
- -2.7045 1.5693 -0.3221 C 0 0 0
- -1.3786 -1.7197 0.5766 O 0 0 0
- -3.6117 -1.0309 0.1210 C 0 0 0
- 0.5173 -0.3590 0.2242 C 0 0 0
- 0.0865 1.9584 0.1800 O 0 0 0
- -4.0341 1.2788 -0.4386 C 0 0 0
- -0.0564 -1.5739 0.4332 C 0 0 0
- -4.4936 -0.0178 -0.2159 C 0 0 0
- 1.9877 -0.2274 0.0800 C 0 0 0
- -5.8178 -0.2914 -0.3349 O 0 0 0
- 2.6514 -0.8971 -0.9463 C 0 0 0
- 2.7079 0.5712 0.9671 C 0 0 0
- 4.0190 -0.7723 -1.0781 C 0 0 0
- 4.0748 0.6920 0.8301 C 0 0 0
- 4.7338 0.0193 -0.1900 C 0 0 0
- 6.0810 0.1403 -0.3225 O 0 0 0
- -2.3914 2.5342 0.0000 H 0 0 0
- -3.9366 -1.9919 0.0000 H 0 0 0
- -4.7051 2.0397 0.0000 H 0 0 0
- 0.5328 -2.3997 0.0000 H 0 0 0
- -6.8113 -0.4967 0.0000 H 0 0 0
- 2.3041 -1.8503 0.0000 H 0 0 0
- 2.2552 1.4791 0.0000 H 0 0 0
- 4.4727 -1.6797 0.0000 H 0 0 0
- 4.4262 1.6436 0.0000 H 0 0 0
- 7.0914 0.2311 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 11 13 1 0
- 12 14 2 0
- 12 15 1 0
- 14 16 1 0
- 15 17 2 0
- 16 18 2 0
- 18 19 1 0
- 7 10 2 0
- 9 11 1 0
- 17 18 1 0
- 4 20 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120-78-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- -4.2644 -0.1064 -0.5307 C 0 0 0
- -3.9687 -0.8650 0.6246 C 0 0 0
- -3.3117 0.7701 -0.9158 N 0 0 0
- -5.5185 -0.3532 -1.1358 C 0 0 0
- -2.3556 -0.2672 1.0688 S 0 0 0
- -4.8345 -1.7953 1.1413 C 0 0 0
- -2.1787 0.9131 -0.2614 C 0 0 0
- -6.3792 -1.2816 -0.6100 C 0 0 0
- -6.0515 -2.0147 0.5210 C 0 0 0
- -0.8302 1.9926 -0.6092 S 0 0 0
- 0.8303 1.9923 0.6100 S 0 0 0
- 2.1792 0.9138 0.2611 C 0 0 0
- 3.3123 0.7705 0.9154 N 0 0 0
- 2.3539 -0.2696 -1.0667 S 0 0 0
- 4.2658 -0.1045 0.5288 C 0 0 0
- 3.9697 -0.8631 -0.6265 C 0 0 0
- 5.5178 -0.3552 1.1367 C 0 0 0
- 4.8352 -1.7939 -1.1431 C 0 0 0
- 6.3772 -1.2855 0.6122 C 0 0 0
- 6.0542 -2.0101 -0.5257 C 0 0 0
- -5.9812 0.4764 0.0000 H 0 0 0
- -4.3792 -2.6290 0.0000 H 0 0 0
- -7.3164 -1.1269 0.0000 H 0 0 0
- -6.4952 -2.8546 0.0000 H 0 0 0
- 5.9826 0.4732 0.0000 H 0 0 0
- 4.3809 -2.6281 0.0000 H 0 0 0
- 7.3144 -1.1311 0.0000 H 0 0 0
- 6.4995 -2.8491 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 5 7 1 0
- 8 9 1 0
- 15 16 2 0
- 19 20 1 0
- 4 21 1 0
- 6 22 1 0
- 8 23 1 0
- 9 24 1 0
- 17 25 1 0
- 18 26 1 0
- 19 27 1 0
- 20 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71382-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 1.5935 2.2345 -0.2483 C 0 0 0
- 0.6912 1.0262 -0.1484 C 0 0 0
- 3.1116 2.0030 -0.2495 C 0 0 0
- 2.3885 2.3482 0.9817 N 0 0 0
- 1.2447 -0.2553 -0.0616 C 0 0 0
- -0.6612 1.2063 -0.1439 C 0 0 0
- 3.6129 0.5820 -0.1525 C 0 0 0
- 2.7128 -0.4733 -0.0636 C 0 0 0
- 0.4125 -1.3654 0.0301 C 0 0 0
- -1.5155 0.1061 -0.0522 C 0 0 0
- 4.9720 0.3384 -0.1518 C 0 0 0
- 3.1982 -1.7811 0.0258 C 0 0 0
- -0.9756 -1.1979 0.0355 C 0 0 0
- -2.9724 0.2663 -0.0434 C 0 0 0
- 5.4449 -0.9583 -0.0634 C 0 0 0
- 4.5567 -2.0152 0.0266 C 0 0 0
- -1.8414 -2.3138 0.1286 C 0 0 0
- -3.7823 -0.8878 0.0523 C 0 0 0
- -3.5692 1.5260 -0.1267 C 0 0 0
- -3.1812 -2.1654 0.1356 C 0 0 0
- -5.1770 -0.7451 0.0617 C 0 0 0
- -4.9309 1.6316 -0.1148 C 0 0 0
- -5.7308 0.4988 -0.0213 C 0 0 0
- 1.0600 3.1332 0.0000 H 0 0 0
- 3.8888 2.7017 0.0000 H 0 0 0
- 2.5464 3.3813 0.0000 H 0 0 0
- -1.0576 2.1733 0.0000 H 0 0 0
- 0.8230 -2.3265 0.0000 H 0 0 0
- 5.6446 1.1382 0.0000 H 0 0 0
- 2.5305 -2.5851 0.0000 H 0 0 0
- 6.4741 -1.1398 0.0000 H 0 0 0
- 4.9157 -2.9967 0.0000 H 0 0 0
- -1.4341 -3.2762 0.0000 H 0 0 0
- -2.9766 2.3868 0.0000 H 0 0 0
- -3.7890 -3.0156 0.0000 H 0 0 0
- -5.7901 -1.5914 0.0000 H 0 0 0
- -5.3754 2.5774 0.0000 H 0 0 0
- -6.7709 0.6010 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 17 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 3 4 1 0
- 7 8 2 0
- 10 13 1 0
- 15 16 1 0
- 18 20 1 0
- 22 23 1 0
- 1 24 1 0
- 3 25 1 0
- 4 26 1 0
- 6 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-41-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- 0.0224 -0.4012 0.0544 C 0 0 0
- -1.2641 0.3834 0.0362 C 0 0 0
- 1.2073 0.5276 0.1210 C 0 0 0
- 0.0386 -1.3439 1.1863 N 0 0 0
- 0.1166 -1.2993 -1.1631 C 0 0 0
- -1.7814 0.8347 -1.1633 C 0 0 0
- -1.9298 0.6470 1.2190 C 0 0 0
- 2.2363 0.4017 -0.7930 C 0 0 0
- 1.2622 1.5094 1.0929 C 0 0 0
- 0.1270 -2.5780 0.6580 C 0 0 0
- 0.1718 -2.5578 -0.6842 N 0 0 0
- 0.1372 -0.9567 -2.3259 O 0 0 0
- -2.9616 1.5546 -1.1800 C 0 0 0
- -3.1096 1.3666 1.2023 C 0 0 0
- 3.3233 1.2539 -0.7319 C 0 0 0
- 2.3488 2.3613 1.1540 C 0 0 0
- 0.1632 -3.5958 1.3212 O 0 0 0
- -3.6241 1.8230 0.0029 C 0 0 0
- 3.3810 2.2316 0.2433 C 0 0 0
- -0.7245 -1.3778 0.0000 H 0 0 0
- -1.3298 1.4508 0.0000 H 0 0 0
- -2.2705 -0.0366 0.0000 H 0 0 0
- 2.4412 -0.3341 0.0000 H 0 0 0
- 0.5850 1.8627 0.0000 H 0 0 0
- 0.8223 -2.9581 0.0000 H 0 0 0
- -2.6182 2.2369 0.0000 H 0 0 0
- -3.5637 0.7524 0.0000 H 0 0 0
- 4.0000 0.8995 0.0000 H 0 0 0
- 2.1451 3.0975 0.0000 H 0 0 0
- -4.2732 2.2257 0.0000 H 0 0 0
- 3.9684 2.7198 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 2 0
- 10 17 2 0
- 13 18 2 0
- 15 19 2 0
- 10 11 1 0
- 14 18 1 0
- 16 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-75-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 54 1 V2000
- 0.7125 -2.1993 -0.1881 C 0 0 0
- -0.6470 -2.0171 0.1287 C 0 0 0
- 1.5074 -1.0758 -0.7281 C 0 0 0
- 1.3054 -3.4426 0.0156 C 0 0 0
- -1.2888 -0.7012 -0.0775 C 0 0 0
- -1.3836 -3.0837 0.6370 C 0 0 0
- 2.6254 -0.6750 -0.0924 O 0 0 0
- 1.1525 -0.5142 -1.7448 O 0 0 0
- 0.5595 -4.4885 0.5261 C 0 0 0
- -2.6153 -0.5620 0.1106 O 0 0 0
- -0.6199 0.2542 -0.4165 O 0 0 0
- -0.7793 -4.3122 0.8276 C 0 0 0
- 3.4061 0.4285 -0.6228 C 0 0 0
- -3.2456 0.7303 -0.0919 C 0 0 0
- 4.6148 0.6788 0.2812 C 0 0 0
- -4.7458 0.6151 0.1858 C 0 0 0
- 5.4375 1.8414 -0.2776 C 0 0 0
- -5.4100 1.9768 -0.0276 C 0 0 0
- 6.6463 2.0917 0.6264 C 0 0 0
- -6.9101 1.8616 0.2501 C 0 0 0
- 7.4689 3.2544 0.0675 C 0 0 0
- -7.5743 3.2233 0.0367 C 0 0 0
- 8.6777 3.5047 0.9715 C 0 0 0
- -9.0745 3.1081 0.3144 C 0 0 0
- 2.3293 -3.5322 0.0000 H 0 0 0
- -2.4086 -3.0081 0.0000 H 0 0 0
- 0.9693 -5.4310 0.0000 H 0 0 0
- -1.3784 -5.1473 0.0000 H 0 0 0
- 3.4771 1.4538 0.0000 H 0 0 0
- 2.4380 0.7736 0.0000 H 0 0 0
- -2.2726 1.0615 0.0000 H 0 0 0
- -3.4522 1.7371 0.0000 H 0 0 0
- 4.5438 -0.3465 0.0000 H 0 0 0
- 5.5829 0.3336 0.0000 H 0 0 0
- -5.7188 0.2839 0.0000 H 0 0 0
- -4.5392 -0.3917 0.0000 H 0 0 0
- 5.5085 2.8667 0.0000 H 0 0 0
- 4.4694 2.1866 0.0000 H 0 0 0
- -4.4370 2.3080 0.0000 H 0 0 0
- -5.6166 2.9836 0.0000 H 0 0 0
- 6.5753 1.0664 0.0000 H 0 0 0
- 7.6144 1.7466 0.0000 H 0 0 0
- -7.8831 1.5304 0.0000 H 0 0 0
- -6.7035 0.8548 0.0000 H 0 0 0
- 7.5399 4.2797 0.0000 H 0 0 0
- 6.5008 3.5995 0.0000 H 0 0 0
- -6.6013 3.5545 0.0000 H 0 0 0
- -7.7809 4.2301 0.0000 H 0 0 0
- 8.8861 2.4983 0.0000 H 0 0 0
- 9.6841 3.7131 0.0000 H 0 0 0
- 8.4693 4.5111 0.0000 H 0 0 0
- -9.1532 4.1329 0.0000 H 0 0 0
- -10.0993 3.0294 0.0000 H 0 0 0
- -8.9958 2.0833 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 9 12 1 0
- 4 25 1 0
- 6 26 1 0
- 9 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 22 47 1 0
- 22 48 1 0
- 23 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33757-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.7011 -0.2364 -0.1701 C 0 0 0
- -1.7856 0.6441 0.0637 C 0 0 0
- 0.5831 0.3037 -0.4013 C 0 0 0
- -0.9043 -1.5562 -0.1749 N 0 0 0
- -1.5691 2.0318 0.0619 C 0 0 0
- -3.0648 0.1037 0.2940 C 0 0 0
- 0.7554 1.6701 -0.3949 C 0 0 0
- 1.6705 -0.5416 -0.6352 N 0 0 0
- -2.0953 -2.0635 0.0337 C 0 0 0
- -0.3198 2.5238 -0.1645 C 0 0 0
- -3.2024 -1.2553 0.2811 C 0 0 0
- 2.7801 -0.4377 0.1227 C 0 0 0
- 3.9999 -1.2573 -0.2109 C 0 0 0
- 2.7969 0.3154 1.0732 O 0 0 0
- -2.3728 2.6754 0.0000 H 0 0 0
- -3.8932 0.7153 0.0000 H 0 0 0
- 1.7089 2.0589 0.0000 H 0 0 0
- 1.3823 -1.5301 0.0000 H 0 0 0
- -2.2124 -3.0865 0.0000 H 0 0 0
- -0.1680 3.5422 0.0000 H 0 0 0
- -4.1427 -1.6748 0.0000 H 0 0 0
- 3.4256 -2.1120 0.0000 H 0 0 0
- 4.8546 -1.8316 0.0000 H 0 0 0
- 4.5742 -0.4026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 10 1 0
- 9 11 2 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-97-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.9679 0.7045 0.0000 C 0 0 0
- -0.9680 -0.7044 0.0000 C 0 0 0
- 0.3188 1.1081 0.0000 C 0 0 0
- 0.3187 -1.1081 0.0000 C 0 0 0
- 1.1131 0.0000 0.0000 N 0 0 0
- -1.7920 1.3098 0.0000 H 0 0 0
- -1.7922 -1.3096 0.0000 H 0 0 0
- 0.6428 2.0779 0.0000 H 0 0 0
- 0.6427 -2.0780 0.0000 H 0 0 0
- 2.1356 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19900-72-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 48 1 V2000
- 1.2246 -0.0678 -0.6815 C 0 0 0
- 1.3109 -1.0670 0.2702 C 0 0 0
- -0.0028 0.0399 -1.5492 C 0 0 0
- 2.2597 0.8365 -0.8352 C 0 0 0
- 2.4345 -1.1687 1.0671 C 0 0 0
- 0.1777 -2.0460 0.4386 C 0 0 0
- -1.2302 0.1056 -0.6772 C 0 0 0
- 3.3835 0.7439 -0.0383 C 0 0 0
- 2.1612 1.9239 -1.8739 C 0 0 0
- 3.4783 -0.2657 0.9116 C 0 0 0
- 0.3785 -3.2271 -0.5130 C 0 0 0
- -1.3221 1.0662 0.3135 C 0 0 0
- -2.2642 -0.7911 -0.8731 C 0 0 0
- 4.6157 -0.3653 1.7160 N 0 0 0
- -2.4453 1.1291 1.1143 C 0 0 0
- -0.1950 2.0451 0.5197 C 0 0 0
- -3.3906 -0.7338 -0.0757 C 0 0 0
- -2.1625 -1.8319 -1.9583 C 0 0 0
- -3.4837 0.2261 0.9239 C 0 0 0
- -0.3066 3.1748 -0.5061 C 0 0 0
- -4.6210 0.2866 1.7323 N 0 0 0
- 0.4786 0.7438 0.0000 H 0 0 0
- -0.3805 0.8045 0.0000 H 0 0 0
- 2.6958 -1.9805 0.0000 H 0 0 0
- -0.2543 -1.3107 0.0000 H 0 0 0
- -0.6235 -2.3382 0.0000 H 0 0 0
- 3.9831 1.3503 0.0000 H 0 0 0
- 3.0105 2.0008 0.0000 H 0 0 0
- 2.0843 2.7732 0.0000 H 0 0 0
- 1.3119 1.8470 0.0000 H 0 0 0
- -0.4622 -3.3700 0.0000 H 0 0 0
- 0.5214 -4.0678 0.0000 H 0 0 0
- 1.2192 -3.0842 0.0000 H 0 0 0
- 4.9760 -1.1382 0.0000 H 0 0 0
- 5.1049 0.3332 0.0000 H 0 0 0
- -2.7216 1.9359 0.0000 H 0 0 0
- 0.2210 1.3007 0.0000 H 0 0 0
- 0.6187 2.3004 0.0000 H 0 0 0
- -3.9796 -1.3505 0.0000 H 0 0 0
- -3.0112 -1.9148 0.0000 H 0 0 0
- -2.0796 -2.6806 0.0000 H 0 0 0
- -1.3138 -1.7490 0.0000 H 0 0 0
- 0.5421 3.2586 0.0000 H 0 0 0
- -0.3904 4.0235 0.0000 H 0 0 0
- -1.1553 3.0910 0.0000 H 0 0 0
- -5.0076 1.0467 0.0000 H 0 0 0
- -5.0860 -0.4282 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 10 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 15 19 1 0
- 16 20 1 0
- 19 21 1 0
- 8 10 1 0
- 17 19 2 0
- 3 22 1 0
- 3 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 11 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
- 20 43 1 0
- 20 44 1 0
- 20 45 1 0
- 21 46 1 0
- 21 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- -0.7120 -0.1546 0.0000 C 0 0 0
- 0.6627 -0.6810 0.0000 C 0 0 0
- -1.7728 0.2516 0.0000 N 0 0 0
- 1.5893 0.4069 0.0000 O 0 0 0
- 0.1688 -1.6322 0.0000 H 0 0 0
- 1.5519 -1.2793 0.0000 H 0 0 0
- 2.2843 1.2228 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 3 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 4 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-54-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 1.2305 0.1400 -0.0011 C 0 0 0
- 0.0000 1.0101 0.0005 C 0 0 0
- 2.5992 0.7705 -0.0008 C 0 0 0
- 1.1196 -1.0625 0.0023 O 0 0 0
- -1.2305 0.1400 -0.0002 C 0 0 0
- -2.5992 0.7705 0.0011 C 0 0 0
- -1.1196 -1.0625 -0.0019 O 0 0 0
- 0.7527 1.8532 0.0000 H 0 0 0
- -0.7527 1.8532 0.0000 H 0 0 0
- 3.0721 -0.2560 0.0000 H 0 0 0
- 3.6257 1.2434 0.0000 H 0 0 0
- 2.1263 1.7970 0.0000 H 0 0 0
- -2.1263 1.7970 0.0000 H 0 0 0
- -3.6257 1.2434 0.0000 H 0 0 0
- -3.0721 -0.2560 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 5 7 2 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 3 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10184-51-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -1.9513 -1.8599 0.0017 N 0 0 0
- -1.2166 -0.6840 0.0026 C 0 0 0
- 0.1876 -0.7142 0.0010 C 0 0 0
- -1.8249 0.4979 -0.0006 N 0 3 0
- 0.8778 0.5102 0.0014 C 0 0 0
- 1.1194 -1.6977 -0.0011 N 0 0 0
- -3.0420 0.5442 -0.0035 O 0 0 0
- -1.1331 1.6230 -0.0003 C 0 5 0
- 2.2134 0.1912 -0.0004 N 0 0 0
- 0.1841 1.6427 0.0030 N 0 0 0
- 2.3084 -1.1686 -0.0019 C 0 0 0
- 3.3310 1.1384 -0.0011 C 0 0 0
- -2.9668 -1.8245 0.0000 H 0 0 0
- -1.4742 -2.7570 0.0000 H 0 0 0
- 3.1793 -1.6920 0.0000 H 0 0 0
- 3.9880 0.3632 0.0000 H 0 0 0
- 4.1062 1.7954 0.0000 H 0 0 0
- 2.6740 1.9136 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 2 0
- 11 6 2 0
- 12 9 1 0
- 8 10 1 0
- 9 11 1 0
- 1 13 1 0
- 1 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53175-28-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.2462 -0.1676 -0.0024 C 0 0 0
- -1.2936 -0.9958 -0.0017 C 0 0 0
- -0.4584 1.2806 0.0005 C 0 0 0
- 1.3671 -0.8085 0.0006 Cl 0 0 0
- -2.6942 -0.4395 0.0020 C 0 0 0
- 0.4932 2.0331 -0.0001 O 0 0 0
- -1.1345 -2.0820 0.0000 H 0 0 0
- -1.4786 1.6858 0.0000 H 0 0 0
- -2.2890 0.5807 0.0000 H 0 0 0
- -3.7144 -0.0343 0.0000 H 0 0 0
- -3.0994 -1.4597 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-51-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.7267 -0.1402 -0.3196 C 0 0 0
- -1.6940 0.7820 0.1194 C 0 0 0
- 0.4923 0.6355 -0.5603 C 0 0 0
- -1.0578 -1.4911 -0.4434 C 0 0 0
- -1.0942 2.0212 0.1392 N 0 0 0
- -2.9732 0.3320 0.4302 C 0 0 0
- 0.2076 1.9145 -0.2687 C 0 0 0
- 1.8153 0.0993 -1.0433 C 0 0 0
- -2.3214 -1.9106 -0.1370 C 0 0 0
- -3.2770 -1.0057 0.3053 C 0 0 0
- 2.6596 -0.2958 0.1407 C 0 0 0
- 3.8878 -0.8027 -0.0500 O 0 0 0
- 2.2310 -0.1564 1.2618 O 0 0 0
- -0.3226 -2.1696 0.0000 H 0 0 0
- -1.5905 2.8899 0.0000 H 0 0 0
- -3.7201 0.9976 0.0000 H 0 0 0
- 0.8649 2.6688 0.0000 H 0 0 0
- 2.6254 0.6863 0.0000 H 0 0 0
- 1.6945 1.0924 0.0000 H 0 0 0
- -2.5386 -2.8872 0.0000 H 0 0 0
- -4.2343 -1.2962 0.0000 H 0 0 0
- 4.8126 -1.1844 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 1 0
- 11 13 2 0
- 5 7 1 0
- 9 10 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2016-88-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -1.6493 0.1204 -0.0396 C 0 0 0
- -2.7411 1.0489 -0.3792 C 0 0 0
- -0.5099 0.5902 0.6333 C 0 0 0
- -1.7433 -1.1694 -0.3658 N 0 0 0
- -3.8141 1.1519 0.4298 N 0 0 0
- -2.6743 1.7225 -1.3893 O 0 0 0
- 0.4710 -0.2515 0.9371 N 0 0 0
- -0.4094 1.9256 0.9780 N 0 0 0
- -0.7691 -1.9983 -0.0624 C 0 0 0
- -4.8915 1.9272 0.0516 C 0 0 0
- 0.3713 -1.5316 0.6045 C 0 0 0
- -0.8964 -3.6763 -0.4885 Cl 0 0 0
- -5.9232 2.1470 0.9330 N 0 0 0
- -4.9307 2.4506 -1.1401 N 0 0 0
- 1.3938 -2.4089 0.9208 N 0 0 0
- 11.4662 1.3261 -0.2225 Cl 0 0 0
- -4.1531 0.2506 0.0000 H 0 0 0
- 0.4583 2.3431 0.0000 H 0 0 0
- -1.2049 2.4683 0.0000 H 0 0 0
- -6.2203 3.0630 0.0000 H 0 0 0
- -6.5679 1.4317 0.0000 H 0 0 0
- -5.0026 3.4109 0.0000 H 0 0 0
- 1.2162 -3.3554 0.0000 H 0 0 0
- 2.3023 -2.0895 0.0000 H 0 0 0
- 12.4292 1.3261 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 9 11 1 0
- 5 17 1 0
- 8 18 1 0
- 8 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2735-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.0760 -0.2671 -0.0030 C 0 0 0
- -0.1299 -0.9483 -0.0031 C 0 0 0
- 1.0867 1.1256 -0.0006 C 0 0 0
- 2.2480 -0.9572 0.0004 O 0 0 0
- -1.3240 -0.2428 -0.0008 C 0 0 0
- -0.1098 1.8267 0.0017 C 0 0 0
- 2.3060 1.8182 -0.0001 N 0 0 0
- 1.9098 -2.3456 0.0034 C 0 0 0
- -1.3117 1.1440 0.0011 C 0 0 0
- -2.5081 -0.9117 -0.0008 O 0 0 0
- -3.5405 0.0763 0.0018 C 0 0 0
- -0.1400 -1.9884 0.0000 H 0 0 0
- -0.1028 2.8668 0.0000 H 0 0 0
- 3.2031 1.2918 0.0000 H 0 0 0
- 2.3133 2.8583 0.0000 H 0 0 0
- 0.8992 -2.0994 0.0000 H 0 0 0
- 1.6636 -3.3562 0.0000 H 0 0 0
- 2.9204 -2.5918 0.0000 H 0 0 0
- -2.2083 1.6712 0.0000 H 0 0 0
- -2.8213 0.8278 0.0000 H 0 0 0
- -4.2920 0.7955 0.0000 H 0 0 0
- -4.2597 -0.6752 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21416-67-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -2.4250 -0.4099 -0.3392 N 0 0 0
- -3.5705 -1.3148 -0.4991 C 0 0 0
- -2.6189 0.2990 0.9322 C 0 0 0
- -1.2372 -1.2580 -0.1727 C 0 0 0
- -4.8453 -0.5132 -0.5378 C 0 0 0
- -3.9023 1.0860 0.8806 C 0 0 0
- 0.0000 -0.3746 0.0001 C 0 0 0
- -4.9416 0.6415 0.1485 N 0 0 0
- -5.7879 -0.9088 -1.1894 O 0 0 0
- -3.9999 2.1235 1.5001 O 0 0 0
- 1.2372 -1.2579 0.1735 C 0 0 0
- 2.4250 -0.4097 0.3394 N 0 0 0
- 3.5705 -1.3144 0.5000 C 0 0 0
- 2.6189 0.2984 -0.9324 C 0 0 0
- 4.8453 -0.5129 0.5381 C 0 0 0
- 3.9023 1.0855 -0.8813 C 0 0 0
- 4.9416 0.6414 -0.1489 N 0 0 0
- 5.7879 -0.9081 1.1900 O 0 0 0
- 3.9999 2.1225 -1.5014 O 0 0 0
- -4.1840 -2.0813 0.0000 H 0 0 0
- -2.8785 -2.0113 0.0000 H 0 0 0
- -1.6371 0.2937 0.0000 H 0 0 0
- -2.3497 1.2432 0.0000 H 0 0 0
- -1.8922 -1.9894 0.0000 H 0 0 0
- -0.5822 -1.9894 0.0000 H 0 0 0
- 0.6549 0.3569 0.0000 H 0 0 0
- -0.6550 0.3568 0.0000 H 0 0 0
- -5.7829 1.1477 0.0000 H 0 0 0
- 0.5823 -1.9894 0.0000 H 0 0 0
- 1.8922 -1.9893 0.0000 H 0 0 0
- 2.8785 -2.0109 0.0000 H 0 0 0
- 4.1840 -2.0809 0.0000 H 0 0 0
- 2.3498 1.2426 0.0000 H 0 0 0
- 1.6371 0.2933 0.0000 H 0 0 0
- 5.7828 1.1478 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 2 0
- 6 8 1 0
- 16 17 1 0
- 2 20 1 0
- 2 21 1 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 17 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6223-35-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -0.9080 0.2300 -0.1674 C 0 0 0
- -1.8868 -0.8832 -0.1847 C 0 0 0
- 0.2487 -0.2526 -0.7783 C 0 0 0
- -1.0753 1.5163 0.3539 C 0 0 0
- -1.2502 -1.9583 -0.8051 C 0 0 0
- -3.1929 -0.8892 0.3117 C 0 0 0
- 0.0289 -1.5658 -1.1555 C 0 0 0
- 1.7377 0.6557 -1.0283 S 0 0 0
- -2.2002 2.0363 0.9724 C 0 0 0
- 0.1049 2.4450 0.2278 C 0 0 0
- -1.8539 -3.3169 -1.0517 C 0 0 0
- -3.8645 0.1514 0.9334 C 0 0 0
- 1.4139 1.6792 -1.9594 O 0 0 0
- 2.2844 0.8648 0.2665 O 0 0 0
- 2.7158 -0.2627 -1.7468 O 0 0 0
- -3.4187 1.4288 1.2271 C 0 0 0
- -5.2756 -0.1558 1.3642 C 0 0 0
- -6.1101 -0.5397 0.1406 C 0 0 0
- -5.2636 -1.3186 2.3585 C 0 0 0
- 11.8760 -0.8972 1.8706 Na 0 3 0
- -3.6641 -1.7588 0.0000 H 0 0 0
- 0.7729 -2.2176 0.0000 H 0 0 0
- -2.2148 3.0253 0.0000 H 0 0 0
- 0.7166 1.6677 0.0000 H 0 0 0
- 0.8822 3.0567 0.0000 H 0 0 0
- -0.5068 3.2223 0.0000 H 0 0 0
- -2.7578 -2.9153 0.0000 H 0 0 0
- -2.2555 -4.2208 0.0000 H 0 0 0
- -0.9500 -3.7185 0.0000 H 0 0 0
- -4.1610 2.0825 0.0000 H 0 0 0
- -5.5893 0.7822 0.0000 H 0 0 0
- -6.5235 0.3589 0.0000 H 0 0 0
- -7.0087 -0.9531 0.0000 H 0 0 0
- -5.6967 -1.4383 0.0000 H 0 0 0
- -6.2526 -1.3288 0.0000 H 0 0 0
- -5.2534 -2.3076 0.0000 H 0 0 0
- -4.2746 -1.3084 0.0000 H 0 0 0
- 3.4369 -0.9397 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 8 14 2 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 17 18 1 0
- 17 19 1 0
- 5 7 2 0
- 12 16 2 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 15 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-14-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 39 1 V2000
- -0.8686 0.0001 -0.0084 C 0 0 0
- -0.1801 -1.2007 0.0030 C 0 0 0
- -0.1804 1.2007 0.0022 C 0 0 0
- -2.3752 0.0001 -0.0388 C 0 0 0
- 1.1983 -1.2090 0.0246 C 0 0 0
- -0.9259 -2.4793 -0.0085 N 0 3 0
- 1.1984 1.2091 0.0248 C 0 0 0
- -0.9263 2.4791 -0.0102 N 0 3 0
- -2.9143 0.0004 1.3931 C 0 0 0
- -2.8706 1.2491 -0.7706 C 0 0 0
- -2.8705 -1.2494 -0.7699 C 0 0 0
- 1.9012 0.0002 0.0355 C 0 0 0
- 1.9459 -2.5175 0.0370 C 0 0 0
- -0.9644 -3.1527 -1.0227 O 0 0 0
- -1.5011 -2.8579 0.9961 O 0 5 0
- 1.9459 2.5176 0.0373 C 0 0 0
- -1.5131 2.8515 0.9901 O 0 0 0
- -0.9532 3.1587 -1.0206 O 0 5 0
- 3.3727 0.0003 0.0591 C 0 0 0
- 4.1052 0.0150 1.3760 C 0 0 0
- 3.9957 -0.0115 -0.9811 O 0 0 0
- -2.9137 1.0345 0.0000 H 0 0 0
- -3.9484 0.0010 0.0000 H 0 0 0
- -2.9149 -1.0337 0.0000 H 0 0 0
- -1.9093 1.6304 0.0000 H 0 0 0
- -3.2519 2.2104 0.0000 H 0 0 0
- -3.8319 0.8678 0.0000 H 0 0 0
- -3.8318 -0.8683 0.0000 H 0 0 0
- -3.2516 -2.2107 0.0000 H 0 0 0
- -1.9092 -1.6305 0.0000 H 0 0 0
- 1.0480 -3.0305 0.0000 H 0 0 0
- 2.4589 -3.4154 0.0000 H 0 0 0
- 2.8438 -2.0045 0.0000 H 0 0 0
- 2.8438 2.0046 0.0000 H 0 0 0
- 2.4589 3.4155 0.0000 H 0 0 0
- 1.0480 3.0306 0.0000 H 0 0 0
- 4.1259 -1.0189 0.0000 H 0 0 0
- 5.1391 0.0357 0.0000 H 0 0 0
- 4.0845 1.0489 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 2 0
- 6 15 1 0
- 7 16 1 0
- 8 17 2 0
- 8 18 1 0
- 12 19 1 0
- 19 20 1 0
- 19 21 2 0
- 7 12 2 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51775-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.4878 0.1752 -0.5369 C 0 0 1
- -1.0520 0.2101 -0.2365 C 0 0 0
- 1.0448 0.9141 0.7177 C 0 0 0
- 0.8027 -1.3268 -0.2630 C 0 0 1
- 0.9263 0.7315 -1.8930 C 0 0 0
- -0.9591 -0.4264 1.1949 C 0 0 2
- -1.5957 1.6396 -0.1941 C 0 0 0
- -1.8452 -0.6697 -1.2049 C 0 0 0
- 0.0872 0.5159 1.8639 C 0 0 0
- 2.7222 0.3608 1.0797 Cl 0 0 0
- 1.0115 2.6986 0.4624 Cl 0 0 0
- -0.1549 -1.7250 0.8831 C 0 0 2
- 0.4185 -2.2989 -1.7321 Cl 0 0 0
- 2.7183 0.6026 -2.0445 Cl 0 0 0
- -3.3003 1.6171 0.3928 Cl 0 0 0
- -3.5580 -0.7788 -0.6523 Cl 0 0 0
- 0.8069 -2.1988 2.3326 Cl 0 0 0
- 1.8996 -1.4201 0.0000 H 0 0 0
- 1.2203 1.7923 0.0000 H 0 0 0
- -0.0557 1.2290 0.0000 H 0 0 0
- -1.9933 -0.8036 0.0000 H 0 0 0
- -0.5282 1.9084 0.0000 H 0 0 0
- -1.7383 2.7311 0.0000 H 0 0 0
- -2.0662 -1.7481 0.0000 H 0 0 0
- -0.8627 -1.1662 0.0000 H 0 0 0
- 0.1054 1.6166 0.0000 H 0 0 0
- -0.9147 0.9719 0.0000 H 0 0 0
- -0.8947 -2.5401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 12 17 1 0
- 6 9 1 0
- 6 12 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-634-66-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.6922 -0.3035 -0.0018 C 0 0 0
- -0.6922 -0.3035 -0.0010 C 0 0 0
- 1.3835 0.8957 -0.0010 C 0 0 0
- 1.5607 -1.8067 0.0033 Cl 0 0 0
- -1.3835 0.8957 0.0006 C 0 0 0
- -1.5607 -1.8067 -0.0026 Cl 0 0 0
- 0.6910 2.0935 0.0006 C 0 0 0
- 3.1195 0.8968 -0.0015 Cl 0 0 0
- -0.6910 2.0935 0.0015 C 0 0 0
- -3.1195 0.8968 0.0011 Cl 0 0 0
- 1.2098 2.9928 0.0000 H 0 0 0
- -1.2098 2.9928 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 9 2 0
- 7 11 1 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5742-17-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- -2.9322 -0.2207 0.0458 C 0 0 0
- -3.8878 0.7187 -0.3180 C 0 0 0
- -1.7029 0.1965 0.5327 C 0 0 0
- -3.2037 -1.5478 -0.0699 O 0 0 0
- -3.6115 2.0672 -0.1940 C 0 0 0
- -5.4282 0.1998 -0.9274 Cl 0 0 0
- -1.4307 1.5459 0.6551 C 0 0 0
- -2.0406 -2.2477 0.3764 C 0 0 0
- -2.3836 2.4807 0.2923 C 0 0 0
- -2.2772 -3.7324 0.2729 C 0 0 0
- -2.0386 4.1751 0.4471 Cl 0 0 0
- -1.3145 -4.5927 0.6402 O 0 0 0
- -3.3336 -4.1484 -0.1405 O 0 0 0
- 12.7656 -0.1849 -0.5195 C 0 0 0
- 11.7127 0.8503 -0.9204 C 0 0 0
- 14.0211 0.5322 -0.0189 C 0 0 0
- 12.2306 -1.0389 0.5493 N 0 0 0
- -0.9392 -0.4751 0.0000 H 0 0 0
- -4.3734 2.7409 0.0000 H 0 0 0
- -0.4585 1.8445 0.0000 H 0 0 0
- -1.0649 -2.5345 0.0000 H 0 0 0
- -1.6317 -1.3165 0.0000 H 0 0 0
- -0.5562 -5.2704 0.0000 H 0 0 0
- 13.4700 -0.9185 0.0000 H 0 0 0
- 12.4257 1.5755 0.0000 H 0 0 0
- 10.9875 1.5633 0.0000 H 0 0 0
- 10.9997 0.1251 0.0000 H 0 0 0
- 14.5255 -0.3509 0.0000 H 0 0 0
- 14.9042 1.0366 0.0000 H 0 0 0
- 13.5167 1.4153 0.0000 H 0 0 0
- 11.2142 -1.0022 0.0000 H 0 0 0
- 12.7070 -1.9374 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 14 15 1 0
- 14 16 1 0
- 14 17 1 0
- 7 9 2 0
- 3 18 1 0
- 5 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 12 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-05-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.5244 0.0558 0.0019 C 0 0 0
- 0.4567 -0.9309 0.0007 C 0 0 0
- -0.1585 1.3923 0.0015 C 0 0 0
- -1.8395 -0.2907 -0.0023 O 0 0 0
- 1.7953 -0.5727 -0.0008 C 0 0 0
- 0.1027 -2.2440 0.0007 O 0 0 0
- 1.1787 1.7429 -0.0001 C 0 0 0
- -2.5875 0.9269 0.0002 C 0 0 0
- 2.1535 0.7625 -0.0012 C 0 0 0
- -0.8877 2.1295 0.0000 H 0 0 0
- 2.5283 -1.3061 0.0000 H 0 0 0
- -0.1672 -3.2452 0.0000 H 0 0 0
- 1.4512 2.7434 0.0000 H 0 0 0
- -1.7040 1.4697 0.0000 H 0 0 0
- -3.1303 1.8104 0.0000 H 0 0 0
- -3.4710 0.3841 0.0000 H 0 0 0
- 3.1555 1.0293 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77500-04-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.5689 -0.3292 0.0016 C 0 0 0
- -0.8784 -0.1302 0.0010 C 0 0 0
- 1.4011 0.7932 0.0009 C 0 0 0
- 1.3637 -1.4235 -0.0025 N 0 0 0
- -1.3835 1.1944 -0.0004 C 0 0 0
- -1.7222 -1.1605 0.0012 N 0 0 0
- 2.6978 0.3091 0.0017 N 0 0 0
- 0.8544 2.0790 -0.0005 C 0 0 0
- 2.6216 -1.0524 0.0006 C 0 0 0
- -0.4875 2.2803 -0.0015 C 0 0 0
- -2.7055 1.3922 -0.0010 N 0 0 0
- -3.0198 -0.9411 0.0002 C 0 0 0
- 3.9243 1.1104 0.0006 C 0 0 0
- 3.7031 -1.9090 -0.0017 N 0 0 0
- -3.5196 0.3596 -0.0003 C 0 0 0
- -3.9741 -2.1074 0.0004 C 0 0 0
- 1.4889 2.8985 0.0000 H 0 0 0
- -0.8584 3.2481 0.0000 H 0 0 0
- 4.4912 0.2427 0.0000 H 0 0 0
- 4.7920 1.6773 0.0000 H 0 0 0
- 3.3574 1.9781 0.0000 H 0 0 0
- 3.5520 -2.9343 0.0000 H 0 0 0
- 4.6666 -1.5272 0.0000 H 0 0 0
- -4.5443 0.5149 0.0000 H 0 0 0
- -4.7762 -1.4511 0.0000 H 0 0 0
- -4.6304 -2.9095 0.0000 H 0 0 0
- -3.1720 -2.7637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 7 9 1 0
- 8 10 2 0
- 12 15 2 0
- 8 17 1 0
- 10 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-549-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- -3.0412 -1.7810 0.3758 C 0 0 0
- -2.5018 -0.6076 0.9357 C 0 0 0
- -2.1661 -2.8371 0.0184 C 0 0 0
- -4.4214 -1.9197 0.1614 C 0 0 0
- -3.3924 0.5418 1.3318 C 0 0 2
- -1.1487 -0.5398 1.1104 C 0 0 0
- -2.7015 -4.0112 -0.5413 C 0 0 0
- -0.8508 -2.7059 0.2157 N 0 0 0
- -4.9063 -3.0741 -0.3847 C 0 0 0
- -2.7716 1.8561 0.8542 C 0 0 1
- -3.5305 0.5692 2.7538 O 0 0 0
- -0.3451 -1.6146 0.7373 C 0 0 0
- -4.0435 -4.1185 -0.7318 C 0 0 0
- -6.2425 -3.2093 -0.5926 O 0 0 0
- -2.3189 1.6980 -0.5218 N 0 0 0
- -3.8095 2.9717 0.9713 C 0 0 0
- -6.4424 -4.5029 -1.1660 C 0 0 0
- -1.7058 2.9358 -0.9834 C 0 0 0
- -3.4482 1.3545 -1.3748 C 0 0 0
- -4.0458 3.5759 -0.4202 C 0 0 1
- -2.7003 4.0959 -0.9458 C 0 0 1
- -4.5142 2.4497 -1.3526 C 0 0 0
- -2.1831 5.1712 -0.0253 C 0 0 0
- -1.9539 6.3751 -0.4881 C 0 0 0
- 11.9532 -0.3265 -0.1049 Br 0 0 0
- -5.0198 -1.1104 0.0000 H 0 0 0
- -3.9217 -0.3143 0.0000 H 0 0 0
- -0.7206 0.3711 0.0000 H 0 0 0
- -2.1238 -4.8354 0.0000 H 0 0 0
- -2.2211 2.6987 0.0000 H 0 0 0
- -4.5178 0.7651 0.0000 H 0 0 0
- 0.6560 -1.5101 0.0000 H 0 0 0
- -4.4357 -5.0454 0.0000 H 0 0 0
- -4.8157 2.9971 0.0000 H 0 0 0
- -4.2230 2.0541 0.0000 H 0 0 0
- -7.4371 -4.3492 0.0000 H 0 0 0
- -6.5961 -5.4976 0.0000 H 0 0 0
- -5.4477 -4.6566 0.0000 H 0 0 0
- -0.8717 2.3725 0.0000 H 0 0 0
- -1.0361 3.6871 0.0000 H 0 0 0
- -4.2714 0.7754 0.0000 H 0 0 0
- -3.0067 0.4500 0.0000 H 0 0 0
- -4.7484 4.2966 0.0000 H 0 0 0
- -3.3831 4.8353 0.0000 H 0 0 0
- -5.3831 2.9577 0.0000 H 0 0 0
- -5.1345 1.6570 0.0000 H 0 0 0
- -1.2271 4.8563 0.0000 H 0 0 0
- -1.0035 6.7065 0.0000 H 0 0 0
- -2.7161 7.0325 0.0000 H 0 0 0
- 12.9597 -0.3265 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 18 21 1 0
- 19 22 1 0
- 21 23 1 0
- 23 24 2 0
- 8 12 1 0
- 9 13 1 0
- 20 21 1 0
- 20 22 1 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 13 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-522-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.2702 0.5746 -0.1739 C 0 0 0
- -0.2619 -0.8195 0.0778 C 0 0 0
- 0.9579 1.2613 -0.2731 C 0 0 0
- -1.4930 1.2498 -0.3262 C 0 0 0
- -1.4938 -1.5031 0.1763 C 0 0 0
- 0.8926 -1.4775 0.2192 N 0 0 0
- 2.1262 0.5219 -0.1163 C 0 0 0
- 0.9985 2.5952 -0.5125 O 0 0 0
- -2.6654 0.5559 -0.2303 C 0 0 0
- -2.6636 -0.8173 0.0291 C 0 0 0
- -1.5136 -2.8403 0.4168 O 0 0 0
- 2.0587 -0.8663 0.1323 C 0 0 0
- 3.5574 0.8496 -0.1464 C 0 0 0
- 1.4693 3.2157 0.6856 C 0 0 0
- -3.8477 1.2104 -0.3778 O 0 0 0
- -1.0018 -3.4783 -0.7550 C 0 0 0
- 3.3305 -1.3078 0.2366 O 0 0 0
- 4.2067 -0.2997 0.0741 C 0 0 0
- -4.1923 1.7353 0.9059 C 0 0 0
- -1.5082 2.2632 0.0000 H 0 0 0
- -3.5427 -1.3217 0.0000 H 0 0 0
- 3.9667 1.7768 0.0000 H 0 0 0
- 2.2767 2.6031 0.0000 H 0 0 0
- 2.0819 4.0231 0.0000 H 0 0 0
- 0.6619 3.8283 0.0000 H 0 0 0
- -1.7924 -4.1125 0.0000 H 0 0 0
- -0.3676 -4.2689 0.0000 H 0 0 0
- -0.2112 -2.8441 0.0000 H 0 0 0
- 5.2151 -0.4015 0.0000 H 0 0 0
- -3.3450 2.2915 0.0000 H 0 0 0
- -4.7485 2.5826 0.0000 H 0 0 0
- -5.0396 1.1791 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 2 0
- 15 19 1 0
- 7 12 2 0
- 9 10 1 0
- 17 18 1 0
- 4 20 1 0
- 10 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 14 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 18 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-36239-01-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.8210 -0.4914 0.3074 N 0 0 0
- -0.1838 0.2037 1.1157 C 0 0 0
- 1.9763 0.1842 -0.1070 N 0 3 0
- 0.6206 -1.8946 -0.0627 C 0 0 0
- -1.1581 0.8319 0.2415 O 0 0 0
- 2.1453 1.3494 0.2049 O 0 0 0
- 2.8117 -0.3937 -0.7791 O 0 5 0
- -2.2551 0.1567 -0.1359 C 0 0 0
- -3.2663 0.8087 -1.0432 C 0 0 0
- -2.4317 -0.9740 0.2518 O 0 0 0
- 0.6276 0.5985 0.0000 H 0 0 0
- -0.1298 1.1045 0.0000 H 0 0 0
- -0.2727 -1.7670 0.0000 H 0 0 0
- 0.4930 -2.7879 0.0000 H 0 0 0
- 1.5139 -2.0222 0.0000 H 0 0 0
- -2.7773 1.5671 0.0000 H 0 0 0
- -4.0247 1.2977 0.0000 H 0 0 0
- -3.7553 0.0503 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-594-72-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.1533 -0.0862 0.3677 C 0 0 0
- -1.1890 0.3196 -0.0565 N 0 3 0
- 0.1716 -0.2804 1.8852 C 0 0 0
- 0.5969 -1.6349 -0.4418 Cl 0 0 0
- 1.3399 1.1921 -0.0890 Cl 0 0 0
- -1.3523 1.3847 -0.6242 O 0 0 0
- -2.1417 -0.4083 0.1586 O 0 5 0
- -0.7996 -0.3719 0.0000 H 0 0 0
- 0.2631 -1.2516 0.0000 H 0 0 0
- 1.1428 -0.1889 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-137-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- -2.1505 -0.1731 -0.0015 C 0 0 0
- -3.3774 0.3848 -0.0003 N 0 0 0
- -0.9375 0.4243 1.0486 S 0 0 0
- -1.8071 -1.4836 -1.0482 S 0 0 0
- -3.6730 1.5023 0.8997 C 0 0 0
- -4.4154 -0.1264 -0.8989 C 0 0 0
- 0.9377 -0.4284 1.0467 S 0 0 0
- 2.1511 0.1744 0.0001 C 0 0 0
- 3.3780 -0.3835 -0.0011 N 0 0 0
- 1.8060 1.4857 -1.0450 S 0 0 0
- 3.6733 -1.5056 0.8932 C 0 0 0
- 4.4163 0.1323 -0.8967 C 0 0 0
- -2.6958 1.7608 0.0000 H 0 0 0
- -3.9315 2.4795 0.0000 H 0 0 0
- -4.6502 1.2438 0.0000 H 0 0 0
- -4.8620 0.7804 0.0000 H 0 0 0
- -5.3222 -0.5730 0.0000 H 0 0 0
- -3.9688 -1.0332 0.0000 H 0 0 0
- 2.6957 -1.7629 0.0000 H 0 0 0
- 3.9306 -2.4832 0.0000 H 0 0 0
- 4.6509 -1.2483 0.0000 H 0 0 0
- 4.8660 -0.7730 0.0000 H 0 0 0
- 5.3216 0.5820 0.0000 H 0 0 0
- 3.9666 1.0376 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 9 11 1 0
- 9 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-939-99-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.0659 -0.0001 0.1284 C 0 0 0
- -0.3868 -1.1971 0.2557 C 0 0 0
- -0.3864 1.1972 0.2560 C 0 0 0
- -2.5459 0.0000 -0.1556 C 0 0 0
- 0.9721 -1.1972 0.5106 C 0 0 0
- 0.9720 1.1972 0.5108 C 0 0 0
- -3.0044 1.3190 -0.2402 F 0 0 0
- -2.7883 -0.6566 -1.3669 F 0 0 0
- -3.2189 -0.6623 0.8767 F 0 0 0
- 1.6514 -0.0002 0.6381 C 0 0 0
- 3.1326 -0.0003 0.9154 C 0 0 0
- 4.0362 0.0001 -0.6449 Cl 0 0 0
- -0.9063 -2.0890 0.0000 H 0 0 0
- -0.9058 2.0892 0.0000 H 0 0 0
- 1.4915 -2.0892 0.0000 H 0 0 0
- 1.4914 2.0892 0.0000 H 0 0 0
- 2.6166 -0.8943 0.0000 H 0 0 0
- 3.6489 -0.8941 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 10 11 1 0
- 11 12 1 0
- 6 10 1 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1732-23-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.3254 0.0148 -0.0018 C 0 0 0
- -0.9795 0.0151 -0.0014 C 0 0 0
- 1.0684 1.2890 -0.0005 C 0 0 0
- 1.0749 -1.2544 0.0026 C 0 0 0
- -1.7220 1.2897 0.0003 C 0 0 0
- -1.7297 -1.2537 -0.0022 C 0 0 0
- 2.5403 1.2212 -0.0004 C 0 0 0
- 0.4127 2.4251 0.0009 C 0 0 0
- 2.3869 -1.2197 0.0026 C 0 0 0
- 0.3321 -2.5258 0.0063 C 0 0 0
- -1.0657 2.4254 0.0014 C 0 0 0
- -3.1938 1.2226 0.0014 C 0 0 0
- -0.9875 -2.5255 -0.0046 C 0 0 0
- -3.0416 -1.2184 -0.0012 C 0 0 0
- 3.1318 0.0458 -0.0015 C 0 0 0
- -3.7860 0.0474 0.0006 C 0 0 0
- 4.4861 0.0012 -0.0018 N 0 0 0
- 3.1395 2.1453 0.0000 H 0 0 0
- 0.9635 3.3788 0.0000 H 0 0 0
- 2.9461 -2.1685 0.0000 H 0 0 0
- 0.8802 -3.4811 0.0000 H 0 0 0
- -1.6161 3.3794 0.0000 H 0 0 0
- -3.7926 2.1470 0.0000 H 0 0 0
- -1.5361 -3.4805 0.0000 H 0 0 0
- -3.6013 -2.1669 0.0000 H 0 0 0
- -4.8868 0.0117 0.0000 H 0 0 0
- 5.0051 -0.9702 0.0000 H 0 0 0
- 5.0679 0.9364 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 12 16 2 0
- 15 17 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1135-14-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.8913 0.8357 0.0078 C 0 0 0
- -0.6238 1.7349 0.0378 S 0 0 0
- 1.4407 0.4409 -1.2052 C 0 0 0
- 1.5394 0.5266 1.1973 C 0 0 0
- -1.7727 0.3991 0.0239 C 0 0 0
- 2.6283 -0.2633 -1.2285 C 0 0 0
- 2.7265 -0.1774 1.1736 C 0 0 0
- -3.1290 0.6487 -0.1470 C 0 0 0
- -1.3240 -0.9074 0.1782 C 0 0 0
- 3.2731 -0.5768 -0.0393 C 0 0 0
- -4.0265 -0.4008 -0.1573 C 0 0 0
- -2.2271 -1.9516 0.1668 C 0 0 0
- 4.4767 -1.2910 -0.0631 N 0 0 0
- -3.5771 -1.6988 0.0022 C 0 0 0
- 0.8742 -0.4254 0.0000 H 0 0 0
- 2.0267 1.4398 0.0000 H 0 0 0
- 2.1376 -1.1747 0.0000 H 0 0 0
- 3.2965 0.6866 0.0000 H 0 0 0
- -3.4748 1.6243 0.0000 H 0 0 0
- -0.3077 -1.1040 0.0000 H 0 0 0
- -5.0436 -0.2083 0.0000 H 0 0 0
- -1.8855 -2.9287 0.0000 H 0 0 0
- 4.4643 -2.3260 0.0000 H 0 0 0
- 5.3793 -0.7842 0.0000 H 0 0 0
- -4.2528 -2.4829 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 7 10 1 0
- 12 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-501-52-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.9689 -0.0029 0.3467 C 0 0 0
- -0.4851 -0.0064 0.7426 C 0 0 0
- 1.6357 1.1956 0.1756 C 0 0 0
- 1.6375 -1.1986 0.1602 C 0 0 0
- -1.3562 0.0045 -0.5151 C 0 0 0
- 2.9696 1.1988 -0.1877 C 0 0 0
- 2.9710 -1.1954 -0.2029 C 0 0 0
- -2.8102 0.0010 -0.1192 C 0 0 0
- 3.6365 0.0035 -0.3797 C 0 0 0
- -3.7632 0.0092 -1.0645 O 0 0 0
- -3.1182 -0.0092 1.0491 O 0 0 0
- -1.0051 -0.8915 0.0000 H 0 0 0
- 0.0259 -0.8967 0.0000 H 0 0 0
- 1.1143 2.0799 0.0000 H 0 0 0
- 1.1192 -2.0847 0.0000 H 0 0 0
- -0.8362 0.8896 0.0000 H 0 0 0
- -1.8672 0.8948 0.0000 H 0 0 0
- 3.4883 2.0847 0.0000 H 0 0 0
- 3.4928 -2.0795 0.0000 H 0 0 0
- 4.6631 0.0046 0.0000 H 0 0 0
- -4.7897 0.0180 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 7 9 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64625-66-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -1.1723 -0.1314 0.2890 C 0 0 0
- -1.7645 -1.4873 0.5392 C 0 0 1
- 0.2318 -0.0011 0.1753 C 0 0 0
- -1.9544 0.9714 0.1753 C 0 0 0
- -3.2205 -1.6608 0.1517 C 0 0 2
- -2.1549 -2.1565 -0.6615 O 0 0 0
- 0.8050 1.3264 -0.0617 C 0 0 0
- 1.0635 -1.1144 0.2874 C 0 0 0
- -3.4525 0.8338 0.2885 C 0 0 1
- -1.4043 2.2374 -0.0485 C 0 0 0
- -3.9005 -0.4350 -0.4350 C 0 0 1
- 2.1849 1.4856 -0.1773 C 0 0 0
- -0.0677 2.4306 -0.1678 C 0 0 0
- 2.4433 -0.9558 0.1734 C 0 0 0
- -3.8209 0.7555 1.6669 O 0 0 0
- -3.5820 -0.3328 -1.8243 O 0 0 0
- 3.0165 0.3731 -0.0645 C 0 0 0
- 2.7734 2.8512 -0.4219 C 0 0 0
- 3.3152 -2.0607 0.2826 C 0 0 0
- 4.4183 0.4972 -0.1750 C 0 0 0
- 4.6543 -1.8711 0.1670 C 0 0 0
- 5.1996 -0.6068 -0.0594 C 0 0 0
- -0.8357 -1.9590 0.0000 H 0 0 0
- -3.9305 -2.4231 0.0000 H 0 0 0
- 0.6508 -2.0709 0.0000 H 0 0 0
- -3.6087 1.8638 0.0000 H 0 0 0
- -2.0366 3.0653 0.0000 H 0 0 0
- -4.9386 -0.5219 0.0000 H 0 0 0
- 0.3179 3.3983 0.0000 H 0 0 0
- -4.8399 0.5389 0.0000 H 0 0 0
- -2.5901 -0.0145 0.0000 H 0 0 0
- 3.7301 2.4389 0.0000 H 0 0 0
- 3.1857 3.8079 0.0000 H 0 0 0
- 1.8167 3.2635 0.0000 H 0 0 0
- 2.9278 -3.0277 0.0000 H 0 0 0
- 4.8557 1.4427 0.0000 H 0 0 0
- 5.2865 -2.6991 0.0000 H 0 0 0
- 6.2357 -0.4983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 1 0
- 17 20 1 0
- 19 21 2 0
- 20 22 2 0
- 5 6 1 0
- 9 11 1 0
- 10 13 2 0
- 14 17 1 0
- 21 22 1 0
- 2 23 1 0
- 5 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92569-05-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.2839 -0.9914 -0.0105 N 0 0 0
- 1.5329 -0.3853 0.0575 C 0 0 0
- -0.8885 -0.3787 0.1998 C 0 0 0
- 0.0394 -2.4056 -0.3309 C 0 0 0
- 3.1012 -1.0865 -0.1963 S 0 0 0
- 1.8307 0.8711 0.3256 N 0 0 0
- -1.9519 -1.1837 0.0749 N 0 0 0
- -0.9793 0.8006 0.4790 O 0 0 0
- -1.4947 -2.5383 -0.2693 C 0 0 0
- 4.0653 0.3905 0.0895 C 0 0 0
- 3.0823 1.2864 0.3497 C 0 0 0
- -3.2369 -0.8106 0.2362 C 0 0 0
- 5.5327 0.5833 0.0490 N 0 3 0
- -3.5828 0.6461 0.4074 C 0 0 0
- -4.1146 -1.6469 0.2435 O 0 0 0
- 6.0092 1.6811 0.2754 O 0 0 0
- 6.2634 -0.3559 -0.2107 O 0 5 0
- -2.7639 1.6130 -0.8753 Cl 0 0 0
- -5.3681 0.8597 0.2733 Cl 0 0 0
- 0.0399 -3.4075 0.0000 H 0 0 0
- 1.0377 -2.4910 0.0000 H 0 0 0
- -2.4665 -2.7821 0.0000 H 0 0 0
- -1.3291 -3.5264 0.0000 H 0 0 0
- 3.2905 2.2665 0.0000 H 0 0 0
- -2.6084 0.4130 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 14 19 1 0
- 7 9 1 0
- 10 11 2 0
- 4 20 1 0
- 4 21 1 0
- 9 22 1 0
- 9 23 1 0
- 11 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115-53-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- 0.7879 0.1612 -1.1178 C 0 0 1
- -0.3309 0.5111 -0.1696 C 0 0 0
- 2.0792 -0.0663 -0.3315 C 0 0 1
- 0.4402 -1.0984 -1.9052 C 0 0 0
- 1.0115 1.3598 -2.0484 C 0 0 0
- -0.0855 1.0839 1.0591 C 0 0 0
- -1.6359 0.2432 -0.5648 C 0 0 0
- 2.3565 1.1910 0.4846 C 0 0 2
- 1.9674 -1.2796 0.5372 C 0 0 0
- 0.2224 -2.2093 -0.8951 C 0 0 0
- 1.2924 2.5750 -1.1534 C 0 0 0
- 1.3037 1.3717 1.5606 C 0 0 0
- -1.1523 1.4085 1.8883 C 0 0 0
- -2.7000 0.5611 0.2711 C 0 0 0
- -1.8728 -0.3327 -1.7738 O 0 0 0
- 2.5079 2.3598 -0.3693 N 0 0 0
- 1.1159 -2.2708 0.2712 C 0 0 0
- -0.6639 -3.0239 -1.0454 O 0 0 0
- -2.4508 1.1500 1.5000 C 0 0 0
- -3.9769 0.2973 -0.1154 O 0 0 0
- 2.6458 3.5190 0.5223 C 0 0 0
- 1.0734 -3.3554 1.0909 O 0 0 0
- -4.8283 0.7340 0.9459 C 0 0 0
- 2.0400 -3.1336 2.1197 C 0 0 0
- 2.9526 -0.2023 0.0000 H 0 0 0
- -0.1958 -0.4845 0.0000 H 0 0 0
- -0.4030 -1.3636 0.0000 H 0 0 0
- 0.3567 1.9535 0.0000 H 0 0 0
- 0.1738 1.0776 0.0000 H 0 0 0
- 3.2272 1.0389 0.0000 H 0 0 0
- 2.7813 -1.6245 0.0000 H 0 0 0
- 1.4615 3.4426 0.0000 H 0 0 0
- 0.4279 2.7591 0.0000 H 0 0 0
- 1.7798 2.1164 0.0000 H 0 0 0
- 0.8023 2.0997 0.0000 H 0 0 0
- -1.1086 2.2913 0.0000 H 0 0 0
- -2.2091 -1.1502 0.0000 H 0 0 0
- -3.0090 1.8354 0.0000 H 0 0 0
- 3.5235 3.4146 0.0000 H 0 0 0
- 2.7502 4.3967 0.0000 H 0 0 0
- 1.7681 3.6234 0.0000 H 0 0 0
- -4.4249 1.5205 0.0000 H 0 0 0
- -5.6148 1.1374 0.0000 H 0 0 0
- -5.2317 -0.0525 0.0000 H 0 0 0
- 2.2377 -3.9951 0.0000 H 0 0 0
- 2.9015 -2.9359 0.0000 H 0 0 0
- 1.8423 -2.2721 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 2 0
- 10 18 2 0
- 13 19 1 0
- 14 20 1 0
- 16 21 1 0
- 17 22 1 0
- 20 23 1 0
- 22 24 1 0
- 8 12 1 0
- 10 17 1 0
- 11 16 1 0
- 14 19 2 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 13 36 1 0
- 15 37 1 0
- 19 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
- 23 42 1 0
- 23 43 1 0
- 23 44 1 0
- 24 45 1 0
- 24 46 1 0
- 24 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-131-91-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.5381 0.2979 0.1078 C 0 0 0
- -1.1708 -0.9529 -0.0736 C 0 0 0
- 0.9313 0.3454 0.1915 C 0 0 0
- -1.3078 1.4551 0.2095 C 0 0 0
- -0.3894 -2.1232 -0.1700 C 0 0 0
- -2.5708 -1.0088 -0.1546 C 0 0 0
- 1.6500 -0.8728 0.0857 C 0 0 0
- 1.5650 1.4954 0.3606 N 0 0 0
- -2.6808 1.3673 0.1319 C 0 0 0
- 0.9677 -2.0727 -0.0915 C 0 0 0
- -3.3022 0.1389 -0.0578 C 0 0 0
- 2.9996 -0.8683 0.1575 O 0 0 0
- 1.9435 2.1303 -0.6075 O 0 0 0
- -0.8488 2.3815 0.0000 H 0 0 0
- -0.8599 -3.0438 0.0000 H 0 0 0
- -3.0498 -1.9250 0.0000 H 0 0 0
- -3.2501 2.2303 0.0000 H 0 0 0
- 1.5041 -2.9565 0.0000 H 0 0 0
- -4.3348 0.0877 0.0000 H 0 0 0
- 4.0335 -0.8649 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 7 10 2 0
- 9 11 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64099-28-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.1033 0.2823 -0.0030 C 0 0 0
- -0.3555 -1.1083 -0.0015 C 0 0 0
- 1.3160 0.5982 -0.0009 C 0 0 0
- -1.2285 1.1371 -0.0008 C 0 0 0
- 1.2750 -1.8037 0.0024 S 0 0 0
- -1.6353 -1.6216 -0.0027 C 0 0 0
- 2.1923 -0.3628 0.0020 N 0 0 0
- 1.7257 1.8938 -0.0025 O 0 0 0
- -2.4987 0.6083 0.0026 C 0 0 0
- -2.7080 -0.7712 -0.0055 C 0 0 0
- 3.1546 1.8752 0.0003 C 0 0 0
- -3.6016 1.4704 0.0052 N 0 0 0
- -1.0949 2.1785 0.0000 H 0 0 0
- -1.7864 -2.6606 0.0000 H 0 0 0
- -3.6850 -1.1557 0.0000 H 0 0 0
- 3.1409 0.8254 0.0000 H 0 0 0
- 4.2044 1.8615 0.0000 H 0 0 0
- 3.1683 2.9250 0.0000 H 0 0 0
- -3.4552 2.5100 0.0000 H 0 0 0
- -4.5751 1.0773 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 9 12 1 0
- 5 7 1 0
- 9 10 1 0
- 4 13 1 0
- 6 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3811-71-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 74 1 V2000
- -1.9446 -2.0720 -0.0223 N 0 0 0
- -2.4079 -3.2649 -0.1847 N 0 0 0
- -0.5976 -1.8699 0.0733 C 0 0 0
- -3.7510 -3.4664 -0.2801 C 0 0 0
- -0.0944 -0.5765 0.2494 C 0 0 0
- 0.2804 -2.9566 0.0011 C 0 0 0
- -4.6265 -2.3844 -0.2025 C 0 0 0
- -4.2583 -4.7695 -0.4635 C 0 0 0
- 1.2640 -0.3772 0.3459 C 0 0 0
- 1.6278 -2.7560 0.0972 C 0 0 0
- -6.0008 -2.5964 -0.3007 C 0 0 0
- -3.3876 -5.8465 -0.5466 N 0 0 0
- -5.6252 -4.9756 -0.5611 C 0 0 0
- 2.1346 -1.4661 0.2677 C 0 0 0
- -6.8604 -1.5428 -0.2259 N 0 0 0
- -6.4996 -3.9031 -0.4781 C 0 0 0
- 3.5965 -1.2533 0.3708 C 0 0 0
- -6.4031 -0.3475 -0.0640 N 0 0 0
- -7.8671 -4.1151 -0.5759 N 0 0 0
- 4.3838 -2.1557 1.0888 C 0 0 0
- 4.1871 -0.1535 -0.2549 C 0 0 0
- -7.2661 0.7104 0.0111 C 0 0 0
- 5.7423 -1.9567 1.1838 C 0 0 0
- 5.5349 0.0465 -0.1624 C 0 0 0
- -6.7744 2.0064 0.1864 C 0 0 0
- -8.6440 0.5013 -0.0929 C 0 0 0
- 6.3292 -0.8504 0.5601 C 0 0 0
- -7.6510 3.0688 0.2608 C 0 0 0
- -9.5083 1.5730 -0.0167 C 0 0 0
- 7.6764 -0.6490 0.6522 N 0 0 0
- -9.0142 2.8535 0.1623 C 0 0 0
- 8.2168 0.3713 0.0769 N 0 0 0
- -10.1263 4.2167 0.2590 S 0 0 0
- 9.5640 0.5727 0.1690 C 0 0 0
- -11.3231 3.6993 0.8240 O 0 0 0
- -9.3681 5.2969 0.7858 O 0 0 0
- -10.4810 4.6166 -1.1660 O 0 0 0
- 10.1485 1.6755 -0.4527 C 0 0 0
- 10.3591 -0.3255 0.8931 C 0 0 0
- 11.5244 1.8754 -0.3550 C 0 0 0
- 11.7176 -0.1270 0.9888 C 0 0 0
- 12.1514 3.0384 -1.0094 C 0 0 0
- 12.3112 0.9653 0.3684 C 0 0 0
- 13.3284 3.2776 -0.8256 O 0 0 0
- 11.4191 3.8360 -1.8114 O 0 0 0
- 13.6496 1.1553 0.4664 O 0 0 0
- -0.7318 0.2236 0.0000 H 0 0 0
- -0.0911 -3.9097 0.0000 H 0 0 0
- -4.2578 -1.4302 0.0000 H 0 0 0
- 1.6390 0.5745 0.0000 H 0 0 0
- 2.2647 -3.5565 0.0000 H 0 0 0
- -3.7550 -6.8012 0.0000 H 0 0 0
- -2.3771 -5.6873 0.0000 H 0 0 0
- -5.9937 -5.9298 0.0000 H 0 0 0
- -8.5082 -3.3180 0.0000 H 0 0 0
- -8.2368 -5.0689 0.0000 H 0 0 0
- 4.0292 -3.1152 0.0000 H 0 0 0
- 3.5989 0.6834 0.0000 H 0 0 0
- 6.3319 -2.7926 0.0000 H 0 0 0
- 5.8850 1.0076 0.0000 H 0 0 0
- -5.7651 2.1730 0.0000 H 0 0 0
- -9.0146 -0.4521 0.0000 H 0 0 0
- -7.2886 4.0254 0.0000 H 0 0 0
- -10.5189 1.4149 0.0000 H 0 0 0
- -11.1598 5.3819 0.0000 H 0 0 0
- 9.5593 2.5117 0.0000 H 0 0 0
- 10.0078 -1.2862 0.0000 H 0 0 0
- 12.3028 -0.9660 0.0000 H 0 0 0
- 10.7273 4.5895 0.0000 H 0 0 0
- 14.6624 1.2991 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 1 0
- 13 8 2 0
- 14 9 2 0
- 15 11 1 0
- 16 11 2 0
- 17 14 1 0
- 18 15 2 0
- 19 16 1 0
- 20 17 2 0
- 21 17 1 0
- 22 18 1 0
- 23 20 1 0
- 24 21 2 0
- 25 22 2 0
- 26 22 1 0
- 27 23 2 0
- 28 25 1 0
- 29 26 2 0
- 30 27 1 0
- 31 28 2 0
- 32 30 2 0
- 33 31 1 0
- 34 32 1 0
- 35 33 2 0
- 36 33 2 0
- 37 33 1 0
- 38 34 2 0
- 39 34 1 0
- 40 38 1 0
- 41 39 2 0
- 42 40 1 0
- 43 40 2 0
- 44 42 2 0
- 45 42 1 0
- 46 43 1 0
- 10 14 1 0
- 13 16 1 0
- 24 27 1 0
- 29 31 1 0
- 41 43 1 0
- 5 47 1 0
- 6 48 1 0
- 7 49 1 0
- 9 50 1 0
- 10 51 1 0
- 12 52 1 0
- 12 53 1 0
- 13 54 1 0
- 19 55 1 0
- 19 56 1 0
- 20 57 1 0
- 21 58 1 0
- 23 59 1 0
- 24 60 1 0
- 25 61 1 0
- 26 62 1 0
- 28 63 1 0
- 29 64 1 0
- 37 65 1 0
- 38 66 1 0
- 39 67 1 0
- 41 68 1 0
- 45 69 1 0
- 46 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-128714-75-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.0681 -0.2051 -0.0047 C 0 0 0
- -1.2554 -0.6815 -0.0126 C 0 0 0
- 0.3083 1.1897 0.0274 C 0 0 0
- 1.1436 -1.1228 -0.0346 C 0 0 0
- -2.3344 0.2293 0.0118 C 0 0 0
- -1.5028 -2.0748 -0.0446 C 0 0 0
- 1.7005 1.6797 0.0354 C 0 0 0
- -0.7641 2.0751 0.0511 C 0 0 0
- 2.5194 -0.6265 -0.0267 C 0 0 0
- 0.8795 -2.4966 -0.0719 C 0 0 0
- -3.6572 -0.2598 0.0031 C 0 0 0
- -2.0704 1.6088 0.0438 C 0 0 0
- -0.4293 -2.9680 -0.0676 C 0 0 0
- -2.8889 -2.5420 -0.0521 C 0 0 0
- 2.7725 0.7526 0.0112 C 0 0 0
- 1.9689 3.0406 0.0670 C 0 0 0
- 3.6494 -1.5836 -0.0574 N 0 3 0
- -3.9133 -1.6209 -0.0295 C 0 0 0
- -4.7885 0.6953 0.0287 N 0 3 0
- 4.0986 1.2310 0.0197 C 0 0 0
- 3.2845 3.4896 0.0748 C 0 0 0
- 4.1096 -1.9484 -1.1245 O 0 0 0
- 4.1946 -2.0745 1.1537 O 0 5 0
- -5.7156 0.5206 0.7990 O 0 0 0
- -4.7924 1.8116 -0.8424 O 0 5 0
- 4.3368 2.5903 0.0513 C 0 0 0
- -0.5826 3.1097 0.0000 H 0 0 0
- 1.6778 -3.1793 0.0000 H 0 0 0
- -2.8680 2.2923 0.0000 H 0 0 0
- -0.6113 -4.0025 0.0000 H 0 0 0
- -3.1013 -3.5707 0.0000 H 0 0 0
- 1.1780 3.7319 0.0000 H 0 0 0
- -4.9083 -1.9575 0.0000 H 0 0 0
- 4.9027 0.5551 0.0000 H 0 0 0
- 3.4820 4.5213 0.0000 H 0 0 0
- 5.3253 2.9456 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 11 18 2 0
- 11 19 1 0
- 15 20 1 0
- 16 21 2 0
- 17 22 2 0
- 17 23 1 0
- 19 24 2 0
- 19 25 1 0
- 20 26 2 0
- 8 12 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 21 26 1 0
- 8 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 26 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6027-98-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- -5.6482 -1.3090 -0.3385 C 0 0 0
- -6.5463 -0.2466 -0.3772 C 0 0 0
- -4.6272 -0.9633 0.5175 C 0 0 0
- -5.6456 -2.6424 -1.0411 C 0 0 0
- -6.0298 0.7610 0.4855 C 0 0 0
- -7.7528 -0.0516 -1.0696 C 0 0 0
- -4.8584 0.2943 1.0158 N 0 0 0
- -3.5242 -1.9016 0.7674 C 0 0 0
- -4.1939 -3.0764 -1.2516 C 0 0 0
- -6.7069 1.9643 0.6632 C 0 0 0
- -8.3986 1.1407 -0.8770 C 0 0 0
- -3.3685 -2.8834 -0.0696 N 0 0 0
- -2.6069 -1.7312 1.9508 C 0 0 0
- -7.8964 2.1276 -0.0348 C 0 0 0
- -8.5905 3.2867 0.1087 O 0 0 0
- -9.7538 3.1761 -0.7139 C 0 0 0
- 6.7748 -0.7416 0.6151 O 0 0 0
- 15.3883 0.0267 0.1474 O 0 0 0
- 24.0017 0.7950 -0.3203 Cl 0 0 0
- -6.5725 -2.5536 0.0000 H 0 0 0
- -5.8242 -3.5563 0.0000 H 0 0 0
- -8.2918 -0.8109 0.0000 H 0 0 0
- -4.1383 0.8847 0.0000 H 0 0 0
- -4.7505 -3.8229 0.0000 H 0 0 0
- -3.6837 -3.8553 0.0000 H 0 0 0
- -6.1832 2.7342 0.0000 H 0 0 0
- -9.3297 1.1287 0.0000 H 0 0 0
- -2.4368 -2.6467 0.0000 H 0 0 0
- -1.6914 -1.5611 0.0000 H 0 0 0
- -2.7770 -0.8157 0.0000 H 0 0 0
- -9.8419 4.1031 0.0000 H 0 0 0
- -10.6808 3.0880 0.0000 H 0 0 0
- -9.6657 2.2491 0.0000 H 0 0 0
- 5.8436 -0.7416 0.0000 H 0 0 0
- 7.7060 -0.7416 0.0000 H 0 0 0
- 14.4571 0.0267 0.0000 H 0 0 0
- 16.3195 0.0267 0.0000 H 0 0 0
- 24.9329 0.7950 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 14 15 1 0
- 15 16 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 4 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 9 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 13 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-85-91-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.0435 -0.4203 -0.0195 C 0 0 0
- -1.0748 0.4282 0.0081 C 0 0 0
- 1.4033 0.1456 -0.0297 C 0 0 0
- -0.1419 -1.8059 -0.0314 C 0 0 0
- -2.3523 -0.1186 0.0174 C 0 0 0
- -0.9051 1.8060 0.0265 N 0 0 0
- 2.4727 -0.6682 0.0724 O 0 0 0
- 1.5610 1.3464 -0.1301 O 0 0 0
- -1.4160 -2.3287 -0.0161 C 0 0 0
- -2.5181 -1.4879 -0.0004 C 0 0 0
- -2.0748 2.6877 0.0552 C 0 0 0
- 3.8132 -0.1103 0.0624 C 0 0 0
- 0.6828 -2.4423 0.0000 H 0 0 0
- -3.1857 0.5064 0.0000 H 0 0 0
- 0.0539 2.2128 0.0000 H 0 0 0
- -1.5522 -3.3614 0.0000 H 0 0 0
- -3.4778 -1.8929 0.0000 H 0 0 0
- -1.4478 3.5195 0.0000 H 0 0 0
- -2.9066 3.3147 0.0000 H 0 0 0
- -2.7018 1.8559 0.0000 H 0 0 0
- 4.2135 -1.0720 0.0000 H 0 0 0
- 4.7749 0.2900 0.0000 H 0 0 0
- 3.4129 0.8514 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 9 10 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107210-40-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 62 1 V2000
- -0.2016 0.4366 0.4509 C 0 0 0
- -1.5695 0.0672 0.0653 C 0 0 0
- 0.7732 -0.6413 0.6663 C 0 0 0
- 0.1344 1.7704 0.5946 C 0 0 0
- -2.5377 1.1556 -0.1479 C 0 0 0
- -1.9124 -1.1921 -0.0833 N 0 0 0
- 0.2768 -2.0160 0.4716 C 0 0 0
- 2.0491 -0.3879 1.0216 N 0 0 0
- -0.8237 2.7746 0.3738 C 0 0 0
- 1.5143 2.1434 0.9835 N 0 3 0
- -3.8208 0.8841 -0.5067 N 0 0 0
- -2.1033 2.4894 0.0282 C 0 0 0
- -1.0756 -2.2162 0.0968 C 0 0 0
- 1.1223 -3.1043 0.6511 C 0 0 0
- 2.8289 -0.3253 -0.2218 C 0 0 0
- 2.2229 2.7539 0.2034 O 0 0 0
- 2.0094 1.7901 2.2622 O 0 5 0
- -4.6801 1.4363 0.5491 C 0 0 0
- -4.0928 1.6623 -1.7225 C 0 0 0
- -1.5396 -3.5341 -0.0871 C 0 0 0
- 0.6379 -4.3955 0.4628 C 0 0 0
- 4.3157 -0.1952 0.1148 C 0 0 0
- -5.2671 0.2928 1.3790 C 0 0 0
- -3.7012 0.8405 -2.9523 C 0 0 0
- -0.6794 -4.6019 0.0970 C 0 0 0
- 5.1280 -0.1300 -1.1801 C 0 0 0
- -4.2209 -0.3526 2.1077 O 0 0 0
- -4.5652 -0.2923 -3.0630 O 0 0 0
- 6.5555 -0.0050 -0.8570 N 0 0 0
- 7.2746 0.0521 -2.1366 C 0 0 0
- 6.7301 1.3051 -0.2158 C 0 0 0
- 1.9115 0.6026 0.0000 H 0 0 0
- -0.5331 3.7315 0.0000 H 0 0 0
- -2.7758 3.2295 0.0000 H 0 0 0
- 2.1110 -2.9541 0.0000 H 0 0 0
- 2.4020 -1.2296 0.0000 H 0 0 0
- 3.4005 -1.1458 0.0000 H 0 0 0
- -4.1669 2.2946 0.0000 H 0 0 0
- -5.5545 1.9215 0.0000 H 0 0 0
- -3.4967 2.4652 0.0000 H 0 0 0
- -5.0814 1.8129 0.0000 H 0 0 0
- -2.5252 -3.7031 0.0000 H 0 0 0
- 1.2695 -5.1708 0.0000 H 0 0 0
- 4.7427 0.7091 0.0000 H 0 0 0
- 3.7441 0.6253 0.0000 H 0 0 0
- -6.1445 0.7726 0.0000 H 0 0 0
- -5.7697 -0.5718 0.0000 H 0 0 0
- -3.0115 0.1164 0.0000 H 0 0 0
- -2.8775 1.4075 0.0000 H 0 0 0
- -1.0397 -5.5348 0.0000 H 0 0 0
- 4.7011 -1.0343 0.0000 H 0 0 0
- 5.6997 -0.9505 0.0000 H 0 0 0
- -3.3698 -0.8776 0.0000 H 0 0 0
- -5.1717 -1.0874 0.0000 H 0 0 0
- 7.3538 -0.9448 0.0000 H 0 0 0
- 8.2715 0.1313 0.0000 H 0 0 0
- 7.1954 1.0490 0.0000 H 0 0 0
- 7.7214 1.1730 0.0000 H 0 0 0
- 6.8622 2.2964 0.0000 H 0 0 0
- 5.7388 1.4372 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 13 20 1 0
- 14 21 2 0
- 15 22 1 0
- 18 23 1 0
- 19 24 1 0
- 20 25 2 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 26 29 1 0
- 29 30 1 0
- 29 31 1 0
- 7 13 2 0
- 9 12 1 0
- 21 25 1 0
- 8 32 1 0
- 9 33 1 0
- 12 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 26 51 1 0
- 26 52 1 0
- 27 53 1 0
- 28 54 1 0
- 30 55 1 0
- 30 56 1 0
- 30 57 1 0
- 31 58 1 0
- 31 59 1 0
- 31 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.6562 -0.2081 -0.0034 C 0 0 0
- -1.7610 -1.0484 -0.0013 C 0 0 0
- -0.8337 1.1675 -0.0035 C 0 0 0
- 0.5980 -0.7326 0.0003 O 0 0 0
- -3.0355 -0.5126 0.0007 C 0 0 0
- -1.5426 -2.7706 -0.0006 Cl 0 0 0
- -2.1090 1.6988 -0.0015 C 0 0 0
- 1.5068 0.3702 -0.0031 C 0 0 0
- -3.2095 0.8599 0.0006 C 0 0 0
- 2.9443 -0.1537 0.0008 C 0 0 0
- -4.8107 1.5306 0.0026 Cl 0 0 0
- 3.9174 1.0269 -0.0029 C 0 0 0
- 5.3333 0.5109 0.0009 C 0 0 0
- 6.3619 1.3733 -0.0014 O 0 0 0
- 5.5426 -0.6791 0.0061 O 0 0 0
- -0.0070 1.7989 0.0000 H 0 0 0
- -3.8640 -1.1417 0.0000 H 0 0 0
- -2.2421 2.7305 0.0000 H 0 0 0
- 1.9712 1.3011 0.0000 H 0 0 0
- 0.6344 0.9368 0.0000 H 0 0 0
- 2.4799 -1.0845 0.0000 H 0 0 0
- 3.8167 -0.7204 0.0000 H 0 0 0
- 4.3818 1.9577 0.0000 H 0 0 0
- 3.0450 1.5935 0.0000 H 0 0 0
- 7.1590 2.0416 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 7 9 1 0
- 3 16 1 0
- 5 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.9532 -0.3401 0.0603 C 0 0 0
- -2.0329 0.6144 0.0313 C 0 0 0
- 0.4526 0.0913 0.1182 C 0 0 0
- -1.2964 -1.6762 0.0371 C 0 0 0
- -3.2858 0.1214 -0.0216 C 0 0 0
- 1.4388 -0.8270 0.1440 N 0 0 0
- 0.7245 1.2767 0.1427 O 0 0 0
- -3.0266 -1.6407 -0.0220 S 0 0 0
- -4.5661 0.8636 -0.0600 N 0 3 0
- 2.7749 -0.4207 0.0659 C 0 0 0
- -5.6208 0.2562 -0.1070 O 0 0 0
- -4.5648 2.0815 -0.0445 O 0 5 0
- 3.7851 -1.3678 -0.0431 C 0 0 0
- 3.0939 0.9306 0.0915 C 0 0 0
- 5.1032 -0.9634 -0.1200 C 0 0 0
- 4.4144 1.3285 0.0142 C 0 0 0
- 5.4180 0.3830 -0.0885 C 0 0 0
- 6.8576 0.8207 -0.1726 C 0 0 0
- -1.8528 1.6357 0.0000 H 0 0 0
- -0.6693 -2.5021 0.0000 H 0 0 0
- 1.2051 -1.8374 0.0000 H 0 0 0
- 3.5510 -2.3781 0.0000 H 0 0 0
- 2.3386 1.6412 0.0000 H 0 0 0
- 5.8610 -1.6713 0.0000 H 0 0 0
- 4.6523 2.3379 0.0000 H 0 0 0
- 7.1593 -0.1715 0.0000 H 0 0 0
- 7.8498 1.1224 0.0000 H 0 0 0
- 6.5559 1.8129 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.8365 -0.5606 -0.3932 C 0 0 0
- -1.7548 0.4013 0.3157 C 0 0 0
- 0.5832 -0.0647 -0.2948 C 0 0 0
- -0.9412 -1.9404 0.2594 C 0 0 0
- -2.5246 1.2886 -0.4148 C 0 0 0
- -1.8323 0.3932 1.6958 C 0 0 0
- 1.4929 -0.3724 -1.2889 C 0 0 0
- 0.9737 0.7025 0.7871 C 0 0 0
- -0.5792 -3.2134 -0.9652 Cl 0 0 0
- 0.2429 -2.0558 1.6142 Cl 0 0 0
- -3.3675 2.1716 0.2368 C 0 0 0
- -2.4328 1.2949 -2.1484 Cl 0 0 0
- -2.6744 1.2754 2.3462 C 0 0 0
- 2.7952 0.0825 -1.1994 C 0 0 0
- 2.2753 1.1579 0.8777 C 0 0 0
- -3.4398 2.1664 1.6169 C 0 0 0
- 3.1878 0.8458 -0.1146 C 0 0 0
- 4.8231 1.4174 -0.0015 Cl 0 0 0
- -1.6767 -0.8609 0.0000 H 0 0 0
- -1.8290 -2.0301 0.0000 H 0 0 0
- -2.1402 -0.4443 0.0000 H 0 0 0
- 1.4973 -1.2647 0.0000 H 0 0 0
- 0.3865 1.3743 0.0000 H 0 0 0
- -3.0462 3.0040 0.0000 H 0 0 0
- -3.3358 0.6764 0.0000 H 0 0 0
- 3.3808 -0.5907 0.0000 H 0 0 0
- 2.2722 2.0502 0.0000 H 0 0 0
- -4.2635 2.5095 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 11 16 2 0
- 14 17 2 0
- 17 18 1 0
- 13 16 1 0
- 15 17 1 0
- 1 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3787-28-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.6357 0.1795 -0.0021 C 0 0 0
- -0.7014 0.0554 -0.0008 C 0 0 0
- 1.2265 1.4639 -0.0013 C 0 0 0
- 1.6389 -1.2373 0.0025 Cl 0 0 0
- -1.7045 1.4722 0.0019 Cl 0 0 0
- -1.4268 -1.5218 -0.0018 Cl 0 0 0
- 2.4353 1.5761 -0.0024 O 0 0 0
- 0.5440 2.4279 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-524-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.2683 0.9717 0.1442 C 0 0 0
- -0.8684 -0.3057 0.0232 C 0 0 0
- 1.1385 1.0670 0.1949 C 0 0 0
- -1.0768 2.1184 0.2175 C 0 0 0
- -0.1152 -1.4072 -0.0419 N 0 0 0
- -2.2767 -0.3946 -0.0269 C 0 0 0
- 1.8689 -0.1149 0.1222 C 0 0 0
- 1.7566 2.2679 0.3098 O 0 0 0
- -2.4316 1.9933 0.1717 C 0 0 0
- 1.2026 -1.3543 0.0027 C 0 0 0
- -3.0296 0.7417 0.0414 C 0 0 0
- -2.8799 -1.6066 -0.1433 O 0 0 0
- 3.3019 -0.4361 0.1398 C 0 0 0
- 2.1005 2.6837 -1.0134 C 0 0 0
- 2.1562 -2.3087 -0.0441 O 0 0 0
- -4.2884 -1.3664 -0.1669 C 0 0 0
- 3.3857 -1.7677 0.0351 C 0 0 0
- -0.6485 3.0467 0.0000 H 0 0 0
- -3.0161 2.8321 0.0000 H 0 0 0
- -4.0494 0.6705 0.0000 H 0 0 0
- 4.0795 0.2276 0.0000 H 0 0 0
- 2.8883 2.0321 0.0000 H 0 0 0
- 2.7521 3.4715 0.0000 H 0 0 0
- 1.3127 3.3353 0.0000 H 0 0 0
- -4.1165 -0.3586 0.0000 H 0 0 0
- -5.2962 -1.1945 0.0000 H 0 0 0
- -4.4603 -2.3742 0.0000 H 0 0 0
- 4.2590 -2.2992 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 7 10 1 0
- 9 11 1 0
- 15 17 1 0
- 4 18 1 0
- 9 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-65176-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 48 1 V2000
- -0.7589 0.0475 -0.1159 C 0 0 0
- -2.0383 -0.4239 0.1614 C 0 0 0
- -0.5621 1.4373 -0.1515 C 0 0 0
- 0.2117 -0.8399 -0.3615 O 0 0 0
- -3.1024 0.4416 0.3578 C 0 0 0
- -2.5644 -1.8354 0.3233 C 0 0 0
- -1.6323 2.3192 0.0305 C 0 0 0
- 0.8104 1.9399 -0.3625 C 0 0 0
- 1.4690 -0.4314 -0.1521 C 0 0 0
- -4.2553 -0.2410 0.5952 O 0 0 0
- -2.8944 1.8219 0.2881 C 0 0 0
- -3.9488 -1.5841 0.9995 C 0 0 0
- -2.9833 -2.3572 -1.0384 C 0 0 0
- -1.4311 3.6588 -0.0463 O 0 0 0
- 1.8593 0.9167 -0.1721 C 0 0 0
- 1.0557 3.0938 -0.6665 O 0 0 0
- 2.4500 -1.3953 0.0967 C 0 0 0
- -4.7958 -2.4827 0.2579 O 0 0 0
- -4.2542 -2.6861 -0.9636 C 0 0 0
- -2.6976 4.2804 0.1809 C 0 0 0
- 3.1986 1.2867 -0.0085 C 0 0 0
- 3.7722 -1.0227 0.2843 C 0 0 0
- 2.1044 -2.7111 0.1548 O 0 0 0
- 4.1526 0.3128 0.2250 C 0 0 0
- 3.5597 2.5935 -0.0789 O 0 0 0
- 4.7084 -1.9758 0.5297 O 0 0 0
- 2.2242 -3.2286 -1.1718 C 0 0 0
- 5.9582 -1.2988 0.6770 C 0 0 0
- -1.6726 -2.3420 0.0000 H 0 0 0
- -3.6967 2.4608 0.0000 H 0 0 0
- -4.9385 -1.3147 0.0000 H 0 0 0
- -2.4265 -3.2186 0.0000 H 0 0 0
- -4.3085 -3.7103 0.0000 H 0 0 0
- -2.2457 5.2012 0.0000 H 0 0 0
- -3.6184 4.7323 0.0000 H 0 0 0
- -3.1495 3.3596 0.0000 H 0 0 0
- 5.1467 0.5654 0.0000 H 0 0 0
- 3.8329 3.5821 0.0000 H 0 0 0
- 1.2250 -3.4599 0.0000 H 0 0 0
- 2.4555 -4.2278 0.0000 H 0 0 0
- 3.2234 -2.9973 0.0000 H 0 0 0
- 6.4467 -2.2007 0.0000 H 0 0 0
- 6.8601 -0.8103 0.0000 H 0 0 0
- 5.4697 -0.3969 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 12 18 1 0
- 13 19 2 0
- 14 20 1 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 21 24 2 0
- 21 25 1 0
- 22 26 1 0
- 23 27 1 0
- 26 28 1 0
- 7 11 2 0
- 9 15 2 0
- 10 12 1 0
- 18 19 1 0
- 22 24 1 0
- 6 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
- 24 37 1 0
- 25 38 1 0
- 27 39 1 0
- 27 40 1 0
- 27 41 1 0
- 28 42 1 0
- 28 43 1 0
- 28 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.8752 -0.1936 0.0379 C 0 0 0
- -0.4677 -0.8181 -0.3463 C 0 0 0
- 2.0141 -1.0612 -0.5016 C 0 0 0
- 0.9751 1.2102 -0.5625 C 0 0 0
- -1.6066 0.0495 0.1932 C 0 0 0
- 2.8410 -1.6015 0.6668 C 0 0 0
- 1.8065 2.0247 0.2665 O 0 0 0
- -2.9494 -0.5751 -0.1910 C 0 0 0
- -4.0883 0.2925 0.3485 C 0 0 0
- 1.8537 0.2485 0.0000 H 0 0 0
- -1.2473 -1.5565 0.0000 H 0 0 0
- 0.1358 -1.7063 0.0000 H 0 0 0
- 1.0338 -1.4993 0.0000 H 0 0 0
- 1.9291 -2.1316 0.0000 H 0 0 0
- 0.4668 2.1561 0.0000 H 0 0 0
- -0.0749 0.9853 0.0000 H 0 0 0
- -0.8270 0.7880 0.0000 H 0 0 0
- -2.2101 0.9376 0.0000 H 0 0 0
- 2.2536 -2.5004 0.0000 H 0 0 0
- 3.7399 -2.1889 0.0000 H 0 0 0
- 3.4284 -0.7026 0.0000 H 0 0 0
- 2.5735 2.7761 0.0000 H 0 0 0
- -3.7290 -1.3136 0.0000 H 0 0 0
- -2.3459 -1.4632 0.0000 H 0 0 0
- -3.4376 1.1467 0.0000 H 0 0 0
- -4.9425 0.9432 0.0000 H 0 0 0
- -4.7390 -0.5617 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20983-67-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.9089 -1.1947 -0.0245 C 0 0 0
- -0.3283 -1.8433 -0.0415 N 0 0 0
- 1.4994 -0.8531 1.1860 C 0 0 0
- 1.5542 -0.8948 -1.2174 C 0 0 0
- -1.5095 -1.0961 -0.0283 C 0 0 0
- 2.7224 -0.2124 1.1993 C 0 0 0
- 2.7775 -0.2538 -1.1969 C 0 0 0
- -2.7348 -1.7340 0.1158 C 0 0 0
- -1.4597 0.2867 -0.1536 C 0 0 0
- 3.3598 0.0893 0.0094 C 0 0 0
- -3.9004 -0.9930 0.1290 C 0 0 0
- -2.6281 1.0224 -0.1397 C 0 0 0
- 4.6707 0.7766 0.0275 N 0 3 0
- -3.8481 0.3835 -0.0012 C 0 0 0
- 5.2331 1.0430 -1.0195 O 0 0 0
- 5.1868 1.0758 1.0894 O 0 5 0
- -5.3151 1.3116 0.0153 Cl 0 0 0
- -0.3703 -2.8780 0.0000 H 0 0 0
- 0.9998 0.0539 0.0000 H 0 0 0
- 2.0129 -1.8232 0.0000 H 0 0 0
- 2.2605 0.7144 0.0000 H 0 0 0
- 3.2808 -1.1588 0.0000 H 0 0 0
- -2.7795 -2.7686 0.0000 H 0 0 0
- -0.5443 0.7708 0.0000 H 0 0 0
- -4.8173 -1.4742 0.0000 H 0 0 0
- -2.5869 2.0571 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 7 10 2 0
- 12 14 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13552-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- -5.7958 -1.4091 0.5014 C 0 0 0
- -6.7719 -0.3388 0.9172 C 0 0 0
- -4.7795 -1.7866 1.3594 C 0 0 0
- -5.9221 -2.0154 -0.7352 C 0 0 0
- -6.2512 1.0093 0.4899 C 0 0 0
- -3.8831 -2.7673 0.9816 C 0 0 0
- -5.0295 -2.9964 -1.1193 C 0 0 0
- -6.5825 1.5141 -0.7539 C 0 0 0
- -5.4477 1.7413 1.3451 C 0 0 0
- -4.0036 -3.3742 -0.2619 C 0 0 0
- -6.1070 2.7494 -1.1487 C 0 0 0
- -4.9689 2.9769 0.9568 C 0 0 0
- -3.0987 -4.3658 -0.6474 N 0 0 0
- -5.2952 3.4846 -0.2946 C 0 0 0
- -4.8123 4.7338 -0.6908 N 0 0 0
- 9.2689 -0.0931 -0.6266 Cl 0 0 0
- 17.8566 0.3583 0.3974 Cl 0 0 0
- -7.5578 0.1142 0.0000 H 0 0 0
- -7.3402 -1.0458 0.0000 H 0 0 0
- -4.2726 -1.0344 0.0000 H 0 0 0
- -6.7972 -2.2542 0.0000 H 0 0 0
- -3.0094 -2.5234 0.0000 H 0 0 0
- -5.5362 -3.7488 0.0000 H 0 0 0
- -7.4844 1.4175 0.0000 H 0 0 0
- -4.6995 1.2285 0.0000 H 0 0 0
- -6.8551 3.2624 0.0000 H 0 0 0
- -4.0664 3.0682 0.0000 H 0 0 0
- -3.3732 -5.2303 0.0000 H 0 0 0
- -2.2127 -4.1713 0.0000 H 0 0 0
- -3.9161 4.8736 0.0000 H 0 0 0
- -5.3815 5.4401 0.0000 H 0 0 0
- 10.1760 -0.0931 0.0000 H 0 0 0
- 18.7637 0.3583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 14 15 1 0
- 7 10 1 0
- 12 14 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26289-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 51 1 V2000
- 1.4559 0.3964 0.5213 S 0 0 0
- 0.8220 -1.2011 -0.0592 C 0 0 0
- 3.1716 0.1875 0.1787 C 0 0 0
- -0.6936 -1.2526 0.1437 C 0 0 0
- 4.0700 1.2053 0.4752 C 0 0 0
- 3.6305 -0.9980 -0.3835 C 0 0 0
- -1.3250 -0.1711 -0.6165 N 0 0 0
- -1.2202 -2.5796 -0.3386 C 0 0 0
- 3.5868 2.4676 1.0788 N 0 3 0
- 5.4141 1.0378 0.2058 C 0 0 0
- 4.9756 -1.1583 -0.6501 C 0 0 0
- -2.4737 0.3800 -0.1770 C 0 0 0
- -2.3138 -3.1194 0.2350 N 0 0 0
- -0.6598 -3.1619 -1.2429 O 0 0 0
- 4.3749 3.3592 1.3384 O 0 0 0
- 2.4012 2.6146 1.3157 O 0 5 0
- 5.8663 -0.1409 -0.3584 C 0 0 0
- -3.1233 1.4925 -0.9590 C 0 0 0
- -2.9846 -0.0192 0.8480 O 0 0 0
- -2.8258 -4.4094 -0.2339 C 0 0 0
- 7.3076 -0.3164 -0.6462 N 0 3 0
- -4.4037 1.9353 -0.2482 C 0 0 0
- -4.0460 -4.7864 0.5662 C 0 0 0
- 7.7075 -1.3540 -1.1431 O 0 0 0
- 8.0938 0.5769 -0.3860 O 0 5 0
- -5.0632 3.0647 -1.0422 C 0 0 0
- -4.4468 -4.0528 1.4385 O 0 0 0
- -4.6875 -5.9373 0.3097 O 0 0 0
- -6.3244 3.5009 -0.3421 C 0 0 0
- -4.1378 4.2016 -1.1374 N 0 0 0
- -6.2827 4.3801 0.4857 O 0 0 0
- -7.4941 2.9128 -0.6382 O 0 0 0
- 0.7208 -2.1773 0.0000 H 0 0 0
- 1.7752 -1.4349 0.0000 H 0 0 0
- -1.6722 -1.3265 0.0000 H 0 0 0
- 3.0288 -1.7733 0.0000 H 0 0 0
- -0.6597 0.5504 0.0000 H 0 0 0
- 6.0191 1.8106 0.0000 H 0 0 0
- 5.3273 -2.0745 0.0000 H 0 0 0
- -3.0352 -2.4540 0.0000 H 0 0 0
- -2.1703 1.7271 0.0000 H 0 0 0
- -3.0784 2.4729 0.0000 H 0 0 0
- -2.7534 -5.3881 0.0000 H 0 0 0
- -1.8557 -4.5580 0.0000 H 0 0 0
- -5.3567 1.7007 0.0000 H 0 0 0
- -4.4486 0.9549 0.0000 H 0 0 0
- -5.6861 2.3063 0.0000 H 0 0 0
- -5.1653 -6.7945 0.0000 H 0 0 0
- -3.1689 4.0456 0.0000 H 0 0 0
- -4.4872 5.1187 0.0000 H 0 0 0
- -8.3709 2.4720 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 8 1 0
- 14 8 2 0
- 15 9 2 0
- 16 9 1 0
- 17 10 2 0
- 18 12 1 0
- 19 12 2 0
- 20 13 1 0
- 21 17 1 0
- 22 18 1 0
- 23 20 1 0
- 24 21 2 0
- 25 21 1 0
- 26 22 1 0
- 27 23 2 0
- 28 23 1 0
- 29 26 1 0
- 30 26 1 0
- 31 29 2 0
- 32 29 1 0
- 11 17 1 0
- 2 33 1 0
- 2 34 1 0
- 4 35 1 0
- 6 36 1 0
- 7 37 1 0
- 10 38 1 0
- 11 39 1 0
- 13 40 1 0
- 18 41 1 0
- 18 42 1 0
- 20 43 1 0
- 20 44 1 0
- 22 45 1 0
- 22 46 1 0
- 26 47 1 0
- 28 48 1 0
- 30 49 1 0
- 30 50 1 0
- 32 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 1.7528 0.2557 -0.0849 C 0 0 0
- 0.4450 -0.2589 -0.6895 C 0 0 0
- 2.8951 -0.6129 -0.5452 C 0 0 0
- 1.9926 1.6968 -0.5397 C 0 0 0
- 1.6673 0.2142 1.3409 O 0 0 0
- -0.7147 0.6230 -0.2223 C 0 0 0
- 3.6235 -1.2566 0.3330 C 0 0 0
- -2.0029 0.1160 -0.8178 C 0 0 0
- -3.0158 -0.1723 -0.0387 C 0 0 0
- -3.5433 -1.5827 0.0204 C 0 0 0
- -3.6535 0.9065 0.7983 C 0 0 0
- -0.3285 -0.9633 0.0000 H 0 0 0
- 0.9979 -1.1470 0.0000 H 0 0 0
- 3.5585 0.1960 0.0000 H 0 0 0
- 3.0246 1.5251 0.0000 H 0 0 0
- 2.1643 2.7288 0.0000 H 0 0 0
- 0.9606 1.8685 0.0000 H 0 0 0
- 0.7261 -0.2426 0.0000 H 0 0 0
- 0.0587 1.3274 0.0000 H 0 0 0
- -1.2676 1.5111 0.0000 H 0 0 0
- 3.4155 -2.2819 0.0000 H 0 0 0
- 4.6154 -0.9241 0.0000 H 0 0 0
- -1.6677 -0.8750 0.0000 H 0 0 0
- -4.5232 -1.2162 0.0000 H 0 0 0
- -3.9098 -2.5626 0.0000 H 0 0 0
- -2.5634 -1.9492 0.0000 H 0 0 0
- -2.7529 1.4389 0.0000 H 0 0 0
- -4.1859 1.8071 0.0000 H 0 0 0
- -4.5541 0.3741 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 2 0
- 6 8 1 0
- 8 9 2 0
- 9 10 1 0
- 9 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87619-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- 0.1735 -0.2878 0.0618 C 0 0 0
- -0.9791 0.3574 -0.1804 C 0 0 0
- 1.7099 0.5558 -0.1182 S 0 0 0
- 0.1494 -1.9508 0.5590 Cl 0 0 0
- -2.2480 -0.3814 -0.1800 C 0 0 0
- -0.9688 2.0648 -0.4941 Cl 0 0 0
- 3.2634 -0.3137 0.2083 C 0 0 0
- -3.3822 0.2405 0.1497 C 0 0 0
- -2.2732 -2.0635 -0.6082 Cl 0 0 0
- 4.4387 0.6388 -0.0200 C 0 0 1
- -4.9030 -0.5786 -0.0230 Cl 0 0 0
- -3.3364 1.8684 0.7510 Cl 0 0 0
- 5.7322 -0.0851 0.2518 C 0 0 0
- 4.4242 1.1097 -1.4114 N 0 0 0
- 6.2582 -0.0788 1.4867 O 0 0 0
- 6.2958 -0.6713 -0.6419 O 0 0 0
- 2.5888 -1.2260 0.0000 H 0 0 0
- 4.0833 -1.0980 0.0000 H 0 0 0
- 3.4071 1.1112 0.0000 H 0 0 0
- 5.3889 1.7070 0.0000 H 0 0 0
- 3.4246 1.6465 0.0000 H 0 0 0
- 7.3927 -0.0652 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 8 12 1 0
- 10 13 1 0
- 10 14 1 0
- 13 15 1 0
- 13 16 2 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
- 14 20 1 0
- 14 21 1 0
- 15 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-145439-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.4850 -0.4397 -0.2722 C 0 0 0
- -1.4594 0.5314 -0.0665 C 0 0 0
- 0.7761 -0.2644 -0.8827 C 0 0 0
- -1.0054 -1.6163 0.2520 N 0 0 0
- -2.4920 -0.0628 0.5422 N 0 0 0
- -1.3756 1.8675 -0.4252 N 0 0 0
- 1.8240 0.1666 -0.1528 N 0 0 0
- 0.9169 -0.5025 -2.0682 O 0 0 0
- -2.2263 -1.3282 0.7367 C 0 0 0
- -0.3480 -2.9254 0.2723 C 0 0 0
- -2.4910 2.7737 -0.1404 C 0 0 0
- 1.7040 0.3150 1.1230 N 0 0 0
- 3.0993 0.4667 -0.8084 C 0 0 0
- 2.6136 0.8060 1.7672 O 0 0 0
- -0.4964 2.2527 0.0000 H 0 0 0
- -2.9134 -1.9985 0.0000 H 0 0 0
- -1.2058 -3.3562 0.0000 H 0 0 0
- 0.0828 -3.7832 0.0000 H 0 0 0
- 0.5098 -2.4946 0.0000 H 0 0 0
- -1.8857 3.5187 0.0000 H 0 0 0
- -3.2360 3.3790 0.0000 H 0 0 0
- -3.0963 2.0287 0.0000 H 0 0 0
- 3.3192 -0.4677 0.0000 H 0 0 0
- 4.0337 0.6866 0.0000 H 0 0 0
- 2.8794 1.4011 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 12 14 2 0
- 5 9 2 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1576-67-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -3.6168 -2.4601 0.0012 C 0 0 0
- -2.8292 -1.1753 0.0016 C 0 0 0
- -1.4642 -1.2202 0.0004 C 0 0 0
- -3.5003 0.0419 -0.0027 C 0 0 0
- -0.7328 -0.0309 0.0004 C 0 0 0
- -2.8136 1.2204 -0.0029 C 0 0 0
- 0.7328 -0.0309 -0.0003 C 0 0 0
- -1.4115 1.2088 0.0014 C 0 0 0
- 1.4115 1.2088 0.0001 C 0 0 0
- 1.4642 -1.2202 -0.0003 C 0 0 0
- -0.6742 2.4154 0.0017 C 0 0 0
- 0.6742 2.4154 0.0016 C 0 0 0
- 2.8136 1.2204 -0.0005 C 0 0 0
- 2.8292 -1.1753 0.0000 C 0 0 0
- 3.5003 0.0419 -0.0015 C 0 0 0
- 3.6167 -2.4602 0.0000 C 0 0 0
- -4.5115 -1.9117 0.0000 H 0 0 0
- -4.1652 -3.3548 0.0000 H 0 0 0
- -2.7221 -3.0085 0.0000 H 0 0 0
- -0.9673 -2.1445 0.0000 H 0 0 0
- -4.5496 0.0543 0.0000 H 0 0 0
- -3.3327 2.1324 0.0000 H 0 0 0
- 0.9673 -2.1445 0.0000 H 0 0 0
- -1.1875 3.3307 0.0000 H 0 0 0
- 1.1875 3.3307 0.0000 H 0 0 0
- 3.3327 2.1324 0.0000 H 0 0 0
- 4.5496 0.0543 0.0000 H 0 0 0
- 2.7220 -3.0086 0.0000 H 0 0 0
- 4.1651 -3.3549 0.0000 H 0 0 0
- 4.5114 -1.9118 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 7 1 0
- 11 8 2 0
- 12 9 2 0
- 13 9 1 0
- 14 10 2 0
- 15 13 2 0
- 16 14 1 0
- 6 8 1 0
- 11 12 1 0
- 14 15 1 0
- 1 17 1 0
- 1 18 1 0
- 1 19 1 0
- 3 20 1 0
- 4 21 1 0
- 6 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110004-69-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 55 1 V2000
- -1.3755 0.7468 0.9034 C 0 0 0
- -2.3469 -0.1383 0.4110 C 0 0 0
- -1.4772 2.1082 0.5379 C 0 0 0
- -0.3581 0.3035 1.7221 N 0 0 0
- -3.4147 0.3736 -0.4510 C 0 0 0
- -2.2966 -1.5112 0.7433 C 0 0 0
- -2.5757 2.5415 -0.3286 C 0 0 0
- -0.5474 3.0551 0.9873 C 0 0 0
- 0.8494 -0.1372 1.1634 C 0 0 0
- -3.4732 1.6685 -0.7723 N 0 0 0
- -4.3831 -0.5153 -0.9406 C 0 0 0
- -3.2302 -2.3639 0.2710 C 0 0 0
- -2.6557 3.9064 -0.6802 C 0 0 0
- -0.6801 4.3596 0.6117 C 0 0 0
- 1.8777 -0.5852 1.9901 C 0 0 0
- 1.0195 -0.1331 -0.2137 C 0 0 0
- -4.3085 -1.8827 -0.5929 C 0 0 0
- -1.7219 4.7771 -0.2116 C 0 0 0
- -3.7692 4.3957 -1.5700 C 0 0 0
- 3.0695 -1.0205 1.4356 C 0 0 0
- 1.7112 -0.5945 3.3396 O 0 0 0
- 2.2092 -0.5677 -0.7651 C 0 0 0
- -5.2176 -2.7310 -1.0494 N 0 0 0
- 3.2376 -1.0098 0.0574 C 0 0 0
- 2.9237 -1.1000 3.9020 C 0 0 0
- -5.1596 -3.8191 -0.7737 N 0 3 0
- 4.4416 -1.4490 -0.5035 N 0 0 0
- -5.1016 -4.9072 -0.4980 N 0 5 0
- 5.3584 -0.4121 -1.4126 S 0 0 0
- 5.9447 0.7975 -0.1945 C 0 0 0
- 6.4135 -1.2453 -1.8728 O 0 0 0
- 4.4047 0.1574 -2.2988 O 0 0 0
- -0.7108 -0.5785 0.0000 H 0 0 0
- -1.4205 -1.8785 0.0000 H 0 0 0
- 0.3490 2.7406 0.0000 H 0 0 0
- -5.2629 -0.1569 0.0000 H 0 0 0
- -3.0787 -3.3017 0.0000 H 0 0 0
- 0.0787 4.9311 0.0000 H 0 0 0
- 1.1737 0.8042 0.0000 H 0 0 0
- -1.8963 5.7109 0.0000 H 0 0 0
- -3.3870 5.2654 0.0000 H 0 0 0
- -4.6389 4.7779 0.0000 H 0 0 0
- -4.1514 3.5260 0.0000 H 0 0 0
- 2.9338 -1.9607 0.0000 H 0 0 0
- 2.5599 0.3151 0.0000 H 0 0 0
- 2.5582 -1.9768 0.0000 H 0 0 0
- 3.8005 -1.4655 0.0000 H 0 0 0
- 3.2892 -0.2232 0.0000 H 0 0 0
- 4.6752 -2.3698 0.0000 H 0 0 0
- 6.7995 0.3832 0.0000 H 0 0 0
- 6.3590 1.6523 0.0000 H 0 0 0
- 5.0899 1.2118 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 9 16 1 0
- 11 17 2 0
- 13 18 2 0
- 13 19 1 0
- 15 20 1 0
- 15 21 1 0
- 16 22 2 0
- 17 23 1 0
- 20 24 2 0
- 21 25 1 0
- 23 26 2 0
- 24 27 1 0
- 26 28 2 0
- 27 29 1 0
- 29 30 1 0
- 29 31 2 0
- 29 32 2 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 22 24 1 0
- 4 33 1 0
- 6 34 1 0
- 8 35 1 0
- 11 36 1 0
- 12 37 1 0
- 14 38 1 0
- 16 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 19 43 1 0
- 20 44 1 0
- 22 45 1 0
- 25 46 1 0
- 25 47 1 0
- 25 48 1 0
- 27 49 1 0
- 30 50 1 0
- 30 51 1 0
- 30 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5344-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 1.2074 -0.4383 -0.8679 N 0 0 0
- 0.1588 -0.2009 -0.0550 C 0 0 0
- 2.5070 -0.1533 -0.4346 C 0 0 0
- -1.2466 -0.4043 -0.5593 C 0 0 0
- 0.3464 0.1765 1.0823 O 0 0 0
- 3.5694 -0.2280 -1.3255 C 0 0 0
- 2.7363 0.2104 0.8861 C 0 0 0
- -1.8578 -1.6336 0.1161 C 0 0 0
- -2.3299 1.1813 -0.1380 Br 0 0 0
- 4.8512 0.0544 -0.8949 C 0 0 0
- 4.0200 0.4914 1.3103 C 0 0 0
- -1.9688 -1.3859 1.6219 C 0 0 0
- -3.2504 -1.8936 -0.4620 C 0 0 0
- -0.9655 -2.8506 -0.1361 C 0 0 0
- 5.0768 0.4111 0.4217 C 0 0 0
- 1.2041 -1.4227 0.0000 H 0 0 0
- -0.6694 -1.2017 0.0000 H 0 0 0
- 3.6415 -1.2098 0.0000 H 0 0 0
- 2.1708 1.0162 0.0000 H 0 0 0
- 5.4166 -0.7514 0.0000 H 0 0 0
- 3.9513 1.4734 0.0000 H 0 0 0
- -1.0705 -0.9833 0.0000 H 0 0 0
- -2.3714 -0.4876 0.0000 H 0 0 0
- -2.8671 -1.7885 0.0000 H 0 0 0
- -3.4311 -0.9259 0.0000 H 0 0 0
- -4.2181 -2.0743 0.0000 H 0 0 0
- -3.0697 -2.8613 0.0000 H 0 0 0
- -1.7594 -3.4327 0.0000 H 0 0 0
- -0.3834 -3.6445 0.0000 H 0 0 0
- -0.1716 -2.2685 0.0000 H 0 0 0
- 5.9565 0.8530 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 6 1 0
- 11 7 2 0
- 12 8 1 0
- 13 8 1 0
- 14 8 1 0
- 15 10 2 0
- 11 15 1 0
- 1 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-138-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -2.5370 0.0089 -0.0700 S 0 0 0
- -2.9155 -1.1804 -0.7493 O 0 0 0
- -2.9151 1.3262 -0.4452 O 0 0 0
- -3.0134 -0.1652 1.3650 O 0 0 0
- -0.7752 0.0054 -0.0442 C 0 0 0
- -0.0818 1.2010 -0.0441 C 0 0 0
- -0.0866 -1.1931 -0.0183 C 0 0 0
- 1.3007 1.1983 -0.0239 C 0 0 0
- 1.2954 -1.1958 0.0020 C 0 0 0
- 1.9892 0.0001 -0.0038 C 0 0 0
- 3.4692 -0.0028 0.0179 N 0 3 0
- 4.0760 -1.0587 0.0356 O 0 0 0
- 4.0803 1.0508 0.0179 O 0 5 0
- -3.9869 -0.5210 0.0000 H 0 0 0
- -0.5983 2.0996 0.0000 H 0 0 0
- -0.6067 -2.0897 0.0000 H 0 0 0
- 1.8207 2.0949 0.0000 H 0 0 0
- 1.8118 -2.0945 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 11 10 1 0
- 12 11 2 0
- 13 11 1 0
- 9 10 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-57-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 2.3616 0.0000 -0.0225 S 0 0 0
- 0.5996 0.0000 -0.0115 C 0 0 0
- 2.7858 0.0043 1.7412 C 0 0 0
- 2.6728 -1.2449 -0.6328 O 0 0 0
- 2.6728 1.2419 -0.6389 O 0 0 0
- -0.0912 1.1972 -0.0102 C 0 0 0
- -0.0915 -1.1975 -0.0101 C 0 0 0
- -1.4735 1.1979 -0.0020 C 0 0 0
- -1.4734 -1.1981 -0.0020 C 0 0 0
- -2.1655 0.0001 0.0047 C 0 0 0
- -3.9014 0.0001 0.0149 Cl 0 0 0
- 2.7963 -1.0324 0.0000 H 0 0 0
- 3.8225 0.0148 0.0000 H 0 0 0
- 2.7753 1.0410 0.0000 H 0 0 0
- 0.4275 2.0948 0.0000 H 0 0 0
- 0.4271 -2.0952 0.0000 H 0 0 0
- -1.9915 2.0959 0.0000 H 0 0 0
- -1.9915 -2.0961 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 9 10 1 0
- 3 12 1 0
- 3 13 1 0
- 3 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38914-97-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 52 1 V2000
- -5.4737 1.1350 0.2609 C 0 0 0
- -6.1067 1.2909 -0.9883 C 0 0 0
- -5.1110 2.3014 0.9627 C 0 0 0
- -5.2229 -0.1163 0.7811 N 0 0 0
- -6.3529 2.5968 -1.4876 C 0 0 0
- -6.4964 0.1724 -1.7449 C 0 0 0
- -5.3917 3.5726 0.3958 C 0 0 0
- -4.4759 2.2232 2.2140 C 0 0 0
- -3.8908 -0.5123 0.3048 C 0 0 0
- -5.9919 3.6721 -0.7890 N 0 0 0
- -6.9871 2.7384 -2.7389 C 0 0 0
- -7.1056 0.3519 -2.9482 C 0 0 0
- -5.0233 4.7318 1.1091 C 0 0 0
- -4.1362 3.3658 2.8699 C 0 0 0
- -3.5468 -1.9006 0.8483 C 0 0 0
- -7.3501 1.6333 -3.4420 C 0 0 0
- -4.4109 4.6167 2.3169 C 0 0 0
- -2.1594 -2.3130 0.3522 C 0 0 0
- -1.8291 -3.6459 0.8740 N 0 0 0
- -0.4928 -3.9798 0.3633 C 0 0 0
- -1.7022 -3.5092 2.3311 C 0 0 0
- -0.5868 -5.2051 -0.5482 C 0 0 0
- -2.3622 -4.7081 3.0151 C 0 0 0
- 1.0534 -5.6150 -1.1750 Cl 0 0 0
- 12.9537 0.3749 0.1766 Cl 0 0 0
- 21.3550 2.3614 -0.5114 Cl 0 0 0
- -5.9016 -0.7358 0.0000 H 0 0 0
- -6.0766 -0.6450 0.0000 H 0 0 0
- -3.9726 1.4544 0.0000 H 0 0 0
- -2.9739 -0.4521 0.0000 H 0 0 0
- -3.7884 0.4009 0.0000 H 0 0 0
- -7.4412 3.5373 0.0000 H 0 0 0
- -7.7864 -0.2653 0.0000 H 0 0 0
- -5.4947 5.5206 0.0000 H 0 0 0
- -3.2179 3.3324 0.0000 H 0 0 0
- -4.4637 -1.9609 0.0000 H 0 0 0
- -3.6492 -2.8138 0.0000 H 0 0 0
- -8.2671 1.6925 0.0000 H 0 0 0
- -3.7711 5.2763 0.0000 H 0 0 0
- -1.2425 -2.2527 0.0000 H 0 0 0
- -2.0570 -1.3998 0.0000 H 0 0 0
- 0.4180 -4.1013 0.0000 H 0 0 0
- -0.3204 -3.0772 0.0000 H 0 0 0
- -0.7850 -3.5655 0.0000 H 0 0 0
- -2.0436 -2.6561 0.0000 H 0 0 0
- -1.4976 -5.0835 0.0000 H 0 0 0
- -0.7592 -6.1077 0.0000 H 0 0 0
- -3.1672 -4.2650 0.0000 H 0 0 0
- -2.8053 -5.5131 0.0000 H 0 0 0
- -1.5572 -5.1512 0.0000 H 0 0 0
- 13.8726 0.3749 0.0000 H 0 0 0
- 22.2739 2.3614 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 7 10 2 0
- 12 16 1 0
- 14 17 1 0
- 4 27 1 0
- 6 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 20 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 23 50 1 0
- 25 51 1 0
- 26 52 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64000-73-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.1405 0.5328 -0.0188 C 0 0 0
- -1.3744 1.1100 -0.3166 N 0 0 0
- 0.9107 1.3500 0.5839 C 0 0 0
- 0.0585 -0.7339 -0.2777 N 0 0 0
- -2.4352 0.3001 -0.9208 C 0 0 0
- -1.6101 2.5263 -0.0252 C 0 0 0
- 2.1800 0.8705 0.6356 C 0 0 0
- 1.3014 -1.3203 0.0227 N 0 0 0
- -3.2855 -0.3321 0.1829 C 0 0 0
- 2.4140 -0.4709 0.0735 C 0 0 0
- -4.3933 -1.1780 -0.4481 C 0 0 0
- -2.4607 -1.1625 1.0028 O 0 0 0
- 3.5957 -0.8479 -0.3509 N 0 0 0
- 4.6811 0.0348 -0.2769 N 0 0 0
- 0.7586 2.3580 0.0000 H 0 0 0
- -2.3132 -0.7120 0.0000 H 0 0 0
- -1.4960 -0.0963 0.0000 H 0 0 0
- -0.6045 2.6937 0.0000 H 0 0 0
- -1.7775 3.5319 0.0000 H 0 0 0
- -2.6157 2.3589 0.0000 H 0 0 0
- 2.9655 1.5203 0.0000 H 0 0 0
- 1.4089 -2.3341 0.0000 H 0 0 0
- -3.8990 0.4821 0.0000 H 0 0 0
- -5.0120 -0.3678 0.0000 H 0 0 0
- -5.2035 -1.7967 0.0000 H 0 0 0
- -3.7746 -1.9882 0.0000 H 0 0 0
- -1.7423 -1.8858 0.0000 H 0 0 0
- 5.6336 -0.3285 0.0000 H 0 0 0
- 4.5195 1.0414 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 2 0
- 13 14 1 0
- 8 10 1 0
- 3 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2381-15-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.6070 0.0032 -0.0024 C 0 0 0
- -2.0075 -0.4440 -0.0016 C 0 0 0
- -0.3299 1.4407 0.0000 C 0 0 0
- 0.4320 -0.9123 0.0002 C 0 0 0
- -3.0386 0.5186 0.0015 C 0 0 0
- -2.3270 -1.8028 -0.0035 C 0 0 0
- 0.9827 1.8987 -0.0002 C 0 0 0
- -1.4477 2.3831 0.0032 C 0 0 0
- 1.7543 -0.4576 -0.0007 C 0 0 0
- -2.7201 1.9429 0.0035 C 0 0 0
- -4.3735 0.0901 0.0024 C 0 0 0
- -3.6474 -2.1921 -0.0022 C 0 0 0
- 2.0350 0.9799 -0.0028 C 0 0 0
- 2.8361 -1.3605 0.0026 C 0 0 0
- -4.6620 -1.2435 0.0001 C 0 0 0
- 3.3782 1.4081 -0.0031 C 0 0 0
- 4.1081 -0.8824 0.0022 C 0 0 0
- 4.3758 0.4856 -0.0056 C 0 0 0
- 5.2586 -1.8558 0.0063 C 0 0 0
- 0.2283 -1.9405 0.0000 H 0 0 0
- -1.5654 -2.5231 0.0000 H 0 0 0
- 1.1817 2.9279 0.0000 H 0 0 0
- -1.2562 3.4137 0.0000 H 0 0 0
- -3.5020 2.6410 0.0000 H 0 0 0
- -5.1500 0.7943 0.0000 H 0 0 0
- -3.8890 -3.2121 0.0000 H 0 0 0
- 2.6608 -2.3940 0.0000 H 0 0 0
- -5.6625 -1.5563 0.0000 H 0 0 0
- 3.6058 2.4313 0.0000 H 0 0 0
- 5.3722 0.8110 0.0000 H 0 0 0
- 4.5815 -2.6560 0.0000 H 0 0 0
- 6.0588 -2.5329 0.0000 H 0 0 0
- 5.9357 -1.0556 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 17 19 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41340-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 1.9779 0.2948 -0.4169 C 0 0 0
- 0.4875 0.3866 -0.1976 C 0 0 0
- 2.4939 1.6105 -0.6344 O 0 0 0
- 2.6412 -0.3184 0.8179 C 0 0 0
- 2.2633 -0.5767 -1.6416 C 0 0 0
- -0.1178 1.5425 0.1693 C 0 0 0
- -0.4471 -0.6021 -0.3198 N 0 0 0
- 2.1442 2.4252 0.4837 C 0 0 0
- 2.0402 -1.6733 1.0902 C 0 0 0
- 3.4633 -0.0097 -2.4027 C 0 0 0
- -1.5297 1.2722 0.2826 C 0 0 0
- 0.6598 2.8154 0.3958 C 0 0 0
- -1.6876 -0.1028 -0.0368 C 0 0 0
- 2.3608 -2.3365 2.2124 O 0 0 0
- 1.2698 -2.1626 0.2985 O 0 0 0
- -2.6300 2.0674 0.6193 C 0 0 0
- -2.9487 -0.6943 -0.0202 C 0 0 0
- -3.8597 1.4576 0.6262 C 0 0 0
- -4.0183 0.1165 0.3174 C 0 0 0
- -3.1397 -2.1511 -0.3553 C 0 0 0
- -3.3836 -2.3010 -1.8583 C 0 0 0
- 3.5212 -0.8305 0.0000 H 0 0 0
- 3.2465 0.5003 0.0000 H 0 0 0
- 1.3097 -0.9336 0.0000 H 0 0 0
- 2.6596 -1.5146 0.0000 H 0 0 0
- -0.2294 -1.5967 0.0000 H 0 0 0
- 3.1451 2.6121 0.0000 H 0 0 0
- 2.1811 3.4427 0.0000 H 0 0 0
- 3.8983 -0.9303 0.0000 H 0 0 0
- 4.3839 0.4253 0.0000 H 0 0 0
- 3.0283 0.9109 0.0000 H 0 0 0
- 1.0129 3.7704 0.0000 H 0 0 0
- -0.2565 3.2594 0.0000 H 0 0 0
- 2.8039 -3.2532 0.0000 H 0 0 0
- -2.5459 3.0821 0.0000 H 0 0 0
- -4.6919 2.0443 0.0000 H 0 0 0
- -4.9552 -0.2821 0.0000 H 0 0 0
- -2.8156 -3.1163 0.0000 H 0 0 0
- -2.1263 -2.0527 0.0000 H 0 0 0
- -3.9167 -1.4336 0.0000 H 0 0 0
- -4.2510 -2.8341 0.0000 H 0 0 0
- -2.8505 -3.1684 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 2 0
- 11 16 1 0
- 13 17 1 0
- 16 18 2 0
- 17 19 2 0
- 17 20 1 0
- 20 21 1 0
- 8 12 1 0
- 11 13 2 0
- 18 19 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 10 29 1 0
- 10 30 1 0
- 10 31 1 0
- 12 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 61 1 V2000
- -0.0052 0.5734 0.1638 C 0 0 0
- -1.2548 0.6567 1.0428 C 0 0 0
- 1.2437 0.6499 1.0443 C 0 0 0
- -0.0083 -0.7307 -0.5914 C 0 0 0
- -0.0016 1.6783 -0.7783 O 0 0 0
- -2.4849 0.5814 0.1756 C 0 0 0
- 2.4745 0.5678 0.1785 C 0 0 0
- -0.0119 -1.8940 0.0782 O 0 0 0
- -0.0076 -0.7291 -1.7996 O 0 0 0
- 0.0487 2.9425 -0.3299 C 0 0 0
- -3.7042 0.6355 0.7342 O 0 0 0
- -2.3736 0.4723 -1.0226 O 0 0 0
- 3.6934 0.6153 0.7386 O 0 0 0
- 2.3640 0.4593 -1.0198 O 0 0 0
- -0.0149 -3.1505 -0.6494 C 0 0 0
- 0.1780 4.0835 -1.3058 C 0 0 0
- -0.0097 3.1656 0.8562 O 0 0 0
- -4.8895 0.5629 -0.1014 C 0 0 0
- 4.8792 0.5362 -0.0957 C 0 0 0
- -0.0187 -4.3147 0.3433 C 0 0 0
- -6.1390 0.6462 0.7776 C 0 0 0
- 6.1281 0.6127 0.7848 C 0 0 0
- -0.0218 -5.6387 -0.4234 C 0 0 0
- -7.3879 0.5698 -0.1029 C 0 0 0
- 7.3777 0.5294 -0.0942 C 0 0 0
- -0.0256 -6.8029 0.5693 C 0 0 0
- -8.6375 0.6531 0.7761 C 0 0 0
- 8.6266 0.6059 0.7863 C 0 0 0
- -0.7736 1.4458 0.0000 H 0 0 0
- -1.7317 1.4484 0.0000 H 0 0 0
- 1.7249 1.4390 0.0000 H 0 0 0
- 0.7668 1.4416 0.0000 H 0 0 0
- 0.7842 -3.6150 0.0000 H 0 0 0
- 0.7868 -2.6905 0.0000 H 0 0 0
- 1.0964 3.9794 0.0000 H 0 0 0
- 0.2821 5.0019 0.0000 H 0 0 0
- -0.7404 4.1876 0.0000 H 0 0 0
- -5.3707 -0.2263 0.0000 H 0 0 0
- -4.4125 -0.2288 0.0000 H 0 0 0
- 4.3980 -0.2529 0.0000 H 0 0 0
- 5.3561 -0.2555 0.0000 H 0 0 0
- -0.8178 -3.8502 0.0000 H 0 0 0
- -0.8204 -4.7747 0.0000 H 0 0 0
- -5.6578 1.4353 0.0000 H 0 0 0
- -6.6159 1.4380 0.0000 H 0 0 0
- 6.6093 1.4019 0.0000 H 0 0 0
- 5.6511 1.4044 0.0000 H 0 0 0
- 0.7773 -6.1032 0.0000 H 0 0 0
- 0.7799 -5.1787 0.0000 H 0 0 0
- -7.8691 -0.2193 0.0000 H 0 0 0
- -6.9110 -0.2220 0.0000 H 0 0 0
- 6.8965 -0.2598 0.0000 H 0 0 0
- 7.8547 -0.2623 0.0000 H 0 0 0
- -0.9499 -6.7999 0.0000 H 0 0 0
- -0.0286 -7.7272 0.0000 H 0 0 0
- 0.8987 -6.8059 0.0000 H 0 0 0
- -8.5760 1.5754 0.0000 H 0 0 0
- -9.5598 0.7146 0.0000 H 0 0 0
- -8.6990 -0.2692 0.0000 H 0 0 0
- 8.6831 -0.3167 0.0000 H 0 0 0
- 9.5492 0.6624 0.0000 H 0 0 0
- 8.5701 1.5285 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 8 15 1 0
- 10 16 1 0
- 10 17 2 0
- 11 18 1 0
- 13 19 1 0
- 15 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 2 29 1 0
- 2 30 1 0
- 3 31 1 0
- 3 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 16 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 26 54 1 0
- 26 55 1 0
- 26 56 1 0
- 27 57 1 0
- 27 58 1 0
- 27 59 1 0
- 28 60 1 0
- 28 61 1 0
- 28 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1955-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.7119 -0.1470 0.0020 C 0 0 0
- -0.8029 -0.1241 -0.0543 C 0 0 0
- 0.6123 1.2374 0.6651 C 0 0 0
- 1.2773 -1.2308 0.9221 C 0 0 0
- 1.3794 -0.1236 -1.3745 C 0 0 0
- -0.6875 1.2247 -0.0049 O 0 0 0
- -1.6980 -0.9334 -0.1156 O 0 0 0
- 1.5859 1.2872 0.0000 H 0 0 0
- 0.5826 2.2118 0.0000 H 0 0 0
- 0.4130 -1.6817 0.0000 H 0 0 0
- 1.7282 -2.0951 0.0000 H 0 0 0
- 2.1416 -0.7799 0.0000 H 0 0 0
- 1.4136 -1.0979 0.0000 H 0 0 0
- 2.3537 -0.0894 0.0000 H 0 0 0
- 1.3452 0.8507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 6 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53609-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- 0.0057 -0.5538 -0.6621 N 0 0 0
- -1.2519 0.0601 -1.0953 C 0 0 0
- 1.2840 0.0723 -1.0088 C 0 0 0
- -0.0126 -1.6428 0.0292 N 0 0 0
- -1.9855 0.6315 0.1196 C 0 0 0
- 1.9693 0.5717 0.2647 C 0 0 0
- 1.0330 -2.1532 0.3893 O 0 0 0
- -3.2050 1.4279 -0.3491 C 0 0 0
- -2.4119 -0.4385 0.9653 O 0 0 0
- 3.3927 1.0248 -0.0662 C 0 0 0
- 1.2321 1.6716 0.8022 O 0 0 0
- -2.0900 -0.3496 0.0000 H 0 0 0
- -1.2516 -0.8728 0.0000 H 0 0 0
- 1.2746 -0.8605 0.0000 H 0 0 0
- 2.1134 -0.3548 0.0000 H 0 0 0
- -1.4434 1.3907 0.0000 H 0 0 0
- 2.3909 -0.2604 0.0000 H 0 0 0
- -2.6949 2.2090 0.0000 H 0 0 0
- -3.9861 1.9380 0.0000 H 0 0 0
- -3.7151 0.6468 0.0000 H 0 0 0
- -2.7572 -1.3051 0.0000 H 0 0 0
- 3.6757 0.1359 0.0000 H 0 0 0
- 4.2816 1.3078 0.0000 H 0 0 0
- 3.1097 1.9137 0.0000 H 0 0 0
- 0.7127 2.4465 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0549 0.6533 -0.3869 C 0 0 0
- -1.3002 0.5679 0.3183 C 0 0 0
- 0.7798 1.9265 0.0540 C 0 0 0
- 1.0502 -0.7860 0.0472 Cl 0 0 0
- -1.9773 -0.6212 -0.0936 O 0 0 0
- -0.5078 1.5546 0.0000 H 0 0 0
- -1.1618 1.6214 0.0000 H 0 0 0
- -2.3074 0.9063 0.0000 H 0 0 0
- 1.7032 1.4008 0.0000 H 0 0 0
- 1.3055 2.8499 0.0000 H 0 0 0
- -0.1436 2.4522 0.0000 H 0 0 0
- -2.5031 -1.5445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-34798-80-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.0101 0.9751 -1.0910 C 0 0 0
- -2.5393 0.9356 -1.0666 C 0 0 0
- -3.0272 1.4076 0.2336 N 0 0 0
- -2.5902 0.4368 1.2426 C 0 0 0
- -1.0637 0.4489 1.3454 C 0 0 0
- -0.4647 0.0429 -0.0047 C 0 0 0
- -0.8500 -1.3794 -0.3204 C 0 0 0
- -1.6496 -1.9571 0.3761 O 0 0 0
- -0.2375 -2.0808 -1.5053 C 0 0 0
- 1.0368 0.1581 0.0518 C 0 0 0
- 1.6625 1.2876 -0.4425 C 0 0 0
- 3.0396 1.3933 -0.3906 C 0 0 0
- 3.7915 0.3695 0.1554 C 0 0 0
- 3.1660 -0.7596 0.6495 C 0 0 0
- 1.7880 -0.8628 0.6029 C 0 0 0
- -0.1118 1.3148 0.0000 H 0 0 0
- -1.1949 1.9175 0.0000 H 0 0 0
- -3.3614 0.4392 0.0000 H 0 0 0
- -2.2697 0.0138 0.0000 H 0 0 0
- -3.5793 2.1934 0.0000 H 0 0 0
- -3.5119 0.1671 0.0000 H 0 0 0
- -2.4502 -0.5133 0.0000 H 0 0 0
- -0.3007 1.0322 0.0000 H 0 0 0
- -1.3752 1.3574 0.0000 H 0 0 0
- -0.9609 -2.7125 0.0000 H 0 0 0
- 0.3942 -2.8042 0.0000 H 0 0 0
- 0.4859 -1.4491 0.0000 H 0 0 0
- 1.1436 2.0958 0.0000 H 0 0 0
- 3.4403 2.2661 0.0000 H 0 0 0
- 4.7499 0.4307 0.0000 H 0 0 0
- 3.6841 -1.5682 0.0000 H 0 0 0
- 1.3869 -1.7354 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 3 1 0
- 5 4 1 0
- 6 1 1 0
- 7 6 1 0
- 8 7 2 0
- 9 7 1 0
- 10 6 1 0
- 11 10 1 0
- 12 11 2 0
- 13 12 1 0
- 14 13 2 0
- 15 10 2 0
- 5 6 1 0
- 14 15 1 0
- 1 16 1 0
- 1 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119631-00-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -4.0993 0.7388 0.0019 C 0 0 0
- -4.4569 -0.6047 0.0000 C 0 0 0
- -2.7610 1.1001 0.0024 C 0 0 0
- -5.0889 1.7249 -0.0026 N 0 0 0
- -3.4818 -1.5852 -0.0013 C 0 0 0
- -5.9127 -0.9940 -0.0001 C 0 0 0
- -1.7760 0.1104 0.0011 C 0 0 0
- -2.1470 -1.2376 -0.0007 C 0 0 0
- -0.4540 0.4582 0.0016 N 0 0 0
- 0.4540 -0.4581 0.0004 N 0 0 0
- 1.7760 -0.1103 0.0009 C 0 0 0
- 2.7613 -1.1002 -0.0004 C 0 0 0
- 2.1468 1.2374 -0.0030 C 0 0 0
- 4.0992 -0.7390 0.0002 C 0 0 0
- 3.4821 1.5851 -0.0024 C 0 0 0
- 4.4568 0.6049 0.0016 C 0 0 0
- 5.0887 -1.7251 -0.0011 N 0 0 0
- 5.9127 0.9942 0.0017 C 0 0 0
- -2.4909 2.1072 0.0000 H 0 0 0
- -4.8208 2.7326 0.0000 H 0 0 0
- -6.0956 1.4532 0.0000 H 0 0 0
- -3.7566 -2.5910 0.0000 H 0 0 0
- -6.1821 0.0133 0.0000 H 0 0 0
- -6.9200 -1.2634 0.0000 H 0 0 0
- -5.6433 -2.0013 0.0000 H 0 0 0
- -1.4148 -1.9800 0.0000 H 0 0 0
- 2.4912 -2.1073 0.0000 H 0 0 0
- 1.4146 1.9798 0.0000 H 0 0 0
- 3.7569 2.5909 0.0000 H 0 0 0
- 4.8206 -2.7327 0.0000 H 0 0 0
- 6.0954 -1.4535 0.0000 H 0 0 0
- 6.1821 -0.0131 0.0000 H 0 0 0
- 6.9200 1.2636 0.0000 H 0 0 0
- 5.6433 2.0015 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 9 10 2 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 16 18 1 0
- 7 8 1 0
- 15 16 2 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 6 25 1 0
- 8 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-77-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- 3.3712 -0.2757 0.0005 N 0 0 0
- 2.1281 0.2448 -0.0081 C 0 0 0
- 4.3925 0.2517 -0.9078 C 0 0 0
- 3.7030 -1.3649 0.9224 C 0 0 0
- 0.9347 -0.3716 1.0534 S 0 0 0
- 1.7424 1.5223 -1.0804 S 0 0 0
- 5.1430 1.3953 -0.2224 C 0 0 0
- 3.4215 -2.7085 0.2467 C 0 0 0
- -0.9655 0.4240 1.0403 S 0 0 0
- -2.1611 -0.2321 0.0054 C 0 0 0
- -3.4042 0.2884 -0.0032 N 0 0 0
- -1.7775 -1.5494 -1.0186 S 0 0 0
- -4.4273 -0.2730 -0.8888 C 0 0 0
- -3.7324 1.4156 0.8731 C 0 0 0
- -5.0257 -1.5262 -0.2466 C 0 0 0
- -3.2270 2.7151 0.2433 C 0 0 0
- 4.5177 -0.7513 0.0000 H 0 0 0
- 5.3770 0.0230 0.0000 H 0 0 0
- 4.5579 -1.9041 0.0000 H 0 0 0
- 4.5065 -0.7517 0.0000 H 0 0 0
- 5.9880 0.8407 0.0000 H 0 0 0
- 5.6976 2.2403 0.0000 H 0 0 0
- 4.2980 1.9499 0.0000 H 0 0 0
- 2.4322 -2.5012 0.0000 H 0 0 0
- 3.2142 -3.6978 0.0000 H 0 0 0
- 4.4108 -2.9158 0.0000 H 0 0 0
- -4.6143 0.7203 0.0000 H 0 0 0
- -5.4296 -0.1423 0.0000 H 0 0 0
- -4.5206 2.0483 0.0000 H 0 0 0
- -4.5729 0.8542 0.0000 H 0 0 0
- -5.9378 -1.0907 0.0000 H 0 0 0
- -5.4612 -2.4383 0.0000 H 0 0 0
- -4.1136 -1.9617 0.0000 H 0 0 0
- -2.2850 2.3487 0.0000 H 0 0 0
- -2.8606 3.6571 0.0000 H 0 0 0
- -4.1690 3.0815 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 8 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.8170 0.1871 -0.0011 C 0 0 0
- -0.6651 0.2397 -0.0018 C 0 0 0
- 1.5155 0.1605 1.2050 C 0 0 0
- 1.5165 0.1584 -1.2061 C 0 0 0
- -1.4110 -0.9452 0.0001 C 0 0 0
- -1.3215 1.4676 0.0013 C 0 0 0
- 2.8945 0.1116 1.1997 C 0 0 0
- 2.8959 0.1096 -1.1993 C 0 0 0
- -2.7971 -0.8855 -0.0002 C 0 0 0
- -0.7633 -2.1804 0.0028 N 0 0 0
- -2.7014 1.5115 0.0010 C 0 0 0
- 3.5838 0.0891 0.0004 C 0 0 0
- -3.4367 0.3393 -0.0024 C 0 0 0
- 1.4774 -0.8747 0.0000 H 0 0 0
- 1.4770 -0.8767 0.0000 H 0 0 0
- -0.7749 2.3475 0.0000 H 0 0 0
- 2.8592 -0.9237 0.0000 H 0 0 0
- 2.8622 -0.9257 0.0000 H 0 0 0
- -3.3529 -1.7597 0.0000 H 0 0 0
- -1.3173 -3.0557 0.0000 H 0 0 0
- 0.2717 -2.2225 0.0000 H 0 0 0
- -3.1883 2.4258 0.0000 H 0 0 0
- 4.6192 0.0568 0.0000 H 0 0 0
- -4.4718 0.3802 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 8 12 2 0
- 11 13 2 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-66734-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 76 1 V2000
- 1.6688 -0.6887 0.1348 C 0 0 2
- 0.3381 -0.0546 -0.2574 C 0 0 2
- 1.7035 -0.6434 1.6829 C 0 0 1
- 2.8145 0.1060 -0.4367 C 0 0 0
- 1.7273 -2.0632 -0.3297 O 0 0 0
- -0.5812 -0.3803 0.9504 C 0 0 1
- -0.3374 -0.6189 -1.4924 C 0 0 0
- 0.5028 1.4604 -0.3939 C 0 0 0
- 0.3371 -0.0587 2.1345 C 0 0 0
- 1.8569 -2.0634 2.2314 C 0 0 0
- 3.9130 0.6019 0.4681 C 0 0 0
- 2.8525 0.3455 -1.6197 O 0 0 0
- 2.8976 -2.5888 -0.7246 C 0 0 0
- -1.8137 0.4953 0.8179 C 0 0 1
- -1.6486 0.1586 -1.6882 C 0 0 1
- 4.8915 1.3347 -0.3154 O 0 0 0
- 2.9425 -3.9814 -1.2990 C 0 0 0
- 3.9149 -1.9455 -0.6196 O 0 0 0
- -2.5496 0.0633 -0.4604 C 0 0 2
- -2.7271 0.2945 2.0287 C 0 0 1
- -1.3532 1.5306 -1.9569 O 0 0 0
- 5.9655 1.8717 0.2845 C 0 0 0
- 4.3850 -4.3353 -1.6661 C 0 0 0
- -3.7733 0.9627 -0.6591 C 0 0 2
- -3.9479 1.2124 1.9096 C 0 0 0
- -3.2709 -1.4234 2.0928 Cl 0 0 0
- 6.9811 2.6322 -0.5287 C 0 0 0
- 6.1180 1.7453 1.4764 O 0 0 0
- -4.6203 0.9333 0.5785 C 0 0 0
- -4.5073 0.5860 -1.9004 C 0 0 0
- -3.2723 2.3958 -0.8490 C 0 0 0
- 8.0963 3.1357 0.3899 C 0 0 0
- -5.9185 0.6643 0.5603 C 0 0 0
- -5.8008 0.3080 -1.9414 C 0 0 0
- -6.6008 0.3547 -0.7057 C 0 0 0
- -7.7986 0.1418 -0.7314 O 0 0 0
- 2.4412 -0.0975 0.0000 H 0 0 0
- -0.7096 -1.2890 0.0000 H 0 0 0
- -0.8916 -1.3503 0.0000 H 0 0 0
- 0.3267 -1.2522 0.0000 H 0 0 0
- 1.4151 1.3612 0.0000 H 0 0 0
- 0.6020 2.3727 0.0000 H 0 0 0
- -0.4095 1.5596 0.0000 H 0 0 0
- 0.9148 0.6544 0.0000 H 0 0 0
- -0.1912 0.6917 0.0000 H 0 0 0
- 0.9445 -2.1620 0.0000 H 0 0 0
- 1.9555 -2.9758 0.0000 H 0 0 0
- 2.7693 -1.9648 0.0000 H 0 0 0
- 3.8886 -0.3155 0.0000 H 0 0 0
- 4.7281 0.1803 0.0000 H 0 0 0
- -1.6308 1.3946 0.0000 H 0 0 0
- -1.8443 -0.7380 0.0000 H 0 0 0
- 2.0264 -3.9276 0.0000 H 0 0 0
- 2.8057 -4.8888 0.0000 H 0 0 0
- -2.7893 -0.8225 0.0000 H 0 0 0
- -2.5321 1.1912 0.0000 H 0 0 0
- -1.1600 2.4277 0.0000 H 0 0 0
- 4.1663 -5.2266 0.0000 H 0 0 0
- 5.2763 -4.5540 0.0000 H 0 0 0
- 4.6037 -3.4440 0.0000 H 0 0 0
- -3.2755 1.8370 0.0000 H 0 0 0
- -4.4439 1.9845 0.0000 H 0 0 0
- 7.0055 3.5496 0.0000 H 0 0 0
- 6.1660 3.0538 0.0000 H 0 0 0
- -4.1987 -0.2783 0.0000 H 0 0 0
- -2.4060 2.0930 0.0000 H 0 0 0
- -2.9695 3.2621 0.0000 H 0 0 0
- -4.1386 2.6986 0.0000 H 0 0 0
- 8.4739 2.2993 0.0000 H 0 0 0
- 8.9327 3.5133 0.0000 H 0 0 0
- 7.7187 3.9721 0.0000 H 0 0 0
- -6.2029 1.5368 0.0000 H 0 0 0
- -5.7305 -0.6070 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 2 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 2 0
- 14 19 1 0
- 14 20 1 0
- 15 21 1 0
- 16 22 1 0
- 17 23 1 0
- 19 24 1 0
- 20 25 1 0
- 20 26 1 0
- 22 27 1 0
- 22 28 2 0
- 24 29 1 0
- 24 30 1 0
- 24 31 1 0
- 27 32 1 0
- 29 33 2 0
- 30 34 2 0
- 33 35 1 0
- 35 36 2 0
- 6 9 1 0
- 15 19 1 0
- 25 29 1 0
- 34 35 1 0
- 3 37 1 0
- 6 38 1 0
- 7 39 1 0
- 7 40 1 0
- 8 41 1 0
- 8 42 1 0
- 8 43 1 0
- 9 44 1 0
- 9 45 1 0
- 10 46 1 0
- 10 47 1 0
- 10 48 1 0
- 11 49 1 0
- 11 50 1 0
- 14 51 1 0
- 15 52 1 0
- 17 53 1 0
- 17 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 23 58 1 0
- 23 59 1 0
- 23 60 1 0
- 25 61 1 0
- 25 62 1 0
- 27 63 1 0
- 27 64 1 0
- 30 65 1 0
- 31 66 1 0
- 31 67 1 0
- 31 68 1 0
- 32 69 1 0
- 32 70 1 0
- 32 71 1 0
- 33 72 1 0
- 34 73 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-632-21-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.0001 -0.7647 -0.0008 C 0 0 0
- -1.2181 -0.0107 -0.4686 C 0 0 0
- 1.2184 -0.0118 0.4679 C 0 0 0
- -0.0022 -1.9723 0.0033 O 0 0 0
- -2.6962 -0.9848 -0.1266 Cl 0 0 0
- -1.3213 1.5643 0.4029 Cl 0 0 0
- 2.6959 -0.9865 0.1248 Cl 0 0 0
- 1.3225 1.5640 -0.4021 Cl 0 0 0
- -0.2033 0.5989 0.0000 H 0 0 0
- 0.2041 0.5985 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 2 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-298-81-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.6514 -0.1126 -0.0914 C 0 0 0
- -0.5148 -0.8590 -0.1871 C 0 0 0
- 0.5811 1.2855 0.0760 C 0 0 0
- 1.8589 -0.7199 -0.1521 O 0 0 0
- -1.7524 -0.2285 -0.1180 C 0 0 0
- -0.4472 -2.2081 -0.3491 O 0 0 0
- -0.6575 1.9231 0.1459 C 0 0 0
- 1.8265 2.0533 0.1753 C 0 0 0
- 3.0005 -0.0214 -0.0616 C 0 0 0
- -1.8194 1.1683 0.0492 C 0 0 0
- -3.0217 -0.6831 -0.1789 O 0 0 0
- -0.4336 -2.7811 0.9599 C 0 0 0
- 3.0027 1.3804 0.1012 C 0 0 0
- 4.0635 -0.6126 -0.1217 O 0 0 0
- -3.2528 1.4910 0.0808 C 0 0 0
- -3.9004 0.3280 -0.0620 C 0 0 0
- -0.7092 2.9492 0.0000 H 0 0 0
- 1.8096 3.0805 0.0000 H 0 0 0
- -1.4607 -2.8055 0.0000 H 0 0 0
- -0.4092 -3.8082 0.0000 H 0 0 0
- 0.5935 -2.7567 0.0000 H 0 0 0
- 3.8918 1.8951 0.0000 H 0 0 0
- -3.6723 2.4288 0.0000 H 0 0 0
- -4.9223 0.2217 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 2 0
- 7 17 1 0
- 8 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 15 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98600-98-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.2352 -0.2032 -0.1216 C 0 0 0
- -1.1995 -0.4717 -0.2112 C 0 0 0
- 0.6675 1.1893 0.0441 C 0 0 0
- 1.1708 -1.2267 -0.1841 C 0 0 0
- -2.0899 0.5862 -0.1364 C 0 0 0
- -1.7090 -1.8428 -0.3778 C 0 0 0
- 2.0243 1.4938 0.1330 C 0 0 0
- -0.3153 2.1994 0.1107 C 0 0 0
- 2.5300 -0.9233 -0.0947 C 0 0 0
- -1.6341 1.8913 0.0227 C 0 0 0
- -3.5684 0.3048 -0.2310 C 0 0 2
- -2.9753 -2.1108 -0.0773 C 0 0 0
- 2.9656 0.4675 0.0643 C 0 0 0
- 0.1041 3.6367 0.2818 C 0 0 0
- 3.5082 -1.9382 -0.1543 C 0 0 0
- -3.8868 -1.0310 0.4370 C 0 0 1
- -3.9567 0.2545 -1.6054 O 0 0 0
- 4.3480 0.7393 0.1507 C 0 0 0
- 4.8222 -1.6080 -0.0650 C 0 0 0
- -3.7260 -0.9064 1.8515 O 0 0 0
- 5.2373 -0.2841 0.0812 C 0 0 0
- 0.8571 -2.2221 0.0000 H 0 0 0
- -1.0273 -2.6331 0.0000 H 0 0 0
- 2.3366 2.4897 0.0000 H 0 0 0
- -2.3318 2.6675 0.0000 H 0 0 0
- -3.7331 1.3354 0.0000 H 0 0 0
- -3.3141 -3.0980 0.0000 H 0 0 0
- 1.1060 3.3443 0.0000 H 0 0 0
- 0.3965 4.6386 0.0000 H 0 0 0
- -0.8978 3.9291 0.0000 H 0 0 0
- 3.2210 -2.9416 0.0000 H 0 0 0
- -4.9021 -1.2725 0.0000 H 0 0 0
- -4.9917 0.1204 0.0000 H 0 0 0
- 4.6868 1.7265 0.0000 H 0 0 0
- 5.5386 -2.3670 0.0000 H 0 0 0
- -2.9010 -0.2671 0.0000 H 0 0 0
- 6.2590 -0.0708 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 1 0
- 18 21 2 0
- 8 10 2 0
- 9 13 2 0
- 12 16 1 0
- 19 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-150-13-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.5586 0.0198 -0.0011 C 0 0 0
- -2.0323 0.0413 -0.0006 C 0 0 0
- 0.1597 1.2198 0.0005 C 0 0 0
- 0.1245 -1.2006 0.0026 C 0 0 0
- -2.7230 -1.1159 -0.0021 O 0 0 0
- -2.6245 1.1024 0.0013 O 0 0 0
- 1.5253 1.1993 0.0004 C 0 0 0
- 1.5009 -1.2140 0.0025 C 0 0 0
- 2.2077 -0.0144 -0.0012 C 0 0 0
- 3.5977 -0.0285 -0.0017 N 0 0 0
- -0.3480 2.1313 0.0000 H 0 0 0
- -0.4076 -2.0981 0.0000 H 0 0 0
- -3.2578 -2.0118 0.0000 H 0 0 0
- 2.0589 2.0959 0.0000 H 0 0 0
- 2.0142 -2.1224 0.0000 H 0 0 0
- 4.1102 -0.9374 0.0000 H 0 0 0
- 4.1285 0.8698 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 7 9 1 0
- 9 10 1 0
- 8 9 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2243-61-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.2394 0.7083 -0.0021 C 0 0 0
- -0.2393 -0.7084 -0.0014 C 0 0 0
- 0.9886 1.4022 -0.0008 C 0 0 0
- -1.4633 1.3969 0.0017 C 0 0 0
- 0.9889 -1.4020 0.0006 C 0 0 0
- -1.4631 -1.3971 -0.0022 C 0 0 0
- 2.1715 0.6961 0.0011 C 0 0 0
- 1.0052 2.7999 -0.0020 N 0 0 0
- -2.6307 0.6966 0.0061 C 0 0 0
- 2.1716 -0.6957 0.0018 C 0 0 0
- 1.0058 -2.7998 0.0009 N 0 0 0
- -2.6306 -0.6970 -0.0036 C 0 0 0
- -1.4779 2.4451 0.0000 H 0 0 0
- -1.4776 -2.4453 0.0000 H 0 0 0
- 3.0832 1.2137 0.0000 H 0 0 0
- 1.9193 3.3133 0.0000 H 0 0 0
- 0.1036 3.3348 0.0000 H 0 0 0
- -3.5430 1.2131 0.0000 H 0 0 0
- 3.0834 -1.2131 0.0000 H 0 0 0
- 0.1043 -3.3349 0.0000 H 0 0 0
- 1.9200 -3.3130 0.0000 H 0 0 0
- -3.5428 -1.2137 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 10 2 0
- 9 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-22071-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.3977 -0.8133 -0.3381 C 0 0 0
- -0.7757 -0.8050 0.4199 C 0 0 0
- 1.6883 -1.1530 0.2958 C 0 0 0
- 0.3444 -0.5046 -1.6991 C 0 0 0
- -1.9769 -0.4874 -0.1784 C 0 0 0
- 2.8094 -0.1917 0.2502 C 0 0 0
- 1.8278 -2.2232 0.8548 O 0 0 0
- -0.8649 -0.1939 -2.2856 C 0 0 0
- -2.0216 -0.1770 -1.5265 C 0 0 0
- -3.2439 -0.4779 0.6376 C 0 0 1
- 4.0835 -0.5791 0.6723 C 0 0 0
- 2.6015 1.1067 -0.2204 C 0 0 0
- -3.8555 0.8988 0.5996 C 0 0 0
- -4.2322 -1.4912 0.0568 C 0 0 0
- 5.1253 0.3233 0.6271 C 0 0 0
- 3.6528 1.9990 -0.2601 C 0 0 0
- -4.9977 1.1443 1.2607 O 0 0 0
- -3.3178 1.7817 -0.0259 O 0 0 0
- 4.9109 1.6102 0.1649 C 0 0 0
- -0.9034 -1.7609 0.0000 H 0 0 0
- 1.0532 0.1493 0.0000 H 0 0 0
- -0.7370 0.7620 0.0000 H 0 0 0
- -2.7459 0.4598 0.0000 H 0 0 0
- -2.8726 -1.3679 0.0000 H 0 0 0
- 4.2839 -1.5224 0.0000 H 0 0 0
- 1.6970 1.4411 0.0000 H 0 0 0
- -4.9226 -0.8179 0.0000 H 0 0 0
- -4.9055 -2.1816 0.0000 H 0 0 0
- -3.5418 -2.1645 0.0000 H 0 0 0
- 6.0325 -0.0037 0.0000 H 0 0 0
- 3.4593 2.9438 0.0000 H 0 0 0
- -5.9405 1.3470 0.0000 H 0 0 0
- 5.6371 2.2447 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 2 0
- 15 19 1 0
- 8 9 2 0
- 16 19 2 0
- 2 20 1 0
- 4 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2039-87-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.3739 0.6348 0.0020 C 0 0 0
- -0.3673 -0.5484 0.0001 C 0 0 0
- 1.7682 0.5774 0.0021 C 0 0 0
- -0.3151 1.9424 -0.0024 C 0 0 0
- 0.2834 -1.7668 -0.0016 C 0 0 0
- -2.1023 -0.4884 0.0005 Cl 0 0 0
- 2.4053 -0.6462 0.0004 C 0 0 0
- 0.3916 3.0641 -0.0006 C 0 0 0
- 1.6655 -1.8155 -0.0014 C 0 0 0
- 2.3247 1.4534 0.0000 H 0 0 0
- -1.3521 1.9825 0.0000 H 0 0 0
- -0.2659 -2.6473 0.0000 H 0 0 0
- 3.4421 -0.6898 0.0000 H 0 0 0
- 1.4286 3.0240 0.0000 H 0 0 0
- -0.0922 3.9822 0.0000 H 0 0 0
- 2.1500 -2.7332 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-120388-69-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- 0.3073 -0.0831 -0.0011 C 0 0 0
- -1.0363 0.3320 -0.0005 C 0 0 0
- 1.3368 0.8746 0.0002 C 0 0 0
- 0.6159 -1.5131 0.0031 C 0 0 0
- -2.0620 -0.6359 -0.0014 C 0 0 0
- -1.3423 1.7132 0.0004 C 0 0 0
- 2.7228 0.4035 -0.0004 C 0 0 0
- 1.0099 2.2392 0.0026 C 0 0 0
- 1.9437 -1.9273 0.0021 C 0 0 0
- -0.4562 -2.4359 0.0075 C 0 0 0
- -3.4546 -0.1647 -0.0008 C 0 0 0
- -1.7447 -2.0007 -0.0024 C 0 0 0
- -0.2909 2.6467 0.0008 C 0 0 0
- -2.6907 2.1286 0.0006 C 0 0 0
- 2.9887 -0.9898 -0.0023 C 0 0 0
- 3.7876 1.3096 0.0003 C 0 0 0
- -3.7037 1.2322 0.0007 C 0 0 0
- -4.4585 -1.0285 -0.0020 N 0 0 0
- 4.3288 -1.4278 -0.0028 C 0 0 0
- 5.0723 0.8494 -0.0007 C 0 0 0
- -5.6082 -0.6260 -0.0014 O 0 0 0
- 5.3399 -0.5168 -0.0016 C 0 0 0
- 1.7801 2.9584 0.0000 H 0 0 0
- 2.1679 -2.9569 0.0000 H 0 0 0
- -0.2546 -3.4702 0.0000 H 0 0 0
- -2.5251 -2.7087 0.0000 H 0 0 0
- -0.5118 3.6770 0.0000 H 0 0 0
- -2.9132 3.1586 0.0000 H 0 0 0
- 3.5984 2.3462 0.0000 H 0 0 0
- -4.6989 1.5786 0.0000 H 0 0 0
- 4.5472 -2.4586 0.0000 H 0 0 0
- 5.8713 1.5363 0.0000 H 0 0 0
- 6.3395 -0.8503 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 18 21 2 0
- 19 22 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 17 1 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 20 32 1 0
- 22 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-114480-41-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.2518 0.1453 -0.0041 C 0 0 0
- 0.1407 -1.2487 -0.0024 C 0 0 0
- 1.5852 0.7398 -0.0018 C 0 0 0
- -0.9960 0.6506 -0.0024 N 0 0 0
- -1.2154 -1.5239 -0.0052 N 0 0 0
- 1.2862 -2.0473 0.0015 C 0 0 0
- 2.7166 -0.1112 0.0021 C 0 0 0
- 1.7720 2.1281 -0.0038 C 0 0 0
- -1.8685 -0.3272 0.0002 C 0 0 0
- -1.8335 -2.8521 -0.0051 C 0 0 0
- 2.5311 -1.5071 0.0036 C 0 0 0
- 1.1361 -3.5468 0.0038 C 0 0 0
- 3.9432 0.4198 0.0038 N 0 0 0
- 3.0542 2.6074 -0.0019 C 0 0 0
- -3.2443 -0.1690 0.0029 N 0 0 0
- 4.1247 1.7191 0.0019 C 0 0 0
- -3.7805 1.0675 0.0024 C 0 0 0
- -5.2776 1.2396 0.0053 C 0 0 0
- -3.0581 2.0416 -0.0004 O 0 0 0
- 0.9601 2.7759 0.0000 H 0 0 0
- -2.7752 -2.4139 0.0000 H 0 0 0
- -2.2717 -3.7938 0.0000 H 0 0 0
- -0.8918 -3.2903 0.0000 H 0 0 0
- 3.3600 -2.1330 0.0000 H 0 0 0
- 0.1026 -3.4433 0.0000 H 0 0 0
- 1.0326 -4.5803 0.0000 H 0 0 0
- 2.1696 -3.6503 0.0000 H 0 0 0
- 3.2273 3.6315 0.0000 H 0 0 0
- -3.8630 -1.0033 0.0000 H 0 0 0
- 5.0932 2.0944 0.0000 H 0 0 0
- -5.1590 2.2715 0.0000 H 0 0 0
- -6.3095 1.3582 0.0000 H 0 0 0
- -5.3962 0.2077 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 13 16 2 0
- 15 17 1 0
- 17 18 1 0
- 17 19 2 0
- 5 9 1 0
- 7 11 1 0
- 14 16 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-70-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.0105 -0.4649 -0.1987 C 0 0 0
- -1.1809 0.2354 -0.0257 N 0 0 0
- 1.1887 0.0995 0.1667 N 0 0 0
- -0.0383 -1.6659 -0.7043 N 0 0 0
- -2.2198 -0.2835 0.8674 C 0 0 0
- -1.3892 1.5005 -0.7345 C 0 0 0
- 2.1205 0.5698 -0.8613 C 0 0 0
- 1.5348 0.2307 1.5842 C 0 0 0
- -0.0591 -2.5666 0.0000 H 0 0 0
- -2.6224 0.5225 0.0000 H 0 0 0
- -3.0258 -0.6861 0.0000 H 0 0 0
- -1.8172 -1.0895 0.0000 H 0 0 0
- -0.5002 1.6469 0.0000 H 0 0 0
- -1.5356 2.3895 0.0000 H 0 0 0
- -2.2782 1.3541 0.0000 H 0 0 0
- 2.5265 -0.2345 0.0000 H 0 0 0
- 2.9248 0.9758 0.0000 H 0 0 0
- 1.7145 1.3741 0.0000 H 0 0 0
- 1.8542 -0.6118 0.0000 H 0 0 0
- 2.3773 0.5501 0.0000 H 0 0 0
- 1.2154 1.0732 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 1 0
- 6 2 1 0
- 7 3 1 0
- 8 3 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80734-02-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 59 1 V2000
- -1.6715 -1.8431 -1.2313 N 0 0 0
- -2.7996 -1.1877 -1.9083 C 0 0 1
- -0.6296 -0.9772 -0.6979 C 0 0 2
- -2.5406 -2.4109 -0.3613 C 0 0 0
- -3.7541 -1.6421 -0.8109 C 0 0 1
- -2.4275 0.6022 -1.7423 S 0 0 0
- -0.6527 0.4566 -1.2692 C 0 0 0
- 0.7194 -1.5982 -0.9540 C 0 0 0
- -2.3910 -3.2572 0.4944 O 0 0 0
- -3.9992 -0.5322 0.1135 N 0 0 0
- -0.2792 1.4846 -0.1994 C 0 0 0
- 0.2587 0.5799 -2.4919 C 0 0 0
- 1.7836 -1.2127 -0.2324 O 0 0 0
- 0.8431 -2.4432 -1.8087 O 0 0 0
- -5.1779 -0.4420 0.7607 C 0 0 0
- 3.1037 -1.7236 -0.5557 C 0 0 0
- -5.4300 0.6996 1.7116 C 0 0 0
- -6.0357 -1.2797 0.5779 O 0 0 0
- 4.0953 -1.2384 0.4702 C 0 0 0
- -6.0416 1.8537 0.9599 C 0 0 0
- -6.3503 0.2616 2.7695 N 0 0 0
- 4.4519 0.0519 0.6830 O 0 0 0
- 4.7641 -1.9978 1.3230 C 0 0 0
- -5.3957 3.0751 0.9241 C 0 0 0
- -7.2461 1.6891 0.3014 C 0 0 0
- 5.3551 0.0726 1.6764 C 0 0 0
- 5.5528 -1.1936 2.0771 O 0 0 0
- 4.6656 -3.4973 1.4365 C 0 0 0
- -5.9568 4.1339 0.2345 C 0 0 0
- -7.8071 2.7476 -0.3880 C 0 0 0
- 5.8952 1.0614 2.1332 O 0 0 0
- -7.1637 3.9710 -0.4191 C 0 0 0
- 15.3180 2.6968 -0.6782 Cl 0 0 0
- -3.5064 -0.6326 0.0000 H 0 0 0
- -1.4463 -0.6020 0.0000 H 0 0 0
- -4.4898 -2.1582 0.0000 H 0 0 0
- -3.4100 0.1465 0.0000 H 0 0 0
- 0.5655 1.1777 0.0000 H 0 0 0
- 0.0277 2.3293 0.0000 H 0 0 0
- -1.1239 1.7915 0.0000 H 0 0 0
- 0.3792 -0.3107 0.0000 H 0 0 0
- 1.1493 0.7004 0.0000 H 0 0 0
- 0.1382 1.4705 0.0000 H 0 0 0
- 2.5829 -2.4560 0.0000 H 0 0 0
- 3.6853 -2.4087 0.0000 H 0 0 0
- -4.5865 1.0097 0.0000 H 0 0 0
- -7.0905 0.7713 0.0000 H 0 0 0
- -6.4216 -0.6343 0.0000 H 0 0 0
- -4.4970 3.0755 0.0000 H 0 0 0
- -7.6562 0.8894 0.0000 H 0 0 0
- 3.7688 -3.4384 0.0000 H 0 0 0
- 4.6067 -4.3941 0.0000 H 0 0 0
- 5.5624 -3.5562 0.0000 H 0 0 0
- -5.5461 4.9333 0.0000 H 0 0 0
- -8.7058 2.7462 0.0000 H 0 0 0
- -7.6788 4.7074 0.0000 H 0 0 0
- 16.2167 2.6968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 2 0
- 10 15 1 0
- 13 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 17 21 1 0
- 19 22 1 0
- 19 23 2 0
- 20 24 2 0
- 20 25 1 0
- 22 26 1 0
- 23 27 1 0
- 23 28 1 0
- 24 29 1 0
- 25 30 2 0
- 26 31 2 0
- 29 32 2 0
- 4 5 1 0
- 6 7 1 0
- 26 27 1 0
- 30 32 1 0
- 2 34 1 0
- 3 35 1 0
- 5 36 1 0
- 10 37 1 0
- 11 38 1 0
- 11 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 12 43 1 0
- 16 44 1 0
- 16 45 1 0
- 17 46 1 0
- 21 47 1 0
- 21 48 1 0
- 24 49 1 0
- 25 50 1 0
- 28 51 1 0
- 28 52 1 0
- 28 53 1 0
- 29 54 1 0
- 30 55 1 0
- 32 56 1 0
- 33 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6317-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.0000 -0.5357 0.0000 C 0 0 0
- -1.4778 0.5093 0.0000 S 0 0 0
- 1.4778 0.5093 0.0000 S 0 0 0
- -3.1218 -0.2480 0.0000 C 0 0 0
- 3.1218 -0.2480 0.0000 C 0 0 0
- -4.1536 -0.7233 0.0000 N 0 0 0
- 4.1536 -0.7233 0.0000 N 0 0 0
- -0.9040 -1.5484 0.0000 H 0 0 0
- 0.9040 -1.5484 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 3 0
- 5 7 3 0
- 1 8 1 0
- 1 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-79-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.4316 0.4292 0.0031 C 0 0 0
- -0.8009 -0.9186 0.0011 C 0 0 0
- 0.9214 0.7757 0.0026 C 0 0 0
- -1.4668 1.4819 -0.0004 C 0 0 0
- 0.1732 -1.8982 -0.0014 C 0 0 0
- -2.4797 -1.3608 0.0011 Cl 0 0 0
- 1.8837 -0.2134 0.0001 C 0 0 0
- -1.1073 2.7803 0.0015 O 0 0 0
- -2.6428 1.1773 -0.0051 O 0 0 0
- 1.5105 -1.5476 -0.0019 C 0 0 0
- 3.5660 0.2152 -0.0005 Cl 0 0 0
- 1.2028 1.7759 0.0000 H 0 0 0
- -0.0998 -2.9007 0.0000 H 0 0 0
- -0.8300 3.7817 0.0000 H 0 0 0
- 2.2392 -2.2883 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-581-50-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.7117 0.0246 -0.0184 C 0 0 0
- -0.7716 -0.0008 -0.0128 C 0 0 0
- 1.4007 1.1689 -0.4294 C 0 0 0
- 1.4406 -1.0902 0.3915 C 0 0 0
- -1.4444 -1.1503 -0.4220 C 0 0 0
- -1.4463 1.0690 0.3869 N 0 0 0
- 2.7849 1.1420 -0.4164 C 0 0 0
- 2.7575 -1.0687 0.3868 N 0 0 0
- -2.8283 -1.1592 -0.4109 C 0 0 0
- -2.7636 1.0870 0.4073 C 0 0 0
- 3.4352 -0.0055 -0.0012 C 0 0 0
- -3.4948 -0.0168 0.0096 C 0 0 0
- 0.9205 2.0381 0.0000 H 0 0 0
- 0.9753 -1.9674 0.0000 H 0 0 0
- -0.9477 -2.0102 0.0000 H 0 0 0
- 3.2932 1.9951 0.0000 H 0 0 0
- -3.3201 -2.0219 0.0000 H 0 0 0
- -3.2275 1.9650 0.0000 H 0 0 0
- 4.4279 -0.0313 0.0000 H 0 0 0
- -4.4874 0.0115 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 8 11 1 0
- 10 12 2 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-82389-36-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- -0.8336 -2.6297 0.4201 C 0 0 0
- -2.0893 -2.1499 -0.3106 C 0 0 0
- 0.2538 -1.5954 0.2823 C 0 0 0
- -1.9486 -2.0598 1.1086 O 0 0 0
- -1.8264 -0.8006 -0.9282 C 0 0 0
- 0.2812 -0.5055 1.1332 C 0 0 0
- 1.2251 -1.7411 -0.6907 C 0 0 0
- -2.5321 0.3889 -0.4252 C 0 0 0
- -1.0335 -0.6950 -1.8394 O 0 0 0
- 1.2762 0.4440 1.0096 C 0 0 0
- 2.2232 -0.7949 -0.8196 C 0 0 0
- -2.3578 1.6271 -1.0521 C 0 0 0
- -3.3847 0.2860 0.6783 C 0 0 0
- 2.2502 0.3035 0.0295 C 0 0 0
- -3.0223 2.7367 -0.5750 C 0 0 0
- -4.0424 1.4053 1.1436 C 0 0 0
- 3.2598 1.2638 -0.0984 N 0 0 0
- -3.8603 2.6279 0.5215 C 0 0 0
- 4.5453 0.9236 0.1216 C 0 0 0
- 5.6210 1.9783 0.0833 C 0 0 0
- 4.8362 -0.2314 0.3505 O 0 0 0
- -0.6491 -3.5506 0.0000 H 0 0 0
- -2.9105 -2.6057 0.0000 H 0 0 0
- -0.5775 -0.1252 0.0000 H 0 0 0
- 1.5070 -2.6369 0.0000 H 0 0 0
- 0.9903 1.3386 0.0000 H 0 0 0
- 3.0814 -1.1764 0.0000 H 0 0 0
- -1.4373 1.8136 0.0000 H 0 0 0
- -3.8014 -0.5556 0.0000 H 0 0 0
- -2.6129 3.5819 0.0000 H 0 0 0
- -4.9643 1.2264 0.0000 H 0 0 0
- 3.0267 2.1736 0.0000 H 0 0 0
- -4.5181 3.2982 0.0000 H 0 0 0
- 6.2785 1.3077 0.0000 H 0 0 0
- 6.2916 2.6358 0.0000 H 0 0 0
- 4.9635 2.6489 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 17 19 1 0
- 19 20 1 0
- 19 21 2 0
- 2 4 1 0
- 11 14 2 0
- 16 18 2 0
- 1 22 1 0
- 2 23 1 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
- 20 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- 0.8989 0.5257 -0.1146 C 0 0 0
- -0.2985 -0.3783 -0.4146 C 0 0 0
- 2.1623 -0.0808 -0.7285 C 0 0 0
- 0.6547 1.9116 -0.7152 C 0 0 0
- -1.4975 0.1973 0.1680 O 0 0 0
- 3.1699 -0.3907 0.3804 C 0 0 0
- 0.7566 2.9695 0.3854 C 0 0 0
- -2.6822 -0.4307 0.0300 C 0 0 0
- 4.4730 -0.8966 -0.2415 C 0 0 0
- -3.8957 0.1518 0.6196 C 0 0 0
- -2.7468 -1.4787 -0.5821 O 0 0 0
- 5.4807 -1.2065 0.8673 C 0 0 0
- -5.0653 -0.4682 0.4834 C 0 0 0
- 1.6969 1.1309 0.0000 H 0 0 0
- -0.8693 -1.2013 0.0000 H 0 0 0
- 0.4238 -1.0721 0.0000 H 0 0 0
- 1.3646 -0.6864 0.0000 H 0 0 0
- 2.3372 -1.0670 0.0000 H 0 0 0
- -0.2097 2.4175 0.0000 H 0 0 0
- -0.1675 1.3396 0.0000 H 0 0 0
- 3.9354 0.2552 0.0000 H 0 0 0
- 2.9697 0.5907 0.0000 H 0 0 0
- 1.7536 2.8735 0.0000 H 0 0 0
- 0.8526 3.9665 0.0000 H 0 0 0
- -0.2404 3.0655 0.0000 H 0 0 0
- 3.7075 -1.5425 0.0000 H 0 0 0
- 4.6732 -1.8780 0.0000 H 0 0 0
- -3.9157 1.1532 0.0000 H 0 0 0
- 5.1863 -2.1638 0.0000 H 0 0 0
- 6.4380 -1.5009 0.0000 H 0 0 0
- 5.7751 -0.2492 0.0000 H 0 0 0
- -5.9140 0.0636 0.0000 H 0 0 0
- -5.1015 -1.4691 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59230-81-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.2824 -0.8548 -0.2240 C 0 0 0
- 0.3203 -2.1164 0.2101 C 0 0 0
- 0.5151 0.2312 -0.5435 C 0 0 0
- -1.7476 -0.7661 -0.3067 C 0 0 0
- 1.7022 -2.2334 0.3056 C 0 0 0
- -0.5476 -3.2456 0.5405 C 0 0 0
- 1.9057 0.1193 -0.4498 C 0 0 0
- -0.1124 1.5266 -0.9901 C 0 0 0
- -2.5267 -1.8919 0.0324 C 0 0 0
- -2.3732 0.4133 -0.7143 C 0 0 0
- 2.5120 -1.1410 -0.0148 C 0 0 0
- 2.3234 -3.5315 0.7529 C 0 0 0
- -1.8864 -3.1354 0.4496 C 0 0 0
- 2.7478 1.2037 -0.7668 C 0 0 0
- -0.4585 2.6618 0.5773 Br 0 0 0
- -3.9238 -1.8053 -0.0471 C 0 0 0
- -3.7471 0.4673 -0.7818 C 0 0 0
- 3.9168 -1.2236 0.0700 C 0 0 0
- 4.0950 1.0585 -0.6640 C 0 0 0
- -4.5135 -0.6422 -0.4485 C 0 0 0
- 4.6724 -0.1407 -0.2500 C 0 0 0
- -0.1305 -4.1879 0.0000 H 0 0 0
- -1.1270 1.7070 0.0000 H 0 0 0
- -0.7342 0.7049 0.0000 H 0 0 0
- -1.8248 1.2857 0.0000 H 0 0 0
- 1.3939 -3.9763 0.0000 H 0 0 0
- 2.7682 -4.4610 0.0000 H 0 0 0
- 3.2529 -3.0867 0.0000 H 0 0 0
- -2.4586 -3.9924 0.0000 H 0 0 0
- 2.3450 2.1522 0.0000 H 0 0 0
- -4.4900 -2.6663 0.0000 H 0 0 0
- -4.2078 1.3891 0.0000 H 0 0 0
- 4.3663 -2.1508 0.0000 H 0 0 0
- 4.6893 1.9003 0.0000 H 0 0 0
- -5.5416 -0.5726 0.0000 H 0 0 0
- 5.6996 -0.2233 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 14 19 2 0
- 16 20 2 0
- 18 21 2 0
- 7 11 2 0
- 9 13 1 0
- 17 20 1 0
- 19 21 1 0
- 6 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 3.1337 0.0006 -0.0012 C 0 0 0
- 1.7957 0.6940 -0.0001 C 0 0 0
- 4.2645 0.7238 -0.0006 O 0 0 0
- 3.1886 -1.2064 0.0023 O 0 0 0
- 0.6792 -0.3520 -0.0012 C 0 0 0
- -0.6792 0.3520 0.0000 C 0 0 0
- -1.7957 -0.6940 -0.0011 C 0 0 0
- -3.1337 -0.0006 0.0001 C 0 0 0
- -4.2645 -0.7238 -0.0006 O 0 0 0
- -3.1886 1.2064 0.0016 O 0 0 0
- 2.4259 1.6323 0.0000 H 0 0 0
- 0.9347 1.4262 0.0000 H 0 0 0
- 5.2167 1.3328 0.0000 H 0 0 0
- 0.0490 -1.2903 0.0000 H 0 0 0
- 1.5402 -1.0842 0.0000 H 0 0 0
- -0.0490 1.2903 0.0000 H 0 0 0
- -1.5402 1.0842 0.0000 H 0 0 0
- -2.4259 -1.6323 0.0000 H 0 0 0
- -0.9347 -1.4262 0.0000 H 0 0 0
- -5.2167 -1.3328 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 2 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 9 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-73-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.2027 -0.2953 0.0061 C 0 0 0
- 0.6160 -1.4293 0.0059 C 0 0 0
- 0.3773 0.9779 0.0037 C 0 0 0
- -1.6666 -0.4406 0.0027 C 0 0 0
- 1.9870 -1.2854 0.0033 C 0 0 0
- 1.7494 1.1062 0.0011 C 0 0 0
- -2.5453 0.7838 0.0030 C 0 0 0
- -2.1663 -1.5454 -0.0002 O 0 0 0
- 2.5541 -0.0218 0.0009 C 0 0 0
- -4.4333 0.2354 -0.0020 Br 0 0 0
- 4.4358 0.1650 -0.0020 Br 0 0 0
- 0.1878 -2.3869 0.0000 H 0 0 0
- -0.2307 1.8327 0.0000 H 0 0 0
- 2.6023 -2.1350 0.0000 H 0 0 0
- 2.1857 2.0602 0.0000 H 0 0 0
- -1.6294 1.2952 0.0000 H 0 0 0
- -2.9499 1.7516 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27032-78-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -2.2059 0.9556 -0.0003 O 0 0 0
- -1.1805 0.3031 -0.0013 C 0 0 0
- 0.0000 0.9382 0.0001 N 0 0 0
- -1.2562 -1.0437 0.0018 N 0 0 0
- 1.1805 0.3031 -0.0004 C 0 0 0
- 0.0000 -1.8118 0.0010 C 0 0 0
- 2.2059 0.9556 0.0014 O 0 0 0
- 1.2562 -1.0437 -0.0024 N 0 0 0
- 0.0000 1.9467 0.0000 H 0 0 0
- -2.1494 -1.5120 0.0000 H 0 0 0
- -0.6547 -2.5789 0.0000 H 0 0 0
- 0.6547 -2.5789 0.0000 H 0 0 0
- 2.1494 -1.5120 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 5 1 0
- 6 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 8 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5623-11-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 0.8431 -0.1185 0.0719 C 0 0 0
- -0.3831 0.4861 0.3937 C 0 0 0
- 1.9732 0.6864 -0.1512 C 0 0 0
- 0.9449 -1.5814 -0.0248 C 0 0 0
- -0.4655 1.8670 0.4876 C 0 0 0
- -1.5118 -0.2985 0.6180 N 0 0 0
- 1.8653 2.0664 -0.0513 C 0 0 0
- 3.1925 0.1035 -0.4697 N 0 0 0
- 1.2616 -2.3085 1.0653 O 0 0 0
- 0.7436 -2.1358 -1.0878 O 0 0 0
- 0.6531 2.6488 0.2660 C 0 0 0
- -2.6409 -0.0704 -0.0817 C 0 0 0
- -3.8994 -0.8301 0.2501 C 0 0 0
- -2.6442 0.7462 -0.9783 O 0 0 0
- -1.3877 2.3132 0.0000 H 0 0 0
- -1.3042 -1.3017 0.0000 H 0 0 0
- 2.7105 2.6452 0.0000 H 0 0 0
- 3.2720 -0.9179 0.0000 H 0 0 0
- 4.0373 0.6830 0.0000 H 0 0 0
- 1.6707 -3.2477 0.0000 H 0 0 0
- 0.5702 3.6699 0.0000 H 0 0 0
- -4.4288 0.0469 0.0000 H 0 0 0
- -4.7764 -1.3595 0.0000 H 0 0 0
- -3.3700 -1.7071 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 12 13 1 0
- 12 14 2 0
- 7 11 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4436-24-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.3843 -0.1627 0.3890 C 0 0 0
- -1.0533 -0.3609 0.7953 C 0 0 0
- 0.9216 1.1101 0.3479 C 0 0 0
- 1.1673 -1.2545 0.0629 C 0 0 0
- -1.9468 -0.3007 -0.4452 C 0 0 0
- 2.2405 1.2920 -0.0250 C 0 0 0
- 2.4858 -1.0726 -0.3098 C 0 0 0
- -3.4063 -0.5020 -0.0327 C 0 0 0
- -2.8634 0.7884 -0.3196 O 0 0 0
- 3.0216 0.2010 -0.3565 C 0 0 0
- -1.5707 -1.2587 0.0000 H 0 0 0
- -0.4747 -1.2204 0.0000 H 0 0 0
- 0.2911 1.9323 0.0000 H 0 0 0
- 0.7583 -2.2065 0.0000 H 0 0 0
- -1.9107 -1.3362 0.0000 H 0 0 0
- 2.6499 2.2439 0.0000 H 0 0 0
- 3.1169 -1.8944 0.0000 H 0 0 0
- -4.4175 -0.2761 0.0000 H 0 0 0
- -3.4492 -1.5373 0.0000 H 0 0 0
- 4.0513 0.3164 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 10 1 0
- 8 9 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-11-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 55 1 V2000
- 1.6930 -0.3089 -0.0034 C 0 0 0
- 0.4248 0.5470 0.0060 C 0 0 0
- 2.9226 0.6015 0.0066 C 0 0 0
- -0.8049 -0.3633 -0.0040 C 0 0 0
- 4.1908 -0.2544 -0.0028 C 0 0 0
- -2.0731 0.4925 0.0054 C 0 0 0
- 5.4205 0.6559 0.0072 C 0 0 0
- -3.3028 -0.4178 -0.0046 C 0 0 0
- 6.6887 -0.1999 -0.0022 C 0 0 0
- -4.5710 0.4380 0.0048 C 0 0 0
- 7.9184 0.7104 0.0078 C 0 0 0
- -5.8006 -0.4723 -0.0052 C 0 0 0
- 9.1675 -0.1326 -0.0014 C 0 0 0
- -7.0688 0.3836 0.0042 C 0 0 0
- 10.3741 0.4555 0.0050 O 0 0 0
- 9.0829 -1.3378 -0.0146 O 0 0 0
- -8.2985 -0.5268 -0.0058 C 0 0 0
- -9.5667 0.3291 0.0036 C 0 0 0
- -10.7964 -0.5813 -0.0064 C 0 0 0
- -12.0646 0.2746 0.0030 C 0 0 0
- 0.9477 -1.1814 0.0000 H 0 0 0
- 2.4757 -1.1480 0.0000 H 0 0 0
- 1.1701 1.4195 0.0000 H 0 0 0
- -0.3578 1.3862 0.0000 H 0 0 0
- 3.6679 1.4740 0.0000 H 0 0 0
- 2.1399 1.4406 0.0000 H 0 0 0
- -1.5502 -1.2358 0.0000 H 0 0 0
- -0.0223 -1.2025 0.0000 H 0 0 0
- 3.4455 -1.1269 0.0000 H 0 0 0
- 4.9734 -1.0936 0.0000 H 0 0 0
- -1.3278 1.3650 0.0000 H 0 0 0
- -2.8557 1.3317 0.0000 H 0 0 0
- 6.1658 1.5284 0.0000 H 0 0 0
- 4.6379 1.4951 0.0000 H 0 0 0
- -4.0481 -1.2903 0.0000 H 0 0 0
- -2.5202 -1.2570 0.0000 H 0 0 0
- 5.9434 -1.0724 0.0000 H 0 0 0
- 7.4713 -1.0391 0.0000 H 0 0 0
- -3.8257 1.3105 0.0000 H 0 0 0
- -5.3536 1.2771 0.0000 H 0 0 0
- 8.6637 1.5829 0.0000 H 0 0 0
- 7.1358 1.5496 0.0000 H 0 0 0
- -6.5459 -1.3448 0.0000 H 0 0 0
- -5.0180 -1.3115 0.0000 H 0 0 0
- -6.3235 1.2561 0.0000 H 0 0 0
- -7.8514 1.2228 0.0000 H 0 0 0
- 11.4056 0.9582 0.0000 H 0 0 0
- -9.0438 -1.3993 0.0000 H 0 0 0
- -7.5159 -1.3660 0.0000 H 0 0 0
- -8.8214 1.2016 0.0000 H 0 0 0
- -10.3493 1.1683 0.0000 H 0 0 0
- -11.5417 -1.4538 0.0000 H 0 0 0
- -10.0138 -1.4205 0.0000 H 0 0 0
- -11.4227 1.2257 0.0000 H 0 0 0
- -13.0157 0.9165 0.0000 H 0 0 0
- -12.7065 -0.6765 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 1 21 1 0
- 1 22 1 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 11 41 1 0
- 11 42 1 0
- 12 43 1 0
- 12 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 17 48 1 0
- 17 49 1 0
- 18 50 1 0
- 18 51 1 0
- 19 52 1 0
- 19 53 1 0
- 20 54 1 0
- 20 55 1 0
- 20 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.0234 0.6878 0.0329 C 0 0 0
- 0.0234 -0.6876 -0.0337 C 0 0 0
- 1.2299 1.3749 0.0622 C 0 0 0
- -1.2462 1.4967 0.0843 C 0 0 0
- 1.2298 -1.3748 -0.0623 C 0 0 0
- -1.2461 -1.4967 -0.0850 C 0 0 0
- 2.4275 0.6904 0.0309 C 0 0 0
- -2.4348 0.6614 -0.3869 C 0 0 0
- 2.4275 -0.6905 -0.0302 C 0 0 0
- -2.4343 -0.6616 0.3879 C 0 0 0
- 1.2307 2.4162 0.0000 H 0 0 0
- -0.5773 2.2947 0.0000 H 0 0 0
- -1.9506 2.2636 0.0000 H 0 0 0
- 1.2305 -2.4161 0.0000 H 0 0 0
- -1.9504 -2.2636 0.0000 H 0 0 0
- -0.5771 -2.2947 0.0000 H 0 0 0
- 3.3282 1.2130 0.0000 H 0 0 0
- -2.8484 1.6170 0.0000 H 0 0 0
- -3.4544 0.4500 0.0000 H 0 0 0
- 3.3281 -1.2132 0.0000 H 0 0 0
- -3.4540 -0.4507 0.0000 H 0 0 0
- -2.8477 -1.6173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 9 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4097-53-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.9443 0.0008 -0.0033 C 0 0 0
- -2.4279 0.0016 -0.0024 C 0 0 0
- -0.2455 1.2043 -0.0775 C 0 0 0
- -0.2466 -1.2034 0.0761 C 0 0 0
- -3.1283 -0.9707 -0.7142 C 0 0 0
- -3.1262 0.9710 0.7146 C 0 0 0
- 1.1337 1.2004 -0.0776 C 0 0 0
- 1.1323 -1.2010 0.0756 C 0 0 0
- -4.5082 -0.9654 -0.7095 C 0 0 0
- -4.5066 0.9667 0.7123 C 0 0 0
- 1.8258 -0.0006 -0.0038 C 0 0 0
- 1.8767 2.4782 -0.1570 N 0 3 0
- 1.8739 -2.4792 0.1598 N 0 3 0
- -5.1964 0.0026 -0.0001 C 0 0 0
- 3.1845 -0.0014 -0.0046 O 0 0 0
- 1.5167 3.4341 0.5064 O 0 0 0
- 2.8480 2.5736 -0.8857 O 0 5 0
- 1.5145 -3.4366 -0.5019 O 0 0 0
- 2.8436 -2.5737 0.8907 O 0 5 0
- -0.7603 2.1014 0.0000 H 0 0 0
- -0.7623 -2.1000 0.0000 H 0 0 0
- -2.6586 -1.8922 0.0000 H 0 0 0
- -2.6562 1.8923 0.0000 H 0 0 0
- -4.9843 -1.8836 0.0000 H 0 0 0
- -4.9809 1.8858 0.0000 H 0 0 0
- -6.2307 0.0042 0.0000 H 0 0 0
- 4.2188 -0.0020 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 13 18 2 0
- 13 19 1 0
- 8 11 1 0
- 10 14 2 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5776-38-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -2.4059 1.1970 -0.1656 C 0 0 0
- -3.2194 0.1731 0.3593 C 0 0 0
- -1.0938 0.8932 -0.6112 C 0 0 0
- -2.8976 2.5089 -0.2377 C 0 0 0
- -2.7497 -1.1165 0.4423 N 0 3 0
- -4.5073 0.4817 0.7945 C 0 0 0
- -0.6345 -0.4453 -0.5147 C 0 0 0
- -0.2910 1.8676 -1.1222 N 0 0 0
- -4.1594 2.7853 0.2002 C 0 0 0
- -1.4823 -1.4376 0.0174 C 0 0 0
- -3.6131 -2.1645 0.9923 C 0 0 0
- -4.9686 1.7757 0.7079 C 0 0 0
- 0.6557 -0.7894 -0.9446 C 0 0 0
- -1.0215 -2.7501 0.1086 C 0 0 0
- 1.0816 -2.0813 -0.8456 C 0 0 0
- 0.2492 -3.0619 -0.3189 C 0 0 0
- 10.6935 0.6908 0.4239 Cl 0 0 0
- -2.2445 3.2627 0.0000 H 0 0 0
- -5.1737 -0.2603 0.0000 H 0 0 0
- 0.6927 1.7032 0.0000 H 0 0 0
- -0.6405 2.8017 0.0000 H 0 0 0
- -4.4918 3.7257 0.0000 H 0 0 0
- -4.3829 -1.5303 0.0000 H 0 0 0
- -4.2473 -2.9343 0.0000 H 0 0 0
- -2.8433 -2.7987 0.0000 H 0 0 0
- -5.9522 1.9411 0.0000 H 0 0 0
- 1.3403 -0.0641 0.0000 H 0 0 0
- -1.6917 -3.4887 0.0000 H 0 0 0
- 2.0605 -2.2723 0.0000 H 0 0 0
- 0.5565 -4.0108 0.0000 H 0 0 0
- 11.6909 0.6908 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 2 0
- 14 16 2 0
- 7 10 1 0
- 9 12 1 0
- 15 16 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-610-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.8786 0.0757 -0.0029 C 0 0 0
- -0.4700 0.4001 -0.0010 C 0 0 0
- 1.8292 1.0784 -0.0021 C 0 0 0
- 1.2990 -1.3434 0.0003 N 0 3 0
- -0.8609 1.7314 0.0017 C 0 0 0
- -1.4069 -0.5844 -0.0023 O 0 0 0
- 1.4371 2.4041 0.0006 C 0 0 0
- 2.4834 -1.6277 -0.0013 O 0 0 0
- 0.4606 -2.2269 0.0047 O 0 5 0
- 0.0932 2.7301 0.0025 C 0 0 0
- -2.6826 0.0595 0.0003 C 0 0 0
- -3.7878 -0.9985 -0.0010 C 0 0 0
- 2.8376 0.8364 0.0000 H 0 0 0
- -1.8686 1.9764 0.0000 H 0 0 0
- 2.1520 3.1553 0.0000 H 0 0 0
- -0.1985 3.7252 0.0000 H 0 0 0
- -2.1137 0.9265 0.0000 H 0 0 0
- -3.4798 0.7227 0.0000 H 0 0 0
- -4.5049 -0.2494 0.0000 H 0 0 0
- -4.5369 -1.7156 0.0000 H 0 0 0
- -3.0707 -1.7476 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 11 12 1 0
- 7 10 1 0
- 3 13 1 0
- 5 14 1 0
- 7 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91540-29-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 44 1 V2000
- 0.0494 1.0694 1.1304 C 0 0 0
- -0.3078 -0.4232 1.1959 C 0 0 0
- -0.8624 0.4545 0.1566 N 0 0 0
- 1.3321 1.4603 0.4357 C 0 0 0
- 0.6453 -1.4076 0.5609 C 0 0 0
- -2.2264 0.7995 0.5791 C 0 0 0
- 2.1508 0.4843 -0.1211 C 0 0 0
- 1.6857 2.7925 0.3581 C 0 0 0
- 1.8051 -0.9569 -0.0592 C 0 0 0
- 0.3565 -2.7570 0.6002 C 0 0 0
- -3.2329 0.1871 -0.3970 C 0 0 0
- 3.3337 0.8675 -0.7593 C 0 0 0
- 2.8578 3.1638 -0.2751 C 0 0 0
- 2.6735 -1.8847 -0.6409 C 0 0 0
- 1.2208 -3.6690 0.0223 C 0 0 0
- -4.6535 0.5465 0.0431 C 0 0 0
- 3.6792 2.2001 -0.8323 C 0 0 0
- 2.3773 -3.2303 -0.5973 C 0 0 0
- -5.6600 -0.0659 -0.9331 C 0 0 0
- -7.0806 0.2934 -0.4930 C 0 0 0
- -0.3615 1.9320 0.0000 H 0 0 0
- -1.0588 -1.0138 0.0000 H 0 0 0
- -1.7629 1.6350 0.0000 H 0 0 0
- -2.9154 1.4614 0.0000 H 0 0 0
- 0.9943 3.4519 0.0000 H 0 0 0
- -0.5633 -3.0154 0.0000 H 0 0 0
- -3.6965 -0.6483 0.0000 H 0 0 0
- -2.5439 -0.4748 0.0000 H 0 0 0
- 4.0291 0.2123 0.0000 H 0 0 0
- 3.1210 4.0823 0.0000 H 0 0 0
- 3.5949 -1.6318 0.0000 H 0 0 0
- 1.0078 -4.6004 0.0000 H 0 0 0
- -4.1899 1.3819 0.0000 H 0 0 0
- -5.3425 1.2084 0.0000 H 0 0 0
- 4.6103 2.4143 0.0000 H 0 0 0
- 3.1003 -3.8549 0.0000 H 0 0 0
- -6.1235 -0.9014 0.0000 H 0 0 0
- -4.9710 -0.7278 0.0000 H 0 0 0
- -6.8463 1.2197 0.0000 H 0 0 0
- -8.0069 0.5277 0.0000 H 0 0 0
- -7.3149 -0.6329 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 2 0
- 14 18 2 0
- 16 19 1 0
- 19 20 1 0
- 2 3 1 0
- 7 9 1 0
- 13 17 1 0
- 15 18 1 0
- 1 21 1 0
- 2 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10540-29-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 59 1 V2000
- -1.9961 0.1877 0.1689 C 0 0 0
- -2.4203 -1.0751 0.4208 C 0 0 0
- -0.5536 0.4610 -0.0131 C 0 0 0
- -2.9766 1.2917 0.0700 C 0 0 0
- -1.5312 -2.2160 0.1555 C 0 0 0
- -3.8029 -1.3095 0.9726 C 0 0 0
- -0.0402 0.6871 -1.2911 C 0 0 0
- 0.2966 0.4991 1.0937 C 0 0 0
- -3.2433 2.0935 1.1804 C 0 0 0
- -3.6342 1.5390 -1.1359 C 0 0 0
- -0.8589 -2.8436 1.2097 C 0 0 0
- -1.3579 -2.6832 -1.1515 C 0 0 0
- -4.7367 -1.7438 -0.1589 C 0 0 0
- 1.3046 0.9414 -1.4567 C 0 0 0
- 1.6398 0.7539 0.9200 C 0 0 0
- -4.1586 3.1212 1.0816 C 0 0 0
- -4.5471 2.5696 -1.2215 C 0 0 0
- -0.0276 -3.9129 0.9527 C 0 0 0
- -0.5228 -3.7539 -1.3918 C 0 0 0
- 2.1480 0.9727 -0.3540 C 0 0 0
- -4.8113 3.3575 -0.1150 C 0 0 0
- 0.1428 -4.3659 -0.3442 C 0 0 0
- 3.4728 1.2232 -0.5212 O 0 0 0
- 4.0667 1.1899 0.7781 C 0 0 0
- 5.5669 1.4659 0.6604 C 0 0 0
- 6.2194 0.3419 -0.0244 N 0 0 0
- 6.9125 0.9036 -1.1915 C 0 0 0
- 7.2597 -0.1591 0.8837 C 0 0 0
- -3.5871 -0.5192 0.0000 H 0 0 0
- -4.4289 -0.7811 0.0000 H 0 0 0
- -0.2830 1.4695 0.0000 H 0 0 0
- 0.3915 -0.3146 0.0000 H 0 0 0
- -2.5342 2.5036 0.0000 H 0 0 0
- -4.0986 0.8642 0.0000 H 0 0 0
- -0.2541 -2.2910 0.0000 H 0 0 0
- -2.0733 -3.0823 0.0000 H 0 0 0
- -5.0822 -1.0010 0.0000 H 0 0 0
- -5.4795 -2.0893 0.0000 H 0 0 0
- -4.3912 -2.4866 0.0000 H 0 0 0
- 1.2130 1.7555 0.0000 H 0 0 0
- 1.8795 -0.0294 0.0000 H 0 0 0
- -3.6993 3.7995 0.0000 H 0 0 0
- -5.2563 2.1596 0.0000 H 0 0 0
- 0.6872 -3.5128 0.0000 H 0 0 0
- -1.1251 -4.3092 0.0000 H 0 0 0
- -5.3836 3.9436 0.0000 H 0 0 0
- 0.6010 -5.0450 0.0000 H 0 0 0
- 3.6737 0.4711 0.0000 H 0 0 0
- 4.5468 0.5262 0.0000 H 0 0 0
- 6.3178 1.7934 0.0000 H 0 0 0
- 5.3275 2.2493 0.0000 H 0 0 0
- 7.4283 0.2672 0.0000 H 0 0 0
- 7.5489 1.4194 0.0000 H 0 0 0
- 6.3967 1.5400 0.0000 H 0 0 0
- 6.9043 -0.8972 0.0000 H 0 0 0
- 7.9978 -0.5145 0.0000 H 0 0 0
- 7.6151 0.5790 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 2 0
- 12 19 1 0
- 14 20 2 0
- 16 21 2 0
- 18 22 1 0
- 20 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 1 0
- 15 20 1 0
- 17 21 1 0
- 19 22 2 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 16 42 1 0
- 17 43 1 0
- 18 44 1 0
- 19 45 1 0
- 21 46 1 0
- 22 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 27 52 1 0
- 27 53 1 0
- 27 54 1 0
- 28 55 1 0
- 28 56 1 0
- 28 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18031-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -1.1688 -0.0481 0.3954 C 0 0 1
- -0.4305 -1.0863 -0.4582 C 0 0 0
- -0.6516 1.3432 0.0238 C 0 0 0
- -2.6472 -0.1260 0.1140 C 0 0 0
- 1.0352 -1.1218 -0.0207 C 0 0 0
- 0.8491 1.3597 0.0477 C 0 0 0
- -3.1625 0.1169 -1.2812 C 0 0 0
- -3.4844 -0.4050 1.0822 C 0 0 0
- 1.5948 0.2703 0.0240 C 0 0 0
- 3.0487 0.4290 0.0429 C 0 0 0
- 3.7660 -0.5493 0.0226 O 0 0 0
- -0.0813 0.0953 0.0000 H 0 0 0
- -1.4391 -1.5175 0.0000 H 0 0 0
- -0.2234 -2.1635 0.0000 H 0 0 0
- -0.5298 2.4333 0.0000 H 0 0 0
- -1.7187 1.5971 0.0000 H 0 0 0
- 0.8783 -2.2074 0.0000 H 0 0 0
- 2.0944 -1.4068 0.0000 H 0 0 0
- 1.3554 2.3328 0.0000 H 0 0 0
- -2.6948 1.1091 0.0000 H 0 0 0
- -4.1547 0.5846 0.0000 H 0 0 0
- -3.6302 -0.8753 0.0000 H 0 0 0
- -4.3051 0.3228 0.0000 H 0 0 0
- -3.7044 -1.4796 0.0000 H 0 0 0
- 3.4907 1.4329 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 1 0
- 10 11 2 0
- 6 9 2 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33942-93-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.6120 -0.0273 -0.0017 C 0 0 0
- -2.0450 -0.3627 -0.0016 C 0 0 0
- -0.2331 1.3402 0.0005 C 0 0 0
- 0.2921 -0.9945 0.0017 N 0 0 0
- -3.0002 0.6747 0.0007 C 0 0 0
- -2.4691 -1.6933 -0.0034 C 0 0 0
- 1.1180 1.6900 0.0004 C 0 0 0
- -1.2562 2.3835 0.0032 C 0 0 0
- 1.5959 -0.7310 0.0018 C 0 0 0
- -2.5661 2.0688 0.0024 C 0 0 0
- -4.3641 0.3531 0.0008 C 0 0 0
- -3.8157 -1.9782 -0.0027 C 0 0 0
- 2.0626 0.6583 -0.0021 C 0 0 0
- 2.5558 -1.7616 0.0062 C 0 0 0
- -4.7548 -0.9546 -0.0013 C 0 0 0
- 3.4456 0.9166 -0.0023 C 0 0 0
- 3.8782 -1.4472 0.0069 C 0 0 0
- 4.3195 -0.1253 -0.0047 C 0 0 0
- 5.8000 0.1561 -0.0049 C 0 0 0
- -1.7659 -2.4707 0.0000 H 0 0 0
- 1.4158 2.6951 0.0000 H 0 0 0
- -0.9668 3.3910 0.0000 H 0 0 0
- -3.2824 2.8341 0.0000 H 0 0 0
- -5.0832 1.1158 0.0000 H 0 0 0
- -4.1354 -2.9765 0.0000 H 0 0 0
- 2.2523 -2.7650 0.0000 H 0 0 0
- -5.7764 -1.1895 0.0000 H 0 0 0
- 3.7992 1.9034 0.0000 H 0 0 0
- 4.5858 -2.2206 0.0000 H 0 0 0
- 5.9957 -0.8737 0.0000 H 0 0 0
- 6.8298 0.3518 0.0000 H 0 0 0
- 5.6043 1.1859 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 18 19 1 0
- 8 10 2 0
- 9 13 1 0
- 12 15 1 0
- 17 18 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 19 30 1 0
- 19 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-920-66-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 1.2492 -0.1056 -0.0583 C 0 0 0
- 0.0000 0.5725 -0.6245 C 0 0 0
- 1.2492 0.0065 1.3362 F 0 0 0
- 1.2492 -1.4577 -0.4175 F 0 0 0
- 2.3915 0.5144 -0.5760 F 0 0 0
- -1.2492 -0.1056 -0.0583 C 0 0 0
- 0.0000 1.9536 -0.2576 O 0 0 0
- -2.3915 0.5144 -0.5760 F 0 0 0
- -1.2492 -1.4577 -0.4175 F 0 0 0
- -1.2492 0.0065 1.3362 F 0 0 0
- 0.0000 -0.4416 0.0000 H 0 0 0
- 0.0000 2.9677 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 6 8 1 0
- 6 9 1 0
- 6 10 1 0
- 2 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22349-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.4166 -0.3938 -0.0021 C 0 0 0
- -1.0372 -0.2061 -0.0014 C 0 0 0
- 1.2483 0.7486 -0.0006 C 0 0 0
- 0.9896 -1.6669 0.0014 C 0 0 0
- -1.5515 1.1100 0.0009 C 0 0 0
- -1.9147 -1.2920 -0.0034 C 0 0 0
- 0.6715 2.0400 0.0022 C 0 0 0
- 2.6403 0.5806 -0.0013 C 0 0 0
- 2.3491 -1.7973 0.0011 C 0 0 0
- 0.1118 -2.8919 0.0061 C 0 0 0
- -0.6657 2.2126 0.0019 C 0 0 0
- -2.9406 1.3010 0.0016 C 0 0 0
- -3.2628 -1.0729 -0.0031 C 0 0 0
- 3.1706 -0.6761 -0.0034 C 0 0 0
- 3.5473 1.7841 -0.0001 C 0 0 0
- -3.7726 0.2202 0.0001 C 0 0 0
- -1.5401 -2.2722 0.0000 H 0 0 0
- 1.2978 2.8820 0.0000 H 0 0 0
- 2.7783 -2.7548 0.0000 H 0 0 0
- -0.7412 -2.2807 0.0000 H 0 0 0
- -0.4994 -3.7449 0.0000 H 0 0 0
- 0.9648 -3.5031 0.0000 H 0 0 0
- -1.0577 3.1860 0.0000 H 0 0 0
- -3.3386 2.2719 0.0000 H 0 0 0
- -3.9211 -1.8900 0.0000 H 0 0 0
- 4.2128 -0.7981 0.0000 H 0 0 0
- 4.3853 1.1525 0.0000 H 0 0 0
- 4.1789 2.6221 0.0000 H 0 0 0
- 2.7093 2.4157 0.0000 H 0 0 0
- -4.8116 0.3669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 8 14 2 0
- 8 15 1 0
- 12 16 2 0
- 7 11 2 0
- 9 14 1 0
- 13 16 1 0
- 6 17 1 0
- 7 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-590-86-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.1489 -0.5443 -0.4817 C 0 0 0
- -1.0372 -0.0372 0.3410 C 0 0 0
- 1.3548 0.3172 -0.2082 C 0 0 0
- -1.3457 1.4101 -0.0476 C 0 0 0
- -2.2615 -0.9118 0.0634 C 0 0 0
- 2.3575 -0.1756 0.2501 O 0 0 0
- -0.4650 -1.4689 0.0000 H 0 0 0
- 0.9470 -1.3156 0.0000 H 0 0 0
- -0.1801 0.6679 0.0000 H 0 0 0
- 1.2642 1.4234 0.0000 H 0 0 0
- -0.2602 1.6415 0.0000 H 0 0 0
- -1.5771 2.4956 0.0000 H 0 0 0
- -2.4312 1.1787 0.0000 H 0 0 0
- -2.9066 -0.0087 0.0000 H 0 0 0
- -3.1646 -1.5569 0.0000 H 0 0 0
- -1.6164 -1.8149 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-189-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 43 1 V2000
- 0.7023 -0.4536 -0.0018 C 0 0 0
- -0.7023 -0.4536 -0.0017 C 0 0 0
- 1.3981 0.7695 -0.0008 C 0 0 0
- 1.4288 -1.7244 0.0030 C 0 0 0
- -1.3981 0.7695 -0.0004 C 0 0 0
- -1.4288 -1.7244 -0.0023 C 0 0 0
- 2.8611 0.7369 -0.0009 C 0 0 0
- 0.6810 1.9761 0.0008 C 0 0 0
- 2.8134 -1.7195 0.0033 C 0 0 0
- 0.6744 -2.9783 0.0078 C 0 0 0
- -2.8611 0.7369 -0.0002 C 0 0 0
- -0.6810 1.9761 0.0010 C 0 0 0
- -2.8134 -1.7195 -0.0025 C 0 0 0
- -0.6744 -2.9784 -0.0031 C 0 0 0
- 3.5319 -0.5113 -0.0021 C 0 0 0
- 3.6052 1.9214 0.0006 C 0 0 0
- -3.5319 -0.5113 -0.0012 C 0 0 0
- -3.6052 1.9214 0.0016 C 0 0 0
- 4.9403 -0.5279 -0.0022 C 0 0 0
- 4.9682 1.8672 0.0009 C 0 0 0
- -4.9403 -0.5279 -0.0010 C 0 0 0
- -4.9682 1.8672 0.0022 C 0 0 0
- 5.6325 0.6441 -0.0012 C 0 0 0
- -5.6325 0.6441 0.0003 C 0 0 0
- 1.2020 2.8917 0.0000 H 0 0 0
- 3.3358 -2.6343 0.0000 H 0 0 0
- 1.1929 -3.8953 0.0000 H 0 0 0
- -1.2020 2.8917 0.0000 H 0 0 0
- -3.3358 -2.6343 0.0000 H 0 0 0
- -1.1929 -3.8954 0.0000 H 0 0 0
- 3.1140 2.8533 0.0000 H 0 0 0
- -3.1140 2.8533 0.0000 H 0 0 0
- 5.4571 -1.4459 0.0000 H 0 0 0
- 5.5246 2.7617 0.0000 H 0 0 0
- -5.4571 -1.4459 0.0000 H 0 0 0
- -5.5246 2.7617 0.0000 H 0 0 0
- 6.6858 0.6252 0.0000 H 0 0 0
- -6.6858 0.6252 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 18 22 2 0
- 19 23 2 0
- 21 24 2 0
- 8 12 2 0
- 9 15 2 0
- 10 14 1 0
- 13 17 2 0
- 20 23 1 0
- 22 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
- 23 37 1 0
- 24 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1488-25-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 14 1 V2000
- -0.9268 0.7700 0.4631 C 0 0 0
- -0.9269 -0.7700 0.4631 C 0 0 0
- -1.3544 0.0000 -0.6622 O 0 0 0
- 0.3784 1.4571 0.1271 C 0 0 0
- 0.3783 -1.4572 0.1270 C 0 0 0
- 1.4507 0.7309 -0.1491 C 0 0 0
- 1.4507 -0.7309 -0.1491 C 0 0 0
- -1.6496 1.5092 0.0000 H 0 0 0
- -1.6498 -1.5091 0.0000 H 0 0 0
- 0.4356 2.4894 0.0000 H 0 0 0
- 0.4355 -2.4895 0.0000 H 0 0 0
- 2.3640 1.2154 0.0000 H 0 0 0
- 2.3640 -1.2154 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 2 0
- 5 7 2 0
- 2 3 1 0
- 6 7 1 0
- 1 8 1 0
- 2 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1874-24-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.2273 0.0836 -0.0039 C 0 0 0
- -1.3648 -0.6427 -0.0036 O 0 0 0
- -0.5792 1.4180 -0.0010 C 0 0 0
- 1.0910 -0.4313 -0.0015 C 0 0 0
- -2.4207 0.1824 -0.0005 C 0 0 0
- -1.9814 1.4608 0.0011 C 0 0 0
- 2.1509 0.4168 -0.0021 C 0 0 0
- -3.8400 -0.2385 0.0012 N 0 3 0
- 3.4670 -0.0972 0.0003 C 0 0 0
- -4.7237 0.5997 0.0039 O 0 0 0
- -4.1240 -1.4229 -0.0001 O 0 5 0
- 4.5211 0.7463 -0.0004 O 0 0 0
- 3.6504 -1.3004 0.0030 O 0 0 0
- 5.6983 -0.0638 0.0025 C 0 0 0
- 0.0531 2.2132 0.0000 H 0 0 0
- 1.2441 -1.4357 0.0000 H 0 0 0
- -2.5589 2.2966 0.0000 H 0 0 0
- 1.9978 1.4212 0.0000 H 0 0 0
- 5.1224 -0.9007 0.0000 H 0 0 0
- 6.5352 -0.6397 0.0000 H 0 0 0
- 6.2742 0.7731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 5 6 2 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 14 19 1 0
- 14 20 1 0
- 14 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41830-80-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- -5.1355 0.0077 -0.0794 C 0 0 0
- -6.2583 0.9244 -0.3233 C 0 0 0
- -3.9456 0.5098 0.4891 C 0 0 0
- -5.2585 -1.2803 -0.3921 N 0 0 0
- -6.1176 2.2871 0.0182 C 0 0 0
- -7.4545 0.4726 -0.8833 C 0 0 0
- -2.9004 -0.3202 0.7210 O 0 0 0
- -3.8282 1.8548 0.8173 C 0 0 0
- -4.2590 -2.1252 -0.1809 C 0 0 0
- -4.8598 2.7474 0.6044 C 0 0 0
- -7.1798 3.1688 -0.2099 C 0 0 0
- -8.4829 1.3632 -1.0955 C 0 0 0
- -3.0082 -1.6308 0.4040 C 0 0 0
- -4.3899 -3.4962 -0.5141 C 0 0 0
- -4.7031 4.0773 0.9453 N 0 0 0
- -8.3402 2.7040 -0.7597 C 0 0 0
- -1.9763 -2.4884 0.6257 C 0 0 0
- -3.3631 -4.3449 -0.2934 C 0 0 0
- -2.1123 -3.8531 0.2870 C 0 0 0
- -1.1082 -4.6912 0.5015 N 0 0 0
- 11.8046 0.5219 -0.1256 Cl 0 0 0
- 10.5672 1.5323 -0.3945 O 0 0 0
- 12.8440 1.2124 0.4240 O 0 0 0
- 11.4096 -0.4627 0.7309 O 0 0 0
- 12.2018 -0.0344 -1.3055 O 0 0 0
- -7.6307 -0.5164 0.0000 H 0 0 0
- -2.8973 2.2323 0.0000 H 0 0 0
- -7.0238 4.1611 0.0000 H 0 0 0
- -9.4174 0.9948 0.0000 H 0 0 0
- -5.3181 -3.8804 0.0000 H 0 0 0
- -3.7803 4.4743 0.0000 H 0 0 0
- -5.5083 4.6779 0.0000 H 0 0 0
- -9.1412 3.3103 0.0000 H 0 0 0
- -1.0468 -2.1074 0.0000 H 0 0 0
- -3.5212 -5.3369 0.0000 H 0 0 0
- -0.3370 -5.3349 0.0000 H 0 0 0
- 9.7891 2.1676 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 14 18 2 0
- 17 19 1 0
- 19 20 2 0
- 21 22 1 0
- 21 23 2 0
- 21 24 2 0
- 21 25 2 0
- 8 10 1 0
- 9 13 1 0
- 12 16 1 0
- 18 19 1 0
- 6 26 1 0
- 8 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 20 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-606-22-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 1.2019 -0.3759 0.0235 C 0 0 0
- -0.0001 0.3203 -0.0006 C 0 0 0
- 2.4849 0.3618 0.0524 N 0 3 0
- 1.1983 -1.7567 0.0261 C 0 0 0
- -1.2017 -0.3758 -0.0277 C 0 0 0
- -0.0003 1.7170 0.0021 N 0 0 0
- 3.3322 0.1435 -0.7950 O 0 0 0
- 2.6934 1.1871 0.9236 O 0 5 0
- -0.0001 -2.4467 0.0048 C 0 0 0
- -2.4849 0.3617 -0.0529 N 0 3 0
- -1.1980 -1.7570 -0.0307 C 0 0 0
- -3.3307 0.1414 0.7953 O 0 0 0
- -2.6949 1.1890 -0.9218 O 0 5 0
- 2.0951 -2.2768 0.0000 H 0 0 0
- 0.8974 2.2355 0.0000 H 0 0 0
- -0.8982 2.2352 0.0000 H 0 0 0
- -0.0001 -3.4834 0.0000 H 0 0 0
- -2.0948 -2.2771 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 10 12 2 0
- 10 13 1 0
- 9 11 2 0
- 4 14 1 0
- 6 15 1 0
- 6 16 1 0
- 9 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76-44-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.9939 -2.0655 1.6636 Cl 0 0 0
- 0.3609 -0.8307 0.5123 C 0 0 0
- 1.1452 -0.6661 -0.8266 C 0 0 0
- -1.0953 -1.0578 -0.0353 C 0 0 0
- 0.2448 0.6018 1.0457 C 0 0 0
- 0.1511 0.1016 -1.7421 C 0 0 0
- 2.2696 0.3537 -0.5858 C 0 0 0
- -1.2057 -2.4856 -1.1308 Cl 0 0 0
- -2.3259 -1.1175 1.2811 Cl 0 0 0
- -1.1151 0.3046 -0.8189 C 0 0 0
- 1.0921 1.2463 2.4170 Cl 0 0 0
- -0.6092 1.2625 0.2850 C 0 0 0
- 0.7637 1.4563 -1.9727 C 0 0 0
- 3.8232 -0.3031 -1.2228 Cl 0 0 0
- 1.8964 1.5928 -1.3539 C 0 0 0
- -2.6613 0.7463 -1.6344 Cl 0 0 0
- -1.0755 2.9224 0.4870 Cl 0 0 0
- 1.6096 -1.5764 0.0000 H 0 0 0
- -0.2546 -0.8363 0.0000 H 0 0 0
- 3.0300 1.0365 0.0000 H 0 0 0
- 0.1592 2.2802 0.0000 H 0 0 0
- 2.4557 2.4481 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 4 1 0
- 11 5 1 0
- 12 5 2 0
- 13 6 1 0
- 14 7 1 0
- 15 7 1 0
- 16 10 1 0
- 17 12 1 0
- 6 10 1 0
- 10 12 1 0
- 13 15 2 0
- 3 18 1 0
- 6 19 1 0
- 7 20 1 0
- 13 21 1 0
- 15 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5557-27-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 38 1 V2000
- 1.5023 0.6316 -0.2337 C 0 0 0
- 1.4595 -0.7644 -0.1211 C 0 0 0
- 0.4507 1.3790 -0.5877 O 0 0 0
- 2.7189 1.2747 0.0316 C 0 0 0
- 0.1670 -1.4424 -0.3629 C 0 0 0
- 2.6003 -1.4988 0.2161 C 0 0 0
- -0.7626 0.8451 -0.4143 C 0 0 0
- 3.8386 0.5447 0.3772 C 0 0 0
- 2.7973 2.6305 -0.0525 O 0 0 0
- -0.9989 -0.5366 -0.3329 C 0 0 0
- 0.0730 -2.6393 -0.5682 O 0 0 0
- 3.7899 -0.8363 0.4675 C 0 0 0
- 2.5420 -2.8529 0.2969 O 0 0 0
- -1.8573 1.7036 -0.3120 C 0 0 0
- 4.1434 2.9870 0.2685 C 0 0 0
- -2.2978 -1.0450 -0.2172 C 0 0 0
- -3.1379 1.1997 -0.1692 C 0 0 0
- -3.3665 -0.1713 -0.1300 C 0 0 0
- -2.5071 -2.3853 -0.1913 O 0 0 0
- -4.1860 2.0558 -0.0659 O 0 0 0
- -2.3305 -2.8047 1.1633 C 0 0 0
- -4.3621 2.3271 1.3260 C 0 0 0
- 4.7498 1.0178 0.0000 H 0 0 0
- 4.6657 -1.3720 0.0000 H 0 0 0
- 2.4978 -3.8786 0.0000 H 0 0 0
- -1.7089 2.7195 0.0000 H 0 0 0
- 4.4062 1.9946 0.0000 H 0 0 0
- 5.1358 3.2498 0.0000 H 0 0 0
- 3.8806 3.9794 0.0000 H 0 0 0
- -4.3273 -0.5331 0.0000 H 0 0 0
- -3.2767 -3.2031 0.0000 H 0 0 0
- -1.9321 -3.7509 0.0000 H 0 0 0
- -1.3843 -2.4063 0.0000 H 0 0 0
- -3.5010 2.8861 0.0000 H 0 0 0
- -4.9211 3.1882 0.0000 H 0 0 0
- -5.2232 1.7681 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 7 10 2 0
- 8 12 1 0
- 17 18 1 0
- 8 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 18 30 1 0
- 21 31 1 0
- 21 32 1 0
- 21 33 1 0
- 22 34 1 0
- 22 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-548-39-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.3417 -0.0019 -0.0019 C 0 0 0
- -0.9553 -0.5561 -0.0011 C 0 0 0
- 0.5120 1.4012 -0.0006 C 0 0 0
- 1.4705 -0.8512 0.0019 C 0 0 0
- -2.1151 0.3478 0.0007 C 0 0 0
- -1.1083 -1.9392 -0.0024 C 0 0 0
- -0.6614 2.2700 0.0006 C 0 0 0
- 1.8039 1.9294 -0.0009 C 0 0 0
- 1.2802 -2.2438 0.0064 C 0 0 0
- 2.7565 -0.2824 0.0015 C 0 0 0
- -1.9087 1.7464 0.0014 C 0 0 0
- -3.2475 -0.1060 0.0010 O 0 0 0
- 0.0063 -2.7652 -0.0044 C 0 0 0
- 2.9042 1.0862 -0.0025 C 0 0 0
- -2.0711 -2.3593 0.0000 H 0 0 0
- -0.5357 3.3129 0.0000 H 0 0 0
- 1.9431 2.9706 0.0000 H 0 0 0
- 2.1107 -2.8871 0.0000 H 0 0 0
- 3.6047 -0.9021 0.0000 H 0 0 0
- -2.7386 2.3904 0.0000 H 0 0 0
- -0.1243 -3.8075 0.0000 H 0 0 0
- 3.8698 1.4998 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 8 14 1 0
- 7 11 2 0
- 9 13 1 0
- 10 14 2 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1838-94-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.1852 -0.0219 -0.5731 C 0 0 0
- -2.1069 0.3270 0.2899 C 0 0 0
- 0.2295 -0.2580 -0.1106 C 0 0 0
- 0.5879 -1.7092 0.2156 C 0 0 0
- 1.3279 0.6342 -0.6921 C 0 0 0
- 0.8608 0.7716 0.6533 O 0 0 0
- -1.4415 -0.9715 0.0000 H 0 0 0
- -2.2653 1.2977 0.0000 H 0 0 0
- -2.8684 -0.2955 0.0000 H 0 0 0
- -0.3670 -1.9450 0.0000 H 0 0 0
- 0.8237 -2.6641 0.0000 H 0 0 0
- 1.5428 -1.4734 0.0000 H 0 0 0
- 2.0879 0.0098 0.0000 H 0 0 0
- 1.7881 1.5034 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 3 1 0
- 5 3 1 0
- 6 3 1 0
- 5 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3081-14-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 58 1 V2000
- -1.3954 1.3435 -0.0205 C 0 0 0
- -2.7949 1.3485 -0.0577 N 0 0 0
- -0.6955 2.5416 -0.0685 C 0 0 0
- -0.7075 0.1405 0.0701 C 0 0 0
- -3.5005 0.7048 -1.1685 C 0 0 0
- 0.6852 2.5367 -0.0314 C 0 0 0
- 0.6727 0.1356 0.1071 C 0 0 0
- -4.7500 -0.0013 -0.6383 C 0 0 0
- -3.9097 1.7634 -2.1946 C 0 0 0
- 1.3731 1.3337 0.0539 C 0 0 0
- -4.3408 -1.0599 0.3877 C 0 0 0
- 2.7726 1.3288 0.0914 N 0 0 0
- -5.5903 -1.7660 0.9180 C 0 0 0
- 3.4735 0.6536 1.1864 C 0 0 0
- -6.3272 -2.4383 -0.2422 C 0 0 0
- -5.1812 -2.8246 1.9440 C 0 0 0
- 4.7424 -0.0098 0.6473 C 0 0 0
- 3.8498 1.6775 2.2593 C 0 0 0
- 4.3662 -1.0337 -0.4256 C 0 0 0
- 5.6351 -1.6971 -0.9647 C 0 0 0
- 6.3672 -2.4023 0.1788 C 0 0 0
- 5.2589 -2.7209 -2.0376 C 0 0 0
- -3.1674 2.3145 0.0000 H 0 0 0
- -1.2093 3.4405 0.0000 H 0 0 0
- -1.2286 -0.7541 0.0000 H 0 0 0
- -2.8931 -0.1336 0.0000 H 0 0 0
- 1.2063 3.4313 0.0000 H 0 0 0
- 1.1863 -0.7633 0.0000 H 0 0 0
- -5.2151 0.9237 0.0000 H 0 0 0
- -5.6965 -0.4210 0.0000 H 0 0 0
- -2.9440 2.1367 0.0000 H 0 0 0
- -4.2830 2.7291 0.0000 H 0 0 0
- -4.8754 1.3901 0.0000 H 0 0 0
- -3.8757 -1.9849 0.0000 H 0 0 0
- -3.3943 -0.6402 0.0000 H 0 0 0
- 3.1615 2.2883 0.0000 H 0 0 0
- -6.1977 -0.9276 0.0000 H 0 0 0
- 2.8684 -0.1865 0.0000 H 0 0 0
- -7.0250 -1.6734 0.0000 H 0 0 0
- -7.0921 -3.1361 0.0000 H 0 0 0
- -5.6294 -3.2032 0.0000 H 0 0 0
- -6.1469 -3.1978 0.0000 H 0 0 0
- -4.8080 -3.7903 0.0000 H 0 0 0
- -4.2155 -2.4514 0.0000 H 0 0 0
- 5.6979 -0.4085 0.0000 H 0 0 0
- 5.1820 0.9276 0.0000 H 0 0 0
- 4.8216 1.3204 0.0000 H 0 0 0
- 4.2069 2.6493 0.0000 H 0 0 0
- 2.8780 2.0346 0.0000 H 0 0 0
- 3.4107 -0.6350 0.0000 H 0 0 0
- 3.9266 -1.9711 0.0000 H 0 0 0
- 6.2402 -0.8570 0.0000 H 0 0 0
- 5.6489 -3.1480 0.0000 H 0 0 0
- 7.1129 -3.1206 0.0000 H 0 0 0
- 7.0855 -1.6566 0.0000 H 0 0 0
- 4.2871 -2.3638 0.0000 H 0 0 0
- 4.9018 -3.6927 0.0000 H 0 0 0
- 6.2307 -3.0780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 14 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 10 1 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 9 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 21 55 1 0
- 22 56 1 0
- 22 57 1 0
- 22 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-161697-01-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 0.3130 0.3727 -0.1200 C 0 0 0
- 0.0940 -1.0287 -0.1106 C 0 0 0
- -0.7319 1.2040 -0.2092 N 0 0 0
- 1.6250 0.8659 -0.0411 C 0 0 0
- -1.1542 -1.5012 -0.1911 N 0 0 0
- 1.1933 -1.9017 -0.0172 C 0 0 0
- -1.9486 0.7143 -0.2872 C 0 0 0
- 2.6791 -0.0168 0.0441 C 0 0 0
- 1.8786 2.3514 -0.0491 C 0 0 0
- -2.1635 -0.6649 -0.2780 C 0 0 0
- 2.4531 -1.3998 0.0632 C 0 0 0
- -3.1244 1.6515 -0.3878 C 0 0 0
- 3.9833 0.4707 0.1221 N 0 0 0
- -3.5692 -1.2005 -0.3686 C 0 0 0
- -3.1275 2.5967 0.8153 C 0 0 0
- 5.1096 -0.4617 0.2129 C 0 0 0
- -3.8589 -2.0810 0.8486 C 0 0 0
- 1.0412 -2.9361 0.0000 H 0 0 0
- 2.9093 2.1754 0.0000 H 0 0 0
- 2.0546 3.3821 0.0000 H 0 0 0
- 0.8479 2.5274 0.0000 H 0 0 0
- 3.2682 -2.0547 0.0000 H 0 0 0
- -4.1443 1.8818 0.0000 H 0 0 0
- -3.5769 0.7089 0.0000 H 0 0 0
- 4.1570 1.5017 0.0000 H 0 0 0
- -3.7117 -0.1647 0.0000 H 0 0 0
- -4.6105 -1.1059 0.0000 H 0 0 0
- -2.0819 2.6001 0.0000 H 0 0 0
- -3.1309 3.6423 0.0000 H 0 0 0
- -4.1731 2.5933 0.0000 H 0 0 0
- 4.4429 -1.2671 0.0000 H 0 0 0
- 5.9150 -1.1284 0.0000 H 0 0 0
- 5.7763 0.3437 0.0000 H 0 0 0
- -4.8521 -1.7542 0.0000 H 0 0 0
- -4.1857 -3.0742 0.0000 H 0 0 0
- -2.8657 -2.4078 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 7 10 1 0
- 8 11 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-94-52-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -1.2062 0.6122 -0.0026 C 0 0 0
- -1.6286 -0.7278 -0.0018 C 0 0 0
- 0.1608 0.9021 -0.0019 C 0 0 0
- -2.3262 1.3799 0.0015 N 0 0 0
- -0.6877 -1.7487 0.0004 C 0 0 0
- -3.0087 -0.6923 -0.0027 N 0 0 0
- 1.0723 -0.1154 -0.0005 C 0 0 0
- -3.3797 0.6165 0.0047 C 0 0 0
- 0.6556 -1.4391 0.0017 C 0 0 0
- 2.5191 0.1972 0.0002 N 0 3 0
- 3.3372 -0.7052 0.0014 O 0 0 0
- 2.8917 1.3568 -0.0005 O 0 5 0
- 0.4818 1.8849 0.0000 H 0 0 0
- -0.9931 -2.7365 0.0000 H 0 0 0
- -3.6427 -1.5090 0.0000 H 0 0 0
- -4.3565 0.9552 0.0000 H 0 0 0
- 1.3574 -2.1983 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 8 1 0
- 7 9 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.4702 -0.0035 -0.0014 C 0 0 0
- -0.6829 0.6836 0.0008 O 0 0 0
- 1.7856 0.7319 0.0000 C 0 0 0
- 0.4536 -1.2116 0.0005 O 0 0 0
- -1.9502 -0.0250 -0.0005 C 0 0 0
- 2.2969 -0.1827 0.0000 H 0 0 0
- 2.7002 1.2432 0.0000 H 0 0 0
- 1.2743 1.6465 0.0000 H 0 0 0
- -2.4616 0.8896 0.0000 H 0 0 0
- -2.8648 -0.5364 0.0000 H 0 0 0
- -1.4388 -0.9396 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-99-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.6455 0.1113 -0.0032 C 0 0 0
- -0.3781 -0.8266 -0.0028 C 0 0 0
- 0.3427 1.4672 -0.0009 C 0 0 0
- 1.9778 -0.3077 -0.0001 N 0 0 0
- -1.6988 -0.4069 -0.0001 C 0 0 0
- -0.9753 1.8814 0.0018 C 0 0 0
- 3.0572 0.6828 -0.0005 C 0 0 0
- 2.2960 -1.7378 0.0036 C 0 0 0
- -1.9953 0.9492 0.0022 C 0 0 0
- -2.7031 -1.3223 -0.0001 O 0 0 0
- -0.1539 -1.8433 0.0000 H 0 0 0
- 1.1095 2.1716 0.0000 H 0 0 0
- -1.2005 2.8979 0.0000 H 0 0 0
- 3.7611 -0.0843 0.0000 H 0 0 0
- 3.8243 1.3867 0.0000 H 0 0 0
- 2.3533 1.4499 0.0000 H 0 0 0
- 1.2797 -1.9639 0.0000 H 0 0 0
- 2.5221 -2.7541 0.0000 H 0 0 0
- 3.3123 -1.5117 0.0000 H 0 0 0
- -2.9876 1.2644 0.0000 H 0 0 0
- -3.4726 -2.0237 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 9 2 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-64-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.0355 0.0000 0.0000 C 0 0 0
- -0.5455 -1.4422 0.0297 C 0 0 0
- -0.5455 0.6953 -1.2638 C 0 0 0
- -0.5455 0.7468 1.2341 C 0 0 0
- 1.4335 0.0000 0.0000 N 0 0 0
- -1.3846 -1.1455 0.0000 H 0 0 0
- -0.8422 -2.2813 0.0000 H 0 0 0
- 0.2936 -1.7389 0.0000 H 0 0 0
- 0.1721 1.2217 0.0000 H 0 0 0
- -1.0719 1.4129 0.0000 H 0 0 0
- -1.2631 0.1689 0.0000 H 0 0 0
- 0.1895 1.2487 0.0000 H 0 0 0
- -1.0474 1.4818 0.0000 H 0 0 0
- -1.2805 0.2449 0.0000 H 0 0 0
- 1.8785 -0.7708 0.0000 H 0 0 0
- 1.8785 0.7708 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-124-40-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0000 -0.5538 0.0000 N 0 0 0
- -1.1786 0.3230 0.0000 C 0 0 0
- 1.1786 0.3230 0.0000 C 0 0 0
- 0.0000 -1.6555 0.0000 H 0 0 0
- -0.5210 1.2069 0.0000 H 0 0 0
- -2.0625 0.9806 0.0000 H 0 0 0
- -1.8362 -0.5609 0.0000 H 0 0 0
- 1.8362 -0.5609 0.0000 H 0 0 0
- 2.0625 0.9806 0.0000 H 0 0 0
- 0.5210 1.2069 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-622-79-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.4698 -0.2706 -0.4191 C 0 0 0
- 1.3578 -1.2384 0.0125 C 0 0 0
- 0.8517 1.0576 -0.4402 C 0 0 0
- -0.9123 -0.6645 -0.8726 C 0 0 0
- 2.6273 -0.8778 0.4230 C 0 0 0
- 2.1216 1.4183 -0.0297 C 0 0 0
- -1.8263 -0.6437 0.2722 N 0 0 0
- 3.0093 0.4508 0.4018 C 0 0 0
- -2.7218 0.0356 0.2641 N 0 3 0
- -3.6173 0.7148 0.2560 N 0 5 0
- 1.0889 -2.1885 0.0000 H 0 0 0
- 0.1546 1.7570 0.0000 H 0 0 0
- -1.3384 -1.5553 0.0000 H 0 0 0
- -0.2753 -1.4190 0.0000 H 0 0 0
- 3.3244 -1.5771 0.0000 H 0 0 0
- 2.3905 2.3684 0.0000 H 0 0 0
- 3.9705 0.6771 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 2 0
- 9 10 2 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1845-30-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.9237 0.6972 -0.3844 C 0 0 0
- -0.3939 1.2516 0.1832 C 0 0 1
- 0.9740 -0.1902 0.8738 C 0 0 1
- 0.7518 -0.0884 -1.6860 C 0 0 0
- 2.0485 1.7320 -0.4541 C 0 0 0
- -1.5144 0.2609 -0.0633 C 0 0 0
- 0.1971 0.9333 1.5764 C 0 0 0
- 0.0946 -1.4257 0.6571 C 0 0 1
- -1.2708 -1.0076 0.1697 C 0 0 0
- -2.8623 0.7169 -0.5597 C 0 0 0
- 0.7049 -2.2807 -0.3118 O 0 0 0
- -0.5635 2.2836 0.0000 H 0 0 0
- 1.9788 -0.4802 0.0000 H 0 0 0
- -0.2699 0.1352 0.0000 H 0 0 0
- 0.5282 -1.1101 0.0000 H 0 0 0
- 1.7735 -0.3120 0.0000 H 0 0 0
- 2.7566 0.9623 0.0000 H 0 0 0
- 2.8182 2.4401 0.0000 H 0 0 0
- 1.3404 2.5017 0.0000 H 0 0 0
- 1.2133 1.1805 0.0000 H 0 0 0
- 0.3303 1.9706 0.0000 H 0 0 0
- -0.5165 -2.2744 0.0000 H 0 0 0
- -2.0490 -1.7064 0.0000 H 0 0 0
- -2.5271 1.7076 0.0000 H 0 0 0
- -3.8530 1.0521 0.0000 H 0 0 0
- -3.1975 -0.2738 0.0000 H 0 0 0
- 1.3125 -3.1319 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 6 9 2 0
- 6 10 1 0
- 8 11 1 0
- 3 7 1 0
- 8 9 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-150-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -2.3918 -0.2271 -0.0448 C 0 0 0
- -3.7110 0.0295 0.0564 N 0 0 0
- -1.5116 0.7904 -0.1256 N 0 0 0
- -1.9953 -1.3764 -0.0582 O 0 0 0
- -4.6677 -1.0765 0.1443 C 0 0 0
- -4.1883 1.4144 0.0787 C 0 0 0
- -0.1365 0.5316 -0.0807 C 0 0 0
- 0.7675 1.5839 -0.0157 C 0 0 0
- 0.3256 -0.7775 -0.0955 C 0 0 0
- 2.1234 1.3259 0.0284 C 0 0 0
- 1.6829 -1.0301 -0.0512 C 0 0 0
- 2.5817 0.0201 0.0078 C 0 0 0
- 4.2869 -0.3007 0.0634 Cl 0 0 0
- -1.8536 1.7703 0.0000 H 0 0 0
- -5.4527 -0.3975 0.0000 H 0 0 0
- -5.3467 -1.8615 0.0000 H 0 0 0
- -3.8827 -1.7555 0.0000 H 0 0 0
- -3.2070 1.7526 0.0000 H 0 0 0
- -4.5265 2.3957 0.0000 H 0 0 0
- -5.1696 1.0762 0.0000 H 0 0 0
- 0.4248 2.5636 0.0000 H 0 0 0
- -0.3492 -1.5662 0.0000 H 0 0 0
- 2.8005 2.1126 0.0000 H 0 0 0
- 2.0285 -2.0088 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 7 8 1 0
- 7 9 2 0
- 8 10 2 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 11 12 2 0
- 3 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.0016 -0.3481 -0.1760 P 0 0 0
- -1.3134 -0.5856 0.7220 O 0 0 0
- 0.0070 1.1634 -0.7304 O 0 0 0
- 1.3157 -0.5955 0.7208 O 0 0 0
- -0.0025 -1.2918 -1.3161 O 0 0 0
- -2.4265 -0.6098 -0.1738 C 0 0 0
- -0.0131 2.0223 0.4114 C 0 0 0
- 2.4314 -0.5937 -0.1721 C 0 0 0
- -3.7152 -0.8333 0.6199 C 0 0 0
- -0.0091 3.4817 -0.0480 C 0 0 0
- 3.7193 -0.8252 0.6206 C 0 0 0
- -1.9981 0.2729 0.0000 H 0 0 0
- -3.0166 0.1741 0.0000 H 0 0 0
- -0.8657 2.5078 0.0000 H 0 0 0
- -0.8555 1.5193 0.0000 H 0 0 0
- 3.0186 0.1923 0.0000 H 0 0 0
- 1.9911 0.2831 0.0000 H 0 0 0
- -3.8829 0.1334 0.0000 H 0 0 0
- -4.6819 -1.0010 0.0000 H 0 0 0
- -3.5475 -1.8000 0.0000 H 0 0 0
- 0.9721 3.4790 0.0000 H 0 0 0
- -0.0064 4.4629 0.0000 H 0 0 0
- -0.9903 3.4844 0.0000 H 0 0 0
- 3.5457 -1.7909 0.0000 H 0 0 0
- 4.6850 -0.9988 0.0000 H 0 0 0
- 3.8929 0.1405 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1124-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.6201 0.0001 -0.0009 C 0 0 0
- -2.1001 0.0000 -0.0007 N 0 3 0
- 0.0893 1.1912 0.0010 C 0 0 0
- 0.0896 -1.1914 0.0030 C 0 0 0
- -2.7091 -1.0548 -0.0023 O 0 0 0
- -2.7091 1.0548 0.0010 O 0 5 0
- 1.4708 1.1526 0.0007 C 0 0 0
- 1.4706 -1.1527 0.0027 C 0 0 0
- 2.1136 0.0001 -0.0012 N 0 3 0
- 3.5296 0.0001 -0.0019 O 0 5 0
- -0.4101 2.0993 0.0000 H 0 0 0
- -0.4098 -2.0995 0.0000 H 0 0 0
- 2.0080 2.0388 0.0000 H 0 0 0
- 2.0079 -2.0389 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93-72-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 0.5722 0.2298 -0.6465 C 0 0 0
- 0.1168 1.4511 -0.1694 C 0 0 0
- -0.2922 -0.8528 -0.7129 C 0 0 0
- 1.8624 0.0965 -1.0536 O 0 0 0
- -1.1973 1.5864 0.2389 C 0 0 0
- 1.1966 2.8077 -0.0847 Cl 0 0 0
- -1.6054 -0.7137 -0.3038 C 0 0 0
- 2.6566 -0.0342 0.1271 C 0 0 0
- -2.0580 0.5056 0.1720 C 0 0 0
- -2.6879 -2.0684 -0.3865 Cl 0 0 0
- 2.8282 -1.4943 0.4581 C 0 0 0
- 4.0289 0.6000 -0.1086 C 0 0 0
- -3.7074 0.6779 0.6852 Cl 0 0 0
- 3.5431 -1.8592 1.5339 O 0 0 0
- 2.3223 -2.3367 -0.2451 O 0 0 0
- 0.0897 -1.7670 0.0000 H 0 0 0
- -1.5812 2.4998 0.0000 H 0 0 0
- 2.5233 0.9476 0.0000 H 0 0 0
- 4.4445 -0.2994 0.0000 H 0 0 0
- 4.9283 1.0156 0.0000 H 0 0 0
- 3.6133 1.4994 0.0000 H 0 0 0
- 4.4256 -2.3096 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 1 0
- 11 15 2 0
- 7 9 1 0
- 3 16 1 0
- 5 17 1 0
- 8 18 1 0
- 12 19 1 0
- 12 20 1 0
- 12 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10567-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 38 1 V2000
- -0.2069 -0.3423 -0.0022 C 0 0 0
- -1.6226 -0.7446 -0.0018 C 0 0 0
- 0.1073 1.0416 -0.0008 C 0 0 0
- 0.7417 -1.2659 0.0016 N 0 0 0
- -2.6254 0.2467 0.0001 C 0 0 0
- -1.9836 -2.0937 -0.0028 C 0 0 0
- 1.4405 1.4544 -0.0011 C 0 0 0
- -0.9637 2.0356 0.0015 C 0 0 0
- 2.0317 -0.9413 0.0014 C 0 0 0
- -2.2573 1.6597 0.0020 C 0 0 0
- -3.9727 -0.1387 0.0005 C 0 0 0
- -3.3154 -2.4416 -0.0019 C 0 0 0
- 2.4325 0.4683 -0.0033 C 0 0 0
- 1.8002 2.9179 0.0002 C 0 0 0
- 3.0389 -1.9257 0.0063 C 0 0 0
- -3.3377 2.7103 0.0039 C 0 0 0
- -4.3015 -1.4632 -0.0009 C 0 0 0
- 3.8019 0.7913 -0.0037 C 0 0 0
- 4.3451 -1.5495 0.0066 C 0 0 0
- 4.7238 -0.2084 -0.0057 C 0 0 0
- -1.2440 -2.8377 0.0000 H 0 0 0
- -0.7218 3.0564 0.0000 H 0 0 0
- -4.7275 0.5899 0.0000 H 0 0 0
- -3.5881 -3.4546 0.0000 H 0 0 0
- 2.8189 2.6675 0.0000 H 0 0 0
- 2.0506 3.9366 0.0000 H 0 0 0
- 0.7815 3.1683 0.0000 H 0 0 0
- 2.7827 -2.9430 0.0000 H 0 0 0
- -2.6064 3.4624 0.0000 H 0 0 0
- -4.0898 3.4416 0.0000 H 0 0 0
- -4.0690 1.9582 0.0000 H 0 0 0
- -5.3117 -1.7460 0.0000 H 0 0 0
- 4.1090 1.7944 0.0000 H 0 0 0
- 5.0888 -2.2894 0.0000 H 0 0 0
- 5.7441 0.0357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 15 19 2 0
- 18 20 2 0
- 8 10 2 0
- 9 13 1 0
- 12 17 1 0
- 19 20 1 0
- 6 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80266-02-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 52 1 V2000
- 2.4583 0.1545 -0.3213 C 0 0 0
- 1.4454 1.0210 -0.7602 C 0 0 0
- 3.4798 0.6525 0.6027 C 0 0 0
- 2.4906 -1.1884 -0.7612 C 0 0 0
- 1.4614 2.3509 -0.2819 C 0 0 0
- 0.4666 0.5890 -1.6303 N 0 0 0
- 3.4574 1.9174 1.0305 N 0 0 0
- 4.4903 -0.2173 1.0386 C 0 0 0
- 3.4639 -2.0231 -0.3396 C 0 0 0
- 2.5180 2.7719 0.6408 C 0 0 0
- 0.4858 3.2780 -0.6716 C 0 0 0
- -0.7218 0.0387 -1.1309 C 0 0 0
- 4.5017 -1.5531 0.5783 C 0 0 0
- 2.5129 4.1050 1.1054 C 0 0 0
- 0.5362 4.5520 -0.1870 C 0 0 0
- -1.7111 -0.3979 -2.0097 C 0 0 0
- -0.9114 -0.0769 0.2387 C 0 0 0
- 5.4512 -2.3833 0.9829 N 0 0 0
- 1.5380 4.9576 0.6901 C 0 0 0
- -2.8841 -0.9416 -1.5138 C 0 0 0
- -1.5252 -0.2898 -3.3523 O 0 0 0
- -2.0823 -0.6197 0.7316 C 0 0 0
- 5.4615 -3.4462 0.6176 N 0 3 0
- -3.0721 -1.0507 -0.1424 C 0 0 0
- -2.6990 -0.8150 -3.9755 C 0 0 0
- 5.4719 -4.5091 0.2522 N 0 5 0
- -4.2571 -1.5995 0.3593 N 0 0 0
- -5.2442 -0.6912 1.3304 S 0 0 0
- -5.8807 0.5777 0.2011 C 0 0 0
- -6.2567 -1.6158 1.7032 O 0 0 0
- -4.3370 -0.1426 2.2765 O 0 0 0
- 1.6242 -1.5994 0.0000 H 0 0 0
- 0.0715 1.4628 0.0000 H 0 0 0
- 5.3602 0.1862 0.0000 H 0 0 0
- 3.3284 -2.9724 0.0000 H 0 0 0
- -0.4027 2.9173 0.0000 H 0 0 0
- 3.3853 4.5030 0.0000 H 0 0 0
- -0.2482 5.1036 0.0000 H 0 0 0
- -0.4594 -0.9226 0.0000 H 0 0 0
- 1.6973 5.9032 0.0000 H 0 0 0
- -3.3269 -0.0910 0.0000 H 0 0 0
- -1.6892 -1.4944 0.0000 H 0 0 0
- -3.0907 0.0603 0.0000 H 0 0 0
- -3.5743 -1.2067 0.0000 H 0 0 0
- -2.3073 -1.6903 0.0000 H 0 0 0
- -4.4052 -2.5469 0.0000 H 0 0 0
- -5.0235 1.0077 0.0000 H 0 0 0
- -6.3107 1.4349 0.0000 H 0 0 0
- -6.7379 0.1477 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 12 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 2 0
- 16 20 1 0
- 16 21 1 0
- 17 22 2 0
- 18 23 2 0
- 20 24 2 0
- 21 25 1 0
- 23 26 2 0
- 24 27 1 0
- 27 28 1 0
- 28 29 1 0
- 28 30 2 0
- 28 31 2 0
- 7 10 2 0
- 9 13 1 0
- 15 19 1 0
- 22 24 1 0
- 4 32 1 0
- 6 33 1 0
- 8 34 1 0
- 9 35 1 0
- 11 36 1 0
- 14 37 1 0
- 15 38 1 0
- 17 39 1 0
- 19 40 1 0
- 20 41 1 0
- 22 42 1 0
- 25 43 1 0
- 25 44 1 0
- 25 45 1 0
- 27 46 1 0
- 29 47 1 0
- 29 48 1 0
- 29 49 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-22-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.6159 -0.4159 0.0000 C 0 0 0
- -0.6159 0.4159 0.0000 C 0 0 0
- 1.7018 0.1130 0.0000 O 0 0 0
- -1.7018 -0.1130 0.0000 O 0 0 0
- 0.5522 -1.3196 0.0000 H 0 0 0
- -0.5522 1.3196 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 1 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6757-06-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 1.5703 -3.4811 -0.8110 O 0 0 0
- 1.4050 -2.2812 -0.0527 C 0 0 0
- 1.4427 -1.0659 -0.9995 C 0 0 0
- -0.0190 -2.2458 0.5535 C 0 0 0
- 0.1441 -0.4511 -0.9575 O 0 0 0
- 2.4502 -0.1118 -0.5295 N 0 0 0
- 0.0535 -2.5113 1.9557 O 0 0 0
- -0.4314 -0.7689 0.3279 C 0 0 0
- 2.0664 1.1290 -0.1892 C 0 0 0
- 3.7598 -0.5118 -0.4436 C 0 0 0
- -1.9559 -0.6725 0.2420 C 0 0 0
- 0.8924 1.4325 -0.2788 O 0 0 0
- 2.9501 2.0452 0.2483 N 0 0 0
- 4.7013 0.3487 -0.0143 C 0 0 0
- -2.3361 0.6892 0.0340 O 0 0 0
- 4.2909 1.7100 0.3542 C 0 0 0
- -3.9439 0.7164 -0.0462 P 0 0 0
- 5.1691 2.5838 0.7766 N 0 0 0
- -4.3961 -0.1328 -1.1708 O 0 0 0
- -4.5595 0.1553 1.3315 O 0 0 0
- -4.4440 2.2287 -0.2809 O 0 0 0
- 1.7068 -4.4723 0.0000 H 0 0 0
- 2.4041 -2.2283 0.0000 H 0 0 0
- 2.3555 -1.4755 0.0000 H 0 0 0
- -0.9834 -2.5121 0.0000 H 0 0 0
- 0.3171 -3.4765 0.0000 H 0 0 0
- -0.6504 0.2074 0.0000 H 0 0 0
- 3.9801 -1.4878 0.0000 H 0 0 0
- -2.9436 -0.8324 0.0000 H 0 0 0
- -1.9072 -1.6719 0.0000 H 0 0 0
- 2.6743 3.0070 0.0000 H 0 0 0
- 5.6659 0.0830 0.0000 H 0 0 0
- 5.8784 3.2895 0.0000 H 0 0 0
- -5.2990 -0.5187 0.0000 H 0 0 0
- -4.7581 3.1787 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 6 1 0
- 10 6 1 0
- 11 8 1 0
- 12 9 2 0
- 13 9 1 0
- 14 10 2 0
- 15 11 1 0
- 16 13 1 0
- 17 15 1 0
- 18 16 2 0
- 19 17 2 0
- 20 17 1 0
- 21 17 1 0
- 5 8 1 0
- 14 16 1 0
- 1 22 1 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 7 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 14 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122349-91-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -0.2407 0.7698 0.0041 C 0 0 0
- -0.1863 -0.6471 0.0020 C 0 0 0
- 0.9580 1.5009 0.0035 C 0 0 0
- -1.4252 1.3903 0.0011 N 0 0 0
- -1.3899 -1.3746 0.0025 C 0 0 0
- 1.0590 -1.2985 -0.0011 C 0 0 0
- 2.1628 0.8324 0.0009 C 0 0 0
- -2.5490 0.7141 -0.0039 C 0 0 0
- -2.5657 -0.6779 0.0051 C 0 0 0
- -1.3833 -2.8816 -0.0002 C 0 0 0
- 2.2049 -0.5678 -0.0021 C 0 0 0
- 3.3536 1.5579 0.0004 N 0 0 0
- -3.8564 1.4636 -0.0072 C 0 0 0
- 3.5371 -1.2724 -0.0054 C 0 0 0
- 0.9364 2.5513 0.0000 H 0 0 0
- 1.1040 -2.3482 0.0000 H 0 0 0
- -3.4816 -1.1926 0.0000 H 0 0 0
- -2.4339 -2.8862 0.0000 H 0 0 0
- -1.3787 -3.9322 0.0000 H 0 0 0
- -0.3327 -2.8770 0.0000 H 0 0 0
- 4.2756 1.0542 0.0000 H 0 0 0
- 3.3288 2.6082 0.0000 H 0 0 0
- -3.3339 2.3751 0.0000 H 0 0 0
- -4.7679 1.9861 0.0000 H 0 0 0
- -4.3789 0.5521 0.0000 H 0 0 0
- 3.0459 -2.2011 0.0000 H 0 0 0
- 4.4658 -1.7636 0.0000 H 0 0 0
- 4.0283 -0.3437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 11 14 1 0
- 7 11 1 0
- 8 9 2 0
- 3 15 1 0
- 6 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-63-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.0795 0.0000 0.3823 C 0 0 0
- 0.8035 -1.2490 -0.1243 C 0 0 0
- 0.8029 1.2494 -0.1243 C 0 0 0
- -1.2655 -0.0003 -0.1004 O 0 0 0
- -0.4610 -0.9382 0.0000 H 0 0 0
- -0.1332 -1.7920 0.0000 H 0 0 0
- 1.3465 -2.1858 0.0000 H 0 0 0
- 1.7402 -0.7060 0.0000 H 0 0 0
- 1.7399 0.7069 0.0000 H 0 0 0
- 1.3454 2.1864 0.0000 H 0 0 0
- -0.1341 1.7919 0.0000 H 0 0 0
- -2.3483 -0.0005 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-28342-33-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 48 1 V2000
- 0.6175 -0.0433 -0.0100 C 0 0 0
- -0.2125 -1.1634 0.0157 C 0 0 0
- 2.0184 -0.2276 0.0262 C 0 0 0
- 0.0916 1.2317 -0.0755 N 0 0 0
- -1.6745 -0.9733 -0.0264 C 0 0 0
- 0.3339 -2.4568 0.0802 C 0 0 0
- 2.5483 -1.5388 0.0879 C 0 0 0
- 2.8913 0.8711 0.0008 C 0 0 0
- -1.2325 1.4633 -0.1213 C 0 0 0
- 1.0091 2.3736 -0.0964 C 0 0 0
- -2.1795 0.3438 -0.0900 C 0 0 0
- -2.5508 -2.0524 -0.0052 C 0 0 0
- 1.6764 -2.6455 0.1156 C 0 0 0
- 3.9405 -1.7184 0.1198 C 0 0 0
- 4.2414 0.6681 0.0320 C 0 0 0
- -1.6467 2.6067 -0.1794 O 0 0 0
- -3.5616 0.5531 -0.1316 C 0 0 0
- -3.9127 -1.8317 -0.0469 C 0 0 0
- 4.7682 -0.6322 0.0912 C 0 0 0
- 5.2809 1.5545 0.0167 O 0 0 0
- -4.4192 -0.5402 -0.1093 C 0 0 0
- -4.0614 1.8140 -0.1928 O 0 0 0
- 6.1312 -0.5450 0.1102 O 0 0 0
- 6.4393 0.7831 -0.3503 C 0 0 0
- -5.7645 -0.3438 -0.1491 O 0 0 0
- -4.3951 2.1914 1.1445 C 0 0 0
- -6.3719 -1.6368 -0.1131 C 0 0 0
- -0.3015 -3.2834 0.0000 H 0 0 0
- 2.5093 1.8412 0.0000 H 0 0 0
- 1.8218 1.7206 0.0000 H 0 0 0
- 1.6621 3.1863 0.0000 H 0 0 0
- 0.1964 3.0266 0.0000 H 0 0 0
- -2.1796 -3.0266 0.0000 H 0 0 0
- 2.0650 -3.6129 0.0000 H 0 0 0
- 4.3423 -2.6804 0.0000 H 0 0 0
- -4.5673 -2.6431 0.0000 H 0 0 0
- 7.4194 0.4278 0.0000 H 0 0 0
- 6.9093 1.7137 0.0000 H 0 0 0
- -3.6141 2.8820 0.0000 H 0 0 0
- -5.0857 2.9724 0.0000 H 0 0 0
- -5.1761 1.5008 0.0000 H 0 0 0
- -7.3155 -1.1935 0.0000 H 0 0 0
- -6.8152 -2.5804 0.0000 H 0 0 0
- -5.4283 -2.0801 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 2 0
- 11 17 1 0
- 12 18 2 0
- 14 19 2 0
- 15 20 1 0
- 17 21 2 0
- 17 22 1 0
- 19 23 1 0
- 20 24 1 0
- 21 25 1 0
- 22 26 1 0
- 25 27 1 0
- 7 13 1 0
- 9 11 1 0
- 15 19 1 0
- 18 21 1 0
- 23 24 1 0
- 6 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 10 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 18 36 1 0
- 24 37 1 0
- 24 38 1 0
- 26 39 1 0
- 26 40 1 0
- 26 41 1 0
- 27 42 1 0
- 27 43 1 0
- 27 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96910-71-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -1.5559 -0.5359 0.0749 C 0 0 1
- -0.4544 -1.5659 -0.0615 C 0 0 1
- -1.1290 0.8933 -0.0503 C 0 0 0
- -1.3938 -1.3110 -1.2378 C 0 0 0
- -2.7487 -0.8243 0.9496 C 0 0 0
- 0.9496 -1.0671 -0.2496 C 0 0 1
- -0.6080 -2.8974 0.6762 C 0 0 0
- 0.0447 1.2447 -0.5430 C 0 0 0
- -2.0484 1.9422 0.3900 C 0 0 0
- -3.8657 -0.7009 0.5074 O 0 0 0
- 1.0548 0.2469 -1.0337 C 0 0 1
- 1.6327 -0.7454 1.0954 C 0 0 0
- -1.7705 3.1088 0.2064 O 0 0 0
- 2.4585 0.7861 -0.6620 C 0 0 0
- 0.9393 0.0224 -2.4403 O 0 0 0
- 2.8187 0.1613 0.6983 C 0 0 0
- 3.0117 1.2604 1.7451 C 0 0 0
- 4.0959 -0.6716 0.5719 C 0 0 0
- -2.3472 -1.3579 0.0000 H 0 0 0
- -1.4966 -2.2600 0.0000 H 0 0 0
- -2.6880 -1.7769 0.0000 H 0 0 0
- 1.3132 -1.9497 0.0000 H 0 0 0
- -1.5562 -2.7880 0.0000 H 0 0 0
- -0.7174 -3.8456 0.0000 H 0 0 0
- 0.3402 -3.0068 0.0000 H 0 0 0
- 0.2755 2.1709 0.0000 H 0 0 0
- -2.9749 1.7126 0.0000 H 0 0 0
- 1.6207 -1.6998 0.0000 H 0 0 0
- 2.4857 -1.1737 0.0000 H 0 0 0
- 3.3091 1.2191 0.0000 H 0 0 0
- 2.0703 1.6581 0.0000 H 0 0 0
- 0.5026 -0.8264 0.0000 H 0 0 0
- 3.9518 1.0953 0.0000 H 0 0 0
- 3.1768 2.2005 0.0000 H 0 0 0
- 2.0716 1.4255 0.0000 H 0 0 0
- 3.5745 -1.4711 0.0000 H 0 0 0
- 4.8954 -1.1930 0.0000 H 0 0 0
- 4.6173 0.1279 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 1 0
- 9 13 2 0
- 11 14 1 0
- 11 15 1 0
- 12 16 1 0
- 16 17 1 0
- 16 18 1 0
- 2 4 1 0
- 8 11 1 0
- 14 16 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 12 28 1 0
- 12 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-59-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.3084 -0.1965 0.0136 C 0 0 0
- -0.4571 -1.4094 -0.3590 C 0 0 0
- -0.7423 1.0467 -0.6876 C 0 0 0
- -2.7520 -0.4261 -0.4381 C 0 0 0
- -1.2708 0.0091 1.5293 C 0 0 0
- 0.9968 -1.1521 -0.0952 C 0 0 0
- 0.6669 1.2523 -0.1712 C 0 0 0
- 1.5158 0.0668 -0.0124 C 0 0 0
- 1.9129 -2.3350 0.0851 C 0 0 0
- 1.0795 2.3602 0.1018 O 0 0 0
- -1.4225 -1.8954 0.0000 H 0 0 0
- -0.1163 -2.4351 0.0000 H 0 0 0
- -0.6928 2.1264 0.0000 H 0 0 0
- -1.7930 1.3000 0.0000 H 0 0 0
- -2.9218 0.6413 0.0000 H 0 0 0
- -3.8194 -0.5959 0.0000 H 0 0 0
- -2.5822 -1.4935 0.0000 H 0 0 0
- -0.2076 -0.1853 0.0000 H 0 0 0
- -1.0764 1.0723 0.0000 H 0 0 0
- -2.3340 0.2035 0.0000 H 0 0 0
- 2.5902 0.1849 0.0000 H 0 0 0
- 1.0584 -2.9968 0.0000 H 0 0 0
- 2.5747 -3.1895 0.0000 H 0 0 0
- 2.7674 -1.6732 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 2 0
- 6 9 1 0
- 7 10 2 0
- 7 8 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 5 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-66-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- 0.3082 -0.2664 0.6212 C 0 0 0
- -1.3959 -0.3048 1.0677 S 0 0 0
- 1.0690 0.8541 0.9036 C 0 0 0
- 0.8809 -1.3595 -0.0052 C 0 0 0
- -2.2566 0.2980 -0.2122 N 0 0 0
- -1.7420 -1.6804 1.1521 O 0 0 0
- -1.5424 0.6459 2.1136 O 0 0 0
- 2.4039 0.8906 0.5572 C 0 0 0
- 2.2143 -1.3364 -0.3570 C 0 0 0
- -2.7377 -0.6042 -1.2614 C 0 0 0
- -2.5372 1.7335 -0.2952 C 0 0 0
- 2.9868 -0.2065 -0.0797 C 0 0 0
- -4.0373 -1.2702 -0.8050 C 0 0 0
- -1.4013 2.4325 -1.0450 C 0 0 0
- 4.4155 -0.1743 -0.4540 C 0 0 0
- -4.5397 -2.2125 -1.9007 C 0 0 0
- -1.6943 3.9317 -1.1317 C 0 0 0
- 4.9748 -1.2347 -1.0685 O 0 0 0
- 5.0859 0.8082 -0.2077 O 0 0 0
- 0.5887 1.7316 0.0000 H 0 0 0
- 0.3705 -2.2198 0.0000 H 0 0 0
- 2.9075 1.7549 0.0000 H 0 0 0
- 2.6888 -2.2170 0.0000 H 0 0 0
- -2.5858 -1.5929 0.0000 H 0 0 0
- -1.7516 -0.7722 0.0000 H 0 0 0
- -2.9561 2.6419 0.0000 H 0 0 0
- -3.4890 1.4259 0.0000 H 0 0 0
- -4.1892 -0.2815 0.0000 H 0 0 0
- -5.0234 -1.1023 0.0000 H 0 0 0
- -0.9824 1.5241 0.0000 H 0 0 0
- -0.4495 2.7401 0.0000 H 0 0 0
- -5.4224 -1.7419 0.0000 H 0 0 0
- -5.0103 -3.0952 0.0000 H 0 0 0
- -3.6570 -2.6831 0.0000 H 0 0 0
- -0.7126 4.1236 0.0000 H 0 0 0
- -1.8862 4.9134 0.0000 H 0 0 0
- -2.6760 3.7398 0.0000 H 0 0 0
- 5.4415 -2.1195 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 2 0
- 9 12 1 0
- 3 20 1 0
- 4 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.0001 -0.0187 -0.0122 C 0 0 0
- -1.2088 0.6837 -0.0004 C 0 0 0
- 1.2084 0.6840 -0.0008 C 0 0 0
- 0.0004 -1.4942 -0.0306 C 0 0 0
- -1.2006 2.0641 0.0225 C 0 0 0
- -2.7160 -0.1776 -0.0138 Cl 0 0 0
- 1.1997 2.0648 0.0221 C 0 0 0
- 2.7159 -0.1768 -0.0148 Cl 0 0 0
- 0.0035 -2.1824 1.1277 O 0 0 0
- -0.0023 -2.0886 -1.0902 O 0 0 0
- -0.0004 2.7524 0.0337 C 0 0 0
- -2.0969 2.5869 0.0000 H 0 0 0
- 2.0958 2.5879 0.0000 H 0 0 0
- 0.0082 -3.2201 0.0000 H 0 0 0
- -0.0006 3.7901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 7 11 2 0
- 5 12 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106-42-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.3823 0.0001 0.0019 C 0 0 0
- -0.6911 -1.1972 0.0013 C 0 0 0
- -0.6913 1.1971 0.0014 C 0 0 0
- -2.8893 0.0001 -0.0034 C 0 0 0
- 0.6911 -1.1972 0.0003 C 0 0 0
- 0.6913 1.1971 0.0004 C 0 0 0
- 1.3823 0.0001 -0.0002 C 0 0 0
- 2.8893 0.0001 -0.0018 C 0 0 0
- -1.2096 -2.0951 0.0000 H 0 0 0
- -1.2098 2.0950 0.0000 H 0 0 0
- -2.8893 1.0370 0.0000 H 0 0 0
- -3.9262 0.0001 0.0000 H 0 0 0
- -2.8893 -1.0368 0.0000 H 0 0 0
- 1.2096 -2.0951 0.0000 H 0 0 0
- 1.2098 2.0950 0.0000 H 0 0 0
- 2.8893 -1.0368 0.0000 H 0 0 0
- 3.9262 0.0001 0.0000 H 0 0 0
- 2.8893 1.0370 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 7 8 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23246-96-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 50 1 V2000
- -3.2088 0.2254 0.7001 C 0 0 1
- -2.7790 -1.0090 -0.1172 C 0 0 2
- -2.0242 1.1498 0.8272 C 0 0 0
- -4.2057 0.9576 -0.1591 N 0 0 0
- -1.3509 -0.9981 -0.3663 O 0 0 0
- -3.5337 -0.8741 -1.4693 C 0 0 0
- -0.6718 0.7547 1.3588 C 0 0 0
- -2.3523 2.3558 0.4394 C 0 0 0
- -3.7011 0.6735 -1.5498 C 0 0 0
- -3.8115 2.3789 0.0612 C 0 0 0
- -0.5652 -1.9875 0.0969 C 0 0 0
- 0.2996 0.7129 0.2832 O 0 0 0
- 0.8252 -2.1044 -0.3623 C 0 0 0
- -1.0074 -2.7869 0.8984 O 0 0 0
- 1.5829 1.0239 0.5404 C 0 0 0
- 1.3375 -1.2067 -1.4584 C 0 0 0
- 1.6339 -3.0047 0.1912 C 0 0 0
- 2.6155 0.8750 -0.5485 C 0 0 2
- 1.9057 1.4192 1.6356 O 0 0 0
- 2.6259 -0.5585 -1.0202 C 0 0 0
- 1.6075 -3.2259 1.6817 C 0 0 0
- 3.9953 1.2437 0.0002 C 0 0 0
- 2.2882 1.7377 -1.6396 O 0 0 0
- 3.7474 -1.2349 -1.0491 C 0 0 0
- 3.9796 2.5972 0.4583 O 0 0 0
- -3.9973 -0.3570 0.0000 H 0 0 0
- -2.8619 -1.9858 0.0000 H 0 0 0
- -4.5139 -0.8867 0.0000 H 0 0 0
- -3.6140 -1.8511 0.0000 H 0 0 0
- -1.3237 0.0225 0.0000 H 0 0 0
- -0.2899 -0.1482 0.0000 H 0 0 0
- -1.7509 3.1299 0.0000 H 0 0 0
- -2.7256 0.5765 0.0000 H 0 0 0
- -3.4058 1.6083 0.0000 H 0 0 0
- -3.7129 3.3542 0.0000 H 0 0 0
- -4.7750 2.5598 0.0000 H 0 0 0
- 1.2028 -0.2357 0.0000 H 0 0 0
- 0.3749 -1.0212 0.0000 H 0 0 0
- 2.5685 -2.7089 0.0000 H 0 0 0
- 0.6341 -3.1097 0.0000 H 0 0 0
- 1.4913 -4.1993 0.0000 H 0 0 0
- 2.5809 -3.3421 0.0000 H 0 0 0
- 4.1688 0.2789 0.0000 H 0 0 0
- 4.9712 1.3365 0.0000 H 0 0 0
- 1.9405 2.6543 0.0000 H 0 0 0
- 3.7287 -2.2150 0.0000 H 0 0 0
- 4.6056 -0.7611 0.0000 H 0 0 0
- 3.9682 3.5774 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 20 24 2 0
- 22 25 1 0
- 6 9 1 0
- 8 10 1 0
- 18 20 1 0
- 1 26 1 0
- 2 27 1 0
- 6 28 1 0
- 6 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 25 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.2198 0.4270 -0.2904 C 0 0 0
- 0.2775 -0.8250 -0.6277 C 0 0 0
- 0.6325 1.3997 0.2143 C 0 0 0
- -1.5812 0.7104 -0.4649 N 0 0 0
- 1.6195 -1.1025 -0.4613 C 0 0 0
- 1.9750 1.1225 0.3810 C 0 0 0
- -2.5125 -0.0826 0.1009 C 0 0 0
- 2.4725 -0.1293 0.0437 C 0 0 0
- -3.9735 0.1449 -0.1903 C 0 0 0
- -2.1748 -0.9795 0.8444 O 0 0 0
- 3.8325 -0.4102 0.2120 N 0 0 0
- -0.3721 -1.5989 0.0000 H 0 0 0
- 0.3110 2.3575 0.0000 H 0 0 0
- -1.8312 1.6893 0.0000 H 0 0 0
- 1.9408 -2.0604 0.0000 H 0 0 0
- 2.6244 1.8965 0.0000 H 0 0 0
- -3.8180 1.1432 0.0000 H 0 0 0
- -4.9718 0.3004 0.0000 H 0 0 0
- -4.1290 -0.8534 0.0000 H 0 0 0
- 4.1502 -1.3693 0.0000 H 0 0 0
- 4.5042 0.3445 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 6 8 2 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71-23-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.6718 -0.5310 0.0000 C 0 0 0
- -0.4330 0.5275 0.0000 C 0 0 0
- 2.0380 0.1578 0.0000 C 0 0 0
- -1.7090 -0.1158 0.0000 O 0 0 0
- -0.2106 -1.2645 0.0000 H 0 0 0
- 1.3009 -1.4907 0.0000 H 0 0 0
- 0.4494 1.2610 0.0000 H 0 0 0
- -1.0621 1.4872 0.0000 H 0 0 0
- 2.5546 -0.8669 0.0000 H 0 0 0
- 3.0627 0.6744 0.0000 H 0 0 0
- 1.5214 1.1825 0.0000 H 0 0 0
- -2.7337 -0.6324 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1929-82-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0046 0.4781 -0.0041 C 0 0 0
- -1.0679 -0.3024 -0.0029 N 0 0 0
- -0.1369 1.8532 -0.0031 C 0 0 0
- 1.3709 -0.1375 -0.0002 C 0 0 0
- -2.2912 0.1922 -0.0008 C 0 0 0
- -1.4071 2.4107 -0.0009 C 0 0 0
- 2.6139 1.1685 -0.0029 Cl 0 0 0
- 1.5703 -1.1539 1.4756 Cl 0 0 0
- 1.5743 -1.1637 -1.4686 Cl 0 0 0
- -2.5010 1.5601 0.0002 C 0 0 0
- -3.6526 -0.8850 0.0001 Cl 0 0 0
- 0.7039 2.4618 0.0000 H 0 0 0
- -1.5351 3.4407 0.0000 H 0 0 0
- -3.4653 1.9440 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 10 2 0
- 3 12 1 0
- 6 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-02-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- -1.2982 0.6911 0.0000 C 0 0 0
- -1.2982 -0.6911 0.0000 C 0 0 0
- -0.1128 1.3485 0.0000 C 0 0 0
- -0.1128 -1.3485 0.0000 C 0 0 0
- 1.0572 0.0000 0.0000 S 0 0 0
- -2.1915 1.2171 0.0000 H 0 0 0
- -2.1915 -1.2171 0.0000 H 0 0 0
- 0.0676 2.3693 0.0000 H 0 0 0
- 0.0676 -2.3693 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 2 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.3957 -0.3382 -0.0045 C 0 0 0
- -1.3227 -0.7279 -0.0152 S 0 0 0
- 1.0464 -0.1148 1.1948 C 0 0 0
- 1.0943 -0.2614 -1.1946 C 0 0 0
- -2.0635 0.4651 0.5717 O 0 0 0
- -1.6982 -0.7799 -1.3847 O 0 0 0
- -1.4852 -1.7828 0.9229 O 0 0 0
- 2.3942 0.1910 1.2032 C 0 0 0
- 2.4426 0.0444 -1.1862 C 0 0 0
- -1.8907 1.5494 -0.3430 C 0 0 0
- 3.0918 0.2734 0.0123 C 0 0 0
- -2.6151 2.7870 0.1904 C 0 0 0
- 4.5615 0.6067 0.0215 C 0 0 0
- 0.8213 0.6773 0.0000 H 0 0 0
- 1.2306 -1.0735 0.0000 H 0 0 0
- 2.2546 1.0026 0.0000 H 0 0 0
- 2.6710 -0.7468 0.0000 H 0 0 0
- -1.1501 1.1894 0.0000 H 0 0 0
- -1.3313 2.1537 0.0000 H 0 0 0
- -1.9044 3.2030 0.0000 H 0 0 0
- -3.0311 3.4977 0.0000 H 0 0 0
- -3.3258 2.3710 0.0000 H 0 0 0
- 4.7436 -0.1964 0.0000 H 0 0 0
- 5.3646 0.7888 0.0000 H 0 0 0
- 4.3794 1.4098 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 1 0
- 9 11 2 0
- 3 14 1 0
- 4 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77-79-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.5999 0.0000 0.0118 S 0 0 0
- 0.6094 -1.3738 -0.2278 C 0 0 0
- 0.6094 1.3738 -0.2278 C 0 0 0
- -1.5366 0.0000 -1.0567 O 0 0 0
- -1.0584 0.0000 1.3568 O 0 0 0
- 1.9199 -0.6440 0.0121 C 0 0 0
- 1.9199 0.6440 0.0121 C 0 0 0
- -0.2858 -2.0552 0.0000 H 0 0 0
- 1.2253 -2.3152 0.0000 H 0 0 0
- 1.2253 2.3152 0.0000 H 0 0 0
- -0.2858 2.0552 0.0000 H 0 0 0
- 2.8898 -1.2140 0.0000 H 0 0 0
- 2.8898 1.2140 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 6 7 2 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.5745 -0.0083 0.0326 C 0 0 0
- -0.5915 -0.7525 0.0292 C 0 0 0
- 0.5135 1.3748 0.0093 C 0 0 0
- 2.1376 -0.8204 0.0738 S 0 0 0
- -1.8198 -0.1194 0.0027 C 0 0 0
- -0.7246 2.0140 -0.0175 C 0 0 0
- 1.6591 2.1079 0.0131 O 0 0 0
- 2.6828 -0.8305 -1.3472 O 0 0 0
- 2.9985 0.0364 0.8115 O 0 0 0
- 1.8594 -2.1774 0.3903 O 0 0 0
- -1.8894 1.2613 -0.0207 C 0 0 0
- -3.0637 -0.9215 -0.0013 N 0 3 0
- -0.7923 3.4118 -0.0406 N 0 0 0
- -4.1470 -0.3651 -0.0247 O 0 0 0
- -3.0041 -2.1378 0.0189 O 0 5 0
- -0.5437 -1.7888 0.0000 H 0 0 0
- 2.5329 2.6671 0.0000 H 0 0 0
- 3.7201 -0.8497 0.0000 H 0 0 0
- -2.8128 1.7343 0.0000 H 0 0 0
- 0.0800 3.9734 0.0000 H 0 0 0
- -1.7148 3.8864 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 2 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 12 14 2 0
- 12 15 1 0
- 6 11 2 0
- 2 16 1 0
- 7 17 1 0
- 8 18 1 0
- 11 19 1 0
- 13 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20589-63-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.4975 0.2657 0.0212 C 0 0 0
- 0.0187 -1.0486 -0.0173 C 0 0 0
- 0.3697 1.3804 0.0471 C 0 0 0
- -1.8967 0.4681 0.0280 C 0 0 0
- 1.4199 -1.2507 -0.0301 C 0 0 0
- -0.8744 -2.1441 -0.0429 C 0 0 0
- 1.7709 1.1783 0.0345 C 0 0 0
- -0.1760 2.6839 0.0849 C 0 0 0
- -2.7562 -0.6443 -0.0032 C 0 0 0
- -2.4056 1.7784 0.0662 C 0 0 0
- 2.2871 -0.1359 -0.0041 C 0 0 0
- 1.9664 -2.5539 -0.0692 C 0 0 0
- -2.2333 -1.9309 -0.0305 C 0 0 0
- 2.6633 2.2743 0.0596 C 0 0 0
- -1.5397 2.8641 0.0963 C 0 0 0
- -4.2232 -0.4439 0.0036 N 0 3 0
- 3.6864 -0.3374 -0.0174 C 0 0 0
- 3.3302 -2.7334 -0.0817 C 0 0 0
- 4.0223 2.0618 0.0464 C 0 0 0
- -4.9235 -1.0960 0.7572 O 0 0 0
- -4.8121 0.5059 -0.8660 O 0 5 0
- 4.1958 -1.6474 -0.0559 C 0 0 0
- 4.5455 0.7755 0.0087 C 0 0 0
- -0.4974 -3.1288 0.0000 H 0 0 0
- 0.4645 3.5215 0.0000 H 0 0 0
- -3.4480 1.9374 0.0000 H 0 0 0
- 1.3263 -3.3919 0.0000 H 0 0 0
- -2.8883 -2.7573 0.0000 H 0 0 0
- 2.2858 3.2588 0.0000 H 0 0 0
- -1.9338 3.8421 0.0000 H 0 0 0
- 3.7247 -3.7112 0.0000 H 0 0 0
- 4.6769 2.8884 0.0000 H 0 0 0
- 5.2382 -1.8061 0.0000 H 0 0 0
- 5.5903 0.6330 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 14 19 1 0
- 16 20 2 0
- 16 21 1 0
- 17 22 1 0
- 17 23 1 0
- 7 11 1 0
- 9 13 2 0
- 10 15 2 0
- 18 22 2 0
- 19 23 2 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 18 31 1 0
- 19 32 1 0
- 22 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-642-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.2929 0.0607 0.9792 C 0 0 1
- -0.5792 -1.0811 0.3792 C 0 0 1
- 1.7214 -0.4115 0.6355 C 0 0 1
- -0.0183 1.2389 0.1893 O 0 0 0
- -1.7431 -0.2792 -0.2471 C 0 0 2
- 0.2365 -1.6254 -0.6989 O 0 0 0
- 1.5369 -1.4938 -0.4050 C 0 0 0
- 2.4702 0.6911 0.0595 O 0 0 0
- -1.1523 1.0894 -0.5040 C 0 0 0
- -2.8255 -0.1665 0.7141 O 0 0 0
- 2.4292 -2.1429 -0.8974 O 0 0 0
- 3.8002 0.7594 0.2273 C 0 0 0
- -1.6346 1.9259 -1.2302 O 0 0 0
- -4.0955 -0.0816 0.2879 C 0 0 0
- 4.5773 1.9038 -0.3706 C 0 0 0
- 4.3743 -0.0967 0.8576 O 0 0 0
- -5.2189 0.0353 1.2856 C 0 0 0
- -4.3379 -0.0990 -0.8956 O 0 0 0
- -0.6034 0.2396 0.0000 H 0 0 0
- -1.0921 -1.8376 0.0000 H 0 0 0
- 2.5692 -0.7528 0.0000 H 0 0 0
- -2.0595 -1.1366 0.0000 H 0 0 0
- 5.3334 1.3904 0.0000 H 0 0 0
- 5.0907 2.6599 0.0000 H 0 0 0
- 3.8212 2.4172 0.0000 H 0 0 0
- -5.1243 0.9443 0.0000 H 0 0 0
- -6.1279 0.1299 0.0000 H 0 0 0
- -5.3135 -0.8737 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 12 15 1 0
- 12 16 2 0
- 14 17 1 0
- 14 18 2 0
- 5 9 1 0
- 6 7 1 0
- 1 19 1 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6795-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -2.1794 0.7080 -0.0020 C 0 0 0
- -2.3681 -0.6917 -0.0012 C 0 0 0
- -0.9351 1.2123 -0.0019 N 0 3 0
- -3.3007 1.5540 0.0029 C 0 0 0
- -1.2774 -1.5194 -0.0008 N 0 3 0
- -3.6624 -1.2107 -0.0014 C 0 0 0
- 0.1177 0.3956 -0.0010 C 0 0 0
- -0.7684 2.4188 -0.0029 O 0 5 0
- -4.5525 1.0153 0.0084 C 0 0 0
- -0.0522 -0.9888 -0.0011 C 0 0 0
- -1.4473 -2.9251 0.0004 O 0 5 0
- -4.7338 -0.3642 -0.0022 C 0 0 0
- 1.4780 0.9619 -0.0008 C 0 0 0
- 2.5094 0.1734 0.0000 N 0 0 0
- 3.8028 0.7118 0.0002 N 0 0 0
- 4.8735 -0.1068 0.0011 C 0 0 0
- 6.2648 0.4724 0.0012 C 0 0 0
- 4.7173 -1.3097 0.0017 O 0 0 0
- -3.1778 2.5735 0.0000 H 0 0 0
- -3.8094 -2.2270 0.0000 H 0 0 0
- -5.3715 1.6348 0.0000 H 0 0 0
- 0.7702 -1.6038 0.0000 H 0 0 0
- -5.6853 -0.7506 0.0000 H 0 0 0
- 1.6102 1.9803 0.0000 H 0 0 0
- 3.9351 1.7301 0.0000 H 0 0 0
- 6.6595 -0.4756 0.0000 H 0 0 0
- 7.2128 0.8671 0.0000 H 0 0 0
- 5.8701 1.4204 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 7 10 1 0
- 9 12 1 0
- 4 19 1 0
- 6 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-874-86-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -2.2721 0.0049 -0.9117 C 0 0 0
- -3.2177 -0.0032 0.6234 Cl 0 0 0
- -0.7989 0.0031 -0.5943 C 0 0 0
- -0.1259 -1.1976 -0.4556 C 0 0 0
- -0.1244 1.2026 -0.4484 C 0 0 0
- 1.2229 -1.2065 -0.1655 C 0 0 0
- 1.2240 1.2083 -0.1584 C 0 0 0
- 1.9085 -0.0001 -0.0118 C 0 0 0
- 3.3085 -0.0017 0.2893 C 0 0 0
- 4.4191 -0.0031 0.5283 N 0 0 0
- -1.7578 0.8999 0.0000 H 0 0 0
- -2.7929 0.8961 0.0000 H 0 0 0
- -0.6506 -2.0865 0.0000 H 0 0 0
- -0.6475 2.0925 0.0000 H 0 0 0
- 1.7391 -2.1004 0.0000 H 0 0 0
- 1.7419 2.1012 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 10 9 3 0
- 7 8 1 0
- 1 11 1 0
- 1 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64-02-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 35 1 V2000
- -5.6616 -1.4751 0.0755 N 0 0 0
- -6.9525 -0.7976 0.2555 C 0 0 0
- -4.7584 -0.9428 1.1045 C 0 0 0
- -5.8798 -2.8917 0.3973 C 0 0 0
- -6.7966 0.6903 -0.0650 C 0 0 0
- -3.3294 -1.1305 0.6643 C 0 0 0
- -6.3070 -3.6292 -0.8456 C 0 0 0
- -8.0876 1.3678 0.1150 N 0 0 0
- -2.4134 -0.8668 1.4313 O 0 0 0
- -3.0852 -1.5465 -0.4601 O 0 0 0
- -6.6509 -4.8010 -0.7737 O 0 0 0
- -6.3098 -3.0559 -1.9265 O 0 0 0
- -8.4015 1.3041 1.5487 C 0 0 0
- -7.8694 2.7844 -0.2068 C 0 0 0
- -9.8891 1.4452 1.7439 C 0 0 0
- -8.1664 3.0197 -1.6654 C 0 0 0
- -10.6344 1.4626 0.7739 O 0 0 0
- -10.3515 1.5424 2.8725 O 0 0 0
- -8.0528 4.1417 -2.1395 O 0 0 0
- -8.5212 2.0886 -2.3754 O 0 0 0
- 7.7853 -0.2269 0.1059 Na 0 3 0
- 16.4404 0.0682 0.0620 Na 0 3 0
- 25.0955 0.3633 0.0181 Na 0 3 0
- 33.7506 0.6584 -0.0257 Na 0 3 0
- -7.7180 -0.6178 0.0000 H 0 0 0
- -7.2273 -1.5343 0.0000 H 0 0 0
- -4.4284 -0.2291 0.0000 H 0 0 0
- -5.3413 -0.4151 0.0000 H 0 0 0
- -5.4063 -3.5194 0.0000 H 0 0 0
- -5.1173 -2.6997 0.0000 H 0 0 0
- -6.0311 0.5105 0.0000 H 0 0 0
- -6.5218 1.4270 0.0000 H 0 0 0
- -8.7921 0.6217 0.0000 H 0 0 0
- -7.9411 0.6667 0.0000 H 0 0 0
- -7.1243 2.5332 0.0000 H 0 0 0
- -7.4941 3.4753 0.0000 H 0 0 0
- -2.6871 -2.2246 0.0000 H 0 0 0
- -6.3136 -2.2696 0.0000 H 0 0 0
- -11.1210 1.7041 0.0000 H 0 0 0
- -8.8012 1.3538 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 2 25 1 0
- 2 26 1 0
- 3 27 1 0
- 3 28 1 0
- 4 29 1 0
- 4 30 1 0
- 5 31 1 0
- 5 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 10 37 1 0
- 12 38 1 0
- 18 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54-05-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 49 1 V2000
- -1.9078 -0.0131 0.1009 C 0 0 0
- -2.7577 -1.1277 0.2985 C 0 0 0
- -0.5438 -0.1199 0.4623 C 0 0 0
- -2.4284 1.1709 -0.4401 C 0 0 0
- -2.2667 -2.2581 0.8191 N 0 0 0
- -4.1127 -1.0248 -0.0594 C 0 0 0
- -0.1066 -1.3223 0.9964 C 0 0 0
- 0.3278 0.9440 0.2875 N 0 0 0
- -3.7482 1.2374 -0.7706 C 0 0 0
- -1.0031 -2.3692 1.1578 C 0 0 0
- -4.5860 0.1383 -0.5879 C 0 0 0
- 1.0995 1.4531 1.4240 C 0 0 0
- -6.2610 0.2579 -1.0283 Cl 0 0 0
- 2.4998 1.8503 0.9526 C 0 0 0
- 0.3936 2.6762 2.0127 C 0 0 0
- 3.2057 0.6272 0.3638 C 0 0 0
- 4.6060 1.0244 -0.1076 C 0 0 0
- 5.2838 -0.1500 -0.6729 N 0 0 0
- 6.6149 0.2976 -1.1037 C 0 0 0
- 5.4930 -1.0909 0.4356 C 0 0 0
- 6.7808 0.0361 -2.6020 C 0 0 0
- 5.0797 -2.4969 -0.0040 C 0 0 0
- -1.8461 2.0158 0.0000 H 0 0 0
- -4.7173 -1.8539 0.0000 H 0 0 0
- 0.9030 -1.5057 0.0000 H 0 0 0
- -0.3594 1.7060 0.0000 H 0 0 0
- -4.1802 2.1682 0.0000 H 0 0 0
- -0.6154 -3.3193 0.0000 H 0 0 0
- 1.5271 0.5203 0.0000 H 0 0 0
- 3.4277 2.2884 0.0000 H 0 0 0
- 2.1395 2.8111 0.0000 H 0 0 0
- 1.2823 3.1891 0.0000 H 0 0 0
- -0.1193 3.5649 0.0000 H 0 0 0
- -0.4951 2.1633 0.0000 H 0 0 0
- 2.2778 0.1891 0.0000 H 0 0 0
- 3.5660 -0.3336 0.0000 H 0 0 0
- 5.5339 1.4625 0.0000 H 0 0 0
- 4.2457 1.9852 0.0000 H 0 0 0
- 7.5227 0.7760 0.0000 H 0 0 0
- 6.2109 1.2408 0.0000 H 0 0 0
- 6.3153 -1.7047 0.0000 H 0 0 0
- 6.3546 -0.5336 0.0000 H 0 0 0
- 5.9143 -0.5136 0.0000 H 0 0 0
- 7.3305 -0.8304 0.0000 H 0 0 0
- 7.6473 0.5858 0.0000 H 0 0 0
- 4.0952 -2.2075 0.0000 H 0 0 0
- 4.7903 -3.4814 0.0000 H 0 0 0
- 6.0642 -2.7863 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 7 10 2 0
- 9 11 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 12 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
- 17 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 22 48 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-607-57-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.4991 -0.4949 -0.0007 C 0 0 0
- -1.9809 -0.4162 -0.0004 C 0 0 0
- 0.0335 0.7916 0.0002 C 0 0 0
- 0.3626 -1.5929 0.0037 C 0 0 0
- -2.3743 0.9190 0.0005 C 0 0 0
- -2.9544 -1.4171 -0.0014 C 0 0 0
- -1.1224 1.7617 0.0010 C 0 0 0
- 1.3993 0.9782 0.0001 C 0 0 0
- 1.7283 -1.3967 0.0023 C 0 0 0
- -3.7132 1.2491 0.0005 C 0 0 0
- -4.2911 -1.0777 -0.0014 C 0 0 0
- 2.2479 -0.1150 -0.0008 C 0 0 0
- -4.6724 0.2522 -0.0004 C 0 0 0
- 3.7142 0.0878 -0.0008 N 0 3 0
- 4.4620 -0.8736 -0.0016 O 0 0 0
- 4.1729 1.2161 -0.0001 O 0 5 0
- -0.0236 -2.5561 0.0000 H 0 0 0
- -2.6723 -2.4158 0.0000 H 0 0 0
- -0.3841 2.4910 0.0000 H 0 0 0
- -1.7796 2.5648 0.0000 H 0 0 0
- 1.7914 1.9390 0.0000 H 0 0 0
- 2.3680 -2.2139 0.0000 H 0 0 0
- -4.0015 2.2460 0.0000 H 0 0 0
- -5.0136 -1.8226 0.0000 H 0 0 0
- -5.6796 0.5024 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 2 0
- 14 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72076-98-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 33 1 V2000
- -0.2602 -0.0912 0.0016 C 0 0 0
- -1.6160 0.1970 -0.0009 C 0 0 0
- 0.6852 0.9481 0.0056 C 0 0 0
- 0.1215 -1.4496 0.0058 C 0 0 0
- -2.5177 -0.8776 -0.0076 C 0 0 0
- -2.0690 1.5340 0.0029 C 0 0 0
- 2.0952 0.5663 0.0006 C 0 0 0
- 0.2270 2.2777 0.0130 C 0 0 0
- -1.4454 -2.2939 0.0064 S 0 0 0
- 1.4239 -1.8039 0.0070 C 0 0 0
- -3.8630 -0.6283 -0.0140 C 0 0 0
- -1.1045 2.5652 0.0126 C 0 0 0
- -3.4515 1.7533 -0.0038 C 0 0 0
- 2.4320 -0.8122 -0.0001 C 0 0 0
- 3.1122 1.5256 -0.0051 C 0 0 0
- -4.3152 0.6913 -0.0123 C 0 0 0
- 3.7883 -1.1817 -0.0034 C 0 0 0
- 4.4175 1.1302 -0.0100 C 0 0 0
- 4.7529 -0.2206 -0.0089 C 0 0 0
- 0.9253 3.0646 0.0000 H 0 0 0
- 1.6901 -2.8218 0.0000 H 0 0 0
- -4.5503 -1.4248 0.0000 H 0 0 0
- -1.4185 3.5693 0.0000 H 0 0 0
- -3.8274 2.7360 0.0000 H 0 0 0
- 2.8713 2.5497 0.0000 H 0 0 0
- -5.3510 0.8758 0.0000 H 0 0 0
- 4.0576 -2.1988 0.0000 H 0 0 0
- 5.1801 1.8550 0.0000 H 0 0 0
- 5.7663 -0.5032 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 11 16 1 0
- 14 17 1 0
- 15 18 2 0
- 17 19 2 0
- 5 9 1 0
- 8 12 2 0
- 10 14 1 0
- 13 16 2 0
- 18 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17418-58-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- 0.8048 0.7364 0.1897 C 0 0 0
- 0.7297 -0.6753 0.2187 C 0 0 0
- 2.1206 1.3975 0.2012 C 0 0 0
- -0.3682 1.4903 0.1446 C 0 0 0
- 1.9671 -1.4695 0.2601 C 0 0 0
- -0.5180 -1.3040 0.2074 C 0 0 0
- 3.3338 0.5939 -0.0642 C 0 0 0
- 2.2088 2.5895 0.4257 O 0 0 0
- -1.6140 0.8389 0.1282 C 0 0 0
- -0.3057 2.8752 0.1167 N 0 0 0
- 3.2584 -0.8111 -0.0352 C 0 0 0
- 1.9290 -2.6540 0.5344 O 0 0 0
- -1.6815 -0.5395 0.1672 C 0 0 0
- -0.5960 -2.6574 0.2351 O 0 0 0
- 4.5472 1.2141 -0.3424 C 0 0 0
- -2.7568 1.5693 0.0837 O 0 0 0
- 4.3981 -1.5679 -0.2854 C 0 0 0
- 5.6717 0.4460 -0.5883 C 0 0 0
- -3.7791 0.6895 -0.0799 C 0 0 0
- 5.5974 -0.9349 -0.5611 C 0 0 0
- -4.4584 0.1994 1.0268 C 0 0 0
- -4.1497 0.2838 -1.3540 C 0 0 0
- -5.4975 -0.6944 0.8575 C 0 0 0
- -5.1899 -0.6105 -1.5176 C 0 0 0
- -5.8614 -1.1012 -0.4132 C 0 0 0
- 0.6072 3.3487 0.0000 H 0 0 0
- -1.1722 3.4290 0.0000 H 0 0 0
- -2.5983 -1.0055 0.0000 H 0 0 0
- -0.6552 -3.6841 0.0000 H 0 0 0
- 4.6123 2.2404 0.0000 H 0 0 0
- 4.3464 -2.5950 0.0000 H 0 0 0
- 6.5937 0.9015 0.0000 H 0 0 0
- 6.4635 -1.4894 0.0000 H 0 0 0
- -5.0952 1.0070 0.0000 H 0 0 0
- -3.4335 -0.4542 0.0000 H 0 0 0
- -6.2176 0.0398 0.0000 H 0 0 0
- -4.5508 -1.4162 0.0000 H 0 0 0
- -6.6236 -1.7916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 9 16 1 0
- 11 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 19 22 2 0
- 21 23 2 0
- 22 24 1 0
- 23 25 1 0
- 7 11 1 0
- 9 13 2 0
- 18 20 2 0
- 24 25 2 0
- 10 26 1 0
- 10 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
- 23 36 1 0
- 24 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141511-30-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 46 1 V2000
- -0.2630 -0.0490 0.0691 C 0 0 0
- -1.7434 -0.1291 0.0573 C 0 0 0
- 0.3435 1.2078 0.1076 C 0 0 0
- 0.5130 -1.2049 0.0482 C 0 0 0
- -2.4790 0.9992 -0.3045 C 0 0 0
- -2.3974 -1.3079 0.4010 C 0 0 0
- 1.7183 1.3045 0.1105 C 0 0 0
- -0.5051 2.4495 0.1537 C 0 0 0
- 1.8875 -1.1085 0.0572 C 0 0 0
- -1.7674 2.2693 -0.6846 C 0 0 0
- -3.8578 0.9417 -0.3133 C 0 0 0
- -3.7775 -1.3536 0.3860 C 0 0 0
- 2.4940 0.1489 0.0829 C 0 0 0
- 2.7361 -2.3510 0.0442 C 0 0 0
- -4.5047 -0.2314 0.0312 C 0 0 0
- 3.9743 0.2307 0.0819 C 0 0 0
- 4.0037 -2.1287 -0.7757 C 0 0 0
- -5.9839 -0.2864 0.0204 N 0 3 0
- 4.7127 -0.8780 -0.3312 C 0 0 0
- 4.6253 1.3919 0.4858 C 0 0 0
- -6.5572 -1.3175 0.3231 O 0 0 0
- -6.6277 0.6995 -0.2911 O 0 5 0
- 6.0915 -0.8194 -0.3294 C 0 0 0
- 6.0054 1.4393 0.4804 C 0 0 0
- 6.7354 0.3362 0.0751 C 0 0 0
- 0.0584 -2.1347 0.0000 H 0 0 0
- -1.8576 -2.1910 0.0000 H 0 0 0
- 2.1729 2.2343 0.0000 H 0 0 0
- 0.4282 2.8968 0.0000 H 0 0 0
- -0.8054 3.4400 0.0000 H 0 0 0
- -1.6891 3.3013 0.0000 H 0 0 0
- -2.7582 2.5684 0.0000 H 0 0 0
- -4.4025 1.8217 0.0000 H 0 0 0
- -4.2567 -2.2710 0.0000 H 0 0 0
- 1.8075 -2.8080 0.0000 H 0 0 0
- 3.0572 -3.3349 0.0000 H 0 0 0
- 3.9456 -3.1621 0.0000 H 0 0 0
- 4.9967 -2.4206 0.0000 H 0 0 0
- 4.0869 2.2758 0.0000 H 0 0 0
- 6.6346 -1.7004 0.0000 H 0 0 0
- 6.4796 2.3593 0.0000 H 0 0 0
- 7.7696 0.3757 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 20 24 2 0
- 23 25 2 0
- 8 10 1 0
- 9 13 1 0
- 12 15 1 0
- 17 19 1 0
- 24 25 1 0
- 4 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 11 33 1 0
- 12 34 1 0
- 14 35 1 0
- 14 36 1 0
- 17 37 1 0
- 17 38 1 0
- 20 39 1 0
- 23 40 1 0
- 24 41 1 0
- 25 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.3121 0.7032 -0.0021 C 0 0 0
- -0.3121 -0.7032 -0.0016 C 0 0 0
- 0.9771 1.4277 -0.0008 C 0 0 0
- -1.5183 1.3934 0.0018 C 0 0 0
- 0.9771 -1.4277 0.0003 C 0 0 0
- -1.5183 -1.3934 -0.0024 C 0 0 0
- 2.2428 0.6699 0.0011 C 0 0 0
- 0.9938 2.6424 -0.0017 O 0 0 0
- -2.7134 0.6908 0.0063 C 0 0 0
- 2.2428 -0.6698 0.0017 C 0 0 0
- 0.9938 -2.6424 0.0012 O 0 0 0
- -2.7134 -0.6908 -0.0037 C 0 0 0
- -1.5244 2.4357 0.0000 H 0 0 0
- -1.5244 -2.4357 0.0000 H 0 0 0
- 3.1496 1.1839 0.0000 H 0 0 0
- -3.6181 1.2084 0.0000 H 0 0 0
- 3.1496 -1.1837 0.0000 H 0 0 0
- -3.6181 -1.2084 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 10 2 0
- 9 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-54083-22-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 87 1 V2000
- 0.8312 1.2707 -0.4481 C 0 0 0
- 1.1678 -0.0173 -0.7805 C 0 0 0
- 1.8241 2.1754 -0.0500 C 0 0 0
- -0.5874 1.7774 -0.4984 C 0 0 0
- 0.1444 -1.0388 -1.2059 C 0 0 2
- 2.5062 -0.4290 -0.7288 C 0 0 0
- 3.1595 1.7808 0.0082 C 0 0 0
- 1.4831 3.4455 0.2811 O 0 0 0
- -1.5748 0.6128 -0.5185 C 0 0 2
- -1.1541 -0.3564 -1.6299 C 0 0 0
- -0.1222 -1.9212 -0.1140 O 0 0 0
- 3.5057 0.4587 -0.3364 C 0 0 0
- 2.8314 -1.7025 -1.0632 O 0 0 0
- 4.2036 2.7324 0.4250 C 0 0 0
- -2.9636 1.1291 -0.7938 C 0 0 0
- -1.5522 -0.0597 0.7421 O 0 0 0
- 0.1934 -3.2407 -0.5628 C 0 0 1
- 4.9132 0.0259 -0.2804 C 0 0 0
- 5.6152 2.2985 0.4787 C 0 0 0
- 3.9049 3.8725 0.7238 O 0 0 0
- -3.9009 0.9287 0.0548 N 0 0 0
- -3.2490 1.8814 -2.0680 C 0 0 0
- 0.4785 -4.1358 0.6453 C 0 0 0
- -0.9057 -3.7660 -1.3047 O 0 0 0
- 5.9588 0.9770 0.1383 C 0 0 0
- 5.2118 -1.1147 -0.5789 O 0 0 0
- 6.6084 3.1904 0.8698 C 0 0 0
- -5.1920 1.4087 -0.2011 N 0 0 0
- -0.7561 -4.1569 1.5537 C 0 0 1
- -2.0742 -3.6328 -0.4977 C 0 0 2
- 7.2968 0.5750 0.1949 C 0 0 0
- 7.9303 2.7790 0.9185 C 0 0 0
- -6.1787 1.1976 0.6923 C 0 0 0
- -1.9747 -4.5600 0.7157 C 0 0 1
- -0.5558 -5.1369 2.6295 N 0 0 0
- -3.3085 -4.0029 -1.3226 C 0 0 0
- 8.2738 1.4828 0.5918 C 0 0 0
- 7.6409 -0.6944 -0.1352 O 0 0 0
- -7.5408 1.7040 0.4223 C 0 0 0
- -5.9485 0.5907 1.7203 O 0 0 0
- -1.8224 -5.9100 0.2724 O 0 0 0
- 9.0579 -0.7924 0.0217 C 0 0 0
- -8.5650 1.4872 1.3455 C 0 0 0
- -7.8072 2.4064 -0.7545 C 0 0 0
- -9.8341 1.9630 1.0875 C 0 0 0
- -9.0805 2.8767 -1.0000 C 0 0 0
- -10.0926 2.6537 -0.0830 C 0 0 0
- -0.1403 2.6727 0.0000 H 0 0 0
- -1.4227 2.3285 0.0000 H 0 0 0
- 1.0028 -1.5532 0.0000 H 0 0 0
- 1.2236 4.4120 0.0000 H 0 0 0
- -2.1486 -0.4680 0.0000 H 0 0 0
- -1.3392 -1.3398 0.0000 H 0 0 0
- 3.0790 -2.6721 0.0000 H 0 0 0
- -1.5186 -1.0598 0.0000 H 0 0 0
- 1.1574 -2.9723 0.0000 H 0 0 0
- -2.3134 2.2364 0.0000 H 0 0 0
- -3.6040 2.8170 0.0000 H 0 0 0
- -4.1846 1.5264 0.0000 H 0 0 0
- 0.5925 -5.1300 0.0000 H 0 0 0
- 1.4570 -3.9260 0.0000 H 0 0 0
- 6.3949 4.1681 0.0000 H 0 0 0
- -5.1194 2.4068 0.0000 H 0 0 0
- -0.9237 -3.1703 0.0000 H 0 0 0
- -2.1631 -2.6360 0.0000 H 0 0 0
- 8.6528 3.4713 0.0000 H 0 0 0
- -2.9694 -4.6695 0.0000 H 0 0 0
- -1.3047 -5.8007 0.0000 H 0 0 0
- 0.3935 -5.4536 0.0000 H 0 0 0
- -3.5959 -3.0444 0.0000 H 0 0 0
- -4.2670 -4.2903 0.0000 H 0 0 0
- -3.0211 -4.9614 0.0000 H 0 0 0
- 9.2351 1.2048 0.0000 H 0 0 0
- -1.7102 -6.9044 0.0000 H 0 0 0
- 8.9889 -1.7907 0.0000 H 0 0 0
- 10.0562 -0.8614 0.0000 H 0 0 0
- 9.1269 0.2059 0.0000 H 0 0 0
- -8.6400 0.4893 0.0000 H 0 0 0
- -7.1027 3.1171 0.0000 H 0 0 0
- -10.5419 1.2556 0.0000 H 0 0 0
- -9.0120 3.8751 0.0000 H 0 0 0
- -10.9718 3.1316 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 17 11 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 1 0
- 21 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 27 32 2 0
- 28 33 1 0
- 29 34 1 0
- 29 35 1 0
- 30 36 1 0
- 31 37 2 0
- 31 38 1 0
- 33 39 1 0
- 33 40 2 0
- 34 41 1 0
- 38 42 1 0
- 39 43 2 0
- 39 44 1 0
- 43 45 1 0
- 44 46 2 0
- 45 47 2 0
- 7 12 2 0
- 9 10 1 0
- 19 25 2 0
- 30 34 1 0
- 32 37 1 0
- 46 47 1 0
- 4 48 1 0
- 4 49 1 0
- 5 50 1 0
- 8 51 1 0
- 10 52 1 0
- 10 53 1 0
- 13 54 1 0
- 16 55 1 0
- 17 56 1 0
- 22 57 1 0
- 22 58 1 0
- 22 59 1 0
- 23 60 1 0
- 23 61 1 0
- 27 62 1 0
- 28 63 1 0
- 29 64 1 0
- 30 65 1 0
- 32 66 1 0
- 34 67 1 0
- 35 68 1 0
- 35 69 1 0
- 36 70 1 0
- 36 71 1 0
- 36 72 1 0
- 37 73 1 0
- 41 74 1 0
- 42 75 1 0
- 42 76 1 0
- 42 77 1 0
- 43 78 1 0
- 44 79 1 0
- 45 80 1 0
- 46 81 1 0
- 47 82 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-872-05-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 0.5813 -0.3545 -0.1337 C 0 0 0
- -0.6560 0.5404 -0.0380 C 0 0 0
- 1.8401 0.4933 0.0600 C 0 0 0
- -1.9148 -0.3074 -0.2318 C 0 0 0
- 3.0774 -0.4016 -0.0356 C 0 0 0
- -3.1521 0.5875 -0.1361 C 0 0 0
- 4.3362 0.4463 0.1581 C 0 0 0
- -4.3920 -0.2476 -0.3269 C 0 0 0
- 5.5735 -0.4486 0.0625 C 0 0 0
- -5.2935 -0.3078 0.6216 C 0 0 0
- -0.1892 -1.1924 0.0000 H 0 0 0
- 1.3233 -1.2177 0.0000 H 0 0 0
- 0.1145 1.3783 0.0000 H 0 0 0
- -1.3980 1.4036 0.0000 H 0 0 0
- 2.6106 1.3312 0.0000 H 0 0 0
- 1.0981 1.3565 0.0000 H 0 0 0
- -2.6853 -1.1453 0.0000 H 0 0 0
- -1.1728 -1.1706 0.0000 H 0 0 0
- 2.3070 -1.2395 0.0000 H 0 0 0
- 3.8194 -1.2648 0.0000 H 0 0 0
- -2.3816 1.4254 0.0000 H 0 0 0
- -3.8941 1.4507 0.0000 H 0 0 0
- 5.1066 1.2842 0.0000 H 0 0 0
- 3.5942 1.3095 0.0000 H 0 0 0
- -4.0235 -1.3246 0.0000 H 0 0 0
- 4.9064 -1.3709 0.0000 H 0 0 0
- 6.4958 -1.1157 0.0000 H 0 0 0
- 6.2406 0.4737 0.0000 H 0 0 0
- -5.9271 0.6379 0.0000 H 0 0 0
- -5.7957 -1.3293 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 2 0
- 1 11 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1746-01-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -1.1780 0.6957 -0.0059 C 0 0 0
- -1.1780 -0.6957 -0.0023 C 0 0 0
- 0.0000 1.3762 -0.0065 O 0 0 0
- -2.3784 1.3864 -0.0030 C 0 0 0
- 0.0000 -1.3762 0.0005 O 0 0 0
- -2.3784 -1.3864 -0.0012 C 0 0 0
- 1.1780 0.6957 -0.0036 C 0 0 0
- -3.5757 0.6921 0.0034 C 0 0 0
- 1.1779 -0.6957 -0.0001 C 0 0 0
- -3.5758 -0.6921 -0.0037 C 0 0 0
- 2.3784 1.3864 -0.0038 C 0 0 0
- -5.0799 1.5587 0.0076 Cl 0 0 0
- 2.3784 -1.3864 0.0023 C 0 0 0
- -5.0800 -1.5587 -0.0029 Cl 0 0 0
- 3.5757 0.6921 -0.0004 C 0 0 0
- 3.5757 -0.6921 0.0012 C 0 0 0
- 5.0800 1.5587 -0.0006 Cl 0 0 0
- 5.0800 -1.5587 0.0043 Cl 0 0 0
- -2.3802 2.4248 0.0000 H 0 0 0
- -2.3801 -2.4248 0.0000 H 0 0 0
- 2.3802 2.4248 0.0000 H 0 0 0
- 2.3802 -2.4248 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 7 9 2 0
- 8 10 1 0
- 15 16 1 0
- 4 19 1 0
- 6 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2784-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.4920 -0.4168 -0.0546 C 0 0 0
- 0.9845 -0.1156 -0.0380 C 0 0 0
- -1.2912 0.8591 -0.1211 C 0 0 0
- -0.8284 -1.2986 -1.1857 N 0 0 0
- -0.8843 -1.2289 1.1637 C 0 0 0
- 1.6240 0.1357 1.1616 C 0 0 0
- 1.6984 -0.0965 -1.2222 C 0 0 0
- -2.3056 1.0877 0.7900 C 0 0 0
- -1.0062 1.8033 -1.0894 C 0 0 0
- -1.3300 -2.4291 -0.6564 C 0 0 0
- -1.3640 -2.3942 0.6858 N 0 0 0
- -0.7863 -0.8991 2.3262 O 0 0 0
- 2.9777 0.4117 1.1795 C 0 0 0
- 3.0518 0.1789 -1.2096 C 0 0 0
- -3.0386 2.2579 0.7289 C 0 0 0
- -1.7394 2.9739 -1.1505 C 0 0 0
- -1.7102 -3.3745 -1.3188 O 0 0 0
- 3.6951 0.4366 -0.0075 C 0 0 0
- -2.7573 3.1998 -0.2432 C 0 0 0
- 5.0266 0.7082 0.0075 O 0 0 0
- -0.1146 -1.5929 0.0000 H 0 0 0
- 1.4049 0.8760 0.0000 H 0 0 0
- 1.7860 -0.8636 0.0000 H 0 0 0
- -2.7519 0.4577 0.0000 H 0 0 0
- -0.2410 1.9058 0.0000 H 0 0 0
- -2.1220 -2.5407 0.0000 H 0 0 0
- 2.8869 1.1784 0.0000 H 0 0 0
- 3.2732 -0.5607 0.0000 H 0 0 0
- -3.8037 2.1542 0.0000 H 0 0 0
- -1.2941 3.6046 0.0000 H 0 0 0
- -3.1483 3.8655 0.0000 H 0 0 0
- 5.7831 0.8625 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 13 18 2 0
- 15 19 1 0
- 18 20 1 0
- 10 11 1 0
- 14 18 1 0
- 16 19 2 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-84-15-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.2533 0.6987 -0.0439 C 0 0 0
- -1.2524 -0.7020 0.0484 C 0 0 0
- 0.0277 1.4432 -0.0940 C 0 0 0
- -2.4640 1.3845 -0.0940 C 0 0 0
- 0.0295 -1.4450 0.0967 C 0 0 0
- -2.4622 -1.3896 0.0947 C 0 0 0
- 0.8771 1.3011 -1.1900 C 0 0 0
- 0.3848 2.2925 0.9524 C 0 0 0
- -3.6543 0.6870 -0.0528 C 0 0 0
- 0.3897 -2.2877 -0.9534 C 0 0 0
- 0.8821 -1.2991 1.1903 C 0 0 0
- -3.6534 -0.6938 0.0498 C 0 0 0
- 2.0684 1.9968 -1.2311 C 0 0 0
- 1.5783 2.9829 0.9004 C 0 0 0
- 1.5844 -2.9770 -0.9028 C 0 0 0
- 2.0739 -1.9932 1.2298 C 0 0 0
- 2.4201 2.8335 -0.1875 C 0 0 0
- 2.4235 -2.8327 0.1871 C 0 0 0
- -2.4716 2.4189 0.0000 H 0 0 0
- -2.4683 -2.4240 0.0000 H 0 0 0
- 1.0637 0.2836 0.0000 H 0 0 0
- -0.3914 2.9763 0.0000 H 0 0 0
- -4.5520 1.2010 0.0000 H 0 0 0
- -0.3841 -2.9742 0.0000 H 0 0 0
- 1.0662 -0.2812 0.0000 H 0 0 0
- -4.5504 -1.2090 0.0000 H 0 0 0
- 2.8460 1.3147 0.0000 H 0 0 0
- 1.3988 4.0016 0.0000 H 0 0 0
- 1.4028 -3.9954 0.0000 H 0 0 0
- 2.8523 -1.3119 0.0000 H 0 0 0
- 3.3286 3.3282 0.0000 H 0 0 0
- 3.3298 -3.3313 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 2 0
- 9 12 1 0
- 14 17 1 0
- 16 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-104-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.3027 0.0025 -0.5558 C 0 0 0
- 0.3628 -1.1957 -0.3741 C 0 0 0
- 0.3643 1.1986 -0.3695 C 0 0 0
- -1.7537 0.0043 -0.9629 C 0 0 0
- 1.6951 -1.1974 -0.0063 C 0 0 0
- 1.6969 1.1969 -0.0015 C 0 0 0
- -2.7916 -0.0020 0.5114 Cl 0 0 0
- 2.3623 -0.0009 0.1800 C 0 0 0
- 3.8150 -0.0027 0.5806 C 0 0 0
- -0.1589 -2.0809 0.0000 H 0 0 0
- -0.1555 2.0849 0.0000 H 0 0 0
- -1.2410 0.8947 0.0000 H 0 0 0
- -2.2707 0.8922 0.0000 H 0 0 0
- 2.2149 -2.0837 0.0000 H 0 0 0
- 2.2185 2.0821 0.0000 H 0 0 0
- 3.8137 -1.0302 0.0000 H 0 0 0
- 4.8425 -0.0040 0.0000 H 0 0 0
- 3.8163 1.0248 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90594-13-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.2993 -0.4900 -0.0007 C 0 0 0
- -1.0815 -0.4444 -0.0005 N 0 0 0
- 0.7352 0.8490 0.0003 C 0 0 0
- 1.1765 -1.4812 0.0031 N 0 0 0
- -1.4471 0.8786 0.0007 C 0 0 0
- -2.0314 -1.4249 -0.0015 C 0 0 0
- -0.3581 1.6335 0.0011 N 0 0 0
- 2.1114 1.1150 -0.0001 C 0 0 0
- 2.4732 -1.2581 0.0018 C 0 0 0
- -2.8174 1.2195 0.0008 C 0 0 0
- -3.3441 -1.1125 -0.0015 C 0 0 0
- 2.9848 0.0386 -0.0015 C 0 0 0
- -3.7516 0.2320 -0.0003 C 0 0 0
- 4.3673 0.2516 -0.0020 N 0 0 0
- -1.7422 -2.4164 0.0000 H 0 0 0
- 2.4647 2.0855 0.0000 H 0 0 0
- 3.1248 -2.0594 0.0000 H 0 0 0
- -3.1074 2.2107 0.0000 H 0 0 0
- -4.0519 -1.8646 0.0000 H 0 0 0
- -4.7568 0.4692 0.0000 H 0 0 0
- 5.0139 -0.5538 0.0000 H 0 0 0
- 4.7415 1.2142 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 12 14 1 0
- 5 7 2 0
- 9 12 1 0
- 11 13 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 14 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146795-35-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.1308 -0.3493 0.0616 C 0 0 0
- -2.2020 0.6148 0.0329 C 0 0 0
- 0.2787 0.0697 0.1228 C 0 0 0
- -1.4856 -1.6822 0.0351 C 0 0 0
- -3.4591 0.1329 -0.0227 C 0 0 0
- 1.2567 -0.8573 0.1484 N 0 0 0
- 0.5610 1.2526 0.1502 O 0 0 0
- -3.2154 -1.6314 -0.0268 S 0 0 0
- -4.7328 0.8863 -0.0622 N 0 3 0
- 2.5975 -0.4623 0.0734 C 0 0 0
- -5.7928 0.2884 -0.1117 O 0 0 0
- -4.7207 2.1042 -0.0453 O 0 5 0
- 3.5990 -1.4183 -0.0359 C 0 0 0
- 2.9277 0.8860 0.1024 C 0 0 0
- 4.9211 -1.0265 -0.1098 C 0 0 0
- 4.2514 1.2736 0.0282 C 0 0 0
- 5.2487 0.3188 -0.0749 C 0 0 0
- 6.5427 0.7000 -0.1473 F 0 0 0
- -2.0132 1.6329 0.0000 H 0 0 0
- -0.8667 -2.5124 0.0000 H 0 0 0
- 1.0145 -1.8641 0.0000 H 0 0 0
- 3.3558 -2.4249 0.0000 H 0 0 0
- 2.1793 1.6017 0.0000 H 0 0 0
- 5.6711 -1.7405 0.0000 H 0 0 0
- 4.4969 2.2796 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-530-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.0211 -0.9107 0.0769 C 0 0 0
- -0.0462 -2.1197 0.1841 O 0 0 0
- 1.1598 -0.2627 0.0305 N 0 0 0
- -1.1740 -0.2170 -0.0013 N 0 0 0
- 2.1756 -0.4754 -0.8716 C 0 0 0
- 1.5727 0.7329 0.8654 C 0 0 0
- -2.4421 -0.7119 0.1933 C 0 0 0
- -1.3051 1.1105 -0.2827 C 0 0 0
- 3.1614 0.3830 -0.5563 C 0 0 0
- 2.7681 1.1062 0.5043 N 0 0 0
- -3.2913 0.3162 0.0203 C 0 0 0
- -2.5727 1.4131 -0.2683 N 0 0 0
- 2.4229 -1.4241 0.0000 H 0 0 0
- 0.9115 1.4568 0.0000 H 0 0 0
- -2.6886 -1.6608 0.0000 H 0 0 0
- -0.5664 1.7551 0.0000 H 0 0 0
- 4.1263 0.2093 0.0000 H 0 0 0
- -4.2702 0.2621 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 1 0
- 9 5 2 0
- 10 6 2 0
- 11 7 2 0
- 12 8 2 0
- 9 10 1 0
- 11 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.3129 0.1533 0.0112 C 0 0 0
- -0.0988 -1.2126 -0.0971 C 0 0 0
- 0.7620 1.0169 0.0939 C 0 0 0
- -1.6935 0.6863 0.0321 N 0 3 0
- 1.1949 -1.7128 -0.1225 C 0 0 0
- -1.1576 -2.0622 -0.1780 O 0 0 0
- 2.0571 0.5171 0.0686 C 0 0 0
- -1.9730 1.6788 -0.6163 O 0 0 0
- -2.5501 0.1325 0.6977 O 0 5 0
- 2.2706 -0.8509 -0.0399 C 0 0 0
- 3.1466 1.3913 0.1518 N 0 0 0
- 0.6027 2.0415 0.0000 H 0 0 0
- 1.3532 -2.7376 0.0000 H 0 0 0
- -1.9664 -2.7112 0.0000 H 0 0 0
- 3.2373 -1.2261 0.0000 H 0 0 0
- 4.1130 1.0154 0.0000 H 0 0 0
- 2.9890 2.4162 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-102-01-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 1.4529 0.5013 -0.2200 C 0 0 0
- 0.1874 1.0673 -0.4105 N 0 0 0
- 1.7616 -0.7230 -0.7977 C 0 0 0
- 2.4048 1.1658 0.5425 C 0 0 0
- -0.9191 0.3648 -0.0965 C 0 0 0
- 3.0117 -1.2790 -0.6077 C 0 0 0
- 3.6527 0.6046 0.7287 C 0 0 0
- -2.2818 0.9213 -0.4195 C 0 0 0
- -0.8182 -0.7152 0.4461 O 0 0 0
- 3.9551 -0.6178 0.1567 C 0 0 0
- -3.3413 -0.0512 0.0309 C 0 0 0
- -4.7983 0.2715 -0.1785 C 0 0 0
- -3.0226 -1.0890 0.5597 O 0 0 0
- 0.1161 2.0477 0.0000 H 0 0 0
- 1.0095 -1.3560 0.0000 H 0 0 0
- 2.3131 2.1445 0.0000 H 0 0 0
- 3.1063 -2.2574 0.0000 H 0 0 0
- 4.4075 1.2344 0.0000 H 0 0 0
- -1.7810 1.7672 0.0000 H 0 0 0
- -3.0453 1.5404 0.0000 H 0 0 0
- 4.8756 -0.9627 0.0000 H 0 0 0
- -4.5857 1.2312 0.0000 H 0 0 0
- -5.7580 0.4841 0.0000 H 0 0 0
- -5.0109 -0.6882 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 1 0
- 11 13 2 0
- 7 10 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146-68-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- -0.2163 5.6131 -0.0861 N 0 3 0
- -0.0059 6.3994 0.8201 O 0 5 0
- -0.9445 5.9292 -1.0099 O 0 0 0
- 0.4180 4.2758 -0.0678 C 0 0 0
- 0.1779 3.3845 -1.0977 C 0 0 0
- 1.2538 3.9230 0.9767 C 0 0 0
- 0.7675 2.1361 -1.0844 C 0 0 0
- 1.8472 2.6769 0.9975 C 0 0 0
- 1.6038 1.7754 -0.0336 C 0 0 0
- 2.2002 0.5170 -0.0161 N 0 0 0
- 1.5374 -0.7195 0.0057 N 0 3 0
- 3.4668 0.2683 -0.0227 N 0 0 0
- 2.4459 -1.6364 0.0159 N 0 0 0
- 0.1594 -0.9198 0.0155 C 0 0 0
- 3.6341 -1.0469 -0.0013 C 0 0 0
- -0.4424 -1.6752 -0.9852 C 0 0 0
- -0.6181 -0.3695 1.0293 C 0 0 0
- 4.9420 -1.7476 -0.0003 C 0 0 0
- -1.8088 -1.8720 -0.9719 C 0 0 0
- -1.9835 -0.5706 1.0358 C 0 0 0
- 4.9893 -3.1398 0.0235 C 0 0 0
- 6.1276 -1.0156 -0.0289 C 0 0 0
- -2.5795 -1.3186 0.0353 C 0 0 0
- 6.2088 -3.7865 0.0244 C 0 0 0
- 7.3412 -1.6725 -0.0277 C 0 0 0
- -4.6525 -1.6205 0.0504 I 0 0 0
- 7.3823 -3.0550 0.0017 C 0 0 0
- -0.8530 3.2925 0.0000 H 0 0 0
- 1.9690 4.6712 0.0000 H 0 0 0
- 0.0482 1.3919 0.0000 H 0 0 0
- 2.8780 2.7703 0.0000 H 0 0 0
- 0.0724 -2.5731 0.0000 H 0 0 0
- -0.3773 0.6371 0.0000 H 0 0 0
- -2.0547 -2.8774 0.0000 H 0 0 0
- -2.4997 0.3265 0.0000 H 0 0 0
- 4.1116 -3.6884 0.0000 H 0 0 0
- 6.0981 0.0190 0.0000 H 0 0 0
- 6.2449 -4.8209 0.0000 H 0 0 0
- 8.2224 -1.1296 0.0000 H 0 0 0
- 8.2947 -3.5438 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 11 10 1 0
- 12 10 1 0
- 13 11 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 14 1 0
- 18 15 1 0
- 19 16 1 0
- 20 17 2 0
- 21 18 2 0
- 22 18 1 0
- 23 19 2 0
- 24 21 1 0
- 25 22 2 0
- 26 23 1 0
- 27 24 2 0
- 8 9 1 0
- 13 15 1 0
- 20 23 1 0
- 25 27 1 0
- 5 28 1 0
- 6 29 1 0
- 7 30 1 0
- 8 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 24 38 1 0
- 25 39 1 0
- 27 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89-72-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.0596 0.1005 -0.1019 C 0 0 0
- 0.9796 -0.9311 0.0144 C 0 0 0
- 0.4872 1.4137 -0.0621 C 0 0 0
- -1.4043 -0.2109 -0.2778 C 0 0 0
- 2.3275 -0.6411 0.1705 C 0 0 0
- 0.5615 -2.2236 -0.0241 O 0 0 0
- 1.8307 1.7000 0.0935 C 0 0 0
- -2.1975 0.3952 0.8816 C 0 0 0
- -1.8971 0.3836 -1.5987 C 0 0 0
- 2.7499 0.6734 0.2097 C 0 0 0
- -3.6838 0.0790 0.7030 C 0 0 0
- -0.2047 2.1822 0.0000 H 0 0 0
- -1.6314 -1.2197 0.0000 H 0 0 0
- 3.0216 -1.4076 0.0000 H 0 0 0
- 0.2432 -3.2075 0.0000 H 0 0 0
- 2.1514 2.6831 0.0000 H 0 0 0
- -1.3948 1.0471 0.0000 H 0 0 0
- -2.6434 1.3282 0.0000 H 0 0 0
- -1.1010 1.0435 0.0000 H 0 0 0
- -2.5570 1.1797 0.0000 H 0 0 0
- -2.6932 -0.2763 0.0000 H 0 0 0
- 3.7613 0.8886 0.0000 H 0 0 0
- -3.8990 1.0904 0.0000 H 0 0 0
- -4.6952 -0.1362 0.0000 H 0 0 0
- -3.4686 -0.9324 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 8 11 1 0
- 7 10 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
- 11 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-280-57-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 1.2805 0.0000 0.0008 N 0 0 0
- 0.7627 -0.0002 -1.3669 C 0 0 0
- 0.7630 1.1846 0.6828 C 0 0 0
- 0.7630 -1.1844 0.6832 C 0 0 0
- -0.7628 -0.0002 -1.3669 C 0 0 0
- -0.7630 1.1846 0.6829 C 0 0 0
- -0.7629 -1.1844 0.6831 C 0 0 0
- -1.2805 0.0000 0.0008 N 0 0 0
- 0.2780 -0.8399 0.0000 H 0 0 0
- 1.2477 -0.8397 0.0000 H 0 0 0
- 1.6962 1.4475 0.0000 H 0 0 0
- 0.6303 2.1450 0.0000 H 0 0 0
- 0.6303 -2.1448 0.0000 H 0 0 0
- 1.6962 -1.4473 0.0000 H 0 0 0
- -1.2478 -0.8397 0.0000 H 0 0 0
- -0.2781 -0.8399 0.0000 H 0 0 0
- -0.6303 2.1450 0.0000 H 0 0 0
- -1.6962 1.4475 0.0000 H 0 0 0
- -1.6961 -1.4474 0.0000 H 0 0 0
- -0.6302 -2.1448 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 8 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-111712-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 0.0056 0.0175 0.7792 P 0 0 0
- -1.0954 1.0696 1.3016 O 0 0 0
- 1.4629 0.4637 1.2981 O 0 0 0
- -0.3408 -1.4485 1.3475 O 0 0 0
- -0.0034 -0.0122 -0.7005 O 0 0 0
- -0.8121 2.3157 0.6620 C 0 0 0
- 2.4059 -0.4249 0.6955 C 0 0 0
- -1.5787 -1.8408 0.7511 C 0 0 0
- -2.0992 2.8852 0.0621 C 0 0 0
- -0.2493 3.2998 1.6894 C 0 0 0
- 3.5540 0.3846 0.0892 C 0 0 0
- 2.9589 -1.3781 1.7568 C 0 0 0
- -1.4333 -3.2389 0.1469 C 0 0 0
- -2.6758 -1.8577 1.8175 C 0 0 0
- -2.5134 2.0449 -1.1475 C 0 0 0
- -3.5277 2.8394 1.4120 Br 0 0 0
- 3.0443 1.1604 -1.1270 C 0 0 0
- 4.2451 1.6465 1.4290 Br 0 0 0
- -0.5455 -3.1670 -1.0971 C 0 0 0
- -0.6136 -4.4418 1.4683 Br 0 0 0
- -4.1673 2.7767 -1.9184 Br 0 0 0
- 4.5540 2.0555 -2.0130 Br 0 0 0
- -0.5057 -4.9250 -1.9762 Br 0 0 0
- 0.1699 1.9331 0.0000 H 0 0 0
- 1.5801 -1.0797 0.0000 H 0 0 0
- -1.7478 -0.8005 0.0000 H 0 0 0
- -1.8978 3.9197 0.0000 H 0 0 0
- 0.6656 2.7766 0.0000 H 0 0 0
- 0.2739 4.2147 0.0000 H 0 0 0
- -1.1642 3.8230 0.0000 H 0 0 0
- 4.3401 -0.3173 0.0000 H 0 0 0
- 2.0473 -1.9070 0.0000 H 0 0 0
- 3.4878 -2.2897 0.0000 H 0 0 0
- 3.8705 -0.8492 0.0000 H 0 0 0
- -2.4230 -3.6012 0.0000 H 0 0 0
- -2.6920 -0.8039 0.0000 H 0 0 0
- -3.7296 -1.8739 0.0000 H 0 0 0
- -2.6596 -2.9115 0.0000 H 0 0 0
- -2.9531 1.0871 0.0000 H 0 0 0
- -1.5618 1.5920 0.0000 H 0 0 0
- 2.4929 2.0586 0.0000 H 0 0 0
- 2.1547 0.5953 0.0000 H 0 0 0
- 0.5075 -3.1227 0.0000 H 0 0 0
- -0.6102 -2.1151 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
- 13 19 1 0
- 13 20 1 0
- 15 21 1 0
- 17 22 1 0
- 19 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 15 40 1 0
- 17 41 1 0
- 17 42 1 0
- 19 43 1 0
- 19 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2381-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.9457 0.1246 -0.0020 C 0 0 0
- -0.4938 -0.1847 -0.0016 C 0 0 0
- 1.3550 1.3711 -0.0013 C 0 0 0
- 1.9049 -0.9946 0.0029 C 0 0 0
- -1.3789 0.7836 0.0000 C 0 0 0
- -0.9086 -1.5991 -0.0024 C 0 0 0
- 0.3652 2.4617 0.0002 C 0 0 0
- 2.7996 1.6574 -0.0016 C 0 0 0
- 1.4011 -2.3761 0.0074 C 0 0 0
- 3.1943 -0.7359 0.0027 C 0 0 0
- -0.9245 2.1846 0.0016 C 0 0 0
- -2.8137 0.4513 0.0006 C 0 0 0
- 0.1183 -2.6518 -0.0044 C 0 0 0
- -2.1905 -1.8929 -0.0019 C 0 0 0
- 3.6625 0.6618 -0.0026 C 0 0 0
- -3.1914 -0.8108 -0.0005 C 0 0 0
- -3.8451 1.5500 0.0030 C 0 0 0
- 0.7030 3.5123 0.0000 H 0 0 0
- 3.1578 2.7013 0.0000 H 0 0 0
- 2.1258 -3.2084 0.0000 H 0 0 0
- 3.9243 -1.5636 0.0000 H 0 0 0
- -1.6641 3.0037 0.0000 H 0 0 0
- -0.2005 -3.7084 0.0000 H 0 0 0
- -2.5161 -2.9474 0.0000 H 0 0 0
- 4.7451 0.8761 0.0000 H 0 0 0
- -4.2665 -1.0601 0.0000 H 0 0 0
- -3.0405 2.3053 0.0000 H 0 0 0
- -4.6004 2.3546 0.0000 H 0 0 0
- -4.6497 0.7947 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 2 0
- 12 16 2 0
- 12 17 1 0
- 7 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 16 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-623-10-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.8201 -0.3066 0.0023 C 0 0 0
- 0.0585 -1.3823 0.0013 C 0 0 0
- -0.3243 0.9912 0.0019 C 0 0 0
- -2.1990 -0.5292 -0.0020 N 0 0 0
- 1.4216 -1.1587 -0.0002 C 0 0 0
- 1.0395 1.2076 0.0005 C 0 0 0
- -3.0933 0.5687 -0.0010 O 0 0 0
- 1.9116 0.1342 -0.0006 C 0 0 0
- 3.3993 0.3743 -0.0016 C 0 0 0
- -0.3101 -2.3566 0.0000 H 0 0 0
- -0.9806 1.8001 0.0000 H 0 0 0
- -2.5695 -1.5028 0.0000 H 0 0 0
- 2.0811 -1.9650 0.0000 H 0 0 0
- 1.4119 2.1804 0.0000 H 0 0 0
- -3.7512 1.3764 0.0000 H 0 0 0
- 3.5653 -0.6541 0.0000 H 0 0 0
- 4.4277 0.5403 0.0000 H 0 0 0
- 3.2333 1.4027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-13-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.8811 0.5600 -0.0047 C 0 0 0
- -0.7643 -0.9023 -0.0021 C 0 0 0
- 0.2644 1.3553 -0.0044 C 0 0 0
- -2.1668 1.1384 -0.0015 C 0 0 0
- 0.4921 -1.5048 0.0006 C 0 0 0
- -1.9433 -1.6794 -0.0019 C 0 0 0
- 1.5205 0.7521 -0.0017 C 0 0 0
- -3.2672 0.3316 0.0039 C 0 0 0
- 1.6369 -0.7099 0.0008 C 0 0 0
- -3.1522 -1.0651 -0.0041 C 0 0 0
- 2.7008 1.5265 -0.0010 C 0 0 0
- -4.5369 0.9108 0.0070 N 0 0 0
- 2.9248 -1.2875 0.0031 C 0 0 0
- 3.9084 0.9067 0.0021 C 0 0 0
- 4.0192 -0.4843 0.0029 C 0 0 0
- 0.1812 2.3985 0.0000 H 0 0 0
- -2.2764 2.1792 0.0000 H 0 0 0
- 0.5756 -2.5480 0.0000 H 0 0 0
- -1.8844 -2.7243 0.0000 H 0 0 0
- -4.0210 -1.6486 0.0000 H 0 0 0
- 2.6451 2.5716 0.0000 H 0 0 0
- -4.6368 1.9526 0.0000 H 0 0 0
- -5.3891 0.3034 0.0000 H 0 0 0
- 3.0353 -2.3282 0.0000 H 0 0 0
- 4.7792 1.4873 0.0000 H 0 0 0
- 4.9709 -0.9197 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 10 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13104-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- 0.9200 -0.3713 -0.2729 C 0 0 0
- -0.5482 -0.2089 -0.1826 C 0 0 0
- 1.6425 -0.8374 0.8272 C 0 0 0
- 1.5866 -0.0648 -1.4590 C 0 0 0
- -1.3580 -1.2983 -0.2519 O 0 0 0
- -1.0760 1.0050 -0.0334 C 0 0 0
- 3.0121 -0.9867 0.7366 C 0 0 0
- 0.8208 -1.2278 2.3057 Cl 0 0 0
- 2.9556 -0.2181 -1.5376 C 0 0 0
- -2.8711 -0.7507 -0.3050 P 0 0 0
- 0.0489 2.5235 0.0340 Br 0 0 0
- 3.6682 -0.6751 -0.4421 C 0 0 0
- -3.8814 -1.9855 -0.5209 O 0 0 0
- -3.2213 -0.0064 1.0790 O 0 0 0
- -3.0113 0.2035 -1.4276 O 0 0 0
- 5.3905 -0.8647 -0.5490 Cl 0 0 0
- -3.5382 -2.5862 -1.7713 C 0 0 0
- -4.5952 0.3794 1.0043 C 0 0 0
- 1.4267 0.9278 0.0000 H 0 0 0
- -2.0749 1.1191 0.0000 H 0 0 0
- 3.1796 -1.9781 0.0000 H 0 0 0
- 3.2917 0.7295 0.0000 H 0 0 0
- -4.4112 -3.0850 0.0000 H 0 0 0
- -3.0394 -3.4592 0.0000 H 0 0 0
- -2.6652 -2.0874 0.0000 H 0 0 0
- -4.3234 1.3474 0.0000 H 0 0 0
- -5.5632 0.6512 0.0000 H 0 0 0
- -4.8670 -0.5886 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 10 14 1 0
- 10 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 9 12 2 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 9 22 1 0
- 17 23 1 0
- 17 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25265-71-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- 2.3934 -0.1338 -0.3349 C 0 0 0
- 1.1362 0.7202 -0.1590 C 0 0 0
- 3.6098 0.7784 -0.5051 C 0 0 0
- 2.5741 -0.9585 0.8181 O 0 0 0
- 0.0000 -0.1318 0.0000 O 0 0 0
- -1.1362 0.7202 0.1589 C 0 0 0
- -2.3934 -0.1338 0.3349 C 0 0 0
- -3.6098 0.7784 0.5050 C 0 0 0
- -2.5741 -0.9586 -0.8180 O 0 0 0
- 1.4803 -0.7517 0.0000 H 0 0 0
- 1.8523 1.5585 0.0000 H 0 0 0
- 0.3818 1.5241 0.0000 H 0 0 0
- 4.2713 -0.1036 0.0000 H 0 0 0
- 4.4918 1.4399 0.0000 H 0 0 0
- 2.9483 1.6604 0.0000 H 0 0 0
- 2.8101 -2.0354 0.0000 H 0 0 0
- -0.3818 1.5241 0.0000 H 0 0 0
- -1.8523 1.5585 0.0000 H 0 0 0
- -1.4803 -0.7517 0.0000 H 0 0 0
- -2.9483 1.6604 0.0000 H 0 0 0
- -4.4918 1.4399 0.0000 H 0 0 0
- -4.2713 -0.1036 0.0000 H 0 0 0
- -2.8100 -2.0356 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151258-40-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 1.0133 -0.0442 0.0069 C 0 0 0
- -0.0667 -1.0452 0.0930 C 0 0 0
- 0.4509 1.2427 -0.0865 C 0 0 0
- 2.4226 -0.1789 0.0100 C 0 0 0
- -1.2694 -0.3624 -0.0062 C 0 0 0
- -0.1458 -2.4317 0.2425 C 0 0 0
- -1.0057 1.1038 -0.0161 C 0 0 0
- 1.2889 2.3620 -0.2180 C 0 0 0
- 3.2383 0.9714 -0.1097 C 0 0 0
- 3.0250 -1.4408 0.1314 C 0 0 0
- -2.5183 -0.9720 -0.0746 C 0 0 0
- -1.3855 -3.0457 0.2311 C 0 0 0
- -2.0633 1.9216 0.0076 C 0 0 0
- 2.6397 2.2396 -0.2313 C 0 0 0
- 4.6362 0.8286 -0.1022 C 0 0 0
- 4.3833 -1.5428 0.1348 C 0 0 0
- -3.6769 -0.0463 -0.3071 C 0 0 0
- -2.5714 -2.3353 0.0634 C 0 0 0
- -3.4313 1.3420 0.2646 C 0 0 0
- 5.1869 -0.4110 0.0186 C 0 0 0
- -3.9322 0.0544 -1.7096 O 0 0 0
- -3.6873 1.3303 1.6704 O 0 0 0
- 0.7264 -3.0081 0.0000 H 0 0 0
- 0.8637 3.3171 0.0000 H 0 0 0
- 2.4345 -2.3036 0.0000 H 0 0 0
- -1.4272 -4.0904 0.0000 H 0 0 0
- -1.9291 2.9584 0.0000 H 0 0 0
- 3.2387 3.0965 0.0000 H 0 0 0
- 5.2498 1.6751 0.0000 H 0 0 0
- 4.8279 -2.4891 0.0000 H 0 0 0
- -4.2008 -0.9510 0.0000 H 0 0 0
- -3.4909 -2.8329 0.0000 H 0 0 0
- -3.6627 2.3616 0.0000 H 0 0 0
- 6.2272 -0.5150 0.0000 H 0 0 0
- -4.9048 0.4380 0.0000 H 0 0 0
- -4.7317 1.2826 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 11 18 2 0
- 13 19 1 0
- 15 20 2 0
- 17 21 1 0
- 19 22 1 0
- 5 7 1 0
- 9 14 1 0
- 12 18 1 0
- 16 20 1 0
- 17 19 1 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-14-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -0.0636 0.2413 0.9483 C 0 0 0
- -1.3628 0.4354 1.2967 O 0 0 0
- 0.6459 1.2543 0.3202 C 0 0 0
- 0.5570 -0.9683 1.2254 C 0 0 0
- -2.2595 -0.1523 0.0955 P 0 0 0
- 1.9666 1.0545 -0.0331 C 0 0 0
- 1.8775 -1.1631 0.8702 C 0 0 0
- -1.9226 -1.7129 -0.1117 O 0 0 0
- -3.8191 0.0167 0.4578 O 0 0 0
- -1.8820 0.7785 -1.4742 S 0 0 0
- 2.5809 -0.1538 0.2386 C 0 0 0
- 2.7381 2.1546 -0.7155 C 0 0 0
- -2.8118 -2.1970 -1.1202 C 0 0 0
- -4.0327 1.4038 0.7267 C 0 0 0
- 3.9954 -0.3654 -0.1418 N 0 3 0
- 4.2780 -1.1657 -1.0154 O 0 0 0
- 4.8770 0.2607 0.4188 O 0 5 0
- 0.2516 2.1745 0.0000 H 0 0 0
- -0.0260 -1.7821 0.0000 H 0 0 0
- 2.2746 -2.0821 0.0000 H 0 0 0
- 3.5577 1.5798 0.0000 H 0 0 0
- 3.3129 2.9742 0.0000 H 0 0 0
- 1.9185 2.7294 0.0000 H 0 0 0
- -3.2905 -1.3178 0.0000 H 0 0 0
- -3.6910 -2.6757 0.0000 H 0 0 0
- -2.3331 -3.0762 0.0000 H 0 0 0
- -3.0433 1.5562 0.0000 H 0 0 0
- -4.1851 2.3932 0.0000 H 0 0 0
- -5.0221 1.2514 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 15 16 2 0
- 15 17 1 0
- 7 11 1 0
- 3 18 1 0
- 4 19 1 0
- 7 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-143-07-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- 1.7538 -0.6487 0.0000 C 0 0 0
- 0.5415 0.2847 0.0000 C 0 0 0
- 3.0379 0.1832 0.0000 C 0 0 0
- -0.7426 -0.5472 0.0000 C 0 0 0
- 4.2502 -0.7501 0.0000 C 0 0 0
- -1.9549 0.3862 0.0000 C 0 0 0
- 5.5150 0.0693 0.0000 C 0 0 0
- -3.2390 -0.4457 0.0000 C 0 0 0
- 6.7103 -0.5414 0.0000 O 0 0 0
- 5.4531 1.2759 0.0000 O 0 0 0
- -4.4513 0.4877 0.0000 C 0 0 0
- -5.7354 -0.3442 0.0000 C 0 0 0
- -6.9477 0.5891 0.0000 C 0 0 0
- -8.2318 -0.2428 0.0000 C 0 0 0
- 0.9555 -1.4730 0.0000 H 0 0 0
- 2.4826 -1.5351 0.0000 H 0 0 0
- 1.3398 1.1090 0.0000 H 0 0 0
- -0.1873 1.1711 0.0000 H 0 0 0
- 3.8362 1.0075 0.0000 H 0 0 0
- 2.3091 1.0696 0.0000 H 0 0 0
- -1.5409 -1.3715 0.0000 H 0 0 0
- -0.0138 -1.4336 0.0000 H 0 0 0
- 3.4519 -1.5744 0.0000 H 0 0 0
- 4.9790 -1.6365 0.0000 H 0 0 0
- -1.1566 1.2105 0.0000 H 0 0 0
- -2.6837 1.2726 0.0000 H 0 0 0
- -4.0373 -1.2700 0.0000 H 0 0 0
- -2.5102 -1.3321 0.0000 H 0 0 0
- 7.7322 -1.0635 0.0000 H 0 0 0
- -3.6530 1.3120 0.0000 H 0 0 0
- -5.1801 1.3741 0.0000 H 0 0 0
- -6.5337 -1.1685 0.0000 H 0 0 0
- -5.0066 -1.2306 0.0000 H 0 0 0
- -6.1494 1.4134 0.0000 H 0 0 0
- -7.6765 1.4755 0.0000 H 0 0 0
- -8.8557 0.7203 0.0000 H 0 0 0
- -9.1949 -0.8667 0.0000 H 0 0 0
- -7.6079 -1.2059 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 1 15 1 0
- 1 16 1 0
- 2 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 14 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-55-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.1646 0.0044 0.0033 C 0 0 0
- 0.5364 -1.2028 0.0029 C 0 0 0
- 0.5363 1.2112 0.0009 C 0 0 0
- -1.6430 0.0045 0.0001 C 0 0 0
- 1.9157 -1.1959 0.0002 C 0 0 0
- 1.9160 1.2041 -0.0018 C 0 0 0
- -2.3169 1.1717 0.0004 N 0 0 0
- -2.2509 -1.0482 -0.0029 O 0 0 0
- 2.6046 0.0043 -0.0022 C 0 0 0
- 0.0210 -2.1033 0.0000 H 0 0 0
- 0.0210 2.1117 0.0000 H 0 0 0
- 2.4378 -2.0925 0.0000 H 0 0 0
- 2.4382 2.1006 0.0000 H 0 0 0
- -1.7981 2.0702 0.0000 H 0 0 0
- -3.3544 1.1717 0.0000 H 0 0 0
- 3.6421 0.0043 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78-95-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 1.0993 0.0272 -0.0013 C 0 0 0
- -0.0853 0.9588 0.0015 C 0 0 0
- 2.4983 0.5873 -0.0004 C 0 0 0
- 0.9274 -1.1681 0.0008 O 0 0 0
- -1.6085 -0.0058 -0.0003 Cl 0 0 0
- 0.7093 1.7625 0.0000 H 0 0 0
- -0.7941 1.8392 0.0000 H 0 0 0
- 2.9184 -0.4620 0.0000 H 0 0 0
- 3.5476 1.0074 0.0000 H 0 0 0
- 2.0782 1.6366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -1.7932 -0.1092 -0.4036 C 0 0 0
- -3.2276 0.2270 -0.0865 C 0 0 0
- -0.9655 -0.0769 0.8828 C 0 0 0
- -1.7245 -1.4515 -0.9965 N 0 0 0
- -3.6406 1.5038 -0.1189 O 0 0 0
- -4.0059 -0.6527 0.1969 O 0 0 0
- 0.4997 -0.0137 0.5359 C 0 0 0
- 1.0638 1.1833 0.1365 C 0 0 0
- 1.2799 -1.1519 0.6228 C 0 0 0
- 2.4075 1.2424 -0.1820 C 0 0 0
- 2.6234 -1.0952 0.3049 C 0 0 0
- 3.1884 0.1022 -0.1008 C 0 0 0
- 4.5019 0.1589 -0.4117 F 0 0 0
- -1.6970 0.8942 0.0000 H 0 0 0
- -1.4339 -0.9695 0.0000 H 0 0 0
- -0.4255 -0.9281 0.0000 H 0 0 0
- -2.5706 -1.9995 0.0000 H 0 0 0
- -0.8269 -1.9102 0.0000 H 0 0 0
- -3.9508 2.4629 0.0000 H 0 0 0
- 0.5053 2.0225 0.0000 H 0 0 0
- 0.8289 -2.0534 0.0000 H 0 0 0
- 2.8579 2.1442 0.0000 H 0 0 0
- 3.1809 -1.9350 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 7 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 2 0
- 12 13 1 0
- 11 12 1 0
- 1 14 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-959-33-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.0261 1.0205 -0.0038 C 0 0 0
- 0.7064 0.5032 -0.0034 C 0 0 0
- 2.2082 2.2243 -0.0004 O 0 0 0
- 3.1822 0.0975 -0.0021 C 0 0 0
- -0.3508 1.3471 0.0007 C 0 0 0
- 4.4831 0.6035 -0.0025 C 0 0 0
- 2.9769 -1.2835 0.0056 C 0 0 0
- -1.7183 0.8112 0.0011 C 0 0 0
- 5.5569 -0.2627 -0.0010 C 0 0 0
- 4.0592 -2.1384 0.0070 C 0 0 0
- -2.8144 1.6826 0.0053 C 0 0 0
- -1.9306 -0.5732 -0.0086 C 0 0 0
- 5.3465 -1.6302 0.0009 C 0 0 0
- -4.0939 1.1750 0.0057 C 0 0 0
- -3.2138 -1.0700 -0.0081 C 0 0 0
- -4.2989 -0.2001 0.0019 C 0 0 0
- -5.5626 -0.6953 0.0028 O 0 0 0
- -5.4480 -2.1197 -0.0018 C 0 0 0
- 0.5505 -0.5278 0.0000 H 0 0 0
- -0.1949 2.3781 0.0000 H 0 0 0
- 4.6430 1.6339 0.0000 H 0 0 0
- 2.0075 -1.6677 0.0000 H 0 0 0
- 6.5292 0.1140 0.0000 H 0 0 0
- 3.9072 -3.1700 0.0000 H 0 0 0
- -2.6617 2.7141 0.0000 H 0 0 0
- -1.1177 -1.2262 0.0000 H 0 0 0
- 6.1614 -2.2808 0.0000 H 0 0 0
- -4.9108 1.8230 0.0000 H 0 0 0
- -3.3729 -2.1005 0.0000 H 0 0 0
- -6.4874 -2.2033 0.0000 H 0 0 0
- -5.3644 -3.1591 0.0000 H 0 0 0
- -4.4086 -2.0361 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 17 16 1 0
- 18 17 1 0
- 10 13 1 0
- 15 16 1 0
- 2 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5784-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -2.3607 1.0931 -0.0004 Cl 0 0 0
- -1.1143 -0.1153 -0.0015 C 0 0 0
- 0.2423 0.2565 -0.0005 C 0 0 0
- -1.4227 -1.3945 0.0021 N 0 0 0
- 1.2115 -0.7823 -0.0010 C 0 0 0
- 0.6626 1.5929 0.0006 C 0 0 0
- -0.5478 -2.3299 0.0020 N 0 0 0
- 0.7477 -2.1091 -0.0025 C 0 0 0
- 2.5741 -0.4550 -0.0004 C 0 0 0
- 1.9960 1.8746 0.0011 C 0 0 0
- 2.9469 0.8557 0.0006 C 0 0 0
- -0.0418 2.3688 0.0000 H 0 0 0
- 1.4242 -2.9095 0.0000 H 0 0 0
- 3.2996 -1.2112 0.0000 H 0 0 0
- 2.3116 2.8739 0.0000 H 0 0 0
- 3.9656 1.1016 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 2 0
- 11 9 2 0
- 7 8 1 0
- 10 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1193-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 0.6734 -0.1452 -0.0020 C 0 0 0
- -0.6734 -0.1452 -0.0006 C 0 0 0
- 1.0995 1.2713 -0.0011 C 0 0 0
- 1.7092 -1.5384 0.0019 Cl 0 0 0
- -1.0995 1.2713 0.0012 C 0 0 0
- -1.7092 -1.5384 -0.0014 Cl 0 0 0
- 0.0000 2.0461 0.0008 N 0 0 0
- 2.2472 1.6674 -0.0023 O 0 0 0
- -2.2472 1.6675 0.0022 O 0 0 0
- 0.0000 3.0562 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 2 0
- 5 7 1 0
- 7 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-41-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.5516 0.0010 -0.2868 C 0 0 0
- 0.1268 -1.1968 -0.1580 C 0 0 0
- 0.1280 1.1975 -0.1567 C 0 0 0
- -2.0307 0.0020 -0.5751 C 0 0 0
- 1.4845 -1.1977 0.1007 C 0 0 0
- 1.4861 1.1966 0.1020 C 0 0 0
- -2.8073 -0.0017 0.7432 C 0 0 0
- 2.1643 -0.0009 0.2307 C 0 0 0
- -0.3932 -2.0883 0.0000 H 0 0 0
- -0.3909 2.0897 0.0000 H 0 0 0
- -1.5157 0.8964 0.0000 H 0 0 0
- -2.5494 0.8943 0.0000 H 0 0 0
- 2.0034 -2.0899 0.0000 H 0 0 0
- 2.0061 2.0881 0.0000 H 0 0 0
- -2.8122 1.0304 0.0000 H 0 0 0
- -3.8394 -0.0066 0.0000 H 0 0 0
- -2.8024 -1.0338 0.0000 H 0 0 0
- 3.1964 -0.0016 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 8 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-458-37-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 48 1 V2000
- -4.9491 0.0480 -0.0043 C 0 0 0
- -6.0943 -0.7587 -0.0054 C 0 0 0
- -5.0801 1.4425 0.0024 C 0 0 0
- -3.6160 -0.5662 -0.0040 C 0 0 0
- -7.3451 -0.1750 0.0001 C 0 0 0
- -6.3321 2.0157 0.0079 C 0 0 0
- -2.5091 0.2165 -0.0030 C 0 0 0
- -7.4669 1.2146 0.0068 C 0 0 0
- -8.4592 -0.9549 -0.0014 O 0 0 0
- -1.2305 -0.3726 -0.0027 C 0 0 0
- -8.6987 1.7860 0.0122 O 0 0 0
- -8.0130 -2.3124 -0.0090 C 0 0 0
- 0.0000 0.4975 -0.0015 C 0 0 0
- -1.1190 -1.5822 -0.0034 O 0 0 0
- 1.2304 -0.3726 -0.0015 C 0 0 0
- 2.5091 0.2164 -0.0005 C 0 0 0
- 1.1190 -1.5822 -0.0023 O 0 0 0
- 3.6159 -0.5663 -0.0004 C 0 0 0
- 4.9491 0.0479 0.0007 C 0 0 0
- 6.0943 -0.7588 0.0007 C 0 0 0
- 5.0802 1.4425 -0.0042 C 0 0 0
- 7.3451 -0.1750 0.0018 C 0 0 0
- 6.3321 2.0156 -0.0031 C 0 0 0
- 7.4669 1.2145 0.0028 C 0 0 0
- 8.4592 -0.9550 0.0023 O 0 0 0
- 8.6988 1.7860 0.0038 O 0 0 0
- 8.0130 -2.3125 0.0015 C 0 0 0
- -6.0020 -1.7986 0.0000 H 0 0 0
- -4.2290 2.0470 0.0000 H 0 0 0
- -3.5202 -1.6058 0.0000 H 0 0 0
- -6.4287 3.0552 0.0000 H 0 0 0
- -2.6049 1.2561 0.0000 H 0 0 0
- -9.6457 2.2253 0.0000 H 0 0 0
- -9.0048 -2.6384 0.0000 H 0 0 0
- -7.6870 -3.3042 0.0000 H 0 0 0
- -7.0212 -1.9864 0.0000 H 0 0 0
- 0.6952 1.2763 0.0000 H 0 0 0
- -0.6952 1.2763 0.0000 H 0 0 0
- 2.6049 1.2560 0.0000 H 0 0 0
- 3.5201 -1.6059 0.0000 H 0 0 0
- 6.0020 -1.7987 0.0000 H 0 0 0
- 4.2291 2.0470 0.0000 H 0 0 0
- 6.4287 3.0551 0.0000 H 0 0 0
- 9.6458 2.2253 0.0000 H 0 0 0
- 7.0212 -1.9865 0.0000 H 0 0 0
- 7.6870 -3.3043 0.0000 H 0 0 0
- 9.0048 -2.6385 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 3
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 2 3
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 20 22 1 0
- 21 23 2 0
- 22 24 2 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 6 8 1 0
- 23 24 1 0
- 2 28 1 0
- 3 29 1 0
- 4 30 1 0
- 6 31 1 0
- 7 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 16 39 1 0
- 18 40 1 0
- 20 41 1 0
- 21 42 1 0
- 23 43 1 0
- 26 44 1 0
- 27 45 1 0
- 27 46 1 0
- 27 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-17433-31-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.3795 0.2099 0.0562 C 0 0 0
- -0.0224 0.6775 0.1624 C 0 0 0
- 2.3755 1.0984 -0.3416 C 0 0 0
- 1.6766 -1.0510 0.3462 N 0 0 0
- -0.9907 -0.1776 0.5468 N 0 0 0
- -0.2992 1.8319 -0.0971 O 0 0 0
- 3.6827 0.6464 -0.4359 C 0 0 0
- 2.9077 -1.5059 0.2653 C 0 0 0
- -2.3163 0.2645 0.6472 N 0 0 0
- 3.9477 -0.6787 -0.1290 C 0 0 0
- -3.2774 -0.3116 -0.1017 C 0 0 0
- -4.7033 0.1639 0.0063 C 0 0 0
- -2.9947 -1.2127 -0.8626 O 0 0 0
- 2.1797 2.0756 0.0000 H 0 0 0
- -0.7920 -1.1542 0.0000 H 0 0 0
- 4.4335 1.3018 0.0000 H 0 0 0
- 3.0655 -2.4900 0.0000 H 0 0 0
- -2.4248 1.2552 0.0000 H 0 0 0
- 4.8837 -1.0211 0.0000 H 0 0 0
- -4.3880 1.1094 0.0000 H 0 0 0
- -5.6488 0.4792 0.0000 H 0 0 0
- -5.0186 -0.7816 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 8 10 1 0
- 3 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2208-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -0.8630 -0.6343 0.3289 C 0 0 0
- -1.7843 -1.5801 -0.1533 C 0 0 0
- 0.3683 -1.3760 0.6146 C 0 0 0
- -1.2316 0.7094 0.4385 C 0 0 0
- -3.0637 -1.1696 -0.5150 C 0 0 0
- -1.1476 -2.8031 -0.1557 N 0 0 0
- 0.1339 -2.6607 0.3052 C 0 0 0
- 1.6542 -0.8043 1.1537 C 0 0 0
- -2.5017 1.1010 0.0716 C 0 0 0
- -3.4198 0.1591 -0.3988 C 0 0 0
- 2.5469 -0.3700 -0.0105 C 0 0 0
- -2.8650 2.4080 0.1767 O 0 0 0
- -4.6715 0.5557 -0.7536 O 0 0 0
- 3.7969 0.1857 0.5136 N 0 0 0
- -1.7317 3.1118 0.6890 C 0 0 0
- 4.7422 0.6362 -0.3350 C 0 0 0
- 6.0281 1.2079 0.2041 C 0 0 0
- 4.5579 0.5815 -1.5325 O 0 0 0
- -0.5131 1.4057 0.0000 H 0 0 0
- -3.7882 -1.8597 0.0000 H 0 0 0
- -1.6185 -3.6859 0.0000 H 0 0 0
- 0.8163 -3.3924 0.0000 H 0 0 0
- 1.5605 -1.8004 0.0000 H 0 0 0
- 2.4766 -1.3741 0.0000 H 0 0 0
- 2.6406 0.6261 0.0000 H 0 0 0
- 1.7245 0.1998 0.0000 H 0 0 0
- -5.6253 0.8579 0.0000 H 0 0 0
- 4.2154 -0.7231 0.0000 H 0 0 0
- -1.2039 2.2618 0.0000 H 0 0 0
- -0.8817 3.6396 0.0000 H 0 0 0
- -2.2595 3.9618 0.0000 H 0 0 0
- 6.4346 0.2936 0.0000 H 0 0 0
- 6.9424 1.6144 0.0000 H 0 0 0
- 5.6216 2.1222 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 16 17 1 0
- 16 18 2 0
- 6 7 1 0
- 9 10 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 11 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4719-04-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- 1.3814 -0.1636 -0.1830 N 0 0 0
- 0.5455 -1.2555 -0.6959 C 0 0 0
- 0.8158 1.0878 -0.7012 C 0 0 0
- 2.7042 -0.3176 -0.8031 C 0 0 0
- -0.8214 -1.1177 -0.1795 N 0 0 0
- -0.5463 1.2671 -0.1849 N 0 0 0
- 3.7807 -0.3123 0.2841 C 0 0 0
- -1.3487 0.1502 -0.6977 C 0 0 0
- -1.6156 -2.1886 -0.7962 C 0 0 0
- -1.0761 2.4880 -0.8068 C 0 0 0
- 3.6596 -1.4928 1.0801 O 0 0 0
- -2.1787 -3.0998 0.2964 C 0 0 0
- -1.6159 3.4206 0.2794 C 0 0 0
- -3.1493 -2.3824 1.0614 O 0 0 0
- -0.5306 3.9081 1.0710 O 0 0 0
- 0.2649 -2.2141 0.0000 H 0 0 0
- 1.4364 -1.7070 0.0000 H 0 0 0
- 1.7861 1.3246 0.0000 H 0 0 0
- 0.7616 2.0851 0.0000 H 0 0 0
- 2.1409 -1.1424 0.0000 H 0 0 0
- 3.1727 -1.1997 0.0000 H 0 0 0
- 4.7773 -0.3787 0.0000 H 0 0 0
- 3.8115 0.6860 0.0000 H 0 0 0
- -2.0391 0.8719 0.0000 H 0 0 0
- -2.1849 -0.3961 0.0000 H 0 0 0
- -2.0386 -1.2838 0.0000 H 0 0 0
- -2.6127 -2.1306 0.0000 H 0 0 0
- -0.0802 2.4124 0.0000 H 0 0 0
- -0.5448 3.3337 0.0000 H 0 0 0
- 3.5577 -2.4864 0.0000 H 0 0 0
- -2.7499 -3.9191 0.0000 H 0 0 0
- -1.3439 -3.6482 0.0000 H 0 0 0
- -2.0560 4.3172 0.0000 H 0 0 0
- -2.4969 2.9501 0.0000 H 0 0 0
- -3.9525 -1.7887 0.0000 H 0 0 0
- 0.3805 4.3174 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 6 8 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3322-93-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.3261 -0.3721 -0.0244 C 0 0 0
- 0.4418 0.0847 -1.2664 C 0 0 0
- -0.0008 0.5572 1.1467 C 0 0 0
- -1.8288 -0.3275 -0.3087 C 0 0 0
- 1.9444 0.0401 -0.9821 C 0 0 0
- 1.5018 0.5126 1.4311 C 0 0 0
- -2.5966 -0.7844 0.9333 C 0 0 0
- -2.3550 1.5110 -0.7650 Br 0 0 0
- 2.2697 0.9695 0.1890 C 0 0 0
- 2.4707 -1.7983 -0.5255 Br 0 0 0
- -4.5275 -0.7270 0.5680 Br 0 0 0
- 4.2006 0.9121 0.5544 Br 0 0 0
- -0.0434 -1.4635 0.0000 H 0 0 0
- 0.8437 1.1381 0.0000 H 0 0 0
- -0.4210 0.8104 0.0000 H 0 0 0
- 0.1476 1.6748 0.0000 H 0 0 0
- -1.0974 0.8190 0.0000 H 0 0 0
- -1.5460 -1.4189 0.0000 H 0 0 0
- 3.0714 0.0075 0.0000 H 0 0 0
- 1.0999 -0.5408 0.0000 H 0 0 0
- 2.3647 -0.2131 0.0000 H 0 0 0
- -2.9985 -1.8378 0.0000 H 0 0 0
- -1.7337 -1.5101 0.0000 H 0 0 0
- 1.9869 2.0609 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 6 9 1 0
- 1 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-151-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.0937 0.6601 0.0000 C 0 0 0
- -1.0747 -0.5140 0.0000 C 0 0 0
- 1.2859 0.1468 0.0000 C 0 0 0
- -2.4514 -0.0017 0.0000 N 0 0 0
- 2.3506 -0.2494 0.0000 N 0 0 0
- 0.4052 1.6436 0.0000 H 0 0 0
- -1.0145 1.2670 0.0000 H 0 0 0
- -1.5737 -1.4975 0.0000 H 0 0 0
- -0.1539 -1.1209 0.0000 H 0 0 0
- -2.6351 1.0857 0.0000 H 0 0 0
- -3.3013 -0.7045 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 3 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 4 10 1 0
- 4 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-82-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 0.8553 0.0096 1.1019 C 0 0 0
- -0.4473 0.0056 0.3441 C 0 0 0
- 0.8513 0.0126 2.3157 O 0 0 0
- 2.1232 0.0038 0.3754 C 0 0 0
- -1.6135 0.0062 1.3345 C 0 0 0
- 2.7403 1.2172 0.0180 C 0 0 0
- 2.7383 -1.2155 0.0337 C 0 0 0
- -2.9161 0.0022 0.5767 C 0 0 0
- 2.1602 2.3981 0.3467 O 0 0 0
- 3.9398 1.2012 -0.6686 C 0 0 0
- 2.1557 -2.3911 0.3767 O 0 0 0
- 3.9374 -1.2106 -0.6529 C 0 0 0
- -3.5106 -1.1975 0.2327 C 0 0 0
- -3.5176 1.1987 0.2317 C 0 0 0
- 4.5362 -0.0073 -1.0060 C 0 0 0
- -4.7051 -1.2038 -0.4617 C 0 0 0
- -4.7117 1.1977 -0.4624 C 0 0 0
- 5.7136 -0.0127 -1.6800 O 0 0 0
- -5.3078 -0.0051 -0.8136 C 0 0 0
- -6.4825 -0.0087 -1.4969 O 0 0 0
- -0.9352 -0.8408 0.0000 H 0 0 0
- 0.0428 -0.8395 0.0000 H 0 0 0
- -1.1256 0.8526 0.0000 H 0 0 0
- -2.1036 0.8513 0.0000 H 0 0 0
- 1.7295 3.2750 0.0000 H 0 0 0
- 4.4611 2.0274 0.0000 H 0 0 0
- 1.7219 -3.2665 0.0000 H 0 0 0
- 4.4535 -2.0401 0.0000 H 0 0 0
- -2.9933 -2.0263 0.0000 H 0 0 0
- -3.0052 2.0305 0.0000 H 0 0 0
- -5.2156 -2.0368 0.0000 H 0 0 0
- -5.2271 2.0276 0.0000 H 0 0 0
- 6.6905 -0.0172 0.0000 H 0 0 0
- -7.4595 -0.0117 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 1 0
- 12 7 2 0
- 13 8 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 15 1 0
- 19 16 2 0
- 20 19 1 0
- 12 15 1 0
- 17 19 1 0
- 2 21 1 0
- 2 22 1 0
- 5 23 1 0
- 5 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75-34-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.0000 -0.5010 0.4661 C 0 0 0
- -0.0001 -1.8858 -0.1843 C 0 0 0
- 1.4721 0.4043 -0.0477 Cl 0 0 0
- -1.4721 0.4044 -0.0477 Cl 0 0 0
- 1.1314 -1.1335 0.0000 H 0 0 0
- -1.2962 -1.8857 0.0000 H 0 0 0
- -0.0002 -3.1819 0.0000 H 0 0 0
- 1.2960 -1.8859 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-578-95-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.2053 0.8905 0.1156 C 0 0 0
- -1.2573 -0.5115 0.0229 C 0 0 0
- 0.0000 1.5347 0.3055 N 0 0 0
- -2.3862 1.6216 0.0191 C 0 0 0
- 0.0000 -1.2776 0.1203 C 0 0 0
- -2.4800 -1.1576 -0.1611 C 0 0 0
- 1.2053 0.8903 0.1172 C 0 0 0
- -3.5867 0.9699 -0.1618 C 0 0 0
- 1.2571 -0.5113 0.0226 C 0 0 0
- 0.0001 -2.4855 0.2737 O 0 0 0
- -3.6353 -0.4137 -0.2557 C 0 0 0
- 2.3864 1.6217 0.0191 C 0 0 0
- 2.4802 -1.1576 -0.1614 C 0 0 0
- 3.5862 0.9703 -0.1645 C 0 0 0
- 3.6355 -0.4140 -0.2533 C 0 0 0
- 0.0001 2.5722 0.0000 H 0 0 0
- -2.3566 2.6587 0.0000 H 0 0 0
- -2.5246 -2.1942 0.0000 H 0 0 0
- -4.4689 1.5160 0.0000 H 0 0 0
- -4.5547 -0.8945 0.0000 H 0 0 0
- 2.3568 2.6588 0.0000 H 0 0 0
- 2.5247 -2.1942 0.0000 H 0 0 0
- 4.4683 1.5166 0.0000 H 0 0 0
- 4.5550 -0.8946 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 2 0
- 8 11 2 0
- 14 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117066-35-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- -0.8559 -0.1224 -0.1052 C 0 0 0
- -2.1075 -0.9151 -0.1060 C 0 0 0
- -0.9335 1.2771 -0.1675 C 0 0 0
- 0.3822 -0.7453 -0.0381 C 0 0 0
- -3.3060 -0.2835 0.2271 C 0 0 0
- -2.0994 -2.2670 -0.4328 C 0 0 0
- 0.1545 2.0113 -0.1606 N 0 0 0
- -2.2851 1.9394 -0.2509 C 0 0 2
- 1.5208 0.0646 -0.0359 C 0 0 0
- -3.3082 1.1775 0.5858 C 0 0 2
- -4.4819 -1.0054 0.2267 C 0 0 0
- -3.2825 -2.9792 -0.4282 C 0 0 0
- 1.3728 1.4690 -0.0992 C 0 0 0
- -2.7151 1.9743 -1.6132 O 0 0 0
- 2.8687 -0.5059 0.0311 C 0 0 0
- -2.9962 1.3280 1.9722 O 0 0 0
- -4.4699 -2.3495 -0.0997 C 0 0 0
- 2.5241 2.2915 -0.0925 C 0 0 0
- 3.9768 0.3721 0.0339 C 0 0 0
- 3.0786 -1.8841 0.0913 C 0 0 0
- 3.7655 1.7683 -0.0353 C 0 0 0
- 5.2713 -0.1612 0.0972 C 0 0 0
- 4.3529 -2.3730 0.1520 C 0 0 0
- 5.4446 -1.5134 0.1551 C 0 0 0
- 0.4611 -1.7799 0.0000 H 0 0 0
- -1.1946 -2.7749 0.0000 H 0 0 0
- -2.0100 2.9399 0.0000 H 0 0 0
- -4.2358 1.6424 0.0000 H 0 0 0
- -5.3896 -0.5028 0.0000 H 0 0 0
- -3.2544 -4.0164 0.0000 H 0 0 0
- -3.7493 2.0582 0.0000 H 0 0 0
- -2.0617 1.7788 0.0000 H 0 0 0
- -5.3566 -2.8883 0.0000 H 0 0 0
- 2.4094 3.3227 0.0000 H 0 0 0
- 2.2704 -2.5347 0.0000 H 0 0 0
- 4.5845 2.4053 0.0000 H 0 0 0
- 6.0949 0.4698 0.0000 H 0 0 0
- 4.5083 -3.3989 0.0000 H 0 0 0
- 6.4050 -1.9061 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 15 19 1 0
- 15 20 2 0
- 18 21 2 0
- 19 22 2 0
- 20 23 1 0
- 22 24 1 0
- 8 10 1 0
- 9 13 2 0
- 12 17 1 0
- 19 21 1 0
- 23 24 2 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 23 38 1 0
- 24 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2363-23-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.4532 0.6215 0.0030 C 0 0 0
- -0.9879 -0.6614 0.0011 C 0 0 0
- 0.9163 0.7967 0.0027 C 0 0 0
- -1.3508 1.7985 -0.0008 N 0 3 0
- -0.1414 -1.7633 -0.0011 C 0 0 0
- -2.7351 -0.8899 0.0020 S 0 0 0
- 1.7559 -0.3026 0.0005 C 0 0 0
- -0.8814 2.9224 0.0009 O 0 0 0
- -2.5588 1.6431 -0.0056 O 0 5 0
- 1.2274 -1.5804 -0.0014 C 0 0 0
- -2.8157 -2.7021 -0.0013 C 0 0 0
- 3.2236 -0.1106 -0.0002 N 0 3 0
- 3.9643 -1.0775 -0.0022 O 0 0 0
- 3.6907 1.0143 0.0011 O 0 5 0
- 1.3161 1.7538 0.0000 H 0 0 0
- -0.5371 -2.7221 0.0000 H 0 0 0
- 1.8599 -2.4025 0.0000 H 0 0 0
- -3.8519 -2.6560 0.0000 H 0 0 0
- -2.8618 -3.7383 0.0000 H 0 0 0
- -1.7795 -2.7482 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 10 2 0
- 3 15 1 0
- 5 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58658-11-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- 0.5314 0.0018 -0.7200 C 0 0 0
- 1.1596 -1.2070 -0.3582 C 0 0 0
- 1.1668 1.2059 -0.3566 C 0 0 0
- -0.6610 0.0059 -1.4107 N 0 0 0
- 2.3905 -1.1693 0.3480 C 0 0 0
- 0.5841 -2.4461 -0.6866 C 0 0 0
- 2.3977 1.1598 0.3497 C 0 0 0
- 0.5989 2.4491 -0.6832 C 0 0 0
- -1.8740 0.0061 -0.7127 C 0 0 0
- 2.9549 -0.0066 0.6711 N 0 0 0
- 3.0081 -2.3858 0.7037 C 0 0 0
- 1.2119 -3.5978 -0.3247 C 0 0 0
- 3.0227 2.3720 0.7071 C 0 0 0
- 1.2338 3.5964 -0.3196 C 0 0 0
- -3.0762 0.0103 -1.4090 C 0 0 0
- -1.8760 -0.0036 0.6761 C 0 0 0
- 2.4218 -3.5654 0.3685 C 0 0 0
- 2.4435 3.5556 0.3735 C 0 0 0
- -4.2725 0.0100 -0.7205 C 0 0 0
- -3.0728 -0.0039 1.3647 C 0 0 0
- -4.2745 0.0056 0.6686 C 0 0 0
- -5.4871 0.0058 1.3664 N 0 0 0
- -0.6593 0.9297 0.0000 H 0 0 0
- -0.3392 -2.4758 0.0000 H 0 0 0
- -0.3242 2.4846 0.0000 H 0 0 0
- 3.9319 -2.3819 0.0000 H 0 0 0
- 0.7509 -4.3984 0.0000 H 0 0 0
- 3.9465 2.3623 0.0000 H 0 0 0
- 0.7781 4.4000 0.0000 H 0 0 0
- -3.0747 0.9341 0.0000 H 0 0 0
- -1.2923 -0.7197 0.0000 H 0 0 0
- 2.9189 -4.3441 0.0000 H 0 0 0
- 2.9457 4.3310 0.0000 H 0 0 0
- -4.7728 0.7867 0.0000 H 0 0 0
- -3.0763 -0.9277 0.0000 H 0 0 0
- -5.9489 0.8059 0.0000 H 0 0 0
- -5.9491 -0.7942 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 21 22 1 0
- 7 10 2 0
- 12 17 1 0
- 14 18 1 0
- 20 21 2 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 22 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-536-33-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.4759 0.5330 0.0118 C 0 0 0
- 0.4589 -0.4883 0.2130 C 0 0 0
- -0.0038 1.8444 -0.1147 C 0 0 0
- -1.9217 0.2345 -0.0711 C 0 0 0
- 1.8000 -0.1648 0.2783 C 0 0 0
- 1.3549 2.0769 -0.0366 C 0 0 0
- -2.8059 1.2329 -0.2653 N 0 0 0
- -2.4725 -1.3795 0.0797 S 0 0 0
- 2.2019 1.0846 0.1545 N 0 0 0
- 2.8177 -1.2549 0.4947 C 0 0 0
- 3.2747 -1.8020 -0.8592 C 0 0 0
- 0.1566 -1.4778 0.0000 H 0 0 0
- -0.6683 2.6375 0.0000 H 0 0 0
- 1.7071 3.0498 0.0000 H 0 0 0
- -2.4781 2.2143 0.0000 H 0 0 0
- -3.8197 1.0261 0.0000 H 0 0 0
- 3.8336 -1.0588 0.0000 H 0 0 0
- 3.1378 -0.2710 0.0000 H 0 0 0
- 2.4806 -2.4653 0.0000 H 0 0 0
- 3.9380 -2.5961 0.0000 H 0 0 0
- 4.0688 -1.1387 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 10 11 1 0
- 6 9 1 0
- 2 12 1 0
- 3 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97931-39-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.6865 0.1703 -0.0379 C 0 0 0
- -2.1420 0.0374 0.0114 C 0 0 0
- -0.1258 1.4574 -0.0438 C 0 0 0
- 0.1173 -0.9820 -0.1178 C 0 0 0
- -2.9384 1.1973 -0.0970 C 0 0 0
- -2.7256 -1.2167 0.2091 C 0 0 0
- 1.3318 1.5685 0.0212 C 0 0 0
- -0.9644 2.5830 -0.1242 C 0 0 0
- 1.4661 -0.8788 -0.0569 C 0 0 0
- -0.5397 -2.3236 -0.3167 C 0 0 0
- -2.3141 2.4611 -0.1630 C 0 0 0
- -4.3337 1.0508 -0.1272 C 0 0 0
- -1.8555 -2.4199 0.4463 C 0 0 0
- -4.0860 -1.3204 0.1922 C 0 0 0
- 2.1004 0.3799 0.0324 C 0 0 0
- 1.9718 2.8093 0.0713 C 0 0 0
- 2.2908 -2.1078 -0.0839 N 0 3 0
- -4.8806 -0.1912 0.0137 C 0 0 0
- 3.4985 0.4745 0.1214 C 0 0 0
- 3.3335 2.8653 0.1440 C 0 0 0
- 2.6737 -2.5610 -1.1477 O 0 0 0
- 2.5866 -2.6658 0.9576 O 0 5 0
- 4.0925 1.6998 0.1728 C 0 0 0
- -0.5357 3.5425 0.0000 H 0 0 0
- -0.6479 -3.3690 0.0000 H 0 0 0
- 0.4706 -2.6133 0.0000 H 0 0 0
- -2.9084 3.3279 0.0000 H 0 0 0
- -4.9531 1.8998 0.0000 H 0 0 0
- -2.8056 -2.8692 0.0000 H 0 0 0
- -1.5880 -3.4362 0.0000 H 0 0 0
- -4.5344 -2.2709 0.0000 H 0 0 0
- 1.4066 3.6953 0.0000 H 0 0 0
- -5.9264 -0.2953 0.0000 H 0 0 0
- 4.0863 -0.3968 0.0000 H 0 0 0
- 3.8153 3.7993 0.0000 H 0 0 0
- 5.1414 1.7659 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 2 0
- 17 22 1 0
- 19 23 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 1 0
- 14 18 1 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-97-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.5504 -0.5313 0.0000 C 0 0 0
- -0.5504 0.5313 0.0000 C 0 0 0
- 1.9192 0.1524 0.0000 C 0 0 0
- -1.9192 -0.1524 0.0000 C 0 0 0
- -0.3348 -1.2616 0.0000 H 0 0 0
- 1.1759 -1.4934 0.0000 H 0 0 0
- 0.3348 1.2616 0.0000 H 0 0 0
- -1.1759 1.4934 0.0000 H 0 0 0
- 2.4320 -0.8742 0.0000 H 0 0 0
- 2.9458 0.6652 0.0000 H 0 0 0
- 1.4064 1.1790 0.0000 H 0 0 0
- -2.4320 0.8742 0.0000 H 0 0 0
- -2.9458 -0.6652 0.0000 H 0 0 0
- -1.4064 -1.1790 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33389-36-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -2.8838 -0.7553 -0.0702 C 0 0 0
- -2.1481 -1.9623 0.0238 C 0 0 0
- -2.1673 0.4670 -0.1367 C 0 0 0
- -4.2815 -0.7963 -0.0892 C 0 0 0
- -0.8098 -1.9033 0.0462 N 0 0 0
- -2.8367 -3.1821 0.0912 C 0 0 0
- -0.8448 0.4228 -0.1078 N 0 0 0
- -2.8320 1.6713 -0.2296 N 0 0 0
- -4.9203 -1.9998 -0.0168 C 0 0 0
- -0.1900 -0.7364 -0.0185 C 0 0 0
- -4.1997 -3.1878 0.0652 C 0 0 0
- -2.0739 2.9231 -0.2972 C 0 0 0
- 1.2843 -0.7158 0.0096 C 0 0 0
- -3.0441 4.1022 -0.3946 C 0 0 0
- 2.3916 0.6831 -0.0608 S 0 0 0
- 2.1615 -1.7657 0.1026 C 0 0 0
- -3.8901 4.1193 0.7570 O 0 0 0
- 3.9339 -0.2114 0.0303 C 0 0 0
- 3.5110 -1.5010 0.1114 C 0 0 0
- 5.3173 0.3158 0.0235 N 0 3 0
- 6.2614 -0.4506 0.0938 O 0 0 0
- 5.5114 1.5158 -0.0523 O 0 5 0
- -4.8260 0.0798 0.0000 H 0 0 0
- -2.3148 -4.0718 0.0000 H 0 0 0
- -3.8633 1.6920 0.0000 H 0 0 0
- -5.9514 -2.0293 0.0000 H 0 0 0
- -4.7039 -4.0877 0.0000 H 0 0 0
- -1.2572 2.2930 0.0000 H 0 0 0
- -1.3560 3.6639 0.0000 H 0 0 0
- -2.1163 4.5530 0.0000 H 0 0 0
- -3.2652 5.1098 0.0000 H 0 0 0
- 1.8170 -2.7380 0.0000 H 0 0 0
- -4.9214 4.1401 0.0000 H 0 0 0
- 4.1941 -2.2739 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 20 21 2 0
- 20 22 1 0
- 7 10 1 0
- 9 11 1 0
- 18 19 2 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 14 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.5607 0.8775 -0.3386 C 0 0 0
- -0.5607 0.8776 0.3386 C 0 0 0
- 1.8804 0.8776 0.3890 C 0 0 0
- -1.8804 0.8775 -0.3890 C 0 0 0
- 2.8170 -0.5946 -0.0651 Cl 0 0 0
- -2.8170 -0.5946 0.0651 Cl 0 0 0
- 0.5607 -0.1123 0.0000 H 0 0 0
- -0.5607 1.8674 0.0000 H 0 0 0
- 2.8004 1.2427 0.0000 H 0 0 0
- 1.6945 1.8498 0.0000 H 0 0 0
- -1.6946 1.8497 0.0000 H 0 0 0
- -2.8004 1.2425 0.0000 H 0 0 0
- 1 2 2 3
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1615-02-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.1472 -0.4125 0.0046 C 0 0 0
- 0.7410 -1.4934 0.0034 C 0 0 0
- 0.3519 0.8942 0.0034 C 0 0 0
- -1.5993 -0.6490 0.0011 C 0 0 0
- 2.0999 -1.2642 0.0010 C 0 0 0
- 1.7136 1.1082 0.0010 C 0 0 0
- -2.4532 0.3960 0.0022 C 0 0 0
- 2.5872 0.0330 -0.0002 C 0 0 0
- -3.8961 0.1610 -0.0013 C 0 0 0
- 4.3006 0.3122 -0.0027 Cl 0 0 0
- -4.7497 1.2057 -0.0001 O 0 0 0
- -4.3269 -0.9765 -0.0053 O 0 0 0
- 0.3769 -2.4667 0.0000 H 0 0 0
- -0.3022 1.7016 0.0000 H 0 0 0
- -1.9674 -1.6208 0.0000 H 0 0 0
- 2.7608 -2.0661 0.0000 H 0 0 0
- 2.0858 2.0784 0.0000 H 0 0 0
- -2.0851 1.3678 0.0000 H 0 0 0
- -5.4072 2.0104 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103393-70-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.3136 0.7929 -0.1223 C 0 0 0
- 0.2406 -0.4897 -0.2701 C 0 0 0
- 1.6895 1.2163 0.1338 C 0 0 0
- -0.7978 1.7334 -0.1982 C 0 0 0
- 1.6005 -1.0307 -0.1191 C 0 0 0
- -1.1023 -1.0403 -0.5348 C 0 0 0
- 2.4533 -0.0406 0.1174 C 0 0 0
- 1.8988 2.4982 0.3018 C 0 0 0
- -1.9912 1.2456 -0.4384 C 0 0 0
- -0.4630 3.1532 0.0047 C 0 0 0
- 2.1058 -2.4145 -0.1896 C 0 0 0
- -2.1337 -0.2177 -0.6053 C 0 0 0
- 3.8831 -0.3299 0.3069 C 0 0 0
- 0.7976 3.4728 0.2362 C 0 0 0
- 3.3838 -2.6682 -0.0204 C 0 0 0
- -3.5019 -0.7887 -0.8757 C 0 0 0
- 4.3258 -1.5668 0.2433 C 0 0 0
- -4.3035 -1.1943 0.6876 Cl 0 0 0
- -1.2562 -2.1163 0.0000 H 0 0 0
- 2.9227 2.8630 0.0000 H 0 0 0
- -2.8631 1.8947 0.0000 H 0 0 0
- -1.2380 3.9154 0.0000 H 0 0 0
- 1.3987 -3.2400 0.0000 H 0 0 0
- 4.5944 0.4920 0.0000 H 0 0 0
- 1.0540 4.5291 0.0000 H 0 0 0
- 3.7398 -3.6952 0.0000 H 0 0 0
- -3.3892 0.2924 0.0000 H 0 0 0
- -4.3971 -0.1722 0.0000 H 0 0 0
- 5.3948 -1.7635 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 2 0
- 16 18 1 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 15 17 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7269-60-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -2.3125 -0.9763 0.0001 N 0 0 0
- -3.6488 -0.5081 0.0010 O 0 0 0
- -1.2631 -0.0740 0.0012 C 0 0 0
- 0.0691 -0.5207 0.0004 C 0 0 0
- -1.4921 1.2352 -0.0025 N 0 0 0
- 1.0919 0.4429 0.0011 C 0 0 0
- 0.6663 -1.7367 -0.0010 N 0 0 0
- -0.4972 2.1034 -0.0019 C 0 0 0
- 2.2715 -0.2577 0.0001 N 0 0 0
- 0.7655 1.7311 0.0021 N 0 0 0
- 1.9587 -1.5845 -0.0012 C 0 0 0
- 3.6199 0.3151 0.0003 C 0 0 0
- -2.1228 -1.9809 0.0000 H 0 0 0
- -4.6137 -0.1700 0.0000 H 0 0 0
- -0.7157 3.1022 0.0000 H 0 0 0
- 2.6392 -2.3475 0.0000 H 0 0 0
- 4.0196 -0.6259 0.0000 H 0 0 0
- 4.5609 0.7148 0.0000 H 0 0 0
- 3.2202 1.2561 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 4 1 0
- 8 5 2 0
- 9 6 1 0
- 10 6 2 0
- 11 7 2 0
- 12 9 1 0
- 8 10 1 0
- 9 11 1 0
- 1 13 1 0
- 2 14 1 0
- 8 15 1 0
- 11 16 1 0
- 12 17 1 0
- 12 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1074-12-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.2724 0.1103 -0.0010 C 0 0 0
- -1.1846 0.3358 -0.0002 C 0 0 0
- 1.1525 1.1982 0.0003 C 0 0 0
- 0.7823 -1.1925 0.0027 C 0 0 0
- -2.1176 -0.8248 -0.0015 C 0 0 0
- -1.6236 1.4674 0.0017 O 0 0 0
- 2.5132 0.9792 -0.0006 C 0 0 0
- 2.1460 -1.3950 0.0019 C 0 0 0
- -3.3113 -0.6400 -0.0008 O 0 0 0
- 3.0101 -0.3134 -0.0027 C 0 0 0
- 0.7813 2.1681 0.0000 H 0 0 0
- 0.1353 -2.0048 0.0000 H 0 0 0
- -1.7420 -1.7930 0.0000 H 0 0 0
- 3.1675 1.7856 0.0000 H 0 0 0
- 2.5260 -2.3614 0.0000 H 0 0 0
- 4.0363 -0.4722 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5047-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.7329 -0.2807 0.0008 C 0 0 0
- -0.7329 -0.2807 0.0006 C 0 0 0
- 1.4115 0.9588 0.0003 C 0 0 0
- 1.4642 -1.4700 -0.0042 C 0 0 0
- -1.4115 0.9588 -0.0002 C 0 0 0
- -1.4642 -1.4700 0.0017 C 0 0 0
- 2.8136 0.9704 0.0005 C 0 0 0
- 0.6741 2.1657 -0.0009 C 0 0 0
- 2.8292 -1.4252 -0.0043 C 0 0 0
- -2.8136 0.9704 -0.0004 C 0 0 0
- -0.6741 2.1657 -0.0002 C 0 0 0
- -2.8292 -1.4252 0.0019 C 0 0 0
- 3.5004 -0.2081 0.0012 C 0 0 0
- -3.5004 -0.2081 0.0002 C 0 0 0
- 4.9805 -0.1906 0.0009 N 0 3 0
- -4.9805 -0.1906 0.0000 N 0 3 0
- 5.6019 -1.2381 0.0016 O 0 0 0
- 5.5769 0.8714 0.0001 O 0 5 0
- -5.6019 -1.2381 0.0005 O 0 0 0
- -5.5769 0.8714 -0.0007 O 0 5 0
- 0.9694 -2.3902 0.0000 H 0 0 0
- -0.9694 -2.3902 0.0000 H 0 0 0
- 3.3304 1.8784 0.0000 H 0 0 0
- 1.1852 3.0769 0.0000 H 0 0 0
- 3.3751 -2.3160 0.0000 H 0 0 0
- -3.3304 1.8784 0.0000 H 0 0 0
- -1.1852 3.0769 0.0000 H 0 0 0
- -3.3751 -2.3160 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 11 2 0
- 9 13 1 0
- 12 14 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.0687 -0.3500 0.0000 C 0 0 0
- -1.3194 0.5313 0.0000 C 0 0 0
- 1.1791 0.5353 0.0000 C 0 0 0
- -2.5672 -0.3540 0.0000 C 0 0 0
- 2.3799 -0.3109 0.0000 N 0 0 0
- -0.8315 -1.2073 0.0000 H 0 0 0
- 0.6968 -1.2048 0.0000 H 0 0 0
- -0.5566 1.3886 0.0000 H 0 0 0
- -2.0849 1.3861 0.0000 H 0 0 0
- 1.9419 1.3925 0.0000 H 0 0 0
- 0.4136 1.3901 0.0000 H 0 0 0
- -3.2312 0.5818 0.0000 H 0 0 0
- -3.5030 -1.0180 0.0000 H 0 0 0
- -1.9032 -1.2898 0.0000 H 0 0 0
- 2.2765 -1.4537 0.0000 H 0 0 0
- 3.4213 0.1709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-09-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.3943 -0.0041 -0.0013 C 0 0 0
- -0.8279 0.8775 0.0013 C 0 0 0
- 1.6187 0.5461 -0.0001 O 0 0 0
- 0.2722 -1.2061 0.0007 O 0 0 0
- -2.0854 0.0059 -0.0007 C 0 0 0
- -0.1089 1.6679 0.0000 H 0 0 0
- -1.5319 1.6812 0.0000 H 0 0 0
- 2.5933 0.9841 0.0000 H 0 0 0
- -2.6941 0.8841 0.0000 H 0 0 0
- -2.9636 -0.6028 0.0000 H 0 0 0
- -1.4767 -0.8723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25973-55-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 59 1 V2000
- 1.5132 -0.0865 -0.0151 N 0 0 0
- 0.1138 -0.1064 -0.0334 C 0 0 0
- 2.3213 0.0872 1.1165 N 0 0 0
- 2.3553 -0.2429 -1.1242 N 0 0 0
- -0.6009 1.0873 -0.1133 C 0 0 0
- -0.5652 -1.3144 0.0222 C 0 0 0
- 3.6580 0.0432 0.7031 C 0 0 0
- 3.6789 -0.1600 -0.6762 C 0 0 0
- -1.9851 1.0617 -0.1310 C 0 0 0
- 0.0598 2.2747 -0.1733 O 0 0 0
- -1.9476 -1.3313 0.0040 C 0 0 0
- 4.8504 0.1588 1.4013 C 0 0 0
- 4.8920 -0.2459 -1.3423 C 0 0 0
- -2.6557 -0.1466 -0.0699 C 0 0 0
- -2.7614 2.3505 -0.2173 C 0 0 0
- -2.6841 -2.6447 0.0645 C 0 0 0
- 6.0557 0.0757 0.7287 C 0 0 0
- 6.0764 -0.1267 -0.6388 C 0 0 0
- -2.3421 3.2760 0.9266 C 0 0 0
- -2.4719 3.0314 -1.5565 C 0 0 0
- -4.2582 2.0525 -0.1097 C 0 0 0
- -1.6750 -3.7922 0.1402 C 0 0 0
- -3.5797 -2.6705 1.3047 C 0 0 0
- -3.5453 -2.8047 -1.1899 C 0 0 0
- -3.1302 4.5844 0.8389 C 0 0 0
- -2.4227 -5.1257 0.2016 C 0 0 0
- 2.2310 1.0943 0.0000 H 0 0 0
- 2.2941 -1.2521 0.0000 H 0 0 0
- -0.0493 -2.1840 0.0000 H 0 0 0
- 0.5514 3.1582 0.0000 H 0 0 0
- 4.8363 1.1698 0.0000 H 0 0 0
- 4.9070 -1.2569 0.0000 H 0 0 0
- -3.6667 -0.1628 0.0000 H 0 0 0
- 6.7587 0.8024 0.0000 H 0 0 0
- 6.8599 -0.7658 0.0000 H 0 0 0
- -1.5230 2.6832 0.0000 H 0 0 0
- -1.5976 3.9602 0.0000 H 0 0 0
- -1.5414 2.6358 0.0000 H 0 0 0
- -2.0763 3.9619 0.0000 H 0 0 0
- -3.4024 3.4270 0.0000 H 0 0 0
- -4.4556 3.0441 0.0000 H 0 0 0
- -5.2498 1.8551 0.0000 H 0 0 0
- -4.0608 1.0609 0.0000 H 0 0 0
- -0.8544 -4.3828 0.0000 H 0 0 0
- -0.9957 -3.0433 0.0000 H 0 0 0
- -3.6088 -1.6598 0.0000 H 0 0 0
- -4.5904 -2.6996 0.0000 H 0 0 0
- -3.5506 -3.6812 0.0000 H 0 0 0
- -3.7300 -1.8106 0.0000 H 0 0 0
- -4.5394 -2.9894 0.0000 H 0 0 0
- -3.3606 -3.7988 0.0000 H 0 0 0
- -2.2641 5.1061 0.0000 H 0 0 0
- -3.6519 5.4505 0.0000 H 0 0 0
- -3.9963 4.0627 0.0000 H 0 0 0
- -3.3046 -4.6312 0.0000 H 0 0 0
- -2.9172 -6.0076 0.0000 H 0 0 0
- -1.5408 -5.6202 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 2 0
- 15 19 1 0
- 15 20 1 0
- 15 21 1 0
- 16 22 1 0
- 16 23 1 0
- 16 24 1 0
- 19 25 1 0
- 22 26 1 0
- 7 8 2 0
- 11 14 2 0
- 17 18 1 0
- 3 27 1 0
- 4 28 1 0
- 6 29 1 0
- 10 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 25 54 1 0
- 26 55 1 0
- 26 56 1 0
- 26 57 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-30-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.4329 -0.0001 0.0019 C 0 0 0
- -0.7383 -1.2022 0.0013 C 0 0 0
- -0.7381 1.2024 0.0014 C 0 0 0
- -2.8323 -0.0001 -0.0027 N 0 0 0
- 0.6430 -1.2013 0.0002 C 0 0 0
- 0.6428 1.2015 0.0002 C 0 0 0
- 1.3360 -0.0001 -0.0004 C 0 0 0
- 2.6960 -0.0001 -0.0011 O 0 0 0
- -1.2580 -2.1033 0.0000 H 0 0 0
- -1.2578 2.1035 0.0000 H 0 0 0
- -3.3524 0.9008 0.0000 H 0 0 0
- -3.3524 -0.9010 0.0000 H 0 0 0
- 1.1636 -2.1019 0.0000 H 0 0 0
- 1.1634 2.1021 0.0000 H 0 0 0
- 3.7362 -0.0001 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 7 8 1 0
- 6 7 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6270-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- -2.0566 0.0964 0.0838 N 0 0 0
- -2.8228 1.1303 -0.6163 C 0 0 0
- -2.7229 -0.7819 1.0486 C 0 0 0
- -0.6927 -0.0558 -0.1728 C 0 0 0
- -2.6458 2.4700 0.1014 C 0 0 0
- -3.0617 -2.1140 0.3765 C 0 0 0
- 0.2271 0.3385 0.7737 C 0 0 0
- -0.2739 -0.6129 -1.3874 C 0 0 0
- -1.4093 3.0646 -0.2982 O 0 0 0
- -1.8964 -2.9404 0.3428 O 0 0 0
- 1.5982 0.1835 0.5123 C 0 0 0
- 1.0471 -0.7732 -1.6634 C 0 0 0
- 2.0132 -0.3765 -0.7220 C 0 0 0
- 2.5675 0.5742 1.4528 C 0 0 0
- 3.3859 -0.5299 -0.9809 C 0 0 0
- 3.8879 0.4102 1.1669 C 0 0 0
- 4.2958 -0.1404 -0.0467 C 0 0 0
- -3.7274 1.5112 0.0000 H 0 0 0
- -3.4291 0.3584 0.0000 H 0 0 0
- -3.2204 0.0642 0.0000 H 0 0 0
- -3.6947 -0.9201 0.0000 H 0 0 0
- -2.8934 3.4198 0.0000 H 0 0 0
- -3.6255 2.4093 0.0000 H 0 0 0
- -3.9762 -1.7576 0.0000 H 0 0 0
- -3.5273 -2.9781 0.0000 H 0 0 0
- 0.0841 1.3096 0.0000 H 0 0 0
- -0.7646 -1.4630 0.0000 H 0 0 0
- -0.5247 3.4900 0.0000 H 0 0 0
- -1.0958 -3.5082 0.0000 H 0 0 0
- 1.1787 -1.7459 0.0000 H 0 0 0
- 2.4405 1.5475 0.0000 H 0 0 0
- 3.5293 -1.5009 0.0000 H 0 0 0
- 4.3827 1.2579 0.0000 H 0 0 0
- 5.2432 -0.3969 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 1 0
- 11 7 1 0
- 12 8 2 0
- 13 11 2 0
- 14 11 1 0
- 15 13 1 0
- 16 14 2 0
- 17 15 2 0
- 12 13 1 0
- 16 17 1 0
- 2 18 1 0
- 2 19 1 0
- 3 20 1 0
- 3 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 17 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-93-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.9207 0.0000 0.3389 C 0 0 0
- -0.2242 -1.2492 -0.2045 C 0 0 0
- -0.2242 1.2492 -0.2045 C 0 0 0
- -2.2889 0.0000 -0.0737 O 0 0 0
- 1.2406 -1.2492 0.2372 C 0 0 0
- 1.2406 1.2492 0.2372 C 0 0 0
- 1.9371 0.0000 -0.3061 C 0 0 0
- 0.1520 0.0000 0.0000 H 0 0 0
- -1.2358 -1.6060 0.0000 H 0 0 0
- -0.0432 -2.3065 0.0000 H 0 0 0
- -0.0432 2.3065 0.0000 H 0 0 0
- -1.2358 1.6060 0.0000 H 0 0 0
- -3.3616 0.0000 0.0000 H 0 0 0
- 1.0596 -2.3065 0.0000 H 0 0 0
- 2.2522 -1.6060 0.0000 H 0 0 0
- 2.2522 1.6060 0.0000 H 0 0 0
- 1.0596 2.3065 0.0000 H 0 0 0
- 2.7623 -0.6854 0.0000 H 0 0 0
- 2.7623 0.6854 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 4 3 1 V2000
- -0.6898 0.0000 0.0000 C 0 0 0
- 0.5178 0.0000 0.0000 O 0 0 0
- -1.1427 0.7844 0.0000 H 0 0 0
- -1.1427 -0.7844 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 2.1040 0.0000 0.0022 N 0 0 0
- 2.8365 -1.2687 0.0032 C 0 0 0
- 2.8365 1.2687 -0.0046 C 0 0 0
- 0.7040 0.0001 0.0018 C 0 0 0
- 0.0098 1.2024 0.0009 C 0 0 0
- 0.0096 -1.2027 -0.0032 C 0 0 0
- -1.3713 1.2025 0.0006 C 0 0 0
- -1.3711 -1.2026 -0.0036 C 0 0 0
- -2.0655 0.0001 0.0013 C 0 0 0
- -3.4655 0.0001 0.0010 N 0 0 0
- 1.9344 -1.7895 0.0000 H 0 0 0
- 3.3573 -2.1708 0.0000 H 0 0 0
- 3.7386 -0.7479 0.0000 H 0 0 0
- 3.7386 0.7479 0.0000 H 0 0 0
- 3.3573 2.1708 0.0000 H 0 0 0
- 1.9344 1.7895 0.0000 H 0 0 0
- 0.5306 2.1044 0.0000 H 0 0 0
- 0.5304 -2.1048 0.0000 H 0 0 0
- -1.8921 2.1046 0.0000 H 0 0 0
- -1.8919 -2.1046 0.0000 H 0 0 0
- -3.9863 0.9022 0.0000 H 0 0 0
- -3.9863 -0.9020 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 8 9 1 0
- 2 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -1.1968 0.9603 -0.0024 C 0 0 0
- -1.1602 -0.5058 -0.0015 C 0 0 0
- -0.0002 1.6803 -0.0023 C 0 0 0
- -2.4440 1.6189 0.0025 C 0 0 0
- -0.0001 -1.1565 -0.0006 N 0 0 0
- -2.3806 -1.2086 -0.0011 C 0 0 0
- 1.1970 0.9603 -0.0014 C 0 0 0
- -3.5887 0.8919 0.0080 C 0 0 0
- 1.1604 -0.5058 -0.0005 C 0 0 0
- -3.5654 -0.5099 -0.0016 C 0 0 0
- 2.4438 1.6188 -0.0017 C 0 0 0
- 2.3803 -1.2085 0.0009 C 0 0 0
- -4.7690 -1.2108 -0.0016 N 0 0 0
- 3.5889 0.8916 -0.0012 C 0 0 0
- 3.5656 -0.5098 0.0014 C 0 0 0
- 4.7691 -1.2107 0.0029 N 0 0 0
- -0.0003 2.7279 0.0000 H 0 0 0
- -2.4859 2.6656 0.0000 H 0 0 0
- -2.3860 -2.2562 0.0000 H 0 0 0
- -4.5109 1.3888 0.0000 H 0 0 0
- 2.4856 2.6655 0.0000 H 0 0 0
- 2.3856 -2.2561 0.0000 H 0 0 0
- -5.6782 -0.6904 0.0000 H 0 0 0
- -4.7651 -2.2584 0.0000 H 0 0 0
- 4.5111 1.3885 0.0000 H 0 0 0
- 4.7652 -2.2583 0.0000 H 0 0 0
- 5.6783 -0.6903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 2 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 16 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-147293-15-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3809 -0.4186 0.0018 C 0 0 0
- -1.0758 -0.4056 0.0012 C 0 0 0
- 1.0594 0.8048 0.0007 C 0 0 0
- 1.3137 -1.3987 -0.0022 N 0 0 0
- -1.7514 0.8416 -0.0003 C 0 0 0
- -1.8404 -1.5797 0.0017 C 0 0 0
- 2.4081 0.4946 0.0016 N 0 0 0
- 0.3497 2.0080 -0.0004 C 0 0 0
- 2.5114 -0.8653 0.0007 C 0 0 0
- -1.0077 2.0351 -0.0013 C 0 0 0
- -3.1545 0.8408 -0.0013 C 0 0 0
- -3.2005 -1.4750 0.0006 C 0 0 0
- 3.5188 1.4499 0.0006 C 0 0 0
- 3.6963 -1.5724 -0.0020 N 0 0 0
- -3.8091 -0.2977 -0.0008 N 0 0 0
- -1.3811 -2.5105 0.0000 H 0 0 0
- 0.8734 2.9041 0.0000 H 0 0 0
- -1.5024 2.9476 0.0000 H 0 0 0
- -3.6745 1.7391 0.0000 H 0 0 0
- -3.7739 -2.3402 0.0000 H 0 0 0
- 4.1956 0.6630 0.0000 H 0 0 0
- 4.3057 2.1267 0.0000 H 0 0 0
- 2.8420 2.2368 0.0000 H 0 0 0
- 3.6813 -2.6102 0.0000 H 0 0 0
- 4.6026 -1.0665 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 7 9 1 0
- 8 10 1 0
- 12 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-614-48-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 3.6525 0.2884 -0.0008 C 0 0 0
- 2.3277 0.9463 -0.0008 C 0 0 0
- 4.8173 1.0577 -0.0013 C 0 0 0
- 3.7435 -1.1050 0.0053 C 0 0 0
- 1.1098 0.1373 -0.0004 C 0 0 0
- 2.2515 2.1611 -0.0011 O 0 0 0
- 6.0497 0.4378 -0.0014 C 0 0 0
- 4.9819 -1.7120 0.0052 C 0 0 0
- -0.1001 0.7381 -0.0003 C 0 0 0
- 6.1328 -0.9433 -0.0011 C 0 0 0
- -1.3255 -0.0757 0.0001 C 0 0 0
- -2.5805 0.5428 0.0002 C 0 0 0
- -1.2421 -1.4721 -0.0053 C 0 0 0
- -3.7241 -0.2270 0.0006 C 0 0 0
- -2.3955 -2.2278 -0.0048 C 0 0 0
- -3.6331 -1.6084 0.0010 C 0 0 0
- -5.0528 0.4252 0.0012 N 0 3 0
- -6.0643 -0.2534 0.0016 O 0 0 0
- -5.1348 1.6404 0.0012 O 0 5 0
- 4.7563 2.0939 0.0000 H 0 0 0
- 2.8811 -1.6826 0.0000 H 0 0 0
- 1.1749 -0.8986 0.0000 H 0 0 0
- 6.9166 1.0087 0.0000 H 0 0 0
- 5.0509 -2.7477 0.0000 H 0 0 0
- -0.1651 1.7740 0.0000 H 0 0 0
- 7.0625 -1.4050 0.0000 H 0 0 0
- -2.6503 1.5784 0.0000 H 0 0 0
- -0.3146 -1.9381 0.0000 H 0 0 0
- -2.3353 -3.2640 0.0000 H 0 0 0
- -4.4977 -2.1827 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 9 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 17 18 2 0
- 17 19 1 0
- 8 10 1 0
- 15 16 2 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-94500-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.4191 0.3111 0.1247 C 0 0 0
- -0.7507 1.0913 0.1360 C 0 0 0
- 1.6667 0.9241 -0.0884 C 0 0 0
- 0.3299 -1.1338 0.3409 C 0 0 0
- -2.0075 0.4824 0.3505 C 0 0 0
- -0.6570 2.4871 -0.0681 C 0 0 0
- 2.8626 0.0837 -0.0942 C 0 0 0
- 1.7347 2.3156 -0.2884 C 0 0 0
- 1.4817 -1.9024 0.3293 C 0 0 0
- -0.9862 -1.7330 0.5651 C 0 0 0
- -2.0942 -0.9606 0.5604 C 0 0 0
- -3.1517 1.2823 0.3565 C 0 0 0
- 0.6101 3.0746 -0.2806 C 0 0 0
- -1.8286 3.2540 -0.0546 C 0 0 0
- 2.7381 -1.3132 0.1129 C 0 0 0
- 4.1304 0.6409 -0.3012 C 0 0 0
- -3.4414 -1.5964 0.7884 C 0 0 0
- -3.0489 2.6473 0.1553 C 0 0 0
- 3.9002 -2.1102 0.1051 C 0 0 0
- 5.2324 -0.1613 -0.3021 C 0 0 0
- -4.1519 -2.0833 -0.7956 Cl 0 0 0
- 5.1156 -1.5342 -0.0991 C 0 0 0
- 2.6700 2.7838 0.0000 H 0 0 0
- 1.4034 -2.9454 0.0000 H 0 0 0
- -1.0810 -2.7747 0.0000 H 0 0 0
- -4.0968 0.8342 0.0000 H 0 0 0
- 0.6934 4.1172 0.0000 H 0 0 0
- -1.7668 4.2981 0.0000 H 0 0 0
- 4.2427 1.6808 0.0000 H 0 0 0
- -3.4107 -0.5509 0.0000 H 0 0 0
- -4.3595 -1.0952 0.0000 H 0 0 0
- -3.9167 3.2312 0.0000 H 0 0 0
- 3.8173 -3.1529 0.0000 H 0 0 0
- 6.1839 0.2732 0.0000 H 0 0 0
- 5.9750 -2.1304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 11 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 13 2 0
- 9 15 1 0
- 10 11 2 0
- 14 18 2 0
- 20 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-620-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.2282 -1.0695 -0.0322 C 0 0 0
- -1.0614 -1.6064 -0.0527 N 0 0 0
- 0.8477 -0.7917 1.1802 C 0 0 0
- 0.8963 -0.8173 -1.2236 C 0 0 0
- -2.1716 -0.7585 -0.0310 C 0 0 0
- 2.1224 -0.2615 1.1968 C 0 0 0
- 2.1713 -0.2869 -1.1997 C 0 0 0
- -3.4489 -1.2871 0.1098 C 0 0 0
- -2.0006 0.6153 -0.1446 C 0 0 0
- 2.7827 -0.0068 0.0084 C 0 0 0
- -4.5438 -0.4462 0.1313 C 0 0 0
- -3.1003 1.4507 -0.1224 C 0 0 0
- 4.1491 0.5621 0.0301 N 0 3 0
- -4.3703 0.9209 0.0127 C 0 0 0
- 4.7319 0.7870 -1.0155 O 0 0 0
- 4.6907 0.8054 1.0936 O 0 5 0
- -5.5678 1.8355 0.0365 C 0 0 0
- -1.1945 -2.6332 0.0000 H 0 0 0
- 0.4370 0.1588 0.0000 H 0 0 0
- 1.2780 -1.7798 0.0000 H 0 0 0
- 1.7372 0.6996 0.0000 H 0 0 0
- 2.5858 -1.2357 0.0000 H 0 0 0
- -3.5844 -2.3136 0.0000 H 0 0 0
- -1.0464 1.0172 0.0000 H 0 0 0
- -5.4996 -0.8445 0.0000 H 0 0 0
- -2.9689 2.4778 0.0000 H 0 0 0
- -4.9393 2.6584 0.0000 H 0 0 0
- -6.3907 2.4640 0.0000 H 0 0 0
- -6.1963 1.0126 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 13 15 2 0
- 13 16 1 0
- 14 17 1 0
- 7 10 2 0
- 12 14 2 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-756-79-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -0.0092 -0.3184 -0.0026 P 0 0 0
- -0.8418 0.8543 0.7210 O 0 0 0
- 1.5460 -0.1967 0.3956 O 0 0 0
- -0.6491 -1.9386 0.5348 C 0 0 0
- -0.1539 -0.1929 -1.4702 O 0 0 0
- -2.0385 1.0398 -0.0378 C 0 0 0
- 1.9782 1.1007 -0.0190 C 0 0 0
- -1.6277 -1.5521 0.0000 H 0 0 0
- -1.0356 -2.9172 0.0000 H 0 0 0
- 0.3295 -2.3251 0.0000 H 0 0 0
- -1.8773 2.0795 0.0000 H 0 0 0
- -3.0782 1.2010 0.0000 H 0 0 0
- -2.1997 0.0001 0.0000 H 0 0 0
- 2.9764 0.7682 0.0000 H 0 0 0
- 2.3107 2.0989 0.0000 H 0 0 0
- 0.9800 1.4332 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-555-66-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 44 1 V2000
- 2.5315 0.2656 -0.6897 C 0 0 0
- 3.3724 -0.6561 -0.0934 C 0 0 0
- 2.9100 1.5916 -0.7837 C 0 0 0
- 1.2021 -0.1778 -1.2439 C 0 0 0
- 4.5972 -0.2512 0.4114 C 0 0 0
- 4.1314 2.0024 -0.2818 C 0 0 0
- 0.1331 -0.0668 -0.1549 C 0 0 0
- 4.9785 1.0842 0.3167 C 0 0 0
- 5.4252 -1.1563 0.9985 O 0 0 0
- -1.1963 -0.5103 -0.7091 C 0 0 0
- 6.1799 1.4865 0.8107 O 0 0 0
- 4.7612 -2.4204 0.9428 C 0 0 0
- -2.3851 -0.4963 0.1429 C 0 0 0
- -1.2805 -0.8789 -1.8619 O 0 0 0
- -3.5624 -0.8890 -0.3479 C 0 0 0
- -4.7873 -0.8745 0.5299 C 0 0 0
- -5.8402 0.0537 -0.0790 C 0 0 0
- -7.0838 0.0683 0.8122 C 0 0 0
- -8.1366 0.9965 0.2033 C 0 0 0
- -9.3802 1.0111 1.0945 C 0 0 0
- 3.1335 -1.5689 0.0000 H 0 0 0
- 2.2275 2.2432 0.0000 H 0 0 0
- 0.7620 -1.0125 0.0000 H 0 0 0
- 1.8127 -0.8972 0.0000 H 0 0 0
- 4.3654 2.9165 0.0000 H 0 0 0
- 0.5732 0.7679 0.0000 H 0 0 0
- -0.4775 0.6526 0.0000 H 0 0 0
- 7.0747 1.7861 0.0000 H 0 0 0
- 3.9258 -1.9816 0.0000 H 0 0 0
- 4.3224 -3.2558 0.0000 H 0 0 0
- 5.5966 -2.8592 0.0000 H 0 0 0
- -2.5309 0.4360 0.0000 H 0 0 0
- -3.4167 -1.8213 0.0000 H 0 0 0
- -5.5860 -1.3770 0.0000 H 0 0 0
- -4.5312 -1.7827 0.0000 H 0 0 0
- -5.0415 0.5562 0.0000 H 0 0 0
- -6.0964 0.9619 0.0000 H 0 0 0
- -7.8825 -0.4342 0.0000 H 0 0 0
- -6.8277 -0.8399 0.0000 H 0 0 0
- -7.3379 1.4990 0.0000 H 0 0 0
- -8.3927 1.9047 0.0000 H 0 0 0
- -9.3691 1.9546 0.0000 H 0 0 0
- -10.3237 1.0222 0.0000 H 0 0 0
- -9.3913 0.0676 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 6 8 2 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64371-62-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 3.5436 -0.1439 -0.1226 C 0 0 0
- 2.0374 -0.1059 -0.0907 C 0 0 0
- 4.2902 1.1915 -0.1401 C 0 0 0
- 4.2465 0.3546 1.0174 O 0 0 0
- 4.1621 -1.3165 -0.8863 C 0 0 0
- 1.3354 -1.1260 0.5251 C 0 0 0
- 1.3622 0.9521 -0.6727 C 0 0 0
- -0.0443 -1.0963 0.5573 C 0 0 0
- -0.0169 0.9919 -0.6464 C 0 0 0
- -0.7295 -0.0362 -0.0322 C 0 0 0
- -2.2127 0.0009 -0.0012 C 0 0 0
- -2.8777 1.2064 0.2150 C 0 0 0
- -2.9454 -1.1682 -0.1940 C 0 0 0
- -4.2571 1.2352 0.2424 C 0 0 0
- -4.3249 -1.1278 -0.1646 C 0 0 0
- -4.9797 0.0704 0.0556 C 0 0 0
- 5.2686 1.5145 0.0000 H 0 0 0
- 3.6344 1.9862 0.0000 H 0 0 0
- 3.2508 -1.7972 0.0000 H 0 0 0
- 4.6428 -2.2278 0.0000 H 0 0 0
- 5.0734 -0.8358 0.0000 H 0 0 0
- 1.8050 -2.0431 0.0000 H 0 0 0
- 1.8704 1.8484 0.0000 H 0 0 0
- -0.5466 -1.9959 0.0000 H 0 0 0
- -0.4816 1.9115 0.0000 H 0 0 0
- -2.3446 2.0881 0.0000 H 0 0 0
- -2.4597 -2.0769 0.0000 H 0 0 0
- -4.7486 2.1407 0.0000 H 0 0 0
- -4.8634 -2.0062 0.0000 H 0 0 0
- -6.0096 0.0988 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 6 8 1 0
- 7 9 2 0
- 8 10 2 0
- 10 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 3 4 1 0
- 9 10 1 0
- 15 16 2 0
- 3 17 1 0
- 3 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112-53-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 38 1 V2000
- -0.1780 -0.4036 -0.0044 C 0 0 0
- -1.4284 0.4781 0.0052 C 0 0 0
- 1.0701 0.4813 0.0053 C 0 0 0
- -2.6765 -0.4068 -0.0044 C 0 0 0
- 2.3204 -0.4004 -0.0044 C 0 0 0
- -3.9268 0.4749 0.0052 C 0 0 0
- 3.5685 0.4846 0.0053 C 0 0 0
- -5.1749 -0.4100 -0.0045 C 0 0 0
- 4.8189 -0.3971 -0.0043 C 0 0 0
- -6.4253 0.4717 0.0051 C 0 0 0
- 6.0670 0.4878 0.0053 C 0 0 0
- -7.6734 -0.4132 -0.0045 C 0 0 0
- 7.2348 -0.3357 -0.0037 O 0 0 0
- -0.9410 -1.2606 0.0000 H 0 0 0
- 0.5872 -1.2586 0.0000 H 0 0 0
- -0.6654 1.3351 0.0000 H 0 0 0
- -2.1936 1.3331 0.0000 H 0 0 0
- 1.8332 1.3383 0.0000 H 0 0 0
- 0.3049 1.3364 0.0000 H 0 0 0
- -3.4396 -1.2638 0.0000 H 0 0 0
- -1.9113 -1.2619 0.0000 H 0 0 0
- 1.5574 -1.2574 0.0000 H 0 0 0
- 3.0857 -1.2554 0.0000 H 0 0 0
- -3.1637 1.3319 0.0000 H 0 0 0
- -4.6920 1.3300 0.0000 H 0 0 0
- 4.3315 1.3416 0.0000 H 0 0 0
- 2.8032 1.3396 0.0000 H 0 0 0
- -5.9379 -1.2670 0.0000 H 0 0 0
- -4.4097 -1.2650 0.0000 H 0 0 0
- 4.0559 -1.2541 0.0000 H 0 0 0
- 5.5841 -1.2521 0.0000 H 0 0 0
- -5.6623 1.3287 0.0000 H 0 0 0
- -7.1905 1.3267 0.0000 H 0 0 0
- 6.8301 1.3448 0.0000 H 0 0 0
- 5.3018 1.3428 0.0000 H 0 0 0
- -8.3371 0.5229 0.0000 H 0 0 0
- -8.6095 -1.0769 0.0000 H 0 0 0
- -7.0097 -1.3493 0.0000 H 0 0 0
- 8.1726 -0.9970 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 1 14 1 0
- 1 15 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 7 27 1 0
- 8 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13306-69-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- 1.6741 -0.2430 0.1819 P 0 0 0
- 0.6262 -0.4931 1.3783 O 0 0 0
- 3.1678 -0.5351 0.7070 O 0 0 0
- 1.3339 -1.2290 -1.0445 O 0 0 0
- 1.5520 1.5261 -0.3911 S 0 0 0
- -0.6025 -0.1583 0.9010 C 0 0 0
- 4.0548 -0.1950 -0.3605 C 0 0 0
- 0.6114 -0.4578 -2.0063 C 0 0 0
- -1.5081 -1.1523 0.5599 C 0 0 0
- -0.9515 1.1765 0.7610 C 0 0 0
- -2.7561 -0.8132 0.0757 C 0 0 0
- -2.1994 1.5175 0.2768 C 0 0 0
- -3.1045 0.5233 -0.0698 C 0 0 0
- -3.7395 -1.8932 -0.2953 C 0 0 0
- -4.3687 0.8677 -0.5610 N 0 0 0
- 4.4066 -1.1126 0.0000 H 0 0 0
- 4.9724 0.1568 0.0000 H 0 0 0
- 3.7030 0.7226 0.0000 H 0 0 0
- 1.3286 0.2141 0.0000 H 0 0 0
- -0.0605 0.2594 0.0000 H 0 0 0
- -0.1058 -1.1297 0.0000 H 0 0 0
- -1.2334 -2.0958 0.0000 H 0 0 0
- -0.2528 1.8675 0.0000 H 0 0 0
- -2.4736 2.4612 0.0000 H 0 0 0
- -4.4661 -1.2316 0.0000 H 0 0 0
- -4.4011 -2.6198 0.0000 H 0 0 0
- -3.0129 -2.5548 0.0000 H 0 0 0
- -4.6191 1.8180 0.0000 H 0 0 0
- -5.0665 0.1757 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 9 11 2 0
- 10 12 1 0
- 11 13 1 0
- 11 14 1 0
- 13 15 1 0
- 12 13 2 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-08-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -1.1269 0.7057 -0.0023 C 0 0 0
- -1.1269 -0.7058 -0.0020 C 0 0 0
- 0.0768 1.3958 -0.0013 C 0 0 0
- -2.5453 1.1107 0.0024 C 0 0 0
- 0.0769 -1.3958 -0.0009 C 0 0 0
- -2.5452 -1.1108 -0.0032 C 0 0 0
- 1.2742 0.6919 -0.0002 C 0 0 0
- 0.0862 3.1317 -0.0022 Cl 0 0 0
- -3.3088 -0.0001 0.0051 O 0 0 0
- -2.9562 2.2533 0.0039 O 0 0 0
- 1.2742 -0.6919 0.0000 C 0 0 0
- 0.0864 -3.1317 -0.0001 Cl 0 0 0
- -2.9561 -2.2534 -0.0033 O 0 0 0
- 2.7809 1.5541 0.0003 Cl 0 0 0
- 2.7810 -1.5539 0.0020 Cl 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 6 9 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2314-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4244 -0.3118 0.0574 C 0 0 0
- -1.8827 -0.0685 0.0183 C 0 0 0
- 0.7682 0.9624 -0.1820 S 0 0 0
- 0.1024 -1.5065 0.2813 C 0 0 0
- -2.7313 -0.9930 -0.5925 C 0 0 0
- -2.4166 1.0836 0.5968 C 0 0 0
- 2.3477 0.1579 -0.0393 C 0 0 0
- 1.8639 -1.5239 0.2768 S 0 0 0
- -4.0905 -0.7602 -0.6256 C 0 0 0
- -3.7780 1.3047 0.5568 C 0 0 0
- 3.9185 0.8262 -0.1690 S 0 0 0
- -4.6131 0.3871 -0.0551 C 0 0 0
- -0.4668 -2.3702 0.0000 H 0 0 0
- -2.3968 -1.9719 0.0000 H 0 0 0
- -1.7915 1.9078 0.0000 H 0 0 0
- -4.7219 -1.5796 0.0000 H 0 0 0
- -4.1188 2.2814 0.0000 H 0 0 0
- -5.6351 0.5473 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 7 8 1 0
- 10 12 2 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6755-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -0.6069 0.0218 -0.0035 C 0 0 0
- -1.7772 -0.6501 -0.0028 O 0 0 0
- -0.8954 1.3708 -0.0010 C 0 0 0
- 0.6864 -0.5549 -0.0011 C 0 0 0
- -2.7932 0.2238 0.0001 C 0 0 0
- -2.2943 1.4799 0.0012 C 0 0 0
- 1.7841 0.2416 -0.0022 C 0 0 0
- -4.2308 -0.1298 0.0010 N 0 3 0
- 3.0769 -0.3349 0.0003 C 0 0 0
- -5.0741 0.7490 0.0037 O 0 0 0
- -4.5702 -1.2996 -0.0010 O 0 5 0
- 4.1677 0.4567 -0.0008 N 0 0 0
- 3.2034 -1.5461 0.0034 O 0 0 0
- 5.5057 -0.1400 0.0017 C 0 0 0
- 6.5589 0.9698 -0.0002 C 0 0 0
- -0.2255 2.1362 0.0000 H 0 0 0
- 0.7921 -1.5666 0.0000 H 0 0 0
- -2.8324 2.3431 0.0000 H 0 0 0
- 1.6784 1.2533 0.0000 H 0 0 0
- 4.0620 1.4684 0.0000 H 0 0 0
- 4.9891 -1.0162 0.0000 H 0 0 0
- 6.3179 -0.7523 0.0000 H 0 0 0
- 7.2967 0.2696 0.0000 H 0 0 0
- 7.2591 1.7076 0.0000 H 0 0 0
- 5.8211 1.6700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 2 0
- 8 11 1 0
- 9 12 1 0
- 9 13 2 0
- 12 14 1 0
- 14 15 1 0
- 5 6 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 12 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100333-37-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.1007 0.0301 -0.0032 C 0 0 0
- -1.2340 -0.9102 -0.0528 C 0 0 0
- -0.6277 1.3414 0.0811 C 0 0 0
- 1.2893 -0.1465 -0.0292 C 0 0 0
- -2.3942 -0.1292 0.0007 C 0 0 0
- -1.4080 -2.2827 -0.1340 C 0 0 0
- -2.1001 1.2360 0.0815 C 0 0 0
- 0.2420 2.4259 0.1443 C 0 0 0
- 2.1369 0.9599 0.0365 C 0 0 0
- 1.8779 -1.4971 -0.1249 C 0 0 0
- -3.6905 -0.6507 -0.0240 C 0 0 0
- -2.6943 -2.8180 -0.1588 C 0 0 0
- -3.1766 2.1045 0.1387 C 0 0 0
- 1.6098 2.2332 0.1237 C 0 0 0
- 3.6284 0.7493 0.0076 C 0 0 0
- 3.1425 -1.6856 0.2287 C 0 0 0
- -3.8237 -2.0470 -0.1067 C 0 0 0
- -4.7560 0.2640 0.0355 C 0 0 0
- -4.4765 1.6007 0.1145 C 0 0 0
- 3.9830 -0.5463 0.7345 C 0 0 0
- 4.0722 0.6715 -1.3485 O 0 0 0
- 5.3649 -0.8455 0.5276 O 0 0 0
- -0.5757 -2.9171 0.0000 H 0 0 0
- -0.1437 3.3987 0.0000 H 0 0 0
- 1.2413 -2.3277 0.0000 H 0 0 0
- -2.8012 -3.8590 0.0000 H 0 0 0
- -3.0155 3.1385 0.0000 H 0 0 0
- 2.2507 3.0605 0.0000 H 0 0 0
- 3.7919 1.7829 0.0000 H 0 0 0
- 3.5439 -2.6521 0.0000 H 0 0 0
- -4.7712 -2.4912 0.0000 H 0 0 0
- -5.7468 -0.0728 0.0000 H 0 0 0
- -5.2745 2.2777 0.0000 H 0 0 0
- 2.9542 -0.3546 0.0000 H 0 0 0
- 5.1030 0.4908 0.0000 H 0 0 0
- 6.3877 -1.0669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 11 18 1 0
- 13 19 1 0
- 15 20 1 0
- 15 21 1 0
- 20 22 1 0
- 5 7 1 0
- 9 14 1 0
- 12 17 1 0
- 16 20 1 0
- 18 19 2 0
- 6 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4394-00-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.2666 0.6139 0.6331 C 0 0 0
- -2.9997 -0.4515 0.0810 C 0 0 0
- -0.9772 0.4001 1.0861 N 0 0 0
- -2.8022 1.8220 0.7164 N 0 0 0
- -4.3027 -0.2102 -0.3706 C 0 0 0
- -2.4078 -1.7965 -0.0198 C 0 0 0
- 0.1000 0.4975 0.2006 C 0 0 0
- -4.0255 2.0701 0.2916 C 0 0 0
- -4.8124 1.0706 -0.2529 C 0 0 0
- -3.0622 -2.7730 -0.6790 O 0 0 0
- -1.3295 -2.0258 0.4915 O 0 0 0
- 1.3811 0.1682 0.6240 C 0 0 0
- -0.1094 0.9184 -1.1067 C 0 0 0
- 2.4432 0.2656 -0.2536 C 0 0 0
- 0.9568 1.0135 -1.9789 C 0 0 0
- 2.2322 0.6908 -1.5522 C 0 0 0
- 3.8336 -0.0914 0.2050 C 0 0 0
- 4.7331 0.0856 -0.8518 F 0 0 0
- 4.1995 0.7358 1.2723 F 0 0 0
- 3.8591 -1.4271 0.6203 F 0 0 0
- -1.0126 -0.5533 0.0000 H 0 0 0
- -4.9082 -0.9475 0.0000 H 0 0 0
- -4.3543 2.9657 0.0000 H 0 0 0
- -5.7566 1.2076 0.0000 H 0 0 0
- -3.5933 -3.5656 0.0000 H 0 0 0
- 1.3048 -0.7828 0.0000 H 0 0 0
- -0.9420 1.3842 0.0000 H 0 0 0
- 1.0325 1.9646 0.0000 H 0 0 0
- 2.8314 1.4333 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 14 17 1 0
- 17 18 1 0
- 17 19 1 0
- 17 20 1 0
- 8 9 2 0
- 15 16 1 0
- 3 21 1 0
- 5 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19408-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 51 1 V2000
- 3.5394 0.7438 -0.2882 C 0 0 0
- 4.1828 -0.4313 -0.6293 C 0 0 0
- 4.0943 1.5913 0.6527 C 0 0 0
- 2.2335 1.1048 -0.9479 C 0 0 0
- 5.3865 -0.7619 -0.0278 C 0 0 0
- 5.2949 1.2674 1.2566 C 0 0 0
- 1.1231 0.5563 -0.1654 N 0 0 0
- 5.9450 0.0911 0.9192 C 0 0 0
- 6.0204 -1.9178 -0.3618 O 0 0 0
- -0.1478 0.7551 -0.5679 C 0 0 0
- 7.1261 -0.2290 1.5124 O 0 0 0
- 5.2090 -2.5648 -1.3441 C 0 0 0
- -1.2900 0.1909 0.2371 C 0 0 0
- -0.3721 1.3880 -1.5778 O 0 0 0
- -2.6159 0.5574 -0.4327 C 0 0 0
- -3.7756 -0.0155 0.3845 C 0 0 0
- -5.1014 0.3511 -0.2853 C 0 0 0
- -6.2611 -0.2218 0.5319 C 0 0 0
- -7.5870 0.1447 -0.1379 C 0 0 0
- -8.7467 -0.4281 0.6794 C 0 0 0
- -10.0726 -0.0616 0.0095 C 0 0 0
- -8.6160 -1.9507 0.7523 C 0 0 0
- 3.5812 -1.1923 0.0000 H 0 0 0
- 3.7491 2.4979 0.0000 H 0 0 0
- 2.7409 1.9316 0.0000 H 0 0 0
- 1.5797 1.8215 0.0000 H 0 0 0
- 5.8933 2.0310 0.0000 H 0 0 0
- 1.2698 -0.4026 0.0000 H 0 0 0
- 8.0624 -0.4828 0.0000 H 0 0 0
- 4.6042 -1.8063 0.0000 H 0 0 0
- 4.4505 -3.1696 0.0000 H 0 0 0
- 5.8138 -3.3233 0.0000 H 0 0 0
- -1.7974 -0.6359 0.0000 H 0 0 0
- -0.6362 -0.5258 0.0000 H 0 0 0
- -2.1085 1.3842 0.0000 H 0 0 0
- -3.2697 1.2741 0.0000 H 0 0 0
- -4.2831 -0.8423 0.0000 H 0 0 0
- -3.1218 -0.7322 0.0000 H 0 0 0
- -4.5939 1.1779 0.0000 H 0 0 0
- -5.7552 1.0678 0.0000 H 0 0 0
- -6.7685 -1.0486 0.0000 H 0 0 0
- -5.6073 -0.9385 0.0000 H 0 0 0
- -7.0796 0.9715 0.0000 H 0 0 0
- -8.2408 0.8614 0.0000 H 0 0 0
- -8.8383 0.5377 0.0000 H 0 0 0
- -9.8141 0.8734 0.0000 H 0 0 0
- -11.0076 0.1969 0.0000 H 0 0 0
- -10.3311 -0.9966 0.0000 H 0 0 0
- -9.5825 -2.0337 0.0000 H 0 0 0
- -8.5330 -2.9172 0.0000 H 0 0 0
- -7.6495 -1.8677 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 6 8 1 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 7 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 15 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 19 43 1 0
- 19 44 1 0
- 20 45 1 0
- 21 46 1 0
- 21 47 1 0
- 21 48 1 0
- 22 49 1 0
- 22 50 1 0
- 22 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-37-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.8172 0.0713 0.4619 C 0 0 0
- 0.0014 -1.2153 0.2560 C 0 0 0
- 0.0597 1.2367 -0.0409 C 0 0 0
- -2.0978 0.0000 -0.3721 C 0 0 0
- 1.3471 -0.7868 -0.3648 C 0 0 0
- 1.5069 0.6941 0.0599 C 0 0 0
- -1.3381 1.0464 0.0000 H 0 0 0
- -0.9789 -1.7263 0.0000 H 0 0 0
- 0.4262 -2.2359 0.0000 H 0 0 0
- 0.5447 2.2301 0.0000 H 0 0 0
- -0.8830 1.8142 0.0000 H 0 0 0
- -2.1593 1.1038 0.0000 H 0 0 0
- -3.2016 -0.0615 0.0000 H 0 0 0
- -2.0363 -1.1038 0.0000 H 0 0 0
- 1.5338 -1.8764 0.0000 H 0 0 0
- 2.4521 -0.7524 0.0000 H 0 0 0
- 2.5922 0.4840 0.0000 H 0 0 0
- 1.8071 1.7581 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20562-03-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-133141 1 V2000
- -7.3643 -0.6506 0.8937 C 0 0 2
- -8.8406 -0.9007 1.1653 C 0 0 0
- -7.3839 0.3276 -0.3071 C 0 0 0
- -6.5543 -1.8685 0.4881 C 0 0 0
- -6.7190 0.0252 2.1052 C 0 0 0
- -9.5340 0.4703 0.8614 C 0 0 0
- -9.4297 -1.8547 0.0888 C 0 0 0
- -6.0044 0.9435 -0.4250 C 0 0 0
- -8.5065 1.2983 0.0477 C 0 0 0
- -5.1456 -1.3632 0.1204 C 0 0 0
- -10.6450 0.1575 -0.0323 N 0 0 0
- -10.8637 -1.3081 0.0187 C 0 0 0
- -8.7256 -1.6122 -1.2478 C 0 0 0
- -5.0374 0.1269 0.4482 C 0 0 0
- -6.0092 2.3808 0.1047 C 0 0 0
- -11.9169 0.7537 0.3241 C 0 0 0
- -11.6432 -1.6830 -1.2307 C 0 0 0
- -3.6178 0.6208 0.2120 C 0 0 2
- -4.5983 2.8926 0.1673 C 0 0 0
- -12.8979 0.4712 -0.8265 C 0 0 0
- -13.0316 -1.0285 -1.0868 C 0 0 0
- -3.5538 2.1276 0.1999 C 0 0 0
- -3.0466 0.0815 -1.0974 C 0 0 0
- -2.7324 0.1095 1.3502 C 0 0 0
- -14.2701 1.0532 -0.4813 C 0 0 0
- -2.1642 2.7420 0.1874 C 0 0 0
- -2.0112 1.0572 -1.6557 C 0 0 0
- -1.2420 1.7454 -0.5296 C 0 0 2
- -0.7839 0.7644 0.4031 O 0 0 0
- 0.6439 0.7763 0.3470 C 0 0 2
- 1.0813 0.0340 -0.7897 O 0 0 0
- 1.2098 0.1504 1.6238 C 0 0 1
- 2.4897 0.2223 -0.9123 C 0 0 1
- 2.7408 0.2016 1.5690 C 0 0 2
- 0.7490 0.8857 2.7593 O 0 0 0
- 3.2067 -0.4488 0.2614 C 0 0 2
- 2.9743 -0.3945 -2.2260 C 0 0 0
- 3.2815 -0.5189 2.6783 O 0 0 0
- 4.6180 -0.2754 0.1196 O 0 0 0
- 2.4050 0.3187 -3.3256 O 0 0 0
- 5.2175 -1.5489 0.3661 C 0 0 2
- 6.7075 -1.3628 0.6612 C 0 0 2
- 5.0522 -2.3820 -0.7798 O 0 0 0
- 7.3497 -0.7840 -0.4767 O 0 0 0
- 7.3322 -2.7304 0.9597 C 0 0 1
- 5.4970 -3.6911 -0.4294 C 0 0 2
- 7.7274 0.5437 -0.1069 C 0 0 2
- 7.0100 -3.6803 -0.1995 C 0 0 2
- 8.7491 -2.5906 1.0812 O 0 0 0
- 5.1602 -4.6641 -1.5611 C 0 0 0
- 8.0307 1.3574 -1.3670 C 0 0 1
- 8.8839 0.4943 0.7264 O 0 0 0
- 7.4513 -4.9992 0.1287 O 0 0 0
- 8.3990 2.7888 -0.9605 C 0 0 1
- 9.1271 0.7634 -2.0651 O 0 0 0
- 9.1175 1.8123 1.2191 C 0 0 2
- 9.5346 2.7298 0.0675 C 0 0 2
- 8.8361 3.5134 -2.1120 O 0 0 0
- 10.2293 1.7745 2.2694 C 0 0 0
- 9.7887 4.0423 0.5723 O 0 0 0
- -8.2802 -1.7328 0.0000 H 0 0 0
- -8.2921 -0.0988 0.0000 H 0 0 0
- -7.4318 -2.3548 0.0000 H 0 0 0
- -6.1404 -2.7824 0.0000 H 0 0 0
- -5.9934 -0.6677 0.0000 H 0 0 0
- -6.0261 0.7508 0.0000 H 0 0 0
- -7.4446 0.7181 0.0000 H 0 0 0
- -9.9941 1.3619 0.0000 H 0 0 0
- -9.4460 -2.8578 0.0000 H 0 0 0
- -5.0952 1.3676 0.0000 H 0 0 0
- -7.8061 2.0166 0.0000 H 0 0 0
- -9.1816 2.0404 0.0000 H 0 0 0
- -4.9409 -2.3454 0.0000 H 0 0 0
- -4.1445 -1.2966 0.0000 H 0 0 0
- -10.8215 -2.3105 0.0000 H 0 0 0
- -8.3989 -2.5608 0.0000 H 0 0 0
- -7.7770 -1.2855 0.0000 H 0 0 0
- -9.0523 -0.6636 0.0000 H 0 0 0
- -5.9621 -0.2624 0.0000 H 0 0 0
- -6.2410 3.3569 0.0000 H 0 0 0
- -7.0055 2.2625 0.0000 H 0 0 0
- -11.2536 1.5064 0.0000 H 0 0 0
- -12.4536 1.6014 0.0000 H 0 0 0
- -12.2645 -2.4707 0.0000 H 0 0 0
- -11.0158 -2.4659 0.0000 H 0 0 0
- -4.4562 3.8858 0.0000 H 0 0 0
- -12.8374 1.4727 0.0000 H 0 0 0
- -14.0136 -0.8232 0.0000 H 0 0 0
- -13.3504 -1.9798 0.0000 H 0 0 0
- -3.7494 -0.6345 0.0000 H 0 0 0
- -2.3445 -0.6351 0.0000 H 0 0 0
- -3.2341 -0.7593 0.0000 H 0 0 0
- -1.8636 -0.3922 0.0000 H 0 0 0
- -2.2307 0.9783 0.0000 H 0 0 0
- -13.8784 1.9768 0.0000 H 0 0 0
- -15.1937 1.4449 0.0000 H 0 0 0
- -14.6618 0.1296 0.0000 H 0 0 0
- -1.3574 3.3384 0.0000 H 0 0 0
- -2.6683 3.6094 0.0000 H 0 0 0
- -2.2251 2.0374 0.0000 H 0 0 0
- -2.9696 1.3538 0.0000 H 0 0 0
- -0.4093 2.3051 0.0000 H 0 0 0
- 1.0472 1.6949 0.0000 H 0 0 0
- 0.8181 -0.7732 0.0000 H 0 0 0
- 2.7955 1.1778 0.0000 H 0 0 0
- 3.1743 1.1064 0.0000 H 0 0 0
- 0.2162 1.7358 0.0000 H 0 0 0
- 2.8958 -1.4027 0.0000 H 0 0 0
- 2.6058 -1.3277 0.0000 H 0 0 0
- 3.9671 -0.2496 0.0000 H 0 0 0
- 3.8837 -1.3213 0.0000 H 0 0 0
- 1.7791 1.1028 0.0000 H 0 0 0
- 4.2217 -1.6710 0.0000 H 0 0 0
- 6.2903 -0.4504 0.0000 H 0 0 0
- 6.3302 -2.7813 0.0000 H 0 0 0
- 4.4937 -3.6882 0.0000 H 0 0 0
- 6.7741 0.8564 0.0000 H 0 0 0
- 8.0133 -3.6824 0.0000 H 0 0 0
- 9.7475 -2.4921 0.0000 H 0 0 0
- 4.2121 -4.3359 0.0000 H 0 0 0
- 4.8320 -5.6122 0.0000 H 0 0 0
- 6.1083 -4.9923 0.0000 H 0 0 0
- 7.0735 1.6580 0.0000 H 0 0 0
- 7.7696 -5.9506 0.0000 H 0 0 0
- 7.4739 3.1770 0.0000 H 0 0 0
- 10.0092 0.2855 0.0000 H 0 0 0
- 8.1593 2.1098 0.0000 H 0 0 0
- 10.4904 2.4247 0.0000 H 0 0 0
- 9.3543 4.3725 0.0000 H 0 0 0
- 10.1952 0.7718 0.0000 H 0 0 0
- 11.2320 1.7404 0.0000 H 0 0 0
- 10.2634 2.7772 0.0000 H 0 0 0
- 9.9794 5.0273 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 11 16 1 0
- 12 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 18 24 1 0
- 20 25 1 0
- 22 26 1 0
- 23 27 1 0
- 26 28 1 0
- 28 29 1 0
- 30 29 1 0
- 30 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 1 0
- 34 38 1 0
- 36 39 1 0
- 37 40 1 0
- 41 39 1 0
- 41 42 1 0
- 41 43 1 0
- 42 44 1 0
- 42 45 1 0
- 43 46 1 0
- 47 44 1 0
- 45 48 1 0
- 45 49 1 0
- 46 50 1 0
- 47 51 1 0
- 47 52 1 0
- 48 53 1 0
- 51 54 1 0
- 51 55 1 0
- 52 56 1 0
- 54 57 1 0
- 54 58 1 0
- 56 59 1 0
- 57 60 1 0
- 6 9 1 0
- 10 14 1 0
- 11 12 1 0
- 19 22 2 0
- 20 21 1 0
- 27 28 1 0
- 34 36 1 0
- 46 48 1 0
- 56 57 1 0
- 2 61 1 0
- 3 62 1 0
- 4 63 1 0
- 4 64 1 0
- 5 65 1 0
- 5 66 1 0
- 5 67 1 0
- 6 68 1 0
- 7 69 1 0
- 8 70 1 0
- 9 71 1 0
- 9 72 1 0
- 10 73 1 0
- 10 74 1 0
- 12 75 1 0
- 13 76 1 0
- 13 77 1 0
- 13 78 1 0
- 14 79 1 0
- 15 80 1 0
- 15 81 1 0
- 16 82 1 0
- 16 83 1 0
- 17 84 1 0
- 17 85 1 0
- 19 86 1 0
- 20 87 1 0
- 21 88 1 0
- 21 89 1 0
- 23 90 1 0
- 23 91 1 0
- 24 92 1 0
- 24 93 1 0
- 24 94 1 0
- 25 95 1 0
- 25 96 1 0
- 25 97 1 0
- 26 98 1 0
- 26 99 1 0
- 27100 1 0
- 27101 1 0
- 28102 1 0
- 30103 1 0
- 32104 1 0
- 33105 1 0
- 34106 1 0
- 35107 1 0
- 36108 1 0
- 37109 1 0
- 37110 1 0
- 38111 1 0
- 40112 1 0
- 41113 1 0
- 42114 1 0
- 45115 1 0
- 46116 1 0
- 47117 1 0
- 48118 1 0
- 49119 1 0
- 50120 1 0
- 50121 1 0
- 50122 1 0
- 51123 1 0
- 53124 1 0
- 54125 1 0
- 55126 1 0
- 56127 1 0
- 57128 1 0
- 58129 1 0
- 59130 1 0
- 59131 1 0
- 59132 1 0
- 60133 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-69-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 4.4619 -0.0303 -0.0009 C 0 0 0
- 3.3059 0.8805 -0.0005 C 0 0 0
- 5.7621 0.4844 -0.0006 C 0 0 0
- 4.2658 -1.4152 0.0042 C 0 0 0
- 2.0529 0.3802 -0.0009 C 0 0 0
- 6.8402 -0.3756 -0.0010 C 0 0 0
- 5.3538 -2.2618 0.0037 C 0 0 0
- 0.9042 1.2851 -0.0005 C 0 0 0
- 6.6378 -1.7446 -0.0018 C 0 0 0
- -0.3486 0.7849 -0.0008 O 0 0 0
- 1.0784 2.4888 0.0002 O 0 0 0
- -1.2395 1.9022 -0.0003 C 0 0 0
- -2.6636 1.4091 -0.0006 C 0 0 0
- -2.9143 0.1074 -0.0013 C 0 0 0
- -4.3111 -0.3762 -0.0017 C 0 0 0
- -4.5783 -1.7455 -0.0024 C 0 0 0
- -5.3681 0.5349 0.0046 C 0 0 0
- -5.8846 -2.1905 -0.0023 C 0 0 0
- -6.6695 0.0771 0.0047 C 0 0 0
- -6.9278 -1.2822 -0.0014 C 0 0 0
- 3.4545 1.9077 0.0000 H 0 0 0
- 5.9154 1.5109 0.0000 H 0 0 0
- 3.3036 -1.8045 0.0000 H 0 0 0
- 1.9043 -0.6470 0.0000 H 0 0 0
- 7.8059 0.0049 0.0000 H 0 0 0
- 5.2098 -3.2897 0.0000 H 0 0 0
- 7.4531 -2.3870 0.0000 H 0 0 0
- -0.3601 2.4534 0.0000 H 0 0 0
- -1.6878 2.8383 0.0000 H 0 0 0
- -3.4481 2.0887 0.0000 H 0 0 0
- -2.1298 -0.5722 0.0000 H 0 0 0
- -3.7963 -2.4280 0.0000 H 0 0 0
- -5.1756 1.5548 0.0000 H 0 0 0
- -6.0847 -3.2089 0.0000 H 0 0 0
- -7.4565 0.7538 0.0000 H 0 0 0
- -7.9086 -1.6218 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 6 9 2 0
- 8 10 1 0
- 8 11 2 0
- 10 12 1 0
- 12 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 7 9 1 0
- 19 20 1 0
- 2 21 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 9 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-76180-96-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.3737 -0.4269 -0.0014 C 0 0 0
- -1.0861 -0.4336 -0.0006 C 0 0 0
- 1.0370 0.8038 -0.0007 C 0 0 0
- 1.3123 -1.3927 0.0026 N 0 0 0
- -1.7785 0.8016 0.0008 C 0 0 0
- -1.8172 -1.6284 -0.0016 C 0 0 0
- 2.3905 0.5094 -0.0017 N 0 0 0
- 0.3112 1.9962 0.0007 C 0 0 0
- 2.5061 -0.8494 -0.0006 C 0 0 0
- -1.0462 2.0040 0.0014 C 0 0 0
- -3.1152 0.8105 0.0011 N 0 0 0
- -3.1838 -1.5498 -0.0013 C 0 0 0
- 3.4912 1.4762 -0.0016 C 0 0 0
- 3.6967 -1.5460 0.0021 N 0 0 0
- -3.8052 -0.3052 0.0001 C 0 0 0
- -1.3355 -2.5488 0.0000 H 0 0 0
- 0.8228 2.9004 0.0000 H 0 0 0
- -1.5524 2.9112 0.0000 H 0 0 0
- -3.7554 -2.4173 0.0000 H 0 0 0
- 4.1768 0.6957 0.0000 H 0 0 0
- 4.2717 2.1618 0.0000 H 0 0 0
- 2.8056 2.2567 0.0000 H 0 0 0
- 3.6907 -2.5848 0.0000 H 0 0 0
- 4.5994 -1.0318 0.0000 H 0 0 0
- -4.8430 -0.2581 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 6 16 1 0
- 8 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70897-83-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- -3.0959 0.0000 0.8464 O 0 0 0
- -2.0889 0.0000 -0.1675 C 0 0 0
- -1.1686 1.2209 0.0228 C 0 0 0
- -1.1686 -1.2209 0.0228 C 0 0 0
- 0.2265 0.7724 -0.4206 C 0 0 0
- 0.2265 -0.7724 -0.4206 C 0 0 0
- 0.4023 0.0000 -1.6025 O 0 0 0
- 1.4042 1.4562 0.2257 C 0 0 0
- 1.4042 -1.4562 0.2258 C 0 0 0
- 2.3767 0.7311 0.7594 C 0 0 0
- 2.3767 -0.7311 0.7595 C 0 0 0
- -4.1173 0.0000 0.0000 H 0 0 0
- -2.5446 0.9141 0.0000 H 0 0 0
- -0.7496 2.1524 0.0000 H 0 0 0
- -2.0476 1.7410 0.0000 H 0 0 0
- -2.0476 -1.7410 0.0000 H 0 0 0
- -0.7496 -2.1524 0.0000 H 0 0 0
- 1.4627 2.4759 0.0000 H 0 0 0
- 1.4627 -2.4759 0.0000 H 0 0 0
- 3.2896 1.1892 0.0000 H 0 0 0
- 3.2896 -1.1892 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 1 0
- 10 8 2 0
- 11 9 2 0
- 5 6 1 0
- 6 7 1 0
- 10 11 1 0
- 1 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106671-91-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.3785 0.2559 0.0271 C 0 0 0
- -1.2717 -0.9015 -0.0826 C 0 0 0
- 1.0985 0.2347 0.0236 C 0 0 0
- -1.1547 1.3253 0.1241 N 0 0 0
- -2.5819 -0.3756 -0.0316 N 0 0 0
- -0.9270 -2.1602 -0.2027 N 0 0 0
- 1.8126 1.2229 -0.6583 C 0 0 0
- 1.7873 -0.7708 0.7073 C 0 0 0
- -2.4250 0.9724 0.0880 C 0 0 0
- -3.8681 -0.8583 -0.0767 C 0 0 0
- -1.7844 -3.0213 -0.2841 O 0 0 0
- 3.1913 1.1977 -0.6573 C 0 0 0
- 3.1657 -0.7848 0.7006 C 0 0 0
- -4.0506 1.5637 0.1385 S 0 0 0
- -4.8911 -0.0044 0.0053 C 0 0 0
- 3.8681 0.1953 0.0179 C 0 0 0
- 5.6039 0.1706 0.0143 Cl 0 0 0
- 1.3577 2.1334 0.0000 H 0 0 0
- 1.3081 -1.6688 0.0000 H 0 0 0
- -4.0386 -1.8618 0.0000 H 0 0 0
- 3.6771 2.0921 0.0000 H 0 0 0
- 3.6261 -1.6925 0.0000 H 0 0 0
- -5.8903 -0.1982 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 2 0
- 12 16 2 0
- 16 17 1 0
- 5 9 1 0
- 13 16 1 0
- 14 15 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 15 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-62826-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.0984 -0.4108 0.3923 C 0 0 0
- -1.0948 0.5072 0.0928 C 0 0 0
- 1.2714 0.0687 0.7982 C 0 0 0
- -0.3647 -1.7643 0.3235 C 0 0 0
- -2.3548 0.0627 -0.2801 C 0 0 0
- -0.8370 1.8395 0.1652 O 0 0 0
- 2.1463 0.2264 -0.4470 C 0 0 0
- -1.6231 -2.2049 -0.0434 C 0 0 0
- -2.6146 -1.2924 -0.3524 C 0 0 0
- -2.0438 2.5140 -0.1961 C 0 0 0
- 3.5370 0.7132 -0.0348 C 0 0 0
- 3.2686 -0.6534 -0.3551 O 0 0 0
- 1.5697 1.0594 0.0000 H 0 0 0
- 0.5238 0.7839 0.0000 H 0 0 0
- 0.4171 -2.4419 0.0000 H 0 0 0
- -3.1390 0.7375 0.0000 H 0 0 0
- 1.8828 1.2269 0.0000 H 0 0 0
- -1.8323 -3.2181 0.0000 H 0 0 0
- -3.5971 -1.6166 0.0000 H 0 0 0
- -1.5390 3.4171 0.0000 H 0 0 0
- -2.9469 3.0188 0.0000 H 0 0 0
- -2.5486 1.6109 0.0000 H 0 0 0
- 4.5714 0.6956 0.0000 H 0 0 0
- 3.3723 1.7346 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 9 2 0
- 11 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1663-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.2303 -0.7669 0.0903 O 0 0 0
- -1.5041 -0.0772 -0.0099 C 0 0 0
- 0.9208 -0.0675 0.0378 C 0 0 0
- -1.5594 0.7032 -1.3248 C 0 0 0
- -2.6418 -1.0996 0.0246 C 0 0 0
- -1.6533 0.8917 1.1648 C 0 0 0
- 2.2091 -0.7739 0.0111 C 0 0 0
- 0.8932 1.1473 0.0126 O 0 0 0
- 3.3456 -0.0834 -0.0408 C 0 0 0
- -0.5581 0.7742 0.0000 H 0 0 0
- -1.6304 1.7045 0.0000 H 0 0 0
- -2.5607 0.6322 0.0000 H 0 0 0
- -3.3127 -0.3530 0.0000 H 0 0 0
- -3.3884 -1.7705 0.0000 H 0 0 0
- -1.9709 -1.8462 0.0000 H 0 0 0
- -0.6612 1.0445 0.0000 H 0 0 0
- -1.8061 1.8838 0.0000 H 0 0 0
- -2.6454 0.7389 0.0000 H 0 0 0
- 2.2314 -1.7774 0.0000 H 0 0 0
- 4.2259 -0.5657 0.0000 H 0 0 0
- 3.3232 0.9201 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 1 0
- 8 3 2 0
- 9 7 2 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-616-44-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.0809 0.0625 0.0021 C 0 0 0
- -0.5127 -1.1976 0.0011 C 0 0 0
- -0.2705 1.1490 0.0015 C 0 0 0
- -2.5790 0.2258 -0.0024 C 0 0 0
- 0.8382 -1.3095 -0.0005 C 0 0 0
- 1.3504 0.4007 -0.0006 S 0 0 0
- -1.1377 -2.0826 0.0000 H 0 0 0
- -0.5372 2.1991 0.0000 H 0 0 0
- -2.4616 1.3029 0.0000 H 0 0 0
- -3.6561 0.3432 0.0000 H 0 0 0
- -2.6964 -0.8513 0.0000 H 0 0 0
- 1.4487 -2.2046 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74940-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -0.7434 1.4923 -0.0119 P 0 0 0
- -0.2247 -0.2154 -0.3836 C 0 0 0
- 0.4676 2.5032 -0.3340 O 0 0 0
- -2.0178 1.8754 -0.9181 O 0 0 0
- -1.1061 1.5973 1.4192 O 0 0 0
- 0.9425 -0.5507 0.4124 O 0 0 0
- -1.3647 -1.1791 -0.0482 C 0 0 0
- 1.2649 2.5830 0.8492 C 0 0 0
- -2.4619 3.1621 -0.4833 C 0 0 0
- 2.1734 -0.3216 -0.0717 C 0 0 0
- -0.8517 -2.8680 -0.4158 Cl 0 0 0
- -1.7718 -1.0423 1.7029 Cl 0 0 0
- -2.8141 -0.7626 -1.0364 Cl 0 0 0
- 3.3848 -0.7316 0.7254 C 0 0 0
- 2.3100 0.2134 -1.1464 O 0 0 0
- 4.8789 -0.2930 -0.1837 Cl 0 0 0
- -0.0156 -1.1913 0.0000 H 0 0 0
- 1.3643 1.5899 0.0000 H 0 0 0
- 2.2580 2.6824 0.0000 H 0 0 0
- 1.1655 3.5761 0.0000 H 0 0 0
- -1.5185 3.4877 0.0000 H 0 0 0
- -2.7875 4.1055 0.0000 H 0 0 0
- -3.4053 2.8365 0.0000 H 0 0 0
- 2.7840 -1.5286 0.0000 H 0 0 0
- 3.9526 -1.5524 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 7 13 1 0
- 10 14 1 0
- 10 15 2 0
- 14 16 1 0
- 2 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 14 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63041-90-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.7398 0.1503 -0.0026 C 0 0 0
- -2.1406 0.0226 0.0013 C 0 0 0
- -0.1558 1.4402 0.0054 C 0 0 0
- 0.0695 -1.0088 -0.0203 C 0 0 0
- -2.9554 1.1764 0.0126 C 0 0 0
- -2.7311 -1.2634 -0.0067 C 0 0 0
- 1.3148 1.5637 0.0012 C 0 0 0
- -0.9704 2.5675 0.0175 C 0 0 0
- 1.5263 -0.8750 -0.0238 C 0 0 0
- -0.5322 -2.2722 -0.0339 C 0 0 0
- -2.3521 2.4453 0.0199 C 0 0 0
- -4.3583 1.0364 0.0160 C 0 0 0
- -1.9174 -2.3985 -0.0180 C 0 0 0
- -4.1905 -1.3664 -0.0024 C 0 0 0
- 2.1186 0.3960 -0.0106 C 0 0 0
- 1.9175 2.8135 0.0083 C 0 0 0
- 2.3791 -2.0870 -0.0419 N 0 3 0
- -4.9494 -0.2170 0.0083 C 0 0 0
- 3.5225 0.5250 -0.0150 C 0 0 0
- 3.3039 2.9165 0.0039 C 0 0 0
- 2.7258 -2.5720 -1.1040 O 0 0 0
- 2.7908 -2.6812 1.1757 O 0 5 0
- 4.0956 1.7809 -0.0077 C 0 0 0
- -0.5335 3.5241 0.0000 H 0 0 0
- 0.0691 -3.1350 0.0000 H 0 0 0
- -2.9525 3.3087 0.0000 H 0 0 0
- -4.9649 1.8955 0.0000 H 0 0 0
- -2.3548 -3.3549 0.0000 H 0 0 0
- -4.6559 -2.3095 0.0000 H 0 0 0
- 1.3256 3.6828 0.0000 H 0 0 0
- -5.9984 -0.2921 0.0000 H 0 0 0
- 4.1311 -0.3327 0.0000 H 0 0 0
- 3.7556 3.8662 0.0000 H 0 0 0
- 5.1430 1.8758 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 17 21 2 0
- 17 22 1 0
- 19 23 2 0
- 8 11 2 0
- 9 15 2 0
- 10 13 2 0
- 14 18 2 0
- 20 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6098-45-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- -2.6830 -0.0593 -0.4168 C 0 0 0
- -4.0728 -0.5755 -0.3614 C 0 0 0
- -2.2609 0.2741 0.8681 C 0 0 0
- -1.8118 0.1171 -1.4948 C 0 0 0
- -4.5196 -0.5649 0.9576 C 0 0 0
- -4.9239 -1.0326 -1.3693 C 0 0 0
- -3.3989 -0.0265 1.8128 C 0 0 0
- -0.9963 0.7785 1.0761 C 0 0 0
- -0.5482 0.6232 -1.2850 C 0 0 0
- -5.7906 -1.0019 1.2641 C 0 0 0
- -6.1942 -1.4680 -1.0531 C 0 0 0
- -0.1336 0.9571 -0.0001 C 0 0 0
- -6.6289 -1.4537 0.2598 C 0 0 0
- 1.1478 1.4680 0.2095 N 0 0 0
- 2.0618 0.7184 0.5032 O 0 0 0
- 1.3742 2.7909 0.0870 C 0 0 0
- 2.7101 0.0398 -0.4591 C 0 0 0
- 1.8435 3.5884 1.2765 C 0 0 0
- 1.2002 3.3399 -0.9812 O 0 0 0
- 3.8189 -0.8696 -0.1028 C 0 0 0
- 2.3844 0.1743 -1.6221 O 0 0 0
- 4.4945 -1.5760 -1.0999 C 0 0 0
- 4.1994 -1.0220 1.2316 C 0 0 0
- 5.5285 -2.4233 -0.7604 C 0 0 0
- 5.2355 -1.8728 1.5574 C 0 0 0
- 5.8969 -2.5741 0.5650 C 0 0 0
- -1.6044 -0.5771 0.0000 H 0 0 0
- -4.6341 -1.6967 0.0000 H 0 0 0
- -3.2534 0.6833 0.0000 H 0 0 0
- -3.9702 0.4192 0.0000 H 0 0 0
- -1.2048 1.4724 0.0000 H 0 0 0
- -0.1822 -0.0021 0.0000 H 0 0 0
- -6.0812 -0.3382 0.0000 H 0 0 0
- -6.0869 -2.1846 0.0000 H 0 0 0
- -7.3343 -1.6194 0.0000 H 0 0 0
- 2.4680 3.2209 0.0000 H 0 0 0
- 2.2110 4.2129 0.0000 H 0 0 0
- 1.2190 3.9559 0.0000 H 0 0 0
- 4.0022 -2.1076 0.0000 H 0 0 0
- 4.5683 -0.3984 0.0000 H 0 0 0
- 5.1575 -3.0457 0.0000 H 0 0 0
- 5.7300 -1.3432 0.0000 H 0 0 0
- 6.4943 -2.9842 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 2 0
- 20 22 1 0
- 20 23 2 0
- 22 24 2 0
- 23 25 1 0
- 24 26 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 25 26 2 0
- 4 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 10 33 1 0
- 11 34 1 0
- 13 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
- 25 42 1 0
- 26 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-89-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- 1.3104 0.1896 -0.0033 C 0 0 0
- 0.0865 -0.4875 -0.0027 C 0 0 0
- 1.3276 1.5879 -0.0014 C 0 0 0
- 2.5735 -0.5656 0.0002 C 0 0 0
- -1.0925 0.2271 -0.0002 C 0 0 0
- 0.1397 2.2884 0.0011 C 0 0 0
- 3.8900 0.1679 -0.0005 C 0 0 0
- 2.5550 -1.7780 0.0036 O 0 0 0
- -1.0671 1.6112 0.0017 C 0 0 0
- -2.3886 -0.4874 0.0000 N 0 3 0
- -3.4312 0.1424 0.0022 O 0 0 0
- -2.4128 -1.7051 -0.0020 O 0 5 0
- 0.0660 -1.5254 0.0000 H 0 0 0
- 2.2321 2.0972 0.0000 H 0 0 0
- 0.1508 3.3264 0.0000 H 0 0 0
- 4.3952 -0.7389 0.0000 H 0 0 0
- 4.7968 0.6731 0.0000 H 0 0 0
- 3.3848 1.0747 0.0000 H 0 0 0
- -1.9580 2.1439 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 10 12 1 0
- 6 9 2 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-873-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -1.5159 -0.2060 -0.2620 C 0 0 0
- -0.7555 -1.3423 -0.0590 C 0 0 0
- -0.9035 1.0310 -0.3429 C 0 0 0
- -3.0124 -0.3161 -0.4014 C 0 0 0
- 0.6178 -1.2425 0.0632 C 0 0 0
- 0.4693 1.1320 -0.2208 C 0 0 0
- -3.6441 0.4447 0.6302 O 0 0 0
- 1.2310 -0.0052 -0.0176 C 0 0 0
- 2.9556 0.1209 0.1358 Cl 0 0 0
- -1.2086 -2.2703 0.0000 H 0 0 0
- -1.4800 1.8878 0.0000 H 0 0 0
- -3.9253 -0.7989 0.0000 H 0 0 0
- -2.7271 -1.3086 0.0000 H 0 0 0
- 1.1937 -2.0997 0.0000 H 0 0 0
- 0.9218 2.0603 0.0000 H 0 0 0
- -4.3038 1.2392 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 8 9 1 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15743-13-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -1.2310 0.0000 -0.0001 C 0 0 0
- -0.3053 -1.1977 0.0000 C 0 0 0
- -0.3053 1.1977 0.0003 C 0 0 0
- -2.2589 0.0002 -1.4813 Cl 0 0 0
- -2.2595 -0.0002 1.4808 Cl 0 0 0
- 1.0652 -0.6721 0.0003 C 0 0 0
- -0.6325 -2.3652 0.0001 O 0 0 0
- 1.0652 0.6721 0.0005 C 0 0 0
- -0.6325 2.3652 0.0004 O 0 0 0
- 2.4957 -1.6556 -0.0001 Cl 0 0 0
- 2.4957 1.6556 0.0000 Cl 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 3 9 2 0
- 6 10 1 0
- 8 11 1 0
- 6 8 2 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-396-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.3529 0.6344 -0.0030 C 0 0 0
- -0.6477 -0.7518 -0.0009 C 0 0 0
- 0.9852 1.0597 -0.0023 C 0 0 0
- -1.4149 1.5580 0.0002 C 0 0 0
- 0.4116 -1.6766 0.0013 C 0 0 0
- -1.9201 -1.1609 -0.0007 N 0 0 0
- 1.9861 0.1339 0.0003 C 0 0 0
- -2.6916 1.0720 0.0051 C 0 0 0
- 1.6971 -1.2316 0.0015 C 0 0 0
- -2.9118 -0.3034 -0.0023 C 0 0 0
- 3.2736 0.5433 0.0005 F 0 0 0
- 1.2103 2.0695 0.0000 H 0 0 0
- -1.2337 2.5766 0.0000 H 0 0 0
- 0.2139 -2.6922 0.0000 H 0 0 0
- -3.4942 1.7249 0.0000 H 0 0 0
- 2.4728 -1.9162 0.0000 H 0 0 0
- -3.8839 -0.6577 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 9 1 0
- 8 10 2 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86674-49-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.3545 -0.2145 -0.0008 C 0 0 0
- -1.5754 0.2458 -0.0171 C 0 0 0
- 0.7901 0.7158 -0.0094 C 0 0 0
- -0.1008 -1.6661 0.0326 C 0 0 0
- -1.8207 1.7000 -0.0443 C 0 0 0
- -2.7249 -0.6769 -0.0081 C 0 0 0
- 2.1435 0.1335 0.0106 C 0 0 0
- 0.5772 2.0099 -0.0338 C 0 0 0
- 1.1391 -2.0961 0.0489 C 0 0 0
- -1.2443 -2.5938 0.0462 C 0 0 0
- -0.8060 2.5314 -0.0522 C 0 0 0
- -3.2216 2.1562 -0.0611 C 0 0 0
- -2.4789 -2.1285 0.0184 C 0 0 0
- -3.9400 -0.1814 -0.0244 C 0 0 0
- 2.2825 -1.1748 0.0350 C 0 0 0
- 3.2343 0.9374 0.0034 N 0 3 0
- 1.3723 -3.4376 0.0798 O 0 0 0
- -4.1901 1.2653 -0.0514 C 0 0 0
- 4.1356 0.7339 -0.7901 O 0 0 0
- 3.3134 1.8635 0.7905 O 0 5 0
- 1.3670 2.6573 0.0000 H 0 0 0
- -1.0810 -3.6019 0.0000 H 0 0 0
- -0.9717 3.5391 0.0000 H 0 0 0
- -3.4389 3.1540 0.0000 H 0 0 0
- -3.2671 -2.7779 0.0000 H 0 0 0
- -4.7357 -0.8215 0.0000 H 0 0 0
- 3.2257 -1.5662 0.0000 H 0 0 0
- 1.5472 -4.4437 0.0000 H 0 0 0
- -5.1569 1.5942 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 16 19 2 0
- 16 20 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1806-54-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 80 79 1 V2000
- -0.0188 1.3754 0.1820 P 0 0 0
- -1.3339 1.4215 -0.7457 O 0 0 0
- -0.0091 0.0080 1.0318 O 0 0 0
- 1.2952 1.4399 -0.7460 O 0 0 0
- -0.0268 2.5309 1.1068 O 0 0 0
- -2.4489 1.6113 0.1276 C 0 0 0
- 0.0109 -1.0647 0.0879 C 0 0 0
- 2.4087 1.6367 0.1277 C 0 0 0
- -3.7378 1.6643 -0.6952 C 0 0 0
- 0.0210 -2.4004 0.8341 C 0 0 0
- 3.6965 1.7073 -0.6954 C 0 0 0
- -4.9317 1.8676 0.2398 C 0 0 0
- 0.0425 -3.5490 -0.1765 C 0 0 0
- 4.8887 1.9181 0.2401 C 0 0 0
- -6.2205 1.9206 -0.5830 C 0 0 0
- 0.0526 -4.8847 0.5696 C 0 0 0
- 6.1765 1.9886 -0.5830 C 0 0 0
- -7.4144 2.1239 0.3520 C 0 0 0
- 0.0741 -6.0332 -0.4410 C 0 0 0
- 7.3687 2.1994 0.3525 C 0 0 0
- -8.7033 2.1769 -0.4708 C 0 0 0
- 0.0842 -7.3689 0.3051 C 0 0 0
- 8.6566 2.2700 -0.4705 C 0 0 0
- -9.8972 2.3802 0.4642 C 0 0 0
- 0.1057 -8.5174 -0.7055 C 0 0 0
- 9.8488 2.4808 0.4649 C 0 0 0
- -11.1860 2.4332 -0.3585 C 0 0 0
- 0.1158 -9.8531 0.0407 C 0 0 0
- 11.1366 2.5513 -0.3581 C 0 0 0
- -1.8637 2.3815 0.0000 H 0 0 0
- -2.8609 2.4865 0.0000 H 0 0 0
- 0.8540 -1.5389 0.0000 H 0 0 0
- 0.8413 -0.5686 0.0000 H 0 0 0
- 2.8109 2.5164 0.0000 H 0 0 0
- 1.8168 2.4018 0.0000 H 0 0 0
- -4.3230 0.8941 0.0000 H 0 0 0
- -3.3258 0.7891 0.0000 H 0 0 0
- -0.8221 -1.9262 0.0000 H 0 0 0
- -0.8094 -2.8966 0.0000 H 0 0 0
- 3.2944 0.8276 0.0000 H 0 0 0
- 4.2884 0.9423 0.0000 H 0 0 0
- -4.3465 2.6378 0.0000 H 0 0 0
- -5.3437 2.7428 0.0000 H 0 0 0
- 0.8856 -4.0232 0.0000 H 0 0 0
- 0.8729 -3.0528 0.0000 H 0 0 0
- 5.2909 2.7978 0.0000 H 0 0 0
- 4.2968 2.6831 0.0000 H 0 0 0
- -6.8057 1.1504 0.0000 H 0 0 0
- -5.8085 1.0454 0.0000 H 0 0 0
- -0.7905 -4.4105 0.0000 H 0 0 0
- -0.7778 -5.3809 0.0000 H 0 0 0
- 5.7743 1.1089 0.0000 H 0 0 0
- 6.7684 1.2236 0.0000 H 0 0 0
- -6.8292 2.8941 0.0000 H 0 0 0
- -7.8264 2.9991 0.0000 H 0 0 0
- 0.9172 -6.5074 0.0000 H 0 0 0
- 0.9045 -5.5370 0.0000 H 0 0 0
- 7.7708 3.0791 0.0000 H 0 0 0
- 6.7768 2.9644 0.0000 H 0 0 0
- -9.2885 1.4067 0.0000 H 0 0 0
- -8.2913 1.3017 0.0000 H 0 0 0
- -0.7589 -6.8947 0.0000 H 0 0 0
- -0.7462 -7.8651 0.0000 H 0 0 0
- 8.2545 1.3903 0.0000 H 0 0 0
- 9.2485 1.5050 0.0000 H 0 0 0
- -9.3120 3.1504 0.0000 H 0 0 0
- -10.3092 3.2554 0.0000 H 0 0 0
- 0.9488 -8.9916 0.0000 H 0 0 0
- 0.9361 -8.0212 0.0000 H 0 0 0
- 10.2510 3.3605 0.0000 H 0 0 0
- 9.2569 3.2458 0.0000 H 0 0 0
- -11.1463 3.3997 0.0000 H 0 0 0
- -12.1525 2.4729 0.0000 H 0 0 0
- -11.2257 1.4667 0.0000 H 0 0 0
- -0.8515 -9.8604 0.0000 H 0 0 0
- 0.1231 -10.8204 0.0000 H 0 0 0
- 1.0831 -9.8458 0.0000 H 0 0 0
- 11.1895 1.5855 0.0000 H 0 0 0
- 12.1024 2.6042 0.0000 H 0 0 0
- 11.0837 3.5171 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 11 40 1 0
- 11 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 20 58 1 0
- 20 59 1 0
- 21 60 1 0
- 21 61 1 0
- 22 62 1 0
- 22 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
- 25 69 1 0
- 26 70 1 0
- 26 71 1 0
- 27 72 1 0
- 27 73 1 0
- 27 74 1 0
- 28 75 1 0
- 28 76 1 0
- 28 77 1 0
- 29 78 1 0
- 29 79 1 0
- 29 80 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3208-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.2903 -0.0503 -0.2668 C 0 0 0
- 0.4518 -1.1601 -0.1023 C 0 0 0
- 0.4995 1.0198 -0.0804 O 0 0 0
- -1.7576 -0.0140 -0.6085 C 0 0 0
- 1.7652 -0.7334 0.2008 C 0 0 0
- 1.7471 0.6116 0.2034 C 0 0 0
- -2.5816 -0.0125 0.6806 C 0 0 0
- 0.1239 -2.1062 0.0000 H 0 0 0
- -1.2422 0.8445 0.0000 H 0 0 0
- -2.2500 0.8578 0.0000 H 0 0 0
- 2.5792 -1.3165 0.0000 H 0 0 0
- 2.5538 1.2048 0.0000 H 0 0 0
- -2.5798 0.9888 0.0000 H 0 0 0
- -3.5829 -0.0107 0.0000 H 0 0 0
- -2.5834 -1.0138 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 6 2 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-106589-50-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -1.1790 0.1783 0.0185 C 0 0 0
- -2.4767 -0.5113 0.0211 C 0 0 0
- -1.1459 1.5962 -0.0443 C 0 0 0
- 0.0042 -0.5480 0.0825 C 0 0 0
- -3.6632 0.2503 -0.0370 C 0 0 0
- -2.5531 -1.9040 0.0796 C 0 0 0
- 0.0063 2.2571 -0.0531 N 0 0 0
- -2.4026 2.3424 -0.1007 C 0 0 0
- 1.2135 0.1615 0.0734 C 0 0 0
- -3.5898 1.7068 -0.0977 C 0 0 0
- -4.9019 -0.4043 -0.0362 C 0 0 0
- -3.7843 -2.5192 0.0792 C 0 0 0
- 1.1745 1.6255 -0.0030 C 0 0 0
- 2.4548 -0.4868 0.1355 C 0 0 0
- -4.9507 -1.7670 0.0207 C 0 0 0
- 2.3918 2.3373 -0.0167 C 0 0 0
- 3.6177 0.2651 0.1173 C 0 0 0
- 2.5393 -1.9871 0.2237 C 0 0 0
- 3.5694 1.6679 0.0352 C 0 0 0
- 4.9207 -0.4324 0.1792 C 0 0 0
- 3.7639 -2.4841 -0.5425 C 0 0 0
- 4.9903 -1.7200 -0.1260 C 0 0 0
- -0.0063 -1.5985 0.0000 H 0 0 0
- -1.6750 -2.4807 0.0000 H 0 0 0
- -2.3793 3.3927 0.0000 H 0 0 0
- -4.4772 2.2691 0.0000 H 0 0 0
- -5.7918 0.1539 0.0000 H 0 0 0
- -3.8417 -3.5682 0.0000 H 0 0 0
- -5.8820 -2.2532 0.0000 H 0 0 0
- 2.3854 3.3878 0.0000 H 0 0 0
- 1.4931 -1.8916 0.0000 H 0 0 0
- 2.2914 -3.0080 0.0000 H 0 0 0
- 4.4682 2.2118 0.0000 H 0 0 0
- 5.8070 0.1315 0.0000 H 0 0 0
- 3.1752 -3.3542 0.0000 H 0 0 0
- 4.4926 -3.2408 0.0000 H 0 0 0
- 5.9222 -2.2049 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78281-06-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- -0.9145 0.0310 -0.0095 C 0 0 0
- -2.3970 -0.0212 0.0016 C 0 0 0
- -0.2605 1.2310 -0.2833 C 0 0 0
- -0.1734 -1.1188 0.2595 C 0 0 0
- -3.0623 -1.1208 -0.5379 C 0 0 0
- -3.1295 1.0262 0.5566 C 0 0 0
- 1.1176 1.2773 -0.2926 C 0 0 0
- 1.2041 -1.0678 0.2491 C 0 0 0
- -4.4415 -1.1643 -0.5244 C 0 0 0
- -4.5088 0.9720 0.5647 C 0 0 0
- 1.8542 0.1288 -0.0294 C 0 0 0
- -5.1638 -0.1191 0.0232 C 0 0 0
- 3.2516 0.1781 -0.0394 N 0 0 0
- 3.9670 -0.9352 0.2158 C 0 0 0
- 3.9150 1.3978 -0.3177 O 0 0 0
- 5.1791 -0.8924 0.2071 O 0 0 0
- -0.7986 2.1034 0.0000 H 0 0 0
- -0.6473 -2.0277 0.0000 H 0 0 0
- -2.5449 -2.0056 0.0000 H 0 0 0
- -2.6739 1.9444 0.0000 H 0 0 0
- 1.5941 2.1848 0.0000 H 0 0 0
- 1.7443 -1.9389 0.0000 H 0 0 0
- -4.9032 -2.0794 0.0000 H 0 0 0
- -5.0311 1.8539 0.0000 H 0 0 0
- -6.1883 -0.1519 0.0000 H 0 0 0
- 3.4917 -1.8433 0.0000 H 0 0 0
- 4.4047 2.2982 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 13 15 1 0
- 14 16 2 0
- 8 11 1 0
- 10 12 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 14 26 1 0
- 15 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113698-22-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.7185 0.4716 0.0035 C 0 0 0
- -1.4780 -0.7197 0.0026 C 0 0 0
- 0.6768 0.3537 0.0021 C 0 0 0
- -1.5805 1.5368 0.0001 N 0 0 0
- -2.8905 -0.3079 0.0043 C 0 0 0
- -0.8234 -1.9470 0.0000 C 0 0 0
- 1.2532 -0.9252 0.0001 C 0 0 0
- 1.5421 1.5496 0.0023 C 0 0 0
- -2.8936 1.0964 -0.0030 C 0 0 0
- -4.0958 -1.0082 0.0043 C 0 0 0
- 0.4916 -2.0125 -0.0023 N 0 0 0
- -1.6307 -3.2196 -0.0009 C 0 0 0
- 2.7306 -1.0467 -0.0013 C 0 0 0
- 3.0015 1.3987 0.0004 C 0 0 0
- 1.0455 2.6597 0.0037 O 0 0 0
- -4.1082 1.7739 -0.0070 C 0 0 0
- -5.2884 -0.3181 0.0061 C 0 0 0
- 3.5679 0.1747 -0.0006 C 0 0 0
- 3.2520 -2.1432 -0.0026 O 0 0 0
- -5.2928 1.0685 -0.0095 C 0 0 0
- 4.9167 0.0615 -0.0015 O 0 0 0
- 5.4428 1.3902 -0.0005 C 0 0 0
- -1.2888 2.5384 0.0000 H 0 0 0
- -4.0949 -2.0514 0.0000 H 0 0 0
- -2.5116 -2.6608 0.0000 H 0 0 0
- -2.1895 -4.1005 0.0000 H 0 0 0
- -0.7498 -3.7784 0.0000 H 0 0 0
- 3.6078 2.2476 0.0000 H 0 0 0
- -4.1229 2.8170 0.0000 H 0 0 0
- -6.1913 -0.8407 0.0000 H 0 0 0
- -6.2006 1.5826 0.0000 H 0 0 0
- 6.4128 1.0061 0.0000 H 0 0 0
- 5.8269 2.3602 0.0000 H 0 0 0
- 4.4728 1.7743 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 13 18 1 0
- 13 19 2 0
- 16 20 2 0
- 18 21 1 0
- 21 22 1 0
- 5 9 2 0
- 7 11 1 0
- 14 18 2 0
- 17 20 1 0
- 4 23 1 0
- 10 24 1 0
- 12 25 1 0
- 12 26 1 0
- 12 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 20 31 1 0
- 22 32 1 0
- 22 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-86-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- 4.4606 0.7654 0.0216 C 0 0 0
- 3.5987 -0.3845 0.2960 C 0 0 0
- 5.8652 0.5883 0.0424 C 0 0 0
- 3.9262 2.0263 -0.2646 C 0 0 0
- 2.2472 -0.2570 0.2853 N 0 0 0
- 4.1984 -1.6181 0.5691 C 0 0 0
- 6.4007 -0.6815 0.3241 C 0 0 0
- 6.6989 1.6884 -0.2203 C 0 0 0
- 4.7642 3.0728 -0.5154 C 0 0 0
- 1.5254 -1.0965 -0.3767 N 0 0 0
- 5.5868 -1.7404 0.5776 C 0 0 0
- 3.4244 -2.7016 0.8275 O 0 0 0
- 6.1459 2.9037 -0.4899 C 0 0 0
- 0.1674 -0.9684 -0.3875 C 0 0 0
- -0.6159 -1.8794 -1.1059 C 0 0 0
- -0.4434 0.0708 0.3248 C 0 0 0
- -1.9751 -1.7514 -1.1162 C 0 0 0
- -1.8023 0.1987 0.3145 C 0 0 0
- -2.5854 -0.7094 -0.4084 C 0 0 0
- -3.9436 -0.5813 -0.4191 N 0 0 0
- -4.5061 0.3791 0.2331 N 0 0 0
- -5.8662 0.5073 0.2224 C 0 0 0
- -6.4792 1.5466 0.9279 C 0 0 0
- -6.6515 -0.3970 -0.4991 C 0 0 0
- -7.8528 1.6696 0.9124 C 0 0 0
- -8.0235 -0.2611 -0.5051 C 0 0 0
- -8.6238 0.7673 0.2007 C 0 0 0
- 2.9152 2.1658 0.0000 H 0 0 0
- 7.4129 -0.8119 0.0000 H 0 0 0
- 7.7132 1.5756 0.0000 H 0 0 0
- 4.3791 4.0179 0.0000 H 0 0 0
- 5.9972 -2.6748 0.0000 H 0 0 0
- 2.8312 -3.5320 0.0000 H 0 0 0
- 6.7494 3.7267 0.0000 H 0 0 0
- -0.2342 -2.8259 0.0000 H 0 0 0
- 0.1044 0.9319 0.0000 H 0 0 0
- -2.5236 -2.6120 0.0000 H 0 0 0
- -2.1834 1.1455 0.0000 H 0 0 0
- -5.9340 2.4093 0.0000 H 0 0 0
- -6.2744 -1.3453 0.0000 H 0 0 0
- -8.2382 2.6146 0.0000 H 0 0 0
- -8.5747 -1.1200 0.0000 H 0 0 0
- -9.6403 0.8584 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 14 15 2 0
- 14 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 20 21 2 0
- 21 22 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 24 26 2 0
- 25 27 2 0
- 7 11 1 0
- 9 13 1 0
- 18 19 1 0
- 26 27 1 0
- 4 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 15 35 1 0
- 16 36 1 0
- 17 37 1 0
- 18 38 1 0
- 23 39 1 0
- 24 40 1 0
- 25 41 1 0
- 26 42 1 0
- 27 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-84498-34-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 34 1 V2000
- 0.4761 0.7604 0.0021 C 0 0 0
- -0.3777 -0.3577 0.0011 C 0 0 0
- 1.9232 0.5361 0.0015 C 0 0 0
- -0.0598 2.0603 -0.0022 C 0 0 0
- -1.8236 -0.1332 0.0012 C 0 0 0
- 0.1602 -1.6614 -0.0004 C 0 0 0
- 2.4090 -0.7925 0.0002 C 0 0 0
- 2.8260 1.6031 0.0018 C 0 0 0
- -1.3956 2.2736 -0.0076 C 0 0 0
- -2.3068 1.1961 0.0025 C 0 0 0
- -2.7283 -1.1990 -0.0003 C 0 0 0
- 1.5018 -1.8721 -0.0018 C 0 0 0
- -0.6807 -2.7281 -0.0011 O 0 0 0
- 3.7954 -1.0137 -0.0006 C 0 0 0
- 4.1677 1.3535 0.0007 C 0 0 0
- -3.6924 1.4199 0.0024 C 0 0 0
- -4.0694 -0.9468 -0.0007 C 0 0 0
- 4.6494 0.0485 0.0001 C 0 0 0
- -4.5484 0.3593 0.0013 C 0 0 0
- 0.5918 2.8844 0.0000 H 0 0 0
- 2.4733 2.5927 0.0000 H 0 0 0
- -1.7610 3.2586 0.0000 H 0 0 0
- -2.3774 -2.1893 0.0000 H 0 0 0
- 1.8700 -2.8560 0.0000 H 0 0 0
- -1.3311 -3.5531 0.0000 H 0 0 0
- 4.1731 -1.9941 0.0000 H 0 0 0
- 4.8450 2.1567 0.0000 H 0 0 0
- -4.0682 2.4010 0.0000 H 0 0 0
- -4.7483 -1.7486 0.0000 H 0 0 0
- 5.6863 -0.1207 0.0000 H 0 0 0
- -5.5849 0.5306 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 10 16 1 0
- 11 17 2 0
- 14 18 2 0
- 16 19 2 0
- 7 12 1 0
- 9 10 1 0
- 15 18 1 0
- 17 19 1 0
- 4 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -1.9412 0.0658 -0.0749 S 0 0 0
- -2.4518 -1.0729 -0.7546 O 0 0 0
- -2.1608 1.4174 -0.4546 O 0 0 0
- -2.4430 -0.0481 1.3574 O 0 0 0
- -0.1920 -0.1430 -0.0384 C 0 0 0
- 0.6351 0.9650 -0.0361 C 0 0 0
- 0.3506 -1.4149 -0.0064 C 0 0 0
- 2.0067 0.8049 -0.0075 C 0 0 0
- 1.7209 -1.5821 0.0223 C 0 0 0
- 2.9073 2.0132 -0.0056 C 0 0 0
- 2.5549 -0.4710 0.0190 C 0 0 0
- 3.9415 -0.6365 0.0475 N 0 0 0
- -3.4543 -0.2777 0.0000 H 0 0 0
- 0.2249 1.9175 0.0000 H 0 0 0
- -0.2725 -2.2439 0.0000 H 0 0 0
- 2.1274 -2.5362 0.0000 H 0 0 0
- 3.7388 1.3935 0.0000 H 0 0 0
- 3.5270 2.8447 0.0000 H 0 0 0
- 2.0758 2.6329 0.0000 H 0 0 0
- 4.3499 -1.5897 0.0000 H 0 0 0
- 4.5628 0.1938 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 1 0
- 11 8 2 0
- 12 11 1 0
- 9 11 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-134-62-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 0.4481 0.2131 0.2783 C 0 0 0
- -0.9167 -0.1423 0.7220 C 0 0 0
- 1.5073 -0.6696 0.4941 C 0 0 0
- 0.6818 1.4305 -0.3636 C 0 0 0
- -1.9159 -0.2325 -0.1780 N 0 0 0
- -1.1376 -0.3531 1.8985 O 0 0 0
- 2.7786 -0.3318 0.0775 C 0 0 0
- 1.9575 1.7560 -0.7750 C 0 0 0
- -1.7203 -0.9911 -1.4160 C 0 0 0
- -3.1975 0.4280 0.0817 C 0 0 0
- 3.0044 0.8788 -0.5528 C 0 0 0
- 3.9237 -1.2835 0.3101 C 0 0 0
- -1.6825 -2.4869 -1.0969 C 0 0 0
- -3.0339 1.9405 -0.0809 C 0 0 0
- 1.2902 -1.6518 0.0000 H 0 0 0
- -0.0505 2.1201 0.0000 H 0 0 0
- 2.1807 2.7368 0.0000 H 0 0 0
- -0.8029 -1.4037 0.0000 H 0 0 0
- -0.9511 -0.3429 0.0000 H 0 0 0
- -4.1768 0.6578 0.0000 H 0 0 0
- -3.5454 -0.5158 0.0000 H 0 0 0
- 3.9512 1.2185 0.0000 H 0 0 0
- 3.2808 -2.0571 0.0000 H 0 0 0
- 4.6973 -1.9264 0.0000 H 0 0 0
- 4.5666 -0.5099 0.0000 H 0 0 0
- -2.6881 -2.5123 0.0000 H 0 0 0
- -1.6571 -3.4925 0.0000 H 0 0 0
- -0.6769 -2.4615 0.0000 H 0 0 0
- -2.0338 1.8323 0.0000 H 0 0 0
- -2.9257 2.9406 0.0000 H 0 0 0
- -4.0340 2.0487 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 8 11 1 0
- 3 15 1 0
- 4 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108043-88-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.7413 -0.3966 -0.0012 C 0 0 0
- -0.6734 -0.3670 -0.0003 C 0 0 0
- 1.4498 0.8118 -0.0009 C 0 0 0
- 1.6476 -1.3939 0.0029 N 0 0 0
- -1.3407 0.8698 0.0010 C 0 0 0
- -1.4254 -1.5644 -0.0016 C 0 0 0
- 0.7689 2.0239 0.0008 C 0 0 0
- 2.7939 0.4694 -0.0020 N 0 0 0
- 2.8598 -0.8927 -0.0005 C 0 0 0
- -0.6077 2.0546 0.0028 C 0 0 0
- -2.7211 0.9002 0.0010 N 0 0 0
- -2.7818 -1.4962 -0.0016 C 0 0 0
- 3.9286 1.3961 -0.0029 C 0 0 0
- 4.0237 -1.6309 0.0026 N 0 0 0
- -3.4288 -0.2447 -0.0003 C 0 0 0
- -4.6473 -0.1982 -0.0003 O 0 0 0
- -0.9462 -2.4851 0.0000 H 0 0 0
- 1.3031 2.9138 0.0000 H 0 0 0
- -1.1028 2.9668 0.0000 H 0 0 0
- -3.2165 1.8123 0.0000 H 0 0 0
- -3.3436 -2.3689 0.0000 H 0 0 0
- 4.5851 0.5922 0.0000 H 0 0 0
- 4.7325 2.0526 0.0000 H 0 0 0
- 3.2721 2.2000 0.0000 H 0 0 0
- 3.9805 -2.6679 0.0000 H 0 0 0
- 4.9434 -1.1498 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 15 16 2 0
- 7 10 2 0
- 8 9 1 0
- 12 15 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 11 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-534-07-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0000 0.2511 -0.0002 C 0 0 0
- -1.3051 1.0046 0.0012 C 0 0 0
- 1.3051 1.0046 0.0012 C 0 0 0
- 0.0000 -0.9565 0.0026 O 0 0 0
- -2.6755 -0.1670 -0.0009 Cl 0 0 0
- 2.6755 -0.1670 -0.0010 Cl 0 0 0
- -0.6330 1.9133 0.0000 H 0 0 0
- -2.1320 1.7752 0.0000 H 0 0 0
- 2.1320 1.7752 0.0000 H 0 0 0
- 0.6330 1.9133 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-10159-53-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 21 1 V2000
- -0.0363 -0.0045 0.3440 N 0 0 0
- 0.0807 -1.6507 0.0141 P 0 0 0
- 1.1030 0.6413 -0.3214 C 0 0 0
- -1.2483 0.4765 -0.3323 C 0 0 0
- -1.1087 -2.4800 0.8687 N 0 0 0
- -0.1217 -1.8975 -1.5639 O 0 0 0
- 1.4154 -2.1422 0.4231 O 0 0 0
- 2.2112 0.9000 0.7013 C 0 0 0
- -2.2585 0.9565 0.7117 C 0 0 0
- 3.6096 1.6927 -0.1155 Cl 0 0 0
- -3.7462 1.5469 -0.1185 Cl 0 0 0
- 1.3053 1.6456 0.0000 H 0 0 0
- 0.2734 1.2423 0.0000 H 0 0 0
- -2.0788 -0.1234 0.0000 H 0 0 0
- -1.1217 -0.5401 0.0000 H 0 0 0
- -2.0363 -2.0452 0.0000 H 0 0 0
- -1.0214 -3.5007 0.0000 H 0 0 0
- -0.7713 -2.6897 0.0000 H 0 0 0
- 2.0089 -0.1043 0.0000 H 0 0 0
- 3.0408 0.2990 0.0000 H 0 0 0
- -1.4280 1.5564 0.0000 H 0 0 0
- -2.3851 1.9731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 4 9 1 0
- 8 10 1 0
- 9 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53716-49-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.1760 -0.0799 -0.2148 C 0 0 0
- -1.6322 0.0973 -0.0664 C 0 0 0
- 0.3989 1.1880 -0.0424 C 0 0 0
- 0.6346 -1.1845 -0.4659 C 0 0 0
- -1.8435 1.4607 0.1861 C 0 0 0
- -2.7154 -0.7763 -0.1297 C 0 0 0
- -0.6151 2.0980 0.1967 N 0 0 0
- 1.7809 1.3274 -0.1300 C 0 0 0
- 2.0009 -1.0262 -0.5507 C 0 0 0
- -3.1417 1.9270 0.3711 C 0 0 0
- -3.9947 -0.2960 0.0567 C 0 0 0
- 2.5706 0.2269 -0.3839 C 0 0 0
- -4.2049 1.0527 0.3057 C 0 0 0
- -5.3466 -1.3822 -0.0221 Cl 0 0 0
- 4.0662 0.3863 -0.4778 C 0 0 0
- 4.7291 -0.4652 0.5742 C 0 0 0
- 4.5400 -0.0551 -1.8641 C 0 0 0
- 6.0672 -0.4818 0.6789 O 0 0 0
- 4.0561 -1.1328 1.3233 O 0 0 0
- 0.2220 -2.1308 0.0000 H 0 0 0
- -2.5512 -1.7955 0.0000 H 0 0 0
- -0.4849 3.1221 0.0000 H 0 0 0
- 2.2056 2.2684 0.0000 H 0 0 0
- 2.6089 -1.8606 0.0000 H 0 0 0
- -3.3181 2.9442 0.0000 H 0 0 0
- -5.1696 1.4202 0.0000 H 0 0 0
- 4.3928 1.3657 0.0000 H 0 0 0
- 3.8363 -0.8105 0.0000 H 0 0 0
- 5.2954 -0.7588 0.0000 H 0 0 0
- 5.2437 0.7003 0.0000 H 0 0 0
- 7.0995 -0.4946 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-602-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 63 1 V2000
- 0.7054 0.2271 -1.8992 O 0 0 0
- 1.5824 0.0810 -1.0698 C 0 0 0
- 1.6767 0.9923 0.0867 C 0 0 0
- 2.5647 -1.0162 -1.2038 C 0 0 0
- 0.6141 1.8481 0.4085 C 0 0 0
- 2.8438 1.0019 0.8749 C 0 0 0
- 3.7318 -1.0046 -0.4159 C 0 0 0
- 2.3462 -2.0573 -2.0988 C 0 0 0
- 0.7256 2.7080 1.5189 C 0 0 0
- -0.6126 1.8480 -0.4096 C 0 0 0
- 3.9605 0.1026 0.5360 C 0 0 0
- 2.9347 1.8644 1.9738 C 0 0 0
- 4.6608 -2.0403 -0.5417 C 0 0 0
- 3.2761 -3.0781 -2.2129 C 0 0 0
- -0.2990 3.5376 1.8360 O 0 0 0
- 1.8750 2.7097 2.2859 C 0 0 0
- -1.6743 0.9906 -0.0889 C 0 0 0
- -0.7275 2.7136 -1.5151 C 0 0 0
- 5.0566 0.2672 1.0375 O 0 0 0
- 4.0561 1.8756 2.7346 O 0 0 0
- 5.7889 -2.0393 0.2108 O 0 0 0
- 4.4223 -3.0730 -1.4440 C 0 0 0
- 3.0337 -4.2041 -3.1847 C 0 0 0
- -2.8417 1.0004 -0.8767 C 0 0 0
- -1.5786 0.0776 1.0661 C 0 0 0
- 0.2942 3.5484 -1.8281 O 0 0 0
- -1.8773 2.7157 -2.2816 C 0 0 0
- -3.9572 0.0990 -0.5393 C 0 0 0
- -2.9338 1.8650 -1.9738 C 0 0 0
- -0.7017 0.2235 1.8955 O 0 0 0
- -2.5635 -1.0171 1.2022 C 0 0 0
- -5.0536 0.2632 -1.0404 O 0 0 0
- -3.7303 -1.0047 0.4133 C 0 0 0
- -4.0559 1.8771 -2.7337 O 0 0 0
- -2.3479 -2.0562 2.0996 C 0 0 0
- -4.6611 -2.0381 0.5405 C 0 0 0
- -3.2803 -3.0751 2.2154 C 0 0 0
- -5.7881 -2.0372 -0.2138 O 0 0 0
- -4.4254 -3.0696 1.4456 C 0 0 0
- -3.0411 -4.1992 3.1902 C 0 0 0
- 1.5146 -2.2839 0.0000 H 0 0 0
- -0.9689 4.0800 0.0000 H 0 0 0
- 2.1591 3.5235 0.0000 H 0 0 0
- 4.9180 1.8842 0.0000 H 0 0 0
- 6.6509 -2.0385 0.0000 H 0 0 0
- 4.9604 -3.7464 0.0000 H 0 0 0
- 2.1911 -4.0227 0.0000 H 0 0 0
- 2.8523 -5.0467 0.0000 H 0 0 0
- 3.8763 -4.3855 0.0000 H 0 0 0
- 0.9617 4.0938 0.0000 H 0 0 0
- -2.1632 3.5289 0.0000 H 0 0 0
- -4.9178 1.8864 0.0000 H 0 0 0
- -1.5168 -2.2847 0.0000 H 0 0 0
- -6.6501 -2.0365 0.0000 H 0 0 0
- -4.9644 -3.7423 0.0000 H 0 0 0
- -3.8842 -4.3786 0.0000 H 0 0 0
- -2.8617 -5.0423 0.0000 H 0 0 0
- -2.1980 -4.0198 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 1 0
- 16 9 2 0
- 17 10 2 0
- 18 10 1 0
- 19 11 2 0
- 20 12 1 0
- 21 13 1 0
- 22 13 2 0
- 23 14 1 0
- 24 17 1 0
- 25 17 1 0
- 26 18 1 0
- 27 18 2 0
- 28 24 1 0
- 29 24 2 0
- 30 25 2 0
- 31 25 1 0
- 32 28 2 0
- 33 28 1 0
- 34 29 1 0
- 35 31 2 0
- 36 33 2 0
- 37 35 1 0
- 38 36 1 0
- 39 36 1 0
- 40 37 1 0
- 7 11 1 0
- 12 16 1 0
- 14 22 1 0
- 27 29 1 0
- 31 33 1 0
- 37 39 2 0
- 8 41 1 0
- 15 42 1 0
- 16 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 23 47 1 0
- 23 48 1 0
- 23 49 1 0
- 26 50 1 0
- 27 51 1 0
- 34 52 1 0
- 35 53 1 0
- 38 54 1 0
- 39 55 1 0
- 40 56 1 0
- 40 57 1 0
- 40 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-585-86-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 47 1 V2000
- -0.7355 -0.7367 0.9346 C 0 0 1
- -0.0915 -0.3532 -0.2821 O 0 0 0
- -1.5715 0.3271 1.3858 O 0 0 0
- -1.5780 -1.9911 0.6923 C 0 0 1
- 1.0356 0.4466 0.0815 C 0 0 1
- -2.4258 0.6933 0.3039 C 0 0 1
- -2.6160 -1.6931 -0.3956 C 0 0 2
- -0.7305 -3.0584 0.2624 O 0 0 0
- 2.2786 -0.0603 -0.6524 C 0 0 1
- 0.7733 1.9034 -0.3057 C 0 0 1
- -3.4066 -0.4441 0.0100 C 0 0 2
- -3.2057 1.9562 0.6748 C 0 0 0
- -3.5083 -2.8024 -0.5192 O 0 0 0
- 3.2618 -0.6530 0.3590 C 0 0 2
- 1.8990 -1.0665 -1.5935 O 0 0 0
- 1.8853 2.7894 0.2595 C 0 0 0
- 0.7483 2.0206 -1.7296 O 0 0 0
- -4.2735 -0.0610 -1.0595 O 0 0 0
- -2.3021 3.0572 0.7907 O 0 0 0
- 4.6387 -0.7970 -0.2924 C 0 0 0
- 2.7968 -1.9374 0.7789 O 0 0 0
- 1.5470 4.1634 0.0605 O 0 0 0
- 5.5570 -1.3506 0.6523 O 0 0 0
- -0.0310 -1.4805 0.0000 H 0 0 0
- -2.1477 -2.8426 0.0000 H 0 0 0
- 1.1531 -0.5711 0.0000 H 0 0 0
- -1.7570 1.4694 0.0000 H 0 0 0
- -2.0017 -0.8732 0.0000 H 0 0 0
- -0.0934 -3.8607 0.0000 H 0 0 0
- 2.7379 0.8555 0.0000 H 0 0 0
- -0.2319 1.7057 0.0000 H 0 0 0
- -4.0754 -1.2202 0.0000 H 0 0 0
- -3.9214 2.6892 0.0000 H 0 0 0
- -4.0129 1.3254 0.0000 H 0 0 0
- -4.1504 -3.6007 0.0000 H 0 0 0
- 3.5873 0.3184 0.0000 H 0 0 0
- 1.5374 -2.0250 0.0000 H 0 0 0
- 2.4023 1.9049 0.0000 H 0 0 0
- 2.8347 3.1743 0.0000 H 0 0 0
- 0.5346 3.0225 0.0000 H 0 0 0
- -5.2106 0.3531 0.0000 H 0 0 0
- -1.6522 3.8491 0.0000 H 0 0 0
- 5.4538 -0.1764 0.0000 H 0 0 0
- 4.3622 0.1895 0.0000 H 0 0 0
- 2.4480 -2.9007 0.0000 H 0 0 0
- 1.3021 5.1582 0.0000 H 0 0 0
- 6.4344 -1.8795 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 5 2 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 14 21 1 0
- 16 22 1 0
- 20 23 1 0
- 7 11 1 0
- 1 24 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 23 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13436-58-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2958 0.0248 0.0027 C 0 0 0
- -1.2379 -1.1053 0.0020 C 0 0 0
- 1.0886 -0.2508 0.0002 C 0 0 0
- -1.0232 1.1270 0.0004 N 0 0 0
- -2.5067 -0.5563 0.0043 C 0 0 0
- -0.7226 -2.4191 -0.0001 C 0 0 0
- 1.5153 -1.5382 -0.0026 C 0 0 0
- 2.0685 0.8585 0.0003 N 0 3 0
- -2.3784 0.7774 -0.0017 N 0 0 0
- 0.6204 -2.6107 -0.0016 C 0 0 0
- 3.2623 0.6165 -0.0018 O 0 0 0
- 1.6812 2.0133 0.0024 O 0 5 0
- -3.4922 1.7292 -0.0046 C 0 0 0
- -3.4042 -1.0861 0.0000 H 0 0 0
- -1.3693 -3.2364 0.0000 H 0 0 0
- 2.5392 -1.7326 0.0000 H 0 0 0
- 0.9942 -3.5836 0.0000 H 0 0 0
- -2.8151 2.5215 0.0000 H 0 0 0
- -4.2845 2.4063 0.0000 H 0 0 0
- -4.1693 0.9369 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 6 10 2 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 5 9 1 0
- 7 10 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
- 13 18 1 0
- 13 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-394-70-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.5576 0.9114 -0.0026 C 0 0 0
- -0.0280 -0.4023 -0.0016 C 0 0 0
- 0.2691 1.9622 -0.0014 N 0 0 0
- -1.9526 1.0858 0.0011 C 0 0 0
- 1.3714 -0.5745 0.0002 C 0 0 0
- -0.9000 -1.5022 -0.0019 C 0 0 0
- 1.5717 1.8066 0.0007 C 0 0 0
- -2.7692 -0.0029 0.0055 C 0 0 0
- 2.1591 0.5457 0.0008 C 0 0 0
- 1.9196 -1.8093 0.0016 F 0 0 0
- -2.2457 -1.2941 -0.0031 C 0 0 0
- -2.3571 2.0387 0.0000 H 0 0 0
- -0.5223 -2.4660 0.0000 H 0 0 0
- 2.1789 2.6449 0.0000 H 0 0 0
- -3.7957 0.1305 0.0000 H 0 0 0
- 3.1902 0.4543 0.0000 H 0 0 0
- -2.8881 -2.1058 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-87-82-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -3.2746 0.0447 -0.0035 Br 0 0 0
- -1.3837 0.0189 -0.0042 C 0 0 0
- -0.6757 1.2077 -0.0016 C 0 0 0
- -0.7081 -1.1890 -0.0014 C 0 0 0
- -1.5988 2.8581 0.0024 Br 0 0 0
- 0.7083 1.1889 -0.0016 C 0 0 0
- -1.6758 -2.8136 0.0018 Br 0 0 0
- 0.6755 -1.2078 -0.0014 C 0 0 0
- 1.6760 2.8135 0.0025 Br 0 0 0
- 1.3837 -0.0187 -0.0041 C 0 0 0
- 1.5986 -2.8582 0.0031 Br 0 0 0
- 3.2746 -0.0444 -0.0041 Br 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 6 1 0
- 10 6 2 0
- 11 8 1 0
- 12 10 1 0
- 8 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5737-13-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 27 1 V2000
- 0.0000 -3.1892 0.0018 O 0 0 0
- 0.0000 -1.9741 0.0030 C 0 0 0
- 1.2003 -1.0999 0.0006 C 0 0 0
- -1.2003 -1.0999 0.0007 C 0 0 0
- 0.7143 0.2069 0.0018 C 0 0 0
- 2.5806 -1.1963 -0.0022 C 0 0 0
- -0.7143 0.2069 0.0019 C 0 0 0
- -2.5806 -1.1963 -0.0021 C 0 0 0
- 1.4347 1.3962 0.0006 C 0 0 0
- 3.3483 -0.0282 -0.0040 C 0 0 0
- -1.4347 1.3962 0.0005 C 0 0 0
- -3.3483 -0.0282 -0.0039 C 0 0 0
- 0.6841 2.5910 0.0027 C 0 0 0
- 2.8313 1.2417 -0.0021 C 0 0 0
- -0.6841 2.5910 0.0024 C 0 0 0
- -2.8313 1.2417 -0.0023 C 0 0 0
- 3.0447 -2.1334 0.0000 H 0 0 0
- -3.0447 -2.1334 0.0000 H 0 0 0
- 4.3890 -0.1299 0.0000 H 0 0 0
- -4.3890 -0.1299 0.0000 H 0 0 0
- 1.1900 3.5062 0.0000 H 0 0 0
- 3.4618 2.0759 0.0000 H 0 0 0
- -1.1900 3.5062 0.0000 H 0 0 0
- -3.4618 2.0759 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 1 0
- 12 8 2 0
- 13 9 1 0
- 14 9 2 0
- 15 11 1 0
- 16 11 2 0
- 5 7 1 0
- 10 14 1 0
- 13 15 2 0
- 12 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-125974-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0773 1.1044 0.0040 C 0 0 0
- 0.4587 -0.1711 0.0018 C 0 0 0
- 1.3360 1.9401 0.0019 C 0 0 0
- -1.3398 1.6169 0.0022 C 0 0 0
- 1.9233 -0.2438 -0.0016 C 0 0 0
- -0.6124 -1.5373 0.0029 Cl 0 0 0
- 2.4445 0.9973 -0.0016 O 0 0 0
- -2.4831 0.2228 -0.0034 Cl 0 0 0
- 2.5708 -1.2723 -0.0035 O 0 0 0
- 2.1235 2.7078 0.0000 H 0 0 0
- 0.6450 2.7957 0.0000 H 0 0 0
- -0.8512 2.6022 0.0000 H 0 0 0
- -2.2636 2.2137 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 7 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.7328 -0.3823 -0.0015 C 0 0 0
- -0.7328 -0.3823 -0.0010 C 0 0 0
- 1.4115 0.8574 -0.0006 C 0 0 0
- 1.4641 -1.5716 0.0030 C 0 0 0
- -1.4115 0.8574 0.0003 C 0 0 0
- -1.4642 -1.5716 -0.0014 C 0 0 0
- 0.6742 2.0640 0.0012 C 0 0 0
- 2.8136 0.8689 -0.0010 C 0 0 0
- 2.8292 -1.5267 0.0023 C 0 0 0
- -0.6742 2.0640 0.0007 C 0 0 0
- -2.8136 0.8689 0.0008 C 0 0 0
- -2.8292 -1.5267 -0.0005 C 0 0 0
- 3.5003 -0.3096 -0.0023 C 0 0 0
- -3.5003 -0.3096 -0.0001 C 0 0 0
- 0.9682 -2.4939 0.0000 H 0 0 0
- -0.9684 -2.4939 0.0000 H 0 0 0
- 1.1864 2.9773 0.0000 H 0 0 0
- 3.3316 1.7789 0.0000 H 0 0 0
- 3.3764 -2.4195 0.0000 H 0 0 0
- -1.1864 2.9773 0.0000 H 0 0 0
- -3.3316 1.7789 0.0000 H 0 0 0
- -3.3764 -2.4195 0.0000 H 0 0 0
- 4.5474 -0.2972 0.0000 H 0 0 0
- -4.5474 -0.2972 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-04-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -0.0462 -0.5915 0.0000 C 0 0 0
- -1.2972 0.2893 0.0000 C 0 0 0
- 1.1516 0.2591 0.0000 N 0 0 0
- -0.7935 -1.4320 0.0000 H 0 0 0
- 0.7044 -1.4290 0.0000 H 0 0 0
- -0.6497 1.2089 0.0000 H 0 0 0
- -2.2168 0.9368 0.0000 H 0 0 0
- -1.9447 -0.6303 0.0000 H 0 0 0
- 2.1740 -0.2094 0.0000 H 0 0 0
- 1.0462 1.3788 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-35203-91-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 1.9567 -0.2426 -0.0603 S 0 0 0
- 2.0256 -1.1741 1.3071 N 0 0 0
- 2.9619 0.7494 0.0973 O 0 0 0
- 1.8651 -1.1556 -1.1452 O 0 0 0
- 0.4219 0.6224 -0.0315 C 0 0 0
- -0.7893 -0.0904 -0.0091 C 0 0 0
- 0.4048 1.9834 -0.0254 C 0 0 0
- -2.0109 0.6275 0.0137 C 0 0 0
- -0.8033 -1.4272 -0.0085 N 0 0 0
- -0.7974 2.6871 -0.0029 C 0 0 0
- -1.9907 2.0313 0.0130 C 0 0 0
- -3.2229 -0.0883 0.0362 C 0 0 0
- -1.9299 -2.0968 0.0129 C 0 0 0
- -3.1654 -1.4528 0.0350 C 0 0 0
- 1.1618 -1.7618 0.0000 H 0 0 0
- 2.9665 -1.6283 0.0000 H 0 0 0
- 1.3079 2.5088 0.0000 H 0 0 0
- -0.7833 3.7318 0.0000 H 0 0 0
- -2.8861 2.5696 0.0000 H 0 0 0
- -4.1410 0.4104 0.0000 H 0 0 0
- -1.9008 -3.1412 0.0000 H 0 0 0
- -4.0471 -2.0132 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 2 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 12 2 0
- 10 11 1 0
- 13 14 1 0
- 2 15 1 0
- 2 16 1 0
- 7 17 1 0
- 10 18 1 0
- 11 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50892-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -0.9573 -1.2972 -0.1102 C 0 0 0
- -2.3355 -1.1580 -0.1712 N 0 0 0
- -0.1710 -0.2254 -0.1042 N 0 0 0
- -0.3759 -2.5648 -0.0483 C 0 0 0
- -2.9141 0.1118 -0.0876 C 0 0 0
- 1.1466 -0.3546 -0.0455 C 0 0 0
- 1.0030 -2.6559 0.0118 C 0 0 0
- -4.2938 0.2432 0.0080 C 0 0 0
- -2.1105 1.2446 -0.0943 C 0 0 0
- 1.7269 -1.5449 0.0090 N 0 0 0
- 2.1522 1.0923 -0.0404 S 0 0 0
- 1.7774 -4.2077 0.0906 Cl 0 0 0
- -4.8621 1.4990 0.0904 C 0 0 0
- -5.1693 -0.9833 0.0213 C 0 0 0
- -2.6854 2.4978 -0.0116 C 0 0 0
- 3.9542 0.9417 0.0392 C 0 0 0
- -4.0593 2.6252 0.0777 C 0 0 0
- -6.3587 1.6426 0.1936 C 0 0 0
- 4.5739 2.3154 0.0299 C 0 0 0
- 5.9084 2.4500 0.0826 O 0 0 0
- 3.8695 3.2956 -0.0248 O 0 0 0
- -2.9403 -2.0017 0.0000 H 0 0 0
- -0.9649 -3.4196 0.0000 H 0 0 0
- -1.0769 1.1477 0.0000 H 0 0 0
- -6.0142 -0.3802 0.0000 H 0 0 0
- -5.7724 -1.8282 0.0000 H 0 0 0
- -4.3244 -1.5864 0.0000 H 0 0 0
- -2.0851 3.3447 0.0000 H 0 0 0
- 3.7512 -0.0763 0.0000 H 0 0 0
- 4.9427 0.6247 0.0000 H 0 0 0
- -4.4916 3.5690 0.0000 H 0 0 0
- -6.2595 2.6760 0.0000 H 0 0 0
- -7.3921 1.7418 0.0000 H 0 0 0
- -6.4579 0.6092 0.0000 H 0 0 0
- 6.9413 2.5542 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 16 19 1 0
- 19 20 1 0
- 19 21 2 0
- 7 10 1 0
- 15 17 2 0
- 2 22 1 0
- 4 23 1 0
- 9 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 20 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-611-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.4538 0.0175 0.0020 C 0 0 0
- 0.5076 -1.0135 0.0004 C 0 0 0
- -0.0289 1.3616 0.0019 C 0 0 0
- -1.7582 -0.2771 -0.0019 N 0 0 0
- 1.8463 -0.6945 -0.0012 C 0 0 0
- 0.0720 -2.4562 0.0011 C 0 0 0
- 1.3054 1.6524 0.0002 C 0 0 0
- -2.5846 0.6176 -0.0006 O 0 0 0
- 2.2457 0.6333 -0.0013 C 0 0 0
- -0.7298 2.1298 0.0000 H 0 0 0
- 2.5599 -1.4509 0.0000 H 0 0 0
- -0.9235 -2.1556 0.0000 H 0 0 0
- -0.2286 -3.4517 0.0000 H 0 0 0
- 1.0675 -2.7568 0.0000 H 0 0 0
- 1.6182 2.6442 0.0000 H 0 0 0
- 3.2591 0.8668 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 9 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-26741-53-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 91 94 1 V2000
- 0.0015 -1.1269 0.1234 C 0 0 0
- -0.6271 -0.2809 -0.9855 C 0 0 0
- 0.6019 -0.2101 1.1906 C 0 0 0
- -1.0753 -2.0119 0.7543 C 0 0 0
- 1.1065 -2.0056 -0.4660 C 0 0 0
- -1.7301 0.4536 -0.4579 O 0 0 0
- 1.6813 0.5338 0.6283 O 0 0 0
- -2.1575 -1.1984 1.2035 O 0 0 0
- 2.1625 -1.1801 -0.9539 O 0 0 0
- -2.8858 -0.6013 -0.0972 P 0 0 0
- 2.8703 -0.4995 0.3167 P 0 0 0
- -3.7883 0.4530 0.7190 O 0 0 0
- 3.7394 0.5435 -0.5488 O 0 0 0
- -5.0849 0.1005 0.5152 C 0 0 0
- 5.0350 0.1427 -0.4615 C 0 0 0
- -5.9503 0.9753 -0.1261 C 0 0 0
- -5.5441 -1.1365 0.9429 C 0 0 0
- 5.9920 0.9960 0.0679 C 0 0 0
- 5.4018 -1.1228 -0.8965 C 0 0 0
- -7.2677 0.6147 -0.3319 C 0 0 0
- -5.4532 2.3173 -0.5980 C 0 0 0
- -6.8627 -1.4925 0.7346 C 0 0 0
- 7.3085 0.5862 0.1556 C 0 0 0
- 5.5961 2.3690 0.5466 C 0 0 0
- 6.7193 -1.5277 -0.8067 C 0 0 0
- -7.7244 -0.6169 0.1005 C 0 0 0
- -6.6406 3.1734 -1.0430 C 0 0 0
- -4.7181 3.0198 0.5453 C 0 0 0
- -4.4961 2.1214 -1.7755 C 0 0 0
- 7.6724 -0.6731 -0.2838 C 0 0 0
- 6.8515 3.1629 0.9135 C 0 0 0
- 4.8385 3.0979 -0.5650 C 0 0 0
- 4.6963 2.2403 1.7773 C 0 0 0
- -9.1622 -1.0076 -0.1254 C 0 0 0
- 9.1092 -1.1175 -0.1870 C 0 0 0
- -9.4057 -2.4070 0.4433 C 0 0 0
- -10.0796 -0.0049 0.5772 C 0 0 0
- -9.4609 -1.0078 -1.6259 C 0 0 0
- 9.2414 -2.5392 -0.7367 C 0 0 0
- 9.9918 -0.1710 -1.0031 C 0 0 0
- 9.5529 -1.0934 1.2770 C 0 0 0
- 0.3529 -0.0513 0.0000 H 0 0 0
- -0.4482 0.7096 0.0000 H 0 0 0
- 0.3931 0.7745 0.0000 H 0 0 0
- -0.3874 -0.0246 0.0000 H 0 0 0
- -1.7420 -2.7659 0.0000 H 0 0 0
- -0.3765 -2.7363 0.0000 H 0 0 0
- 0.4202 -2.7418 0.0000 H 0 0 0
- 1.7867 -2.7475 0.0000 H 0 0 0
- -4.8658 -1.8801 0.0000 H 0 0 0
- 4.6844 -1.8288 0.0000 H 0 0 0
- -7.9474 1.3570 0.0000 H 0 0 0
- -7.1262 -2.4639 0.0000 H 0 0 0
- 8.0275 1.2906 0.0000 H 0 0 0
- 6.9354 -2.5107 0.0000 H 0 0 0
- -6.0520 3.9898 0.0000 H 0 0 0
- -7.4570 3.7620 0.0000 H 0 0 0
- -7.2292 2.3570 0.0000 H 0 0 0
- -4.0227 2.2921 0.0000 H 0 0 0
- -3.9904 3.7152 0.0000 H 0 0 0
- -5.4135 3.7475 0.0000 H 0 0 0
- -4.6979 1.1353 0.0000 H 0 0 0
- -3.5100 1.9196 0.0000 H 0 0 0
- -4.2943 3.1075 0.0000 H 0 0 0
- 7.3895 2.3122 0.0000 H 0 0 0
- 7.7022 3.7009 0.0000 H 0 0 0
- 6.3135 4.0136 0.0000 H 0 0 0
- 5.5363 3.8232 0.0000 H 0 0 0
- 4.1132 3.7957 0.0000 H 0 0 0
- 4.1407 2.3726 0.0000 H 0 0 0
- 4.5538 3.2367 0.0000 H 0 0 0
- 3.6999 2.0978 0.0000 H 0 0 0
- 4.8388 1.2439 0.0000 H 0 0 0
- -10.3973 -2.2345 0.0000 H 0 0 0
- -9.5782 -3.3986 0.0000 H 0 0 0
- -8.4141 -2.5795 0.0000 H 0 0 0
- -9.3370 0.6745 0.0000 H 0 0 0
- -10.7590 0.7377 0.0000 H 0 0 0
- -10.8222 -0.6843 0.0000 H 0 0 0
- -9.4616 -0.0013 0.0000 H 0 0 0
- -10.4674 -1.0085 0.0000 H 0 0 0
- -9.4602 -2.0143 0.0000 H 0 0 0
- 8.2392 -2.6324 0.0000 H 0 0 0
- 9.3346 -3.5414 0.0000 H 0 0 0
- 10.2436 -2.4460 0.0000 H 0 0 0
- 10.7279 -0.8574 0.0000 H 0 0 0
- 10.6782 0.5651 0.0000 H 0 0 0
- 9.2557 0.5154 0.0000 H 0 0 0
- 9.6075 -2.0984 0.0000 H 0 0 0
- 10.5579 -1.0388 0.0000 H 0 0 0
- 9.4983 -0.0884 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 16 21 1 0
- 17 22 1 0
- 18 23 1 0
- 18 24 1 0
- 19 25 2 0
- 20 26 1 0
- 21 27 1 0
- 21 28 1 0
- 21 29 1 0
- 23 30 2 0
- 24 31 1 0
- 24 32 1 0
- 24 33 1 0
- 26 34 1 0
- 30 35 1 0
- 34 36 1 0
- 34 37 1 0
- 34 38 1 0
- 35 39 1 0
- 35 40 1 0
- 35 41 1 0
- 8 10 1 0
- 9 11 1 0
- 22 26 2 0
- 25 30 1 0
- 2 42 1 0
- 2 43 1 0
- 3 44 1 0
- 3 45 1 0
- 4 46 1 0
- 4 47 1 0
- 5 48 1 0
- 5 49 1 0
- 17 50 1 0
- 19 51 1 0
- 20 52 1 0
- 22 53 1 0
- 23 54 1 0
- 25 55 1 0
- 27 56 1 0
- 27 57 1 0
- 27 58 1 0
- 28 59 1 0
- 28 60 1 0
- 28 61 1 0
- 29 62 1 0
- 29 63 1 0
- 29 64 1 0
- 31 65 1 0
- 31 66 1 0
- 31 67 1 0
- 32 68 1 0
- 32 69 1 0
- 32 70 1 0
- 33 71 1 0
- 33 72 1 0
- 33 73 1 0
- 36 74 1 0
- 36 75 1 0
- 36 76 1 0
- 37 77 1 0
- 37 78 1 0
- 37 79 1 0
- 38 80 1 0
- 38 81 1 0
- 38 82 1 0
- 39 83 1 0
- 39 84 1 0
- 39 85 1 0
- 40 86 1 0
- 40 87 1 0
- 40 88 1 0
- 41 89 1 0
- 41 90 1 0
- 41 91 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-78448-09-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- 0.3825 -0.7345 0.0018 C 0 0 0
- -1.0797 -0.6763 0.0014 C 0 0 0
- 1.4391 0.2709 0.0009 C 0 0 0
- 0.7301 -2.0883 -0.0033 C 0 0 0
- -2.0529 0.4098 0.0004 C 0 0 0
- -1.5342 -1.9980 0.0028 C 0 0 0
- 2.7874 -0.1603 0.0018 C 0 0 0
- 1.1498 1.6403 -0.0013 C 0 0 0
- -0.4333 -2.8309 -0.0067 N 0 0 0
- 2.0820 -2.4601 -0.0037 C 0 0 0
- -3.4320 0.0880 0.0008 C 0 0 0
- -1.6570 1.7521 -0.0004 C 0 0 0
- -2.9115 -2.2610 0.0031 C 0 0 0
- 3.0750 -1.5377 0.0030 C 0 0 0
- 3.8170 0.8010 0.0009 C 0 0 0
- 2.1651 2.5507 -0.0026 C 0 0 0
- -3.8283 -1.2633 0.0026 C 0 0 0
- -4.3782 1.1253 -0.0002 C 0 0 0
- -2.6023 2.7348 -0.0009 C 0 0 0
- 3.4940 2.1402 -0.0008 C 0 0 0
- 5.1178 0.4106 0.0022 O 0 0 0
- -3.9586 2.4214 -0.0014 C 0 0 0
- 0.1527 1.9661 0.0000 H 0 0 0
- -0.4750 -3.8790 0.0000 H 0 0 0
- 2.3314 -3.4790 0.0000 H 0 0 0
- -0.6380 2.0010 0.0000 H 0 0 0
- -3.2409 -3.2569 0.0000 H 0 0 0
- 4.0745 -1.8559 0.0000 H 0 0 0
- 1.9406 3.5753 0.0000 H 0 0 0
- -4.8499 -1.5014 0.0000 H 0 0 0
- -5.4034 0.9034 0.0000 H 0 0 0
- -2.3035 3.7403 0.0000 H 0 0 0
- 4.2587 2.8582 0.0000 H 0 0 0
- 6.1225 0.1091 0.0000 H 0 0 0
- -4.6677 3.1943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 15 20 2 0
- 15 21 1 0
- 18 22 2 0
- 6 9 1 0
- 10 14 2 0
- 13 17 2 0
- 16 20 1 0
- 19 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-431-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- 0.7430 -0.0183 -0.0148 C 0 0 0
- -0.7430 0.0173 -0.0135 C 0 0 0
- 1.5228 1.0944 -0.6667 C 0 0 0
- 1.3256 -0.9365 0.5110 O 0 0 0
- -1.5239 -1.0938 -0.6667 C 0 0 0
- -1.3246 0.9368 0.5111 O 0 0 0
- 2.3569 0.5098 0.0000 H 0 0 0
- 2.1074 1.9285 0.0000 H 0 0 0
- 0.6887 1.6790 0.0000 H 0 0 0
- -2.3572 -0.5081 0.0000 H 0 0 0
- -2.1096 -1.9271 0.0000 H 0 0 0
- -0.6906 -1.6795 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-43192-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 1.0204 -0.2466 -0.0024 C 0 0 0
- -0.0150 -1.1729 -0.0016 C 0 0 0
- 0.7325 1.1121 -0.0016 C 0 0 0
- 2.3480 -0.6808 0.0018 N 0 0 0
- -1.3263 -0.7403 -0.0001 C 0 0 0
- -0.5815 1.5380 -0.0001 C 0 0 0
- 3.4021 0.2647 0.0010 O 0 0 0
- -1.6095 0.6135 0.0002 C 0 0 0
- -2.4501 -1.7443 0.0007 C 0 0 0
- -3.0419 1.0819 0.0014 C 0 0 0
- 0.1977 -2.1928 0.0000 H 0 0 0
- 1.5067 1.8092 0.0000 H 0 0 0
- 2.5627 -1.7003 0.0000 H 0 0 0
- -0.7982 2.5570 0.0000 H 0 0 0
- 4.1776 0.9603 0.0000 H 0 0 0
- -3.1442 -0.9674 0.0000 H 0 0 0
- -3.2270 -2.4384 0.0000 H 0 0 0
- -1.7560 -2.5212 0.0000 H 0 0 0
- -2.7181 2.0721 0.0000 H 0 0 0
- -4.0321 1.4057 0.0000 H 0 0 0
- -3.3657 0.0917 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 8 10 1 0
- 6 8 2 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-95-93-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.1972 0.6911 0.0015 C 0 0 0
- -1.1972 -0.6911 0.0008 C 0 0 0
- 0.0002 1.3824 0.0014 C 0 0 0
- -2.5023 1.4446 -0.0039 C 0 0 0
- 0.0001 -1.3823 -0.0001 C 0 0 0
- -2.5023 -1.4446 0.0015 C 0 0 0
- 1.1971 0.6913 0.0005 C 0 0 0
- 1.1971 -0.6913 -0.0007 C 0 0 0
- 2.5022 1.4448 0.0009 C 0 0 0
- 2.5022 -1.4448 -0.0021 C 0 0 0
- 0.0002 2.4194 0.0000 H 0 0 0
- -1.9838 2.3426 0.0000 H 0 0 0
- -3.4003 1.9631 0.0000 H 0 0 0
- -3.0208 0.5466 0.0000 H 0 0 0
- 0.0001 -2.4193 0.0000 H 0 0 0
- -3.0208 -0.5466 0.0000 H 0 0 0
- -3.4003 -1.9631 0.0000 H 0 0 0
- -1.9838 -2.3426 0.0000 H 0 0 0
- 3.0207 0.5468 0.0000 H 0 0 0
- 3.4002 1.9633 0.0000 H 0 0 0
- 1.9837 2.3428 0.0000 H 0 0 0
- 1.9837 -2.3428 0.0000 H 0 0 0
- 3.4002 -1.9633 0.0000 H 0 0 0
- 3.0207 -0.5468 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 7 8 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-41-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -2.5291 -0.3883 0.0658 C 0 0 0
- -3.5475 0.6313 0.0402 C 0 0 0
- -1.1002 -0.0455 0.1465 C 0 0 0
- -2.9535 -1.7001 0.0171 C 0 0 0
- -4.8277 0.2175 -0.0348 C 0 0 0
- -0.1728 -1.0231 0.1685 N 0 0 0
- -0.7562 1.1204 0.1933 O 0 0 0
- -4.6774 -1.5570 -0.0608 S 0 0 0
- -6.0593 1.0378 -0.0754 N 0 3 0
- 1.1869 -0.6989 0.1121 C 0 0 0
- -7.1488 0.4975 -0.1441 O 0 0 0
- -5.9833 2.2529 -0.0402 O 0 5 0
- 2.1381 -1.7049 -0.0009 C 0 0 0
- 1.5879 0.6296 0.1630 C 0 0 0
- 3.4794 -1.3819 -0.0569 C 0 0 0
- 2.9311 0.9469 0.1066 C 0 0 0
- 3.8765 -0.0574 -0.0006 C 0 0 0
- 5.7144 0.3809 -0.0776 Br 0 0 0
- -3.3043 1.6394 0.0000 H 0 0 0
- -2.3786 -2.5633 0.0000 H 0 0 0
- -0.4682 -2.0172 0.0000 H 0 0 0
- 1.8430 -2.6991 0.0000 H 0 0 0
- 0.8774 1.3850 0.0000 H 0 0 0
- 4.1923 -2.1351 0.0000 H 0 0 0
- 3.2294 1.9401 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 17 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96918-27-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 35 1 V2000
- -1.2125 -0.2596 -0.0015 C 0 0 0
- -2.5638 0.1295 -0.0010 C 0 0 0
- -0.1994 0.7252 -0.0006 C 0 0 0
- -0.8741 -1.6332 0.0029 C 0 0 0
- -2.9010 1.5018 0.0005 C 0 0 0
- -3.5798 -0.8536 -0.0023 C 0 0 0
- 1.2106 0.2902 -0.0012 C 0 0 0
- -0.5458 2.0711 0.0012 C 0 0 0
- 0.5378 -2.0307 0.0028 C 0 0 0
- -1.8899 -2.5902 0.0078 C 0 0 0
- -1.8805 2.4614 0.0009 C 0 0 0
- -4.2658 1.8734 0.0010 C 0 0 0
- -3.2265 -2.2081 -0.0038 C 0 0 0
- -4.9346 -0.4413 -0.0017 C 0 0 0
- 1.5263 -1.0898 -0.0026 C 0 0 0
- 2.4249 0.9761 -0.0002 C 0 0 0
- -5.2500 0.9024 0.0002 C 0 0 0
- 2.8768 -1.1941 -0.0024 O 0 0 0
- 3.4251 0.0237 -0.0010 C 0 0 0
- 4.8782 0.3083 0.0001 N 0 3 0
- 5.6786 -0.6098 -0.0008 O 0 0 0
- 5.3373 1.6478 0.0021 O 0 5 0
- 0.2088 2.8015 0.0000 H 0 0 0
- 0.7907 -3.0500 0.0000 H 0 0 0
- -1.6417 -3.6107 0.0000 H 0 0 0
- -2.1251 3.4827 0.0000 H 0 0 0
- -4.5321 2.8893 0.0000 H 0 0 0
- -3.9777 -2.9420 0.0000 H 0 0 0
- -5.7009 -1.1595 0.0000 H 0 0 0
- 2.5541 2.0184 0.0000 H 0 0 0
- -6.2591 1.1934 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 15 18 1 0
- 16 19 2 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 8 11 2 0
- 9 15 2 0
- 10 13 1 0
- 14 17 2 0
- 18 19 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-109-43-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 55 1 V2000
- -4.3523 -0.6078 -0.0066 C 0 0 0
- -5.6150 0.2148 0.0024 C 0 0 0
- -3.1376 0.3225 0.0035 C 0 0 0
- -6.8119 -0.3928 -0.0043 O 0 0 0
- -5.5500 1.4212 0.0155 O 0 0 0
- -1.8557 -0.5127 -0.0056 C 0 0 0
- -8.0285 0.3997 0.0044 C 0 0 0
- -0.6410 0.4176 0.0046 C 0 0 0
- -9.2432 -0.5305 -0.0058 C 0 0 0
- 0.6410 -0.4176 -0.0046 C 0 0 0
- -10.5251 0.3046 0.0033 C 0 0 0
- 1.8557 0.5127 0.0056 C 0 0 0
- -11.7398 -0.6256 -0.0068 C 0 0 0
- 3.1376 -0.3225 -0.0035 C 0 0 0
- 4.3523 0.6078 0.0066 C 0 0 0
- 5.6150 -0.2148 -0.0024 C 0 0 0
- 6.8119 0.3928 0.0043 O 0 0 0
- 5.5500 -1.4212 -0.0155 O 0 0 0
- 8.0285 -0.3997 -0.0044 C 0 0 0
- 9.2432 0.5305 0.0058 C 0 0 0
- 10.5251 -0.3046 -0.0033 C 0 0 0
- 11.7398 0.6256 0.0068 C 0 0 0
- -5.0833 -1.4923 0.0000 H 0 0 0
- -3.5561 -1.4341 0.0000 H 0 0 0
- -2.4066 1.2070 0.0000 H 0 0 0
- -3.9338 1.1488 0.0000 H 0 0 0
- -2.5867 -1.3972 0.0000 H 0 0 0
- -1.0595 -1.3390 0.0000 H 0 0 0
- -7.2975 1.2842 0.0000 H 0 0 0
- -8.8247 1.2260 0.0000 H 0 0 0
- 0.0900 1.3021 0.0000 H 0 0 0
- -1.4372 1.2439 0.0000 H 0 0 0
- -9.9742 -1.4150 0.0000 H 0 0 0
- -8.4470 -1.3568 0.0000 H 0 0 0
- -0.0900 -1.3021 0.0000 H 0 0 0
- 1.4372 -1.2439 0.0000 H 0 0 0
- -9.7941 1.1891 0.0000 H 0 0 0
- -11.3213 1.1309 0.0000 H 0 0 0
- 2.5867 1.3972 0.0000 H 0 0 0
- 1.0595 1.3390 0.0000 H 0 0 0
- -12.4375 0.2854 0.0000 H 0 0 0
- -12.6508 -1.3232 0.0000 H 0 0 0
- -11.0422 -1.5366 0.0000 H 0 0 0
- 2.4066 -1.2070 0.0000 H 0 0 0
- 3.9338 -1.1488 0.0000 H 0 0 0
- 5.0833 1.4923 0.0000 H 0 0 0
- 3.5561 1.4341 0.0000 H 0 0 0
- 7.2975 -1.2842 0.0000 H 0 0 0
- 8.8247 -1.2260 0.0000 H 0 0 0
- 9.9742 1.4150 0.0000 H 0 0 0
- 8.4470 1.3568 0.0000 H 0 0 0
- 9.7941 -1.1891 0.0000 H 0 0 0
- 11.3213 -1.1309 0.0000 H 0 0 0
- 12.4375 -0.2854 0.0000 H 0 0 0
- 12.6508 1.3232 0.0000 H 0 0 0
- 11.0422 1.5366 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 1 23 1 0
- 1 24 1 0
- 3 25 1 0
- 3 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 12 39 1 0
- 12 40 1 0
- 13 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 15 46 1 0
- 15 47 1 0
- 19 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 21 52 1 0
- 21 53 1 0
- 22 54 1 0
- 22 55 1 0
- 22 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-330-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.4474 0.4730 -0.2141 C 0 0 0
- -2.1232 -0.7005 0.0752 C 0 0 0
- -0.0782 0.4542 -0.4040 C 0 0 0
- -2.3211 1.9674 -0.3454 Cl 0 0 0
- -1.4299 -1.8939 0.1753 C 0 0 0
- -3.8426 -0.6744 0.3133 Cl 0 0 0
- 0.6185 -0.7423 -0.3044 C 0 0 0
- -0.0621 -1.9175 -0.0136 C 0 0 0
- 2.0050 -0.7643 -0.4967 N 0 0 0
- 2.7997 0.0417 0.2349 C 0 0 0
- 4.1193 0.1086 -0.0309 N 0 0 0
- 2.3261 0.7085 1.1346 O 0 0 0
- 4.6899 -0.6948 -1.1149 C 0 0 0
- 4.9831 0.9847 0.7644 C 0 0 0
- 0.4374 1.3369 0.0000 H 0 0 0
- -1.9475 -2.7755 0.0000 H 0 0 0
- 0.4408 -2.8075 0.0000 H 0 0 0
- 2.3920 -1.7105 0.0000 H 0 0 0
- 3.8564 -1.2867 0.0000 H 0 0 0
- 5.2818 -1.5283 0.0000 H 0 0 0
- 5.5234 -0.1029 0.0000 H 0 0 0
- 5.7110 0.2670 0.0000 H 0 0 0
- 5.7008 1.7126 0.0000 H 0 0 0
- 4.2552 1.7024 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 11 14 1 0
- 7 8 1 0
- 3 15 1 0
- 5 16 1 0
- 8 17 1 0
- 9 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136-77-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -0.9011 -0.1215 -0.6238 C 0 0 0
- -1.5453 0.9923 -0.1043 C 0 0 0
- -1.5390 -1.3474 -0.6351 C 0 0 0
- 0.4928 0.0071 -1.1819 C 0 0 0
- -2.8300 0.8745 0.4038 C 0 0 0
- -0.9176 2.1976 -0.0938 O 0 0 0
- -2.8191 -1.4673 -0.1294 C 0 0 0
- 1.5121 -0.1813 -0.0565 C 0 0 0
- -3.4676 -0.3562 0.3914 C 0 0 0
- 2.9273 -0.0508 -0.6230 C 0 0 0
- -4.7266 -0.4748 0.8891 O 0 0 0
- 3.9465 -0.2391 0.5024 C 0 0 0
- 5.3618 -0.1086 -0.0642 C 0 0 0
- 6.3810 -0.2970 1.0612 C 0 0 0
- -0.9996 -2.1491 0.0000 H 0 0 0
- 1.0501 0.7965 0.0000 H 0 0 0
- 0.0093 0.8437 0.0000 H 0 0 0
- -3.3693 1.6763 0.0000 H 0 0 0
- -0.4713 3.0546 0.0000 H 0 0 0
- -3.2606 -2.3268 0.0000 H 0 0 0
- 0.9548 -0.9707 0.0000 H 0 0 0
- 1.9956 -1.0179 0.0000 H 0 0 0
- 3.4846 0.7386 0.0000 H 0 0 0
- 2.4438 0.7858 0.0000 H 0 0 0
- -5.6886 -0.5654 0.0000 H 0 0 0
- 3.3892 -1.0285 0.0000 H 0 0 0
- 4.4300 -1.0757 0.0000 H 0 0 0
- 5.9192 0.6807 0.0000 H 0 0 0
- 4.8783 0.7281 0.0000 H 0 0 0
- 6.2054 -1.2472 0.0000 H 0 0 0
- 7.3312 -0.4726 0.0000 H 0 0 0
- 6.5566 0.6532 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 7 9 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 13 29 1 0
- 14 30 1 0
- 14 31 1 0
- 14 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18028-55-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -0.7146 -2.9998 0.0017 C 0 0 0
- -1.2739 -1.6005 0.0017 C 0 0 0
- -0.4145 -0.5048 0.0008 C 0 0 0
- -2.6379 -1.4011 -0.0031 C 0 0 0
- 1.0535 -0.3664 0.0001 C 0 0 0
- -0.9368 0.7974 0.0008 C 0 0 0
- -3.1557 -0.1153 -0.0031 C 0 0 0
- 1.3235 1.0101 -0.0002 C 0 0 0
- 2.1028 -1.2826 0.0002 C 0 0 0
- 0.1192 1.6911 0.0003 N 0 0 0
- -2.3164 0.9783 0.0010 C 0 0 0
- 2.6453 1.4455 -0.0008 C 0 0 0
- 3.4052 -0.8321 0.0000 C 0 0 0
- -2.8934 2.3704 0.0016 C 0 0 0
- 3.6738 0.5282 -0.0011 C 0 0 0
- -1.6836 -3.3871 0.0000 H 0 0 0
- -0.3273 -3.9688 0.0000 H 0 0 0
- 0.2544 -2.6125 0.0000 H 0 0 0
- -3.2831 -2.2213 0.0000 H 0 0 0
- -4.1896 0.0261 0.0000 H 0 0 0
- 1.9033 -2.3069 0.0000 H 0 0 0
- 0.0214 2.7301 0.0000 H 0 0 0
- 2.8578 2.4672 0.0000 H 0 0 0
- 4.1922 -1.5173 0.0000 H 0 0 0
- -1.9294 2.7700 0.0000 H 0 0 0
- -3.2930 3.3344 0.0000 H 0 0 0
- -3.8574 1.9708 0.0000 H 0 0 0
- 4.6631 0.8602 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 6 1 0
- 11 6 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 8 10 1 0
- 7 11 1 0
- 13 15 1 0
- 1 16 1 0
- 1 17 1 0
- 1 18 1 0
- 4 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38178-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.1562 0.3340 -0.0061 C 0 0 0
- 0.0865 -1.0366 -0.0031 C 0 0 0
- 0.8849 1.2093 -0.0054 O 0 0 0
- -1.4585 0.8039 -0.0042 C 0 0 0
- 1.3649 -1.5011 0.0006 O 0 0 0
- -0.9753 -1.9252 -0.0034 C 0 0 0
- 2.1631 0.7445 -0.0016 C 0 0 0
- -2.5155 -0.0890 0.0008 C 0 0 0
- 2.4058 -0.6256 0.0014 C 0 0 0
- -2.2746 -1.4495 -0.0067 C 0 0 0
- 3.2253 1.6334 -0.0004 C 0 0 0
- -3.9075 0.4145 0.0034 N 0 3 0
- 3.7085 -1.0957 0.0047 C 0 0 0
- 4.5242 1.1579 0.0039 C 0 0 0
- -4.8390 -0.3703 0.0078 O 0 0 0
- -4.1215 1.6135 0.0012 O 0 5 0
- 4.7652 -0.2030 0.0050 C 0 0 0
- -1.6418 1.8251 0.0000 H 0 0 0
- -0.7968 -2.9472 0.0000 H 0 0 0
- -3.0697 -2.1159 0.0000 H 0 0 0
- 3.0468 2.6554 0.0000 H 0 0 0
- 3.8918 -2.1169 0.0000 H 0 0 0
- 5.3193 1.8243 0.0000 H 0 0 0
- 5.7408 -0.5559 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 7 9 2 0
- 8 10 2 0
- 14 17 1 0
- 4 18 1 0
- 6 19 1 0
- 10 20 1 0
- 11 21 1 0
- 13 22 1 0
- 14 23 1 0
- 17 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-81-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 98 98 1 V2000
- -10.3815 1.9323 -0.2289 C 0 0 0
- -11.4269 1.7801 0.8374 C 0 0 0
- -10.1384 3.0668 -0.8611 C 0 0 0
- -9.5831 0.7606 -0.5838 C 0 0 0
- -11.8416 3.1539 1.3681 C 0 0 0
- -12.6502 1.0725 0.2510 C 0 0 0
- -10.8618 0.9421 1.9859 C 0 0 0
- -10.8713 4.3475 -0.5858 C 0 0 0
- -9.0643 3.0756 -1.9180 C 0 0 0
- -8.3783 0.5572 0.0050 C 0 0 0
- -12.1676 4.0595 0.1742 C 0 0 0
- -7.6084 -0.5727 -0.3372 C 0 0 0
- -6.4008 -0.7766 0.2531 C 0 0 0
- -8.1238 -1.5548 -1.3575 C 0 0 0
- -5.6308 -1.9065 -0.0891 C 0 0 0
- -4.4261 -2.1099 0.4997 C 0 0 0
- -3.6277 -3.2817 0.1448 C 0 0 0
- -2.4415 -3.4820 0.7246 C 0 0 0
- -4.1431 -4.2638 -0.8755 C 0 0 0
- -1.1872 -3.4950 -0.1106 C 0 0 0
- -0.1839 -2.6483 0.5097 O 0 0 0
- 1.0535 -2.5854 -0.0066 C 0 0 0
- 2.1267 -1.8001 0.7023 C 0 0 0
- 1.3069 -3.1584 -1.0397 O 0 0 0
- 3.4323 -1.8903 -0.0903 C 0 0 0
- 4.5219 -1.0930 0.6294 C 0 0 0
- 5.8275 -1.1831 -0.1631 C 0 0 0
- 6.9171 -0.3859 0.5566 C 0 0 0
- 8.2227 -0.4760 -0.2360 C 0 0 0
- 9.3123 0.3213 0.4837 C 0 0 0
- 10.6179 0.2311 -0.3089 C 0 0 0
- 11.7075 1.0284 0.4109 C 0 0 0
- 13.0131 0.9382 -0.3817 C 0 0 0
- 14.1027 1.7355 0.3380 C 0 0 0
- 15.4083 1.6453 -0.4546 C 0 0 0
- 16.4979 2.4426 0.2651 C 0 0 0
- 17.8035 2.3524 -0.5274 C 0 0 0
- 18.8931 3.1497 0.1923 C 0 0 0
- -10.1127 -0.0658 0.0000 H 0 0 0
- -10.8822 2.9464 0.0000 H 0 0 0
- -11.1950 3.8924 0.0000 H 0 0 0
- -13.1417 1.9221 0.0000 H 0 0 0
- -13.4998 0.5810 0.0000 H 0 0 0
- -12.1587 0.2229 0.0000 H 0 0 0
- -11.6756 0.3933 0.0000 H 0 0 0
- -10.3130 0.1283 0.0000 H 0 0 0
- -10.0480 1.4909 0.0000 H 0 0 0
- -9.9748 4.7472 0.0000 H 0 0 0
- -11.1791 5.2795 0.0000 H 0 0 0
- -9.0563 2.0941 0.0000 H 0 0 0
- -8.0828 3.0836 0.0000 H 0 0 0
- -9.0723 4.0571 0.0000 H 0 0 0
- -7.8487 1.3836 0.0000 H 0 0 0
- -12.4208 5.0078 0.0000 H 0 0 0
- -13.1044 3.7664 0.0000 H 0 0 0
- -5.8712 0.0498 0.0000 H 0 0 0
- -8.9929 -1.0987 0.0000 H 0 0 0
- -8.5799 -2.4239 0.0000 H 0 0 0
- -7.2547 -2.0109 0.0000 H 0 0 0
- -6.1604 -2.7329 0.0000 H 0 0 0
- -3.8964 -1.2835 0.0000 H 0 0 0
- -2.5286 -4.4597 0.0000 H 0 0 0
- -5.0122 -3.8077 0.0000 H 0 0 0
- -4.5992 -5.1329 0.0000 H 0 0 0
- -3.2740 -4.7199 0.0000 H 0 0 0
- -1.4743 -4.4336 0.0000 H 0 0 0
- -0.3680 -4.0357 0.0000 H 0 0 0
- 2.4716 -0.8811 0.0000 H 0 0 0
- 1.3448 -1.2068 0.0000 H 0 0 0
- 3.0874 -2.8093 0.0000 H 0 0 0
- 4.2142 -2.4836 0.0000 H 0 0 0
- 4.8667 -0.1740 0.0000 H 0 0 0
- 3.7399 -0.4998 0.0000 H 0 0 0
- 5.4827 -2.1021 0.0000 H 0 0 0
- 6.6094 -1.7764 0.0000 H 0 0 0
- 7.2619 0.5331 0.0000 H 0 0 0
- 6.1352 0.2074 0.0000 H 0 0 0
- 7.8779 -1.3950 0.0000 H 0 0 0
- 9.0047 -1.0692 0.0000 H 0 0 0
- 9.6572 1.2403 0.0000 H 0 0 0
- 8.5304 0.9146 0.0000 H 0 0 0
- 10.2730 -0.6879 0.0000 H 0 0 0
- 11.3998 -0.3622 0.0000 H 0 0 0
- 12.0524 1.9474 0.0000 H 0 0 0
- 10.9256 1.6217 0.0000 H 0 0 0
- 12.6682 0.0192 0.0000 H 0 0 0
- 13.7950 0.3449 0.0000 H 0 0 0
- 14.4476 2.6545 0.0000 H 0 0 0
- 13.3208 2.3288 0.0000 H 0 0 0
- 15.0634 0.7263 0.0000 H 0 0 0
- 16.1902 1.0520 0.0000 H 0 0 0
- 16.8428 3.3616 0.0000 H 0 0 0
- 15.7160 3.0359 0.0000 H 0 0 0
- 17.4586 1.4334 0.0000 H 0 0 0
- 18.5854 1.7591 0.0000 H 0 0 0
- 19.4727 2.3576 0.0000 H 0 0 0
- 19.6852 3.7293 0.0000 H 0 0 0
- 18.3135 3.9418 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 5 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 22 24 2 0
- 23 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 30 31 1 0
- 31 32 1 0
- 32 33 1 0
- 33 34 1 0
- 34 35 1 0
- 35 36 1 0
- 36 37 1 0
- 37 38 1 0
- 8 11 1 0
- 4 39 1 0
- 5 40 1 0
- 5 41 1 0
- 6 42 1 0
- 6 43 1 0
- 6 44 1 0
- 7 45 1 0
- 7 46 1 0
- 7 47 1 0
- 8 48 1 0
- 8 49 1 0
- 9 50 1 0
- 9 51 1 0
- 9 52 1 0
- 10 53 1 0
- 11 54 1 0
- 11 55 1 0
- 13 56 1 0
- 14 57 1 0
- 14 58 1 0
- 14 59 1 0
- 15 60 1 0
- 16 61 1 0
- 18 62 1 0
- 19 63 1 0
- 19 64 1 0
- 19 65 1 0
- 20 66 1 0
- 20 67 1 0
- 23 68 1 0
- 23 69 1 0
- 25 70 1 0
- 25 71 1 0
- 26 72 1 0
- 26 73 1 0
- 27 74 1 0
- 27 75 1 0
- 28 76 1 0
- 28 77 1 0
- 29 78 1 0
- 29 79 1 0
- 30 80 1 0
- 30 81 1 0
- 31 82 1 0
- 31 83 1 0
- 32 84 1 0
- 32 85 1 0
- 33 86 1 0
- 33 87 1 0
- 34 88 1 0
- 34 89 1 0
- 35 90 1 0
- 35 91 1 0
- 36 92 1 0
- 36 93 1 0
- 37 94 1 0
- 37 95 1 0
- 38 96 1 0
- 38 97 1 0
- 38 98 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-87-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -2.4438 0.1868 0.0032 C 0 0 0
- -1.4996 -0.7580 0.0036 O 0 0 0
- -1.8554 1.4542 0.0012 C 0 0 0
- -3.9067 -0.0722 -0.0010 N 0 3 0
- -0.2782 -0.1747 0.0020 C 0 0 0
- -0.5029 1.2847 0.0004 C 0 0 0
- -4.6903 0.8604 -0.0011 O 0 0 0
- -4.3901 -1.4031 -0.0050 O 0 5 0
- 0.9419 -0.8196 0.0023 C 0 0 0
- 2.0757 -0.1073 0.0005 N 0 0 0
- 3.2162 -0.7101 0.0007 N 0 0 0
- 4.3574 0.0069 -0.0011 C 0 0 0
- 4.3071 1.3538 -0.0031 N 0 0 0
- 5.4313 -0.5607 -0.0008 O 0 0 0
- -2.3462 2.3404 0.0000 H 0 0 0
- 0.2033 2.0110 0.0000 H 0 0 0
- 0.9797 -1.8319 0.0000 H 0 0 0
- 3.2540 -1.7224 0.0000 H 0 0 0
- 5.1649 1.8927 0.0000 H 0 0 0
- 3.4115 1.8272 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 2 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 5 6 2 0
- 3 15 1 0
- 6 16 1 0
- 9 17 1 0
- 11 18 1 0
- 13 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110690-43-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 63 1 V2000
- 4.1181 0.3184 0.5177 N 0 0 0
- 2.7947 0.5122 0.3516 C 0 0 0
- 4.9223 0.2496 -0.5587 C 0 0 0
- 4.6358 0.1982 1.7870 C 0 0 0
- 1.8894 -0.6474 0.2182 C 0 0 0
- 2.3463 1.6406 0.3116 O 0 0 0
- 6.2471 0.0564 -0.4220 N 0 0 0
- 4.4453 0.3633 -1.6709 O 0 0 0
- 5.9606 0.0043 1.9507 C 0 0 0
- 0.5100 -0.4543 0.1644 C 0 0 0
- 2.4142 -1.9402 0.1398 C 0 0 0
- 6.7938 -0.0722 0.8037 C 0 0 0
- 7.0997 -0.0149 -1.6112 C 0 0 0
- 6.4873 -0.1152 3.1890 F 0 0 0
- -0.3366 -1.5539 0.0385 C 0 0 0
- 1.5694 -3.0254 0.0151 C 0 0 0
- 7.9924 -0.2474 0.9261 O 0 0 0
- 7.2336 1.2890 -2.1802 O 0 0 0
- -1.7997 -1.3590 -0.0198 C 0 0 0
- 0.2019 -2.8418 -0.0329 C 0 0 0
- 8.3240 1.9228 -1.5085 C 0 0 0
- -2.6171 -2.4237 -0.1415 O 0 0 0
- -2.2661 -0.2391 0.0421 O 0 0 0
- 8.5220 3.3308 -2.0735 C 0 0 0
- -3.9596 -2.2448 -0.1950 C 0 0 0
- -4.8058 -3.3565 -0.3218 C 0 0 0
- -4.4624 -1.0248 -0.1219 N 0 0 0
- -6.1916 -3.1511 -0.3749 C 0 0 0
- -4.2629 -4.6795 -0.3961 C 0 0 0
- -5.7664 -0.8052 -0.1697 C 0 0 0
- -6.6670 -1.8573 -0.2999 C 0 0 0
- -3.8322 -5.7290 -0.4552 N 0 0 0
- -6.2323 0.4658 -0.0906 O 0 0 0
- -5.3691 1.4933 0.0357 C 0 0 0
- -5.8766 2.8778 0.1219 C 0 0 0
- -4.1739 1.2807 0.0786 O 0 0 0
- -4.9850 3.9448 0.2527 C 0 0 0
- -7.2494 3.1262 0.0671 C 0 0 0
- -5.4656 5.2350 0.3322 C 0 0 0
- -7.7165 4.4218 0.1476 C 0 0 0
- -6.8279 5.4737 0.2825 C 0 0 0
- 4.4473 -0.7997 0.0000 H 0 0 0
- 0.1260 0.4858 0.0000 H 0 0 0
- 3.4201 -2.0798 0.0000 H 0 0 0
- 7.0087 -1.0263 0.0000 H 0 0 0
- 8.1105 -0.1123 0.0000 H 0 0 0
- 1.9535 -3.9655 0.0000 H 0 0 0
- -0.4160 -3.6477 0.0000 H 0 0 0
- 8.6284 0.9540 0.0000 H 0 0 0
- 9.3361 2.0064 0.0000 H 0 0 0
- 9.5276 3.1894 0.0000 H 0 0 0
- 8.6634 4.3364 0.0000 H 0 0 0
- 7.5164 3.4722 0.0000 H 0 0 0
- -6.8324 -3.9389 0.0000 H 0 0 0
- -7.6665 -1.6776 0.0000 H 0 0 0
- -3.9841 3.7732 0.0000 H 0 0 0
- -7.9051 2.3507 0.0000 H 0 0 0
- -4.8162 6.0157 0.0000 H 0 0 0
- -8.7160 4.6013 0.0000 H 0 0 0
- -7.1742 6.4284 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 7 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 15 19 1 0
- 15 20 1 0
- 18 21 1 0
- 19 22 1 0
- 19 23 2 0
- 21 24 1 0
- 22 25 1 0
- 25 26 2 0
- 25 27 1 0
- 26 28 1 0
- 26 29 1 0
- 27 30 2 0
- 28 31 2 0
- 29 32 3 0
- 30 33 1 0
- 33 34 1 0
- 34 35 1 0
- 34 36 2 0
- 35 37 1 0
- 35 38 2 0
- 37 39 2 0
- 38 40 1 0
- 39 41 1 0
- 9 12 1 0
- 16 20 2 0
- 30 31 1 0
- 40 41 2 0
- 4 42 1 0
- 10 43 1 0
- 11 44 1 0
- 13 45 1 0
- 13 46 1 0
- 16 47 1 0
- 20 48 1 0
- 21 49 1 0
- 21 50 1 0
- 24 51 1 0
- 24 52 1 0
- 24 53 1 0
- 28 54 1 0
- 31 55 1 0
- 37 56 1 0
- 38 57 1 0
- 39 58 1 0
- 40 59 1 0
- 41 60 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146177-58-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- 0.9223 -0.4995 -0.0016 C 0 0 0
- -0.5345 -0.3910 -0.0008 C 0 0 0
- 1.6830 0.6726 -0.0014 C 0 0 0
- 1.7837 -1.5422 0.0029 N 0 0 0
- -1.1210 0.8993 0.0001 C 0 0 0
- -1.3126 -1.4722 -0.0014 N 0 0 0
- 1.0573 1.9217 -0.0005 C 0 0 0
- 3.0074 0.2701 -0.0018 N 0 0 0
- 3.0161 -1.0934 0.0000 C 0 0 0
- -0.2946 2.0390 0.0007 C 0 0 0
- -2.4531 1.0143 0.0008 N 0 0 0
- -2.6211 -1.3341 -0.0011 C 0 0 0
- 4.1816 1.1462 -0.0018 C 0 0 0
- 4.1488 -1.8811 0.0031 N 0 0 0
- -0.9207 3.4098 0.0012 C 0 0 0
- -3.2012 -0.0666 0.0007 C 0 0 0
- -3.5008 -2.5577 -0.0018 C 0 0 0
- -4.7024 0.0659 0.0020 C 0 0 0
- 1.6425 2.7836 0.0000 H 0 0 0
- 4.8046 0.3112 0.0000 H 0 0 0
- 5.0166 1.7692 0.0000 H 0 0 0
- 3.5586 1.9812 0.0000 H 0 0 0
- 4.0613 -2.9192 0.0000 H 0 0 0
- 5.0916 -1.4378 0.0000 H 0 0 0
- 0.0269 3.8426 0.0000 H 0 0 0
- -1.3535 4.3574 0.0000 H 0 0 0
- -1.8683 2.9770 0.0000 H 0 0 0
- -4.3467 -1.9496 0.0000 H 0 0 0
- -4.1089 -3.4036 0.0000 H 0 0 0
- -2.6549 -3.1658 0.0000 H 0 0 0
- -4.6108 1.1037 0.0000 H 0 0 0
- -5.7402 0.1575 0.0000 H 0 0 0
- -4.7940 -0.9719 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 16 18 1 0
- 7 10 2 0
- 8 9 1 0
- 12 16 1 0
- 7 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 1.2616 -0.1071 -0.6606 C 0 0 0
- 0.2226 -0.6887 0.1928 N 0 0 0
- 2.3316 0.5117 0.2015 C 0 0 0
- -0.9562 -0.2819 0.1078 C 0 0 0
- 3.5670 0.0834 0.1206 C 0 0 0
- -2.4214 0.2237 0.0022 S 0 0 0
- 1.2535 -1.0423 0.0000 H 0 0 0
- 2.0697 -0.5779 0.0000 H 0 0 0
- 2.2426 1.4427 0.0000 H 0 0 0
- 3.7435 -0.8351 0.0000 H 0 0 0
- 4.2741 0.6955 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 3 5 2 0
- 4 6 2 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-509-14-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.0000 0.0000 0.0000 C 0 0 0
- 0.8458 -1.1937 -0.0762 N 0 3 0
- -0.8458 0.0762 -1.1937 N 0 3 0
- -0.8458 -0.0762 1.1937 N 0 3 0
- 0.8458 1.1937 0.0762 N 0 3 0
- 2.0587 -1.0822 -0.0691 O 0 0 0
- 0.3362 -2.2977 -0.1466 O 0 5 0
- -2.0587 0.0691 -1.0822 O 0 0 0
- -0.3362 0.1466 -2.2977 O 0 5 0
- -0.3362 -0.1466 2.2977 O 0 0 0
- -2.0587 -0.0691 1.0822 O 0 5 0
- 0.3362 2.2977 0.1466 O 0 0 0
- 2.0587 1.0822 0.0691 O 0 5 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 2 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122-20-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 33 1 V2000
- -0.0470 0.0498 0.4121 N 0 0 0
- -1.3634 0.4108 0.9552 C 0 0 0
- 0.9156 1.0126 0.9637 C 0 0 0
- 0.2973 -1.2620 0.9766 C 0 0 0
- -2.4321 0.2070 -0.1205 C 0 0 0
- 1.4641 1.8887 -0.1644 C 0 0 0
- 1.0020 -2.1059 -0.0873 C 0 0 0
- -3.8182 0.4235 0.4902 C 0 0 0
- -2.2267 1.1442 -1.1796 O 0 0 0
- 2.3188 3.0097 0.4301 C 0 0 0
- 2.2650 1.0921 -1.0396 O 0 0 0
- 1.5105 -3.4030 0.5451 C 0 0 0
- 0.0819 -2.4160 -1.1358 O 0 0 0
- -0.8073 1.1589 0.0000 H 0 0 0
- -1.8586 1.2006 0.0000 H 0 0 0
- 1.2240 0.1329 0.0000 H 0 0 0
- 1.8420 0.9093 0.0000 H 0 0 0
- -0.6281 -1.1499 0.0000 H 0 0 0
- -0.1478 -2.0811 0.0000 H 0 0 0
- -2.4165 -0.7251 0.0000 H 0 0 0
- 0.6976 2.4192 0.0000 H 0 0 0
- 1.8041 -1.6309 0.0000 H 0 0 0
- -3.6743 1.3445 0.0000 H 0 0 0
- -4.7392 0.5674 0.0000 H 0 0 0
- -3.9621 -0.4975 0.0000 H 0 0 0
- -2.0271 2.0548 0.0000 H 0 0 0
- 3.0601 2.4445 0.0000 H 0 0 0
- 2.8840 3.7510 0.0000 H 0 0 0
- 1.5775 3.5749 0.0000 H 0 0 0
- 2.9259 0.4347 0.0000 H 0 0 0
- 0.6426 -3.7432 0.0000 H 0 0 0
- 1.8507 -4.2709 0.0000 H 0 0 0
- 2.3784 -3.0628 0.0000 H 0 0 0
- -0.8015 -2.7137 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 2 14 1 0
- 2 15 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50264-69-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -1.7687 -1.2666 -0.5684 C 0 0 0
- -2.7738 -0.6893 0.2320 C 0 0 0
- -1.0005 -0.2259 -1.0214 N 0 0 0
- -1.7459 -2.6471 -0.7393 C 0 0 0
- -2.4963 0.7526 0.1825 C 0 0 0
- -3.7263 -1.4973 0.8459 C 0 0 0
- -1.4347 0.8994 -0.5818 N 0 0 0
- 0.1663 -0.3781 -1.8941 C 0 0 0
- -2.6938 -3.4223 -0.1318 C 0 0 0
- -3.2551 1.8210 0.8540 C 0 0 0
- -3.6777 -2.8518 0.6655 C 0 0 0
- 1.4205 -0.3883 -1.0587 C 0 0 0
- -2.8764 3.1069 0.7135 O 0 0 0
- -4.2228 1.5433 1.5348 O 0 0 0
- 1.9716 0.8041 -0.6237 C 0 0 0
- 2.0169 -1.5888 -0.7225 C 0 0 0
- 3.1225 0.7946 0.1434 C 0 0 0
- 1.2190 2.3117 -1.0411 Cl 0 0 0
- 3.1672 -1.5990 0.0442 C 0 0 0
- 3.7220 -0.4073 0.4753 C 0 0 0
- 5.1668 -0.4203 1.4376 Cl 0 0 0
- -0.8659 -3.0554 0.0000 H 0 0 0
- -4.6138 -1.1055 0.0000 H 0 0 0
- -0.3917 -1.1717 0.0000 H 0 0 0
- 0.6099 -1.2409 0.0000 H 0 0 0
- -2.6163 -4.3893 0.0000 H 0 0 0
- -4.5095 -3.3511 0.0000 H 0 0 0
- -2.6023 4.0375 0.0000 H 0 0 0
- 1.5022 -2.4111 0.0000 H 0 0 0
- 3.6363 1.6175 0.0000 H 0 0 0
- 3.6851 -2.4193 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 1 0
- 10 14 2 0
- 12 15 1 0
- 12 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 20 21 1 0
- 5 7 2 0
- 9 11 1 0
- 19 20 2 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 11 27 1 0
- 13 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-185-75-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.7351 -0.0330 -0.2061 C 0 0 0
- -2.2249 0.0638 -0.5232 C 0 0 0
- -1.7218 0.0860 0.8150 O 0 0 0
- -0.0475 -1.3905 -0.3889 C 0 0 0
- 0.1473 1.1805 -0.5047 C 0 0 0
- 1.3149 -1.3278 0.3173 C 0 0 0
- 1.3423 1.0962 0.2737 O 0 0 0
- 2.0508 -0.0679 -0.1449 C 0 0 0
- -2.7432 0.9456 0.0000 H 0 0 0
- -2.7614 -0.8071 0.0000 H 0 0 0
- -1.0159 -1.7199 0.0000 H 0 0 0
- 0.1426 -2.3956 0.0000 H 0 0 0
- 0.4068 2.1699 0.0000 H 0 0 0
- -0.7770 1.6186 0.0000 H 0 0 0
- 1.1665 -2.3399 0.0000 H 0 0 0
- 2.2802 -1.6661 0.0000 H 0 0 0
- 2.8372 -0.7220 0.0000 H 0 0 0
- 2.8253 0.6003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 3 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51230-49-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 23 1 V2000
- 1.4260 -0.4988 -0.0009 C 0 0 0
- 0.0099 -0.0844 -0.0001 C 0 0 0
- 2.1692 0.6896 -0.0009 C 0 0 0
- 2.0729 -1.7300 0.0033 C 0 0 0
- 0.0248 1.3175 0.0004 C 0 0 0
- -1.1984 -0.7724 -0.0004 C 0 0 0
- 1.3108 1.7330 -0.0001 O 0 0 0
- 3.5575 0.6206 -0.0012 C 0 0 0
- 3.4511 -1.7786 0.0009 C 0 0 0
- -1.1807 2.0084 0.0012 C 0 0 0
- -2.3865 -0.0693 -0.0003 C 0 0 0
- 4.1887 -0.6053 -0.0015 C 0 0 0
- -2.3742 1.3171 0.0016 C 0 0 0
- -3.8983 -0.9226 -0.0007 Cl 0 0 0
- 1.5190 -2.6113 0.0000 H 0 0 0
- -1.2071 -1.8133 0.0000 H 0 0 0
- 4.1214 1.4956 0.0000 H 0 0 0
- 3.9384 -2.6985 0.0000 H 0 0 0
- -1.1831 3.0494 0.0000 H 0 0 0
- 5.2287 -0.6499 0.0000 H 0 0 0
- -3.2738 1.8409 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 8 12 2 0
- 10 13 1 0
- 11 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 2 0
- 4 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13345-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 37 1 V2000
- -0.0120 -0.1079 -0.0012 C 0 0 0
- -1.3649 0.2763 -0.0010 C 0 0 0
- 0.9945 0.8747 0.0004 C 0 0 0
- 0.3389 -1.5286 0.0031 C 0 0 0
- -2.3802 -0.7051 -0.0016 C 0 0 0
- -1.6968 1.6511 0.0003 C 0 0 0
- 2.3901 0.4408 0.0001 C 0 0 0
- 0.6392 2.2364 0.0026 C 0 0 0
- 1.6716 -1.9074 0.0025 C 0 0 0
- -0.7370 -2.5200 0.0074 C 0 0 0
- -3.7196 -0.2921 -0.0014 C 0 0 0
- -2.0281 -2.1214 -0.0030 C 0 0 0
- -0.6640 2.6147 0.0009 C 0 0 0
- -3.0469 2.0247 0.0006 C 0 0 0
- 2.6932 -0.9444 -0.0016 C 0 0 0
- 3.4324 1.3758 0.0005 C 0 0 0
- -4.0315 1.0615 -0.0001 C 0 0 0
- -4.7137 -1.2166 -0.0020 O 0 0 0
- 4.0437 -1.3471 -0.0028 C 0 0 0
- 4.7270 0.9490 -0.0007 C 0 0 0
- 5.0302 -0.4103 -0.0023 C 0 0 0
- 1.3938 2.9707 0.0000 H 0 0 0
- 1.9214 -2.9303 0.0000 H 0 0 0
- -0.5046 -3.5470 0.0000 H 0 0 0
- -2.7931 -2.8449 0.0000 H 0 0 0
- -0.9083 3.6389 0.0000 H 0 0 0
- -3.3097 3.0443 0.0000 H 0 0 0
- 3.2166 2.4064 0.0000 H 0 0 0
- -5.0420 1.3575 0.0000 H 0 0 0
- -5.4848 -1.9337 0.0000 H 0 0 0
- 4.2888 -2.3711 0.0000 H 0 0 0
- 5.5075 1.6558 0.0000 H 0 0 0
- 6.0374 -0.7173 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 11 17 2 0
- 11 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 2 0
- 10 12 2 0
- 14 17 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35572-78-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 1.0168 -0.2900 -0.0044 C 0 0 0
- -0.2428 -0.8607 0.0213 C 0 0 0
- 1.1535 1.0836 -0.0393 C 0 0 0
- 2.2196 -1.1525 0.0115 N 0 3 0
- -1.3690 -0.0586 0.0123 C 0 0 0
- 0.0240 1.8925 -0.0484 C 0 0 0
- 2.5264 1.7045 -0.0669 C 0 0 0
- 2.4730 -1.8619 -0.9456 O 0 0 0
- 2.9559 -1.1528 0.9817 O 0 5 0
- -1.2394 1.3161 -0.0220 C 0 0 0
- -2.7150 -0.6738 0.0399 N 0 3 0
- 0.1587 3.2823 -0.0836 N 0 0 0
- -3.7075 0.0322 0.0320 O 0 0 0
- -2.8300 -1.8859 0.0706 O 0 5 0
- -0.3430 -1.8929 0.0000 H 0 0 0
- 2.9537 0.7596 0.0000 H 0 0 0
- 3.4713 2.1318 0.0000 H 0 0 0
- 2.0991 2.6494 0.0000 H 0 0 0
- -2.0844 1.9173 0.0000 H 0 0 0
- 1.1027 3.7118 0.0000 H 0 0 0
- -0.6852 3.8851 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 2 0
- 2 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-495-48-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.7561 0.0919 0.0745 C 0 0 0
- 0.4318 0.3135 0.2125 N 0 3 0
- 2.6722 1.1341 0.2845 C 0 0 0
- 2.2260 -1.1833 -0.2741 C 0 0 0
- -0.4066 -0.6475 0.0185 N 0 0 0
- 0.0284 1.4208 0.5202 O 0 5 0
- 4.0215 0.8980 0.1412 C 0 0 0
- 3.5796 -1.3995 -0.4127 C 0 0 0
- -1.7738 -0.3793 -0.0373 C 0 0 0
- 4.4753 -0.3631 -0.2090 C 0 0 0
- -2.2351 0.7564 -0.6938 C 0 0 0
- -2.6796 -1.2495 0.5583 C 0 0 0
- -3.5894 1.0185 -0.7469 C 0 0 0
- -4.0328 -0.9804 0.5009 C 0 0 0
- -4.4873 0.1531 -0.1480 C 0 0 0
- 2.3360 2.0898 0.0000 H 0 0 0
- 1.5826 -1.9659 0.0000 H 0 0 0
- 4.6736 1.6734 0.0000 H 0 0 0
- 3.9269 -2.3513 0.0000 H 0 0 0
- 5.4714 -0.5481 0.0000 H 0 0 0
- -1.5917 1.5390 0.0000 H 0 0 0
- -2.3952 -2.2219 0.0000 H 0 0 0
- -3.8771 1.9900 0.0000 H 0 0 0
- -4.6800 -1.7599 0.0000 H 0 0 0
- -5.4779 0.3655 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 9 12 2 0
- 11 13 2 0
- 12 14 1 0
- 13 15 1 0
- 8 10 2 0
- 14 15 2 0
- 3 16 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98-88-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.3037 0.2064 0.0038 C 0 0 0
- 0.7168 -1.1293 0.0040 C 0 0 0
- 1.2595 1.2262 0.0002 C 0 0 0
- -1.1318 0.5372 0.0010 C 0 0 0
- 2.0622 -1.4311 0.0008 C 0 0 0
- 2.6017 0.9086 -0.0029 C 0 0 0
- -1.4869 1.6972 0.0008 O 0 0 0
- -2.3153 -0.7328 -0.0018 Cl 0 0 0
- 3.0028 -0.4157 -0.0026 C 0 0 0
- 0.0124 -1.8918 0.0000 H 0 0 0
- 0.9600 2.2201 0.0000 H 0 0 0
- 2.3704 -2.4224 0.0000 H 0 0 0
- 3.3127 1.6649 0.0000 H 0 0 0
- 4.0144 -0.6489 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 9 2 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-437-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.7564 0.5526 0.1834 C 0 0 0
- -0.7936 -0.8466 0.2994 C 0 0 0
- 0.5568 1.2200 0.2772 C 0 0 0
- -1.9239 1.2945 -0.0319 C 0 0 0
- 0.2795 -1.5934 0.5787 O 0 0 0
- -2.0221 -1.4852 0.1302 C 0 0 0
- 1.7083 0.2987 0.1266 C 0 0 0
- 0.6826 2.4172 0.4609 O 0 0 0
- -3.1303 0.6362 -0.1860 C 0 0 0
- -1.8722 2.6491 -0.0885 O 0 0 0
- 1.4753 -1.0748 0.2767 C 0 0 0
- -3.1701 -0.7519 -0.1122 C 0 0 0
- 2.9793 0.7891 -0.1598 C 0 0 0
- 2.5551 -1.9469 0.1054 C 0 0 0
- -4.3523 -1.3968 -0.2809 O 0 0 0
- 4.0324 -0.0938 -0.3152 C 0 0 0
- 3.8083 -1.4607 -0.1853 C 0 0 0
- -5.3418 -0.3919 -0.5114 C 0 0 0
- 5.2795 0.3714 -0.5930 O 0 0 0
- -2.0680 -2.5149 0.0000 H 0 0 0
- -4.0090 1.1749 0.0000 H 0 0 0
- -1.8329 3.6791 0.0000 H 0 0 0
- 3.1483 1.8059 0.0000 H 0 0 0
- 2.3963 -2.9653 0.0000 H 0 0 0
- 4.6087 -2.1101 0.0000 H 0 0 0
- -4.6074 0.3313 0.0000 H 0 0 0
- -6.0650 0.3426 0.0000 H 0 0 0
- -6.0763 -1.1151 0.0000 H 0 0 0
- 6.2452 0.7316 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 13 16 2 0
- 14 17 2 0
- 15 18 1 0
- 16 19 1 0
- 7 11 2 0
- 9 12 1 0
- 16 17 1 0
- 6 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 14 24 1 0
- 17 25 1 0
- 18 26 1 0
- 18 27 1 0
- 18 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-80-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -1.5051 0.7031 -0.0023 C 0 0 0
- -1.5051 -0.7031 -0.0019 C 0 0 0
- -0.2160 1.4285 -0.0016 C 0 0 0
- -2.7112 1.3933 0.0024 C 0 0 0
- -0.2160 -1.4285 -0.0008 C 0 0 0
- -2.7112 -1.3933 -0.0021 C 0 0 0
- 1.0498 0.6718 -0.0004 C 0 0 0
- -0.2001 2.6433 -0.0023 O 0 0 0
- -3.9064 0.6908 0.0075 C 0 0 0
- 1.0498 -0.6718 -0.0001 C 0 0 0
- -0.2001 -2.6433 -0.0001 O 0 0 0
- -3.9064 -0.6908 -0.0026 C 0 0 0
- 2.5597 1.5283 0.0005 Cl 0 0 0
- 2.5597 -1.5283 0.0013 Cl 0 0 0
- -2.7172 2.4355 0.0000 H 0 0 0
- -2.7172 -2.4355 0.0000 H 0 0 0
- -4.8110 1.2084 0.0000 H 0 0 0
- -4.8110 -1.2084 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 7 10 2 0
- 9 12 1 0
- 4 15 1 0
- 6 16 1 0
- 9 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91254-96-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.1880 -0.2889 0.0017 C 0 0 0
- -1.4315 0.4993 -0.0190 C 0 0 0
- 1.0992 0.4293 -0.0032 C 0 0 0
- -0.2354 -1.5996 0.0293 C 0 0 0
- -2.5971 -0.1027 -0.0149 C 0 0 0
- -1.3309 1.9697 -0.0436 C 0 0 0
- 2.2195 -0.2594 0.0152 C 0 0 0
- 1.1048 1.8996 -0.0281 C 0 0 0
- -1.5415 -2.2801 0.0398 C 0 0 0
- 1.0209 -2.3679 0.0498 C 0 0 0
- -2.6556 -1.5742 0.0098 C 0 0 0
- -3.8280 0.7056 -0.0357 C 0 0 0
- -0.0033 2.6020 -0.0475 C 0 0 0
- -2.4318 2.6889 -0.0621 C 0 0 0
- 2.1750 -1.7325 0.0404 C 0 0 0
- 3.4121 0.3838 0.0106 N 0 3 0
- -1.5992 -3.6406 0.0684 O 0 0 0
- -3.7454 2.0202 -0.0581 C 0 0 0
- 4.2359 0.1332 -0.8508 O 0 0 0
- 3.6602 1.2127 0.8679 O 0 5 0
- 2.0006 2.3901 0.0000 H 0 0 0
- 0.9976 -3.3889 0.0000 H 0 0 0
- -3.5600 -2.0487 0.0000 H 0 0 0
- -4.7415 0.2490 0.0000 H 0 0 0
- 0.0582 3.6214 0.0000 H 0 0 0
- -2.3768 3.7087 0.0000 H 0 0 0
- 3.0463 -2.2653 0.0000 H 0 0 0
- -1.6425 -4.6610 0.0000 H 0 0 0
- -4.5989 2.5810 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 16 19 2 0
- 16 20 1 0
- 8 13 2 0
- 9 11 2 0
- 10 15 2 0
- 14 18 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-523-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.3040 -0.5559 -0.1353 C 0 0 0
- -1.0118 -1.0562 -0.2145 C 0 0 0
- 0.5028 0.8388 0.0289 C 0 0 0
- 1.4128 -1.4154 -0.2106 C 0 0 0
- -2.0581 -0.1417 -0.1260 C 0 0 0
- -1.2500 -2.3810 -0.3718 O 0 0 0
- -0.5415 1.6691 0.1082 N 0 0 0
- 1.8162 1.3342 0.1075 C 0 0 0
- 2.6698 -0.9025 -0.1305 C 0 0 0
- -1.7861 1.2333 0.0371 C 0 0 0
- -3.5221 -0.2540 -0.1629 C 0 0 0
- -1.4747 -2.9180 0.9333 C 0 0 0
- 2.8726 0.4728 0.0253 C 0 0 0
- -2.9776 1.8652 0.0906 O 0 0 0
- -3.9939 0.9910 -0.0268 C 0 0 0
- 4.1390 0.9580 0.1020 O 0 0 0
- 5.0182 -0.1626 -0.0130 C 0 0 0
- 1.2742 -2.4283 0.0000 H 0 0 0
- 1.9808 2.3432 0.0000 H 0 0 0
- 3.4743 -1.5332 0.0000 H 0 0 0
- -4.0703 -1.1169 0.0000 H 0 0 0
- -2.4178 -2.5234 0.0000 H 0 0 0
- -1.8693 -3.8611 0.0000 H 0 0 0
- -0.5316 -3.3126 0.0000 H 0 0 0
- -4.9847 1.2430 0.0000 H 0 0 0
- 4.2139 -0.7936 0.0000 H 0 0 0
- 5.6492 -0.9669 0.0000 H 0 0 0
- 5.8225 0.4684 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 13 16 1 0
- 16 17 1 0
- 7 10 1 0
- 9 13 1 0
- 14 15 1 0
- 4 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 15 25 1 0
- 17 26 1 0
- 17 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-79-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -1.2529 -0.0001 0.0005 C 0 0 0
- -0.5581 -1.2011 0.0000 C 0 0 0
- -0.5578 1.2012 0.0005 C 0 0 0
- -2.6124 -0.0001 -0.0048 O 0 0 0
- 0.8245 -1.1986 -0.0004 C 0 0 0
- -1.5014 -2.8400 0.0006 Br 0 0 0
- 0.8243 1.1987 0.0002 C 0 0 0
- -1.5010 2.8402 0.0005 Br 0 0 0
- 1.5150 -0.0002 -0.0003 C 0 0 0
- 3.4060 -0.0002 -0.0002 Br 0 0 0
- -3.6516 -0.0001 0.0000 H 0 0 0
- 1.3453 -2.0979 0.0000 H 0 0 0
- 1.3451 2.0979 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 9 10 1 0
- 7 9 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-504-78-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 1.3457 -0.8129 -0.0670 C 0 0 0
- -0.0719 -1.4253 -0.1160 C 0 0 0
- 1.3618 0.6202 0.2351 N 0 0 0
- -1.1336 0.0698 0.0799 S 0 0 0
- 0.1637 1.3285 -0.3047 C 0 0 0
- 1.6525 -1.9297 0.0000 H 0 0 0
- 2.4943 -0.6646 0.0000 H 0 0 0
- -1.0607 -2.0283 0.0000 H 0 0 0
- 0.4605 -2.4538 0.0000 H 0 0 0
- 2.3710 1.1884 0.0000 H 0 0 0
- 0.8392 2.2692 0.0000 H 0 0 0
- -0.7134 2.0849 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 5 1 0
- 1 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24903-48-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.4208 -0.1678 -0.0022 C 0 0 0
- -2.8839 -0.2996 -0.0016 C 0 0 0
- -0.8457 1.1283 -0.0004 C 0 0 0
- -0.6087 -1.2941 0.0012 C 0 0 0
- -3.6818 0.8642 0.0010 C 0 0 0
- -3.4936 -1.5558 -0.0031 C 0 0 0
- 0.5424 1.2719 -0.0005 C 0 0 0
- -1.7093 2.3058 0.0022 C 0 0 0
- 0.7799 -1.1508 0.0011 C 0 0 0
- -3.0519 2.1804 0.0024 C 0 0 0
- -5.0777 0.7375 0.0017 C 0 0 0
- -4.8568 -1.6475 -0.0019 C 0 0 0
- 1.3552 0.1457 -0.0024 C 0 0 0
- 1.6410 -2.3301 0.0049 C 0 0 0
- -5.6453 -0.5037 -0.0002 C 0 0 0
- 2.8170 0.2736 -0.0020 C 0 0 0
- 2.9851 -2.2082 0.0051 C 0 0 0
- 3.6126 -0.8943 -0.0034 C 0 0 0
- 3.4471 1.5182 0.0000 C 0 0 0
- 5.0078 -0.7448 -0.0024 C 0 0 0
- 4.7614 1.5905 0.0008 N 0 0 0
- 5.5330 0.5158 -0.0004 C 0 0 0
- -1.0372 -2.2495 0.0000 H 0 0 0
- -2.9084 -2.4241 0.0000 H 0 0 0
- 0.9706 2.2275 0.0000 H 0 0 0
- -1.2800 3.2609 0.0000 H 0 0 0
- -3.6507 3.0394 0.0000 H 0 0 0
- -5.6829 1.5920 0.0000 H 0 0 0
- -5.3123 -2.5904 0.0000 H 0 0 0
- 1.2094 -3.2841 0.0000 H 0 0 0
- -6.6884 -0.5950 0.0000 H 0 0 0
- 3.5831 -3.0678 0.0000 H 0 0 0
- 2.8745 2.3949 0.0000 H 0 0 0
- 5.6343 -1.5838 0.0000 H 0 0 0
- 6.5733 0.6349 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-452-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- 0.7532 0.7399 0.0026 C 0 0 0
- 0.4978 -0.6455 -0.0006 C 0 0 0
- 2.1275 0.8732 0.0026 N 0 0 0
- -0.3202 1.6171 0.0000 C 0 0 0
- -0.7695 -1.0630 -0.0006 N 0 0 0
- 1.6945 -1.2621 -0.0023 N 0 0 0
- 2.6496 -0.3743 -0.0004 C 0 0 0
- -1.5477 1.1220 -0.0054 N 0 0 0
- -1.7601 -0.1883 0.0024 C 0 0 0
- -3.0652 -0.6549 0.0022 N 0 0 0
- 2.6456 1.7398 0.0000 H 0 0 0
- -0.1684 2.6153 0.0000 H 0 0 0
- 3.6365 -0.5875 0.0000 H 0 0 0
- -3.8349 -0.0015 0.0000 H 0 0 0
- -3.2462 -1.6482 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 9 10 1 0
- 6 7 2 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 10 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-39-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 1.1892 0.6063 0.0675 C 0 0 0
- -0.0438 1.2569 0.1577 N 0 0 0
- 1.7714 0.3864 -1.1748 C 0 0 0
- 1.8388 0.1828 1.2201 C 0 0 0
- -1.2292 0.5220 0.0752 C 0 0 0
- 2.9901 -0.2570 -1.2602 C 0 0 0
- 3.0576 -0.4601 1.1273 C 0 0 0
- -2.4515 1.1780 0.0037 C 0 0 0
- -1.1877 -0.8668 0.0587 C 0 0 0
- 3.6314 -0.6824 -0.1110 C 0 0 0
- -3.6213 0.4483 -0.0782 C 0 0 0
- -2.3610 -1.5900 -0.0233 C 0 0 0
- -3.5767 -0.9336 -0.0890 C 0 0 0
- -0.0797 2.2902 0.0000 H 0 0 0
- 2.1962 1.3290 0.0000 H 0 0 0
- 1.3147 -0.7084 0.0000 H 0 0 0
- 3.5179 0.6320 0.0000 H 0 0 0
- 2.6290 -1.4009 0.0000 H 0 0 0
- -2.4852 2.2113 0.0000 H 0 0 0
- -0.2776 -1.3573 0.0000 H 0 0 0
- 4.5496 -1.1577 0.0000 H 0 0 0
- -4.5333 0.9352 0.0000 H 0 0 0
- -2.3314 -2.6235 0.0000 H 0 0 0
- -4.4559 -1.4775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 11 13 2 0
- 7 10 2 0
- 12 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-637-07-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 0.7412 0.7096 0.3252 C 0 0 0
- -0.5461 1.0915 0.5362 O 0 0 0
- 1.3836 1.0551 -0.8545 C 0 0 0
- 1.4162 -0.0214 1.2922 C 0 0 0
- -1.3593 -0.0649 0.3281 C 0 0 0
- 2.6922 0.6660 -1.0671 C 0 0 0
- 2.7243 -0.4086 1.0760 C 0 0 0
- -2.7760 0.3621 0.0420 C 0 0 0
- -0.8173 -0.8625 -0.8597 C 0 0 0
- -1.3338 -0.9389 1.5836 C 0 0 0
- 3.3617 -0.0678 -0.1042 C 0 0 0
- -3.7222 -0.5620 -0.1870 O 0 0 0
- -3.0600 1.5363 0.0186 O 0 0 0
- 5.0056 -0.5562 -0.3739 Cl 0 0 0
- -5.0871 -0.1505 -0.4627 C 0 0 0
- -5.9579 -1.3887 -0.6855 C 0 0 0
- 1.2816 2.0494 0.0000 H 0 0 0
- 0.8882 -0.8701 0.0000 H 0 0 0
- 3.2232 1.5128 0.0000 H 0 0 0
- 2.8257 -1.4030 0.0000 H 0 0 0
- -1.6440 -1.4243 0.0000 H 0 0 0
- -0.2555 -1.6892 0.0000 H 0 0 0
- 0.0094 -0.3007 0.0000 H 0 0 0
- -2.3329 -0.9680 0.0000 H 0 0 0
- -1.3047 -1.9380 0.0000 H 0 0 0
- -0.3347 -0.9098 0.0000 H 0 0 0
- -4.6983 0.7703 0.0000 H 0 0 0
- -5.9612 0.3341 0.0000 H 0 0 0
- -6.7755 -0.8137 0.0000 H 0 0 0
- -6.5329 -2.2063 0.0000 H 0 0 0
- -5.1403 -1.9637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 7 11 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.6515 -0.4010 0.0000 C 0 0 0
- -0.6515 0.4010 0.0000 C 0 0 0
- 1.8419 0.5601 0.0000 C 0 0 0
- -1.8419 -0.5601 0.0000 C 0 0 0
- 3.0588 -0.1890 0.0000 O 0 0 0
- -3.0588 0.1890 0.0000 O 0 0 0
- -0.0566 -1.3039 0.0000 H 0 0 0
- 1.4686 -1.2066 0.0000 H 0 0 0
- 0.0566 1.3039 0.0000 H 0 0 0
- -1.4686 1.2066 0.0000 H 0 0 0
- 2.5500 1.4630 0.0000 H 0 0 0
- 1.0248 1.3657 0.0000 H 0 0 0
- -2.5500 -1.4630 0.0000 H 0 0 0
- -1.0248 -1.3657 0.0000 H 0 0 0
- 4.0360 -0.7905 0.0000 H 0 0 0
- -4.0360 0.7905 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-612-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2437 0.6557 -0.0028 C 0 0 0
- -0.4495 -0.7464 -0.0009 C 0 0 0
- 1.0731 1.1521 -0.0024 C 0 0 0
- -1.3509 1.5196 0.0007 C 0 0 0
- 0.6010 -1.5727 0.0017 N 0 0 0
- -1.7645 -1.2441 -0.0014 C 0 0 0
- 2.1011 0.2523 -0.0001 C 0 0 0
- -2.6093 1.0003 0.0059 C 0 0 0
- 1.8291 -1.1138 0.0026 C 0 0 0
- -2.8141 -0.3782 -0.0036 C 0 0 0
- 3.5279 0.7373 0.0001 C 0 0 0
- 1.2594 2.1803 0.0000 H 0 0 0
- -1.2096 2.5550 0.0000 H 0 0 0
- -1.9351 -2.2750 0.0000 H 0 0 0
- -3.4326 1.6438 0.0000 H 0 0 0
- 2.6250 -1.7909 0.0000 H 0 0 0
- -3.7896 -0.7529 0.0000 H 0 0 0
- 3.8642 -0.2521 0.0000 H 0 0 0
- 4.5173 1.0736 0.0000 H 0 0 0
- 3.1916 1.7267 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 9 2 0
- 8 10 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-577-19-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 1.0825 0.3736 0.0027 C 0 0 0
- 0.2143 -0.7030 0.0001 C 0 0 0
- 2.4483 0.1599 0.0026 C 0 0 0
- 0.5494 1.7543 -0.0006 N 0 3 0
- 0.7132 -1.9934 -0.0026 C 0 0 0
- -1.6540 -0.4113 0.0009 Br 0 0 0
- 2.9463 -1.1295 0.0000 C 0 0 0
- 1.3141 2.7024 0.0017 O 0 0 0
- -0.6539 1.9425 -0.0056 O 0 5 0
- 2.0787 -2.2060 -0.0026 C 0 0 0
- 3.0992 0.9670 0.0000 H 0 0 0
- 0.0627 -2.8008 0.0000 H 0 0 0
- 3.9708 -1.2895 0.0000 H 0 0 0
- 2.4527 -3.1731 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2528-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 42 1 V2000
- -0.0330 0.8028 -0.0896 P 0 0 0
- -0.0194 -0.2894 -1.2724 O 0 0 0
- 1.2683 1.7429 -0.2121 O 0 0 0
- -1.3606 1.7060 -0.2085 O 0 0 0
- -0.0215 0.1126 1.2195 O 0 0 0
- 0.0391 -1.5105 -0.6788 C 0 0 0
- 2.3980 0.9279 0.1069 C 0 0 0
- -2.4683 0.8529 0.0869 C 0 0 0
- -1.1252 -2.1304 -0.2484 C 0 0 0
- 1.2623 -2.1417 -0.5072 C 0 0 0
- 3.6748 1.7652 0.0088 C 0 0 0
- -3.7684 1.6537 -0.0089 C 0 0 0
- -1.0631 -3.3715 0.3547 C 0 0 0
- 1.3191 -3.3831 0.0966 C 0 0 0
- 4.8843 0.8927 0.3504 C 0 0 0
- -4.9544 0.7403 0.3073 C 0 0 0
- 0.1581 -3.9962 0.5297 C 0 0 0
- 6.1611 1.7300 0.2524 C 0 0 0
- -6.2546 1.5411 0.2115 C 0 0 0
- 1.6883 0.1612 0.0000 H 0 0 0
- 3.0728 0.1303 0.0000 H 0 0 0
- -3.1194 0.0359 0.0000 H 0 0 0
- -1.7357 0.1080 0.0000 H 0 0 0
- -2.0340 -1.6151 0.0000 H 0 0 0
- 2.1418 -1.5779 0.0000 H 0 0 0
- 4.3844 2.5319 0.0000 H 0 0 0
- 3.0000 2.5628 0.0000 H 0 0 0
- -3.1173 2.4707 0.0000 H 0 0 0
- -4.5010 2.3986 0.0000 H 0 0 0
- -1.9404 -3.9388 0.0000 H 0 0 0
- 2.2260 -3.9019 0.0000 H 0 0 0
- 4.1747 0.1260 0.0000 H 0 0 0
- 5.5591 0.0951 0.0000 H 0 0 0
- -5.6055 -0.0767 0.0000 H 0 0 0
- -4.2218 -0.0046 0.0000 H 0 0 0
- 0.1649 -5.0409 0.0000 H 0 0 0
- 6.7340 0.8564 0.0000 H 0 0 0
- 7.0347 2.3029 0.0000 H 0 0 0
- 5.5882 2.6036 0.0000 H 0 0 0
- -5.7067 2.4307 0.0000 H 0 0 0
- -7.1442 2.0890 0.0000 H 0 0 0
- -6.8025 0.6515 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 1 0
- 14 17 2 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 19 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97461-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 30 1 V2000
- 4.5639 0.2100 -0.3157 C 0 0 0
- 3.5961 0.5754 0.6701 O 0 0 0
- 3.8534 -0.1222 -1.6294 C 0 0 0
- 5.5296 1.3756 -0.5389 C 0 0 0
- 5.3450 -1.0144 0.1655 C 0 0 0
- 2.5315 -0.2352 0.4910 C 0 0 0
- 1.2305 0.3117 0.4246 C 0 0 0
- 2.6925 -1.4371 0.3866 O 0 0 0
- 0.1599 -0.5034 0.2444 C 0 0 0
- -1.1433 0.0444 0.1779 C 0 0 0
- -2.2888 -0.6474 0.0030 O 0 0 0
- -1.4703 1.3807 0.2863 C 0 0 0
- -3.3253 0.2019 -0.0088 C 0 0 0
- -2.8653 1.4615 0.1623 C 0 0 0
- -4.7459 -0.1784 -0.1787 N 0 3 0
- -5.6107 0.6793 -0.1738 O 0 0 0
- -5.0499 -1.3489 -0.3235 O 0 5 0
- 3.4274 0.7889 0.0000 H 0 0 0
- 2.9423 -0.5482 0.0000 H 0 0 0
- 4.2794 -1.0333 0.0000 H 0 0 0
- 6.3041 0.7340 0.0000 H 0 0 0
- 6.1712 2.1501 0.0000 H 0 0 0
- 4.7551 2.0172 0.0000 H 0 0 0
- 4.4971 -1.5553 0.0000 H 0 0 0
- 5.8859 -1.8623 0.0000 H 0 0 0
- 6.1929 -0.4735 0.0000 H 0 0 0
- 1.1037 1.3094 0.0000 H 0 0 0
- 0.2867 -1.5011 0.0000 H 0 0 0
- -0.8268 2.1536 0.0000 H 0 0 0
- -3.4176 2.3020 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 2 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 13 14 2 0
- 3 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 9 28 1 0
- 12 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4368-56-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- -0.7043 0.2002 -0.4701 C 0 0 0
- -1.0067 -1.1387 -0.1368 C 0 0 0
- 0.6296 0.5904 -0.6148 C 0 0 0
- -1.7960 1.1704 -0.6553 C 0 0 0
- -2.4109 -1.5528 0.0177 C 0 0 0
- 0.0322 -2.0557 0.0435 C 0 0 0
- 1.6511 -0.3469 -0.4284 C 0 0 0
- 0.9396 1.9016 -0.9414 N 0 0 0
- -3.1585 0.8191 -0.1989 C 0 0 0
- -1.5803 2.2474 -1.1775 O 0 0 0
- -3.4612 -0.5165 0.1236 C 0 0 0
- -2.7039 -2.7325 0.0575 O 0 0 0
- 1.3592 -1.6397 -0.1069 C 0 0 0
- -0.2513 -3.3727 0.3709 N 0 0 0
- 1.8750 2.6623 -0.1091 C 0 0 0
- -4.1440 1.7955 -0.0942 C 0 0 0
- -4.7435 -0.8488 0.5488 C 0 0 0
- 2.6671 -2.7980 0.1214 S 0 0 0
- 2.7433 3.5522 -1.0007 C 0 0 0
- 1.0905 3.5347 0.8729 C 0 0 0
- -5.4126 1.4488 0.3352 C 0 0 0
- -5.7131 0.1337 0.6424 C 0 0 0
- 3.9776 -2.0486 -0.0727 O 0 0 0
- 2.6283 -3.1584 1.4954 O 0 0 0
- 2.5753 -3.7040 -0.9695 O 0 0 0
- 3.7202 4.3466 -0.1315 C 0 0 0
- 2.0674 4.3291 1.7421 C 0 0 0
- 2.9357 5.2191 0.8505 C 0 0 0
- 2.6155 -0.0452 0.0000 H 0 0 0
- 0.0835 2.4385 0.0000 H 0 0 0
- -1.2132 -3.6825 0.0000 H 0 0 0
- 0.4979 -4.0508 0.0000 H 0 0 0
- 2.5565 1.9162 0.0000 H 0 0 0
- -3.8872 2.7728 0.0000 H 0 0 0
- -5.0123 -1.8229 0.0000 H 0 0 0
- 2.5451 4.5431 0.0000 H 0 0 0
- 1.7744 3.8391 0.0000 H 0 0 0
- 0.4401 4.3080 0.0000 H 0 0 0
- 0.3280 2.8716 0.0000 H 0 0 0
- -6.1420 2.1481 0.0000 H 0 0 0
- -6.6851 -0.1427 0.0000 H 0 0 0
- 4.8548 -1.5470 0.0000 H 0 0 0
- 4.3706 3.5732 0.0000 H 0 0 0
- 4.4827 5.0097 0.0000 H 0 0 0
- 2.2656 3.3382 0.0000 H 0 0 0
- 3.0364 4.0423 0.0000 H 0 0 0
- 3.6722 5.9110 0.0000 H 0 0 0
- 2.2280 5.9404 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 1 0
- 15 20 1 0
- 16 21 2 0
- 17 22 2 0
- 18 23 1 0
- 18 24 2 0
- 18 25 2 0
- 19 26 1 0
- 20 27 1 0
- 26 28 1 0
- 7 13 2 0
- 9 11 2 0
- 21 22 1 0
- 27 28 1 0
- 7 29 1 0
- 8 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 22 41 1 0
- 23 42 1 0
- 26 43 1 0
- 26 44 1 0
- 27 45 1 0
- 27 46 1 0
- 28 47 1 0
- 28 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 1.6952 0.0267 -0.0012 C 0 0 0
- 0.5400 0.9946 0.0017 C 0 0 0
- 2.9613 0.4886 -0.0005 N 0 0 0
- 1.4854 -1.1678 0.0009 O 0 0 0
- -1.1527 -0.0053 -0.0002 Br 0 0 0
- 1.3159 1.7322 0.0000 H 0 0 0
- -0.1052 1.8489 0.0000 H 0 0 0
- 3.7819 -0.1989 0.0000 H 0 0 0
- 3.1464 1.5430 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-446-86-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -1.2646 0.2333 -0.0212 C 0 0 0
- -2.5046 -0.3908 0.2436 C 0 0 0
- 0.2062 -0.2962 0.7918 S 0 0 0
- -1.2363 1.2304 -0.9072 N 0 0 0
- -3.6474 0.0843 -0.4446 C 0 0 0
- -2.9090 -1.3910 1.0375 N 0 0 0
- 1.6963 0.4759 0.4540 C 0 0 0
- -2.3289 1.6276 -1.5219 C 0 0 0
- -4.6969 -0.6868 -0.0044 N 0 0 0
- -3.5124 1.0824 -1.2995 N 0 0 0
- -4.1961 -1.5717 0.8981 C 0 0 0
- 2.9263 -0.1377 -0.0930 C 0 0 0
- 2.0115 1.8084 0.6266 N 0 0 0
- 3.8117 0.8310 -0.1844 N 0 0 0
- 3.1223 -1.5607 -0.4635 N 0 3 0
- 3.2883 1.9738 0.2336 C 0 0 0
- 1.1206 2.8509 1.1422 C 0 0 0
- 4.1946 -1.9328 -0.9056 O 0 0 0
- 2.0629 -2.4865 -0.3033 O 0 5 0
- -2.3694 2.6035 0.0000 H 0 0 0
- -5.6520 -0.4822 0.0000 H 0 0 0
- -4.6281 -2.4477 0.0000 H 0 0 0
- 3.7619 2.8280 0.0000 H 0 0 0
- 1.8631 3.4855 0.0000 H 0 0 0
- 0.4860 3.5934 0.0000 H 0 0 0
- 0.3781 2.2163 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 7 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 8 10 2 0
- 9 11 1 0
- 14 16 2 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 16 23 1 0
- 17 24 1 0
- 17 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-30269-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.0327 -0.7603 0.0121 C 0 0 0
- -1.3684 -0.3079 -0.0057 C 0 0 0
- 1.0996 0.2567 0.0024 C 0 0 0
- 0.3144 -2.0413 0.0415 C 0 0 0
- -1.6386 1.1409 -0.0324 C 0 0 0
- -2.3465 -1.1822 0.0027 C 0 0 0
- 2.3564 -0.1302 0.0182 C 0 0 0
- 0.7374 1.6817 -0.0253 C 0 0 0
- -0.7802 -3.0265 0.0568 C 0 0 0
- 1.7229 -2.4712 0.0590 C 0 0 0
- -0.5111 2.0849 -0.0412 C 0 0 0
- -2.8844 1.5621 -0.0484 C 0 0 0
- -2.0354 -2.6214 0.0303 C 0 0 0
- -3.7404 -0.7072 -0.0153 C 0 0 0
- 2.6815 -1.5676 0.0453 C 0 0 0
- 3.3504 0.7906 0.0092 N 0 3 0
- -3.9891 0.5863 -0.0395 C 0 0 0
- -3.1517 2.8902 -0.0726 N 0 0 0
- 4.2086 0.7519 -0.8543 O 0 0 0
- 3.3857 1.6570 0.8645 O 0 5 0
- 1.4784 2.3771 0.0000 H 0 0 0
- -0.5680 -4.0203 0.0000 H 0 0 0
- 1.9544 -3.4607 0.0000 H 0 0 0
- -0.7054 3.0824 0.0000 H 0 0 0
- -2.7888 -3.3034 0.0000 H 0 0 0
- -4.5070 -1.3743 0.0000 H 0 0 0
- 3.6535 -1.8643 0.0000 H 0 0 0
- -4.9509 0.9143 0.0000 H 0 0 0
- -2.3892 3.5620 0.0000 H 0 0 0
- -4.1147 3.2147 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 12 17 1 0
- 12 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 11 2 0
- 9 13 2 0
- 10 15 2 0
- 14 17 2 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 17 28 1 0
- 18 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-32-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.4009 0.9238 -0.0026 C 0 0 0
- -0.0142 -0.4391 -0.0010 C 0 0 0
- 0.5868 1.9232 -0.0018 C 0 0 0
- -1.7680 1.2514 0.0010 C 0 0 0
- 1.3584 -0.7680 0.0007 C 0 0 0
- -1.0022 -1.4360 -0.0018 C 0 0 0
- 1.9040 1.5775 0.0004 C 0 0 0
- -2.6985 0.2582 0.0060 C 0 0 0
- 2.2964 0.2426 0.0010 C 0 0 0
- 1.7617 -2.1015 0.0018 N 0 0 0
- -2.3170 -1.0820 -0.0039 C 0 0 0
- 0.3108 2.9311 0.0000 H 0 0 0
- -2.0682 2.2523 0.0000 H 0 0 0
- -0.7301 -2.4449 0.0000 H 0 0 0
- 2.6320 2.3271 0.0000 H 0 0 0
- -3.7141 0.5043 0.0000 H 0 0 0
- 3.3136 0.0032 0.0000 H 0 0 0
- 1.0467 -2.8636 0.0000 H 0 0 0
- 2.7792 -2.3396 0.0000 H 0 0 0
- -3.0506 -1.8262 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21232-47-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.8775 1.0081 0.1048 C 0 0 0
- 0.4959 1.1999 0.1891 N 0 0 0
- 2.4031 -0.2771 0.1143 C 0 0 0
- 2.7272 2.1028 0.0055 C 0 0 0
- -0.3686 0.0988 0.1363 N 0 3 0
- 3.7703 -0.4637 0.0308 C 0 0 0
- 4.0923 1.9110 -0.0777 C 0 0 0
- -1.6729 0.2864 0.0859 C 0 0 0
- 0.0844 -1.0318 0.1370 O 0 5 0
- 4.6147 0.6298 -0.0623 C 0 0 0
- 4.4290 -2.0699 0.0432 Cl 0 0 0
- -2.6006 -0.8609 0.0298 C 0 0 0
- -2.2428 1.6509 0.0903 C 0 0 0
- 6.3313 0.3927 -0.1670 Cl 0 0 0
- -3.9343 -0.6261 -0.0206 C 0 0 0
- -3.5883 1.8020 0.0378 C 0 0 0
- -4.4361 0.6871 -0.0205 C 0 0 0
- -5.0378 -1.9647 -0.0869 Cl 0 0 0
- -6.1531 0.9347 -0.0874 Cl 0 0 0
- 1.7639 -1.1022 0.0000 H 0 0 0
- 2.3346 3.0699 0.0000 H 0 0 0
- 4.7336 2.7345 0.0000 H 0 0 0
- -2.2346 -1.8384 0.0000 H 0 0 0
- -1.6165 2.4859 0.0000 H 0 0 0
- -3.9990 2.7616 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 8 13 2 0
- 10 14 1 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 15 18 1 0
- 17 19 1 0
- 7 10 1 0
- 16 17 2 0
- 3 20 1 0
- 4 21 1 0
- 7 22 1 0
- 12 23 1 0
- 13 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-354-33-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.6060 0.0000 0.0157 C 0 0 0
- -0.8420 0.0000 0.5098 C 0 0 0
- 1.2603 1.1423 0.4892 F 0 0 0
- 1.2603 -1.1423 0.4893 F 0 0 0
- 0.6213 0.0000 -1.3832 F 0 0 0
- -1.4964 1.1423 0.0362 F 0 0 0
- -1.4964 -1.1423 0.0362 F 0 0 0
- -1.8293 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-49852-85-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -1.2878 0.2480 0.1609 C 0 0 0
- -2.5678 -0.3203 0.0340 C 0 0 0
- -1.1043 1.6198 -0.0877 C 0 0 0
- -0.1566 -0.5920 0.5570 C 0 0 0
- -3.6571 0.4981 -0.3433 C 0 0 0
- -2.7600 -1.6979 0.2825 C 0 0 0
- 0.2390 2.1785 0.0533 C 0 0 0
- -2.2041 2.4145 -0.4617 C 0 0 0
- 1.1040 -0.0323 0.6816 C 0 0 0
- -0.3901 -2.0139 0.8126 C 0 0 0
- -3.4419 1.8732 -0.5860 C 0 0 0
- -4.9272 -0.0788 -0.4665 C 0 0 0
- -1.6283 -2.5350 0.6727 C 0 0 0
- -4.0421 -2.2342 0.1486 C 0 0 0
- 1.3125 1.3342 0.4330 C 0 0 0
- 0.4788 3.5377 -0.1830 C 0 0 0
- 2.2664 -0.9001 1.0901 C 0 0 0
- -5.1011 -1.4245 -0.2215 C 0 0 0
- 2.6019 1.8877 0.5637 C 0 0 0
- 1.7395 4.0380 -0.0467 C 0 0 0
- 3.1158 -1.6555 -0.5140 Br 0 0 0
- 2.7977 3.2128 0.3261 C 0 0 0
- -2.0937 3.4445 0.0000 H 0 0 0
- 0.4234 -2.6553 0.0000 H 0 0 0
- -4.2623 2.5058 0.0000 H 0 0 0
- -5.7603 0.5369 0.0000 H 0 0 0
- -1.7515 -3.5636 0.0000 H 0 0 0
- -4.1746 -3.2616 0.0000 H 0 0 0
- -0.3242 4.1922 0.0000 H 0 0 0
- 3.2399 -0.5460 0.0000 H 0 0 0
- 2.4173 0.1248 0.0000 H 0 0 0
- -6.0574 -1.8229 0.0000 H 0 0 0
- 3.4228 1.2558 0.0000 H 0 0 0
- 1.8864 5.0635 0.0000 H 0 0 0
- 3.7594 3.5979 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 17 21 1 0
- 19 22 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 20 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 22 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67450-45-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 55 1 V2000
- -3.5291 -0.7434 -0.6533 N 0 0 0
- -2.5323 -1.1508 0.3400 C 0 0 1
- -4.6849 -0.0660 -0.2478 C 0 0 0
- -3.3305 -1.0159 -1.9582 C 0 0 0
- -2.5857 -2.6878 0.5245 C 0 0 1
- -1.1109 -0.9244 -0.2320 C 0 0 0
- -4.7782 1.3099 -0.4118 C 0 0 0
- -5.7422 -0.7693 0.3137 C 0 0 0
- -4.0078 -2.2038 -2.5915 C 0 0 0
- -2.6066 -0.3050 -2.6229 O 0 0 0
- -1.1690 -3.0601 1.0085 C 0 0 0
- -3.5635 -3.0220 1.5686 N 0 0 0
- -0.2313 -1.9389 0.5275 C 0 0 0
- -5.9205 1.9762 -0.0105 C 0 0 0
- -6.8820 -0.0990 0.7133 C 0 0 0
- -3.6173 -2.2861 -4.0685 C 0 0 0
- -3.4927 -4.4763 1.7633 C 0 0 0
- -3.0809 -2.4056 2.8117 C 0 0 0
- -6.9713 1.2723 0.5546 C 0 0 0
- -6.0384 3.6961 -0.2142 Cl 0 0 0
- -8.4050 2.1116 1.0584 Cl 0 0 0
- 12.1962 -0.2993 -1.0070 C 0 0 0
- 11.1891 0.5802 -0.8806 C 0 0 0
- 13.2596 -0.3551 0.0147 C 0 0 0
- 11.2619 1.6437 0.1398 C 0 0 0
- 14.5345 -0.5917 -0.3521 O 0 0 0
- 12.9857 -0.1877 1.1860 O 0 0 0
- 10.1983 2.4417 0.3583 O 0 0 0
- 12.2804 1.7998 0.7826 O 0 0 0
- -2.4185 -0.1655 0.0000 H 0 0 0
- -2.5498 -3.6790 0.0000 H 0 0 0
- -0.2546 -0.4240 0.0000 H 0 0 0
- -1.4448 0.0095 0.0000 H 0 0 0
- -3.9354 1.8327 0.0000 H 0 0 0
- -5.7147 -1.7607 0.0000 H 0 0 0
- -4.9155 -1.8042 0.0000 H 0 0 0
- -4.3115 -3.1480 0.0000 H 0 0 0
- -1.5584 -3.9723 0.0000 H 0 0 0
- -0.3235 -3.5785 0.0000 H 0 0 0
- 0.4945 -2.6148 0.0000 H 0 0 0
- 0.4824 -1.2502 0.0000 H 0 0 0
- -7.7265 -0.6192 0.0000 H 0 0 0
- -3.8218 -3.2566 0.0000 H 0 0 0
- -2.6468 -2.4906 0.0000 H 0 0 0
- -3.4128 -1.3156 0.0000 H 0 0 0
- -4.4833 -4.5245 0.0000 H 0 0 0
- -3.4445 -5.4669 0.0000 H 0 0 0
- -2.5021 -4.4281 0.0000 H 0 0 0
- -2.3000 -3.0170 0.0000 H 0 0 0
- -2.4695 -1.6247 0.0000 H 0 0 0
- -3.8618 -1.7942 0.0000 H 0 0 0
- 11.8236 -1.2185 0.0000 H 0 0 0
- 10.2726 0.2010 0.0000 H 0 0 0
- 15.5097 -0.7727 0.0000 H 0 0 0
- 9.4050 3.0369 0.0000 H 0 0 0
- 2 1 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 1 0
- 19 21 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 25 28 1 0
- 25 29 2 0
- 11 13 1 0
- 15 19 2 0
- 2 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 7 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 11 38 1 0
- 11 39 1 0
- 13 40 1 0
- 13 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 16 45 1 0
- 17 46 1 0
- 17 47 1 0
- 17 48 1 0
- 18 49 1 0
- 18 50 1 0
- 18 51 1 0
- 22 52 1 0
- 23 53 1 0
- 26 54 1 0
- 28 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82617-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -1.0676 0.3371 -0.3850 C 0 0 0
- -2.3523 -0.4899 -0.4658 C 0 0 0
- -1.9954 0.2573 0.6989 O 0 0 0
- 0.0582 -0.5419 -0.1241 O 0 0 0
- 1.2990 -0.0315 -0.0119 C 0 0 0
- 2.3440 -0.8474 0.2304 N 0 0 0
- 1.4767 1.1649 -0.1290 O 0 0 0
- -0.7846 1.2903 0.0000 H 0 0 0
- -3.3410 -0.3843 0.0000 H 0 0 0
- -2.1229 -1.4574 0.0000 H 0 0 0
- 2.2059 -1.8321 0.0000 H 0 0 0
- 3.2658 -0.4746 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 5 7 2 0
- 2 3 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 6 11 1 0
- 6 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-149996-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- -0.3202 0.0097 0.2604 N 0 0 0
- -1.7449 0.0231 0.6013 C 0 0 0
- 0.3491 1.1706 0.1160 C 0 0 0
- 0.2950 -1.1132 0.1038 N 0 0 0
- -2.5763 0.0465 -0.6829 C 0 0 0
- 1.5241 1.1596 -0.1651 O 0 0 0
- 1.4796 -1.1243 -0.1796 O 0 0 0
- -2.2245 -0.7671 0.0000 H 0 0 0
- -1.2953 -0.7846 0.0000 H 0 0 0
- -0.1096 1.9732 0.0000 H 0 0 0
- -2.5503 0.9705 0.0000 H 0 0 0
- -3.5003 0.0725 0.0000 H 0 0 0
- -2.6023 -0.8775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115044-41-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.2058 -0.1705 -0.0830 C 0 0 0
- -1.2019 -0.1165 -0.0210 C 0 0 0
- 0.9362 1.0054 -0.0641 C 0 0 0
- 1.1046 -1.2293 -0.1718 N 0 0 0
- -1.8449 1.1450 0.0600 C 0 0 0
- -1.9372 -1.2321 -0.0376 N 0 0 0
- 2.2870 0.6635 -0.1367 N 0 0 0
- 0.2861 2.2424 0.0173 C 0 0 0
- 2.3781 -0.7083 -0.2016 C 0 0 0
- -1.0698 2.3183 0.0765 C 0 0 0
- -3.1799 1.2017 0.1191 N 0 0 0
- -3.2474 -1.1503 0.0211 C 0 0 0
- 3.4123 1.6015 -0.1450 C 0 0 0
- 3.4826 -1.3968 -0.2816 N 0 0 0
- -3.8808 0.0906 0.1016 C 0 0 0
- -4.0747 -2.4098 0.0017 C 0 0 0
- 4.5421 -1.1431 0.6230 O 0 0 0
- 0.8585 -2.2379 0.0000 H 0 0 0
- 0.8476 3.1157 0.0000 H 0 0 0
- -1.5359 3.2460 0.0000 H 0 0 0
- 4.0770 0.8040 0.0000 H 0 0 0
- 4.2098 2.2662 0.0000 H 0 0 0
- 2.7476 2.3990 0.0000 H 0 0 0
- -4.9179 0.1377 0.0000 H 0 0 0
- -4.9425 -1.8398 0.0000 H 0 0 0
- -4.6447 -3.2776 0.0000 H 0 0 0
- -3.2069 -2.9798 0.0000 H 0 0 0
- 5.5518 -0.9013 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 2 0
- 11 15 2 0
- 12 16 1 0
- 14 17 1 0
- 7 9 1 0
- 8 10 2 0
- 12 15 1 0
- 4 18 1 0
- 8 19 1 0
- 10 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
- 15 24 1 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4130-42-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- -2.5061 -0.8460 0.0179 C 0 0 0
- -3.6683 0.1425 -0.0967 C 0 0 0
- -2.5872 -1.5750 1.3606 C 0 0 0
- -2.5884 -1.8642 -1.1211 C 0 0 0
- -1.2005 -0.0985 -0.0698 C 0 0 0
- 0.0006 -0.7876 0.0116 C 0 0 0
- -1.1988 1.2729 -0.2373 C 0 0 0
- 0.0016 -2.1373 0.1707 O 0 0 0
- 1.2011 -0.0966 -0.0700 C 0 0 0
- -0.0014 1.9591 -0.3183 C 0 0 0
- 2.5078 -0.8421 0.0176 C 0 0 0
- 1.1974 1.2751 -0.2321 C 0 0 0
- -0.0025 3.4550 -0.5009 C 0 0 0
- 3.6686 0.1478 -0.0990 C 0 0 0
- 2.5909 -1.5695 1.3611 C 0 0 0
- 2.5907 -1.8616 -1.1202 C 0 0 0
- -0.0061 4.1360 0.8692 C 0 0 0
- -2.9977 0.9309 0.0000 H 0 0 0
- -4.4567 0.8131 0.0000 H 0 0 0
- -4.3389 -0.6459 0.0000 H 0 0 0
- -3.6159 -1.4606 0.0000 H 0 0 0
- -2.7016 -2.6037 0.0000 H 0 0 0
- -1.5585 -1.6894 0.0000 H 0 0 0
- -3.6201 -1.7808 0.0000 H 0 0 0
- -2.6718 -2.8959 0.0000 H 0 0 0
- -1.5567 -1.9476 0.0000 H 0 0 0
- -2.0940 1.7924 0.0000 H 0 0 0
- 0.0024 -3.1724 0.0000 H 0 0 0
- 2.0918 1.7961 0.0000 H 0 0 0
- 0.8951 2.9395 0.0000 H 0 0 0
- 0.8919 3.9759 0.0000 H 0 0 0
- 4.3402 -0.6398 0.0000 H 0 0 0
- 4.4562 0.8194 0.0000 H 0 0 0
- 2.9970 0.9354 0.0000 H 0 0 0
- 1.5625 -1.6870 0.0000 H 0 0 0
- 2.7084 -2.5979 0.0000 H 0 0 0
- 3.6193 -1.4520 0.0000 H 0 0 0
- 1.5590 -1.9455 0.0000 H 0 0 0
- 2.6746 -2.8933 0.0000 H 0 0 0
- 3.6224 -1.7777 0.0000 H 0 0 0
- 1.0289 4.1415 0.0000 H 0 0 0
- -0.0116 5.1711 0.0000 H 0 0 0
- -1.0411 4.1305 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 1 0
- 12 9 2 0
- 13 10 1 0
- 14 11 1 0
- 15 11 1 0
- 16 11 1 0
- 17 13 1 0
- 10 12 1 0
- 2 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 4 26 1 0
- 7 27 1 0
- 8 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 14 33 1 0
- 14 34 1 0
- 15 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 17 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-23-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.1195 0.5107 -0.8746 C 0 0 0
- 0.0000 0.0000 -1.7446 C 0 0 0
- 1.1365 1.8385 -0.4739 C 0 0 0
- 2.1264 -0.3448 -0.4707 C 0 0 0
- -1.1195 -0.5107 -0.8745 C 0 0 0
- 2.1680 2.3062 0.3275 C 0 0 0
- 0.1443 2.6804 -0.8663 O 0 0 0
- 3.1541 0.1235 0.3284 C 0 0 0
- -1.1365 -1.8385 -0.4738 C 0 0 0
- -2.1264 0.3448 -0.4707 C 0 0 0
- 3.1756 1.4492 0.7248 C 0 0 0
- 4.4179 -0.9535 0.8350 Cl 0 0 0
- -2.1680 -2.3062 0.3276 C 0 0 0
- -0.1443 -2.6805 -0.8662 O 0 0 0
- -3.1541 -0.1234 0.3284 C 0 0 0
- -3.1756 -1.4491 0.7249 C 0 0 0
- -4.4179 0.9535 0.8350 Cl 0 0 0
- 0.0946 0.9864 0.0000 H 0 0 0
- -0.8070 0.5751 0.0000 H 0 0 0
- 1.9897 -1.3263 0.0000 H 0 0 0
- 2.3058 3.2875 0.0000 H 0 0 0
- -0.6113 3.3215 0.0000 H 0 0 0
- -1.9897 1.3263 0.0000 H 0 0 0
- 4.0784 1.8577 0.0000 H 0 0 0
- -2.3059 -3.2875 0.0000 H 0 0 0
- 0.6113 -3.3217 0.0000 H 0 0 0
- -4.0784 -1.8576 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 9 14 1 0
- 10 15 2 0
- 13 16 2 0
- 15 17 1 0
- 8 11 1 0
- 15 16 1 0
- 2 18 1 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-869-01-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- -0.5732 -0.2842 -0.2761 N 0 0 0
- 0.7418 -0.2001 -0.9163 C 0 0 0
- -1.2678 0.8404 -0.0131 C 0 0 0
- -1.0686 -1.4350 0.0310 N 0 0 0
- 1.8273 -0.1101 0.1581 C 0 0 0
- -2.3066 1.1899 -0.7975 N 0 0 0
- -0.9576 1.5392 0.9311 O 0 0 0
- -2.1815 -1.5079 0.5206 O 0 0 0
- 3.2006 -0.0223 -0.5105 C 0 0 0
- 4.2861 0.0676 0.5640 C 0 0 0
- 0.3754 -0.9520 0.0000 H 0 0 0
- 1.2141 -0.8904 0.0000 H 0 0 0
- 2.1937 0.6418 0.0000 H 0 0 0
- 1.3550 0.5802 0.0000 H 0 0 0
- -2.4720 2.0098 0.0000 H 0 0 0
- -2.9340 0.6367 0.0000 H 0 0 0
- 2.8341 -0.7742 0.0000 H 0 0 0
- 3.6729 -0.7127 0.0000 H 0 0 0
- 4.3551 -0.7660 0.0000 H 0 0 0
- 5.1197 0.1366 0.0000 H 0 0 0
- 4.2171 0.9012 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 9 10 1 0
- 2 11 1 0
- 2 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 9 17 1 0
- 9 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23702-49-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 28 1 V2000
- 0.8384 -0.1265 0.0365 C 0 0 0
- -0.5819 -0.4538 0.0257 C 0 0 0
- 1.2402 1.2130 0.1483 C 0 0 0
- 1.7764 -1.1754 -0.0609 C 0 0 0
- -1.5192 0.6022 0.0302 C 0 0 0
- -0.9917 -1.7985 0.0039 C 0 0 0
- 0.3048 2.1765 0.3472 O 0 0 0
- 2.5893 1.5023 0.0765 C 0 0 0
- 1.3131 -2.5114 -0.0971 C 0 0 0
- 3.1353 -0.8447 -0.1203 C 0 0 0
- -0.9823 1.9735 -0.0349 C 0 0 0
- -2.8690 0.2968 0.0777 C 0 0 0
- -0.0059 -2.8114 -0.0621 C 0 0 0
- -2.3651 -2.0706 0.0466 C 0 0 0
- 3.5170 0.4780 -0.0625 C 0 0 0
- -1.6726 2.8971 -0.4205 O 0 0 0
- -3.2725 -1.0327 0.0901 C 0 0 0
- 2.9100 2.4973 0.0000 H 0 0 0
- 2.0105 -3.2902 0.0000 H 0 0 0
- 3.8588 -1.5994 0.0000 H 0 0 0
- -3.5811 1.0622 0.0000 H 0 0 0
- -0.3025 -3.8139 0.0000 H 0 0 0
- -2.7023 -3.0602 0.0000 H 0 0 0
- 4.5355 0.7138 0.0000 H 0 0 0
- -4.2946 -1.2526 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 8 15 2 0
- 11 16 2 0
- 12 17 1 0
- 7 11 1 0
- 9 13 2 0
- 10 15 1 0
- 14 17 2 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
- 15 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39965-42-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- 4.8927 0.1577 -0.0368 C 0 0 0
- 3.5357 0.6971 0.0807 N 0 0 0
- 5.0141 -0.6385 -1.3377 C 0 0 0
- 5.9000 1.3093 -0.0478 C 0 0 0
- 5.1812 -0.7609 1.1522 C 0 0 0
- 2.4757 -0.1351 0.0617 C 0 0 0
- 1.1621 0.3920 0.0510 C 0 0 0
- 2.6482 -1.3406 0.0538 O 0 0 0
- 0.0955 -0.4455 0.0319 C 0 0 0
- -1.2187 0.0819 0.0212 C 0 0 0
- -2.3625 -0.6338 0.0022 O 0 0 0
- -1.5582 1.4189 0.0343 C 0 0 0
- -3.4109 0.2010 -0.0030 C 0 0 0
- -2.9601 1.4750 0.0162 C 0 0 0
- -4.8340 -0.2067 -0.0234 N 0 3 0
- -5.7099 0.6396 -0.0264 O 0 0 0
- -5.1287 -1.3884 -0.0371 O 0 5 0
- 3.3906 1.7002 0.0000 H 0 0 0
- 4.0121 -0.7913 0.0000 H 0 0 0
- 5.1669 -1.6405 0.0000 H 0 0 0
- 6.0161 -0.4857 0.0000 H 0 0 0
- 6.6629 0.6420 0.0000 H 0 0 0
- 6.5673 2.0722 0.0000 H 0 0 0
- 5.1371 1.9766 0.0000 H 0 0 0
- 4.2142 -1.0646 0.0000 H 0 0 0
- 5.4849 -1.7279 0.0000 H 0 0 0
- 6.1482 -0.4572 0.0000 H 0 0 0
- 1.0186 1.3953 0.0000 H 0 0 0
- 0.2390 -1.4489 0.0000 H 0 0 0
- -0.9200 2.2063 0.0000 H 0 0 0
- -3.5285 2.3142 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 6 7 1 0
- 6 8 2 0
- 7 9 2 0
- 9 10 1 0
- 10 11 1 0
- 10 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 2 0
- 15 17 1 0
- 13 14 2 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 5 26 1 0
- 5 27 1 0
- 7 28 1 0
- 9 29 1 0
- 12 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-15110-74-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 1.4617 0.4866 -0.0141 C 0 0 0
- 0.0250 0.1152 -0.0029 C 0 0 0
- 1.5821 1.8733 -0.0081 C 0 0 0
- 2.6143 -0.3013 -0.0234 C 0 0 0
- -0.7522 1.2699 0.0102 C 0 0 0
- -0.6015 -1.1325 -0.0042 C 0 0 0
- 0.1878 2.4504 0.0076 C 0 0 0
- 2.8288 2.4625 -0.0164 C 0 0 0
- 3.8570 0.2967 -0.0330 C 0 0 0
- 2.5025 -1.7773 -0.0225 N 0 3 0
- -2.1283 1.1812 0.0223 C 0 0 0
- -1.9784 -1.2117 0.0072 C 0 0 0
- 3.9667 1.6758 -0.0308 C 0 0 0
- 3.0908 -2.4321 0.8194 O 0 0 0
- 1.8223 -2.3371 -0.8636 O 0 5 0
- -2.7425 -0.0585 0.0215 C 0 0 0
- -4.2198 -0.1512 0.0351 N 0 3 0
- -4.7616 -1.2420 0.0344 O 0 0 0
- -4.8935 0.8635 0.0468 O 0 5 0
- -0.0316 -1.9996 0.0000 H 0 0 0
- 0.6722 3.3680 0.0000 H 0 0 0
- -0.6806 3.0183 0.0000 H 0 0 0
- 2.9135 3.4966 0.0000 H 0 0 0
- 4.7129 -0.2899 0.0000 H 0 0 0
- -2.7035 2.0448 0.0000 H 0 0 0
- -2.4428 -2.1395 0.0000 H 0 0 0
- 4.9040 2.1208 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 2 0
- 10 15 1 0
- 11 16 2 0
- 16 17 1 0
- 17 18 2 0
- 17 19 1 0
- 5 7 1 0
- 9 13 1 0
- 12 16 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-144-48-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 2.1151 0.0270 -0.0012 C 0 0 0
- 0.9931 1.0331 0.0018 C 0 0 0
- 3.3960 0.4461 -0.0007 N 0 0 0
- 1.8653 -1.1598 0.0010 O 0 0 0
- -0.9043 -0.0033 -0.0001 I 0 0 0
- 1.7933 1.7442 0.0000 H 0 0 0
- 0.3770 1.9086 0.0000 H 0 0 0
- 4.1930 -0.2686 0.0000 H 0 0 0
- 3.6164 1.4937 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6804-07-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.5884 0.6560 -0.0022 C 0 0 0
- -2.6837 -0.7531 -0.0015 C 0 0 0
- -1.3804 1.2419 -0.0024 N 0 3 0
- -3.7635 1.4256 0.0032 C 0 0 0
- -1.5404 -1.5064 -0.0015 N 0 3 0
- -3.9406 -1.3570 -0.0003 C 0 0 0
- -0.2757 0.4970 -0.0015 C 0 0 0
- -1.2942 2.4568 -0.0030 O 0 5 0
- -4.9767 0.8049 0.0090 C 0 0 0
- -0.3532 -0.8956 -0.0021 C 0 0 0
- -1.6165 -2.9204 -0.0012 O 0 5 0
- -5.0659 -0.5835 0.0001 C 0 0 0
- 1.0441 1.1526 -0.0012 C 0 0 0
- 2.1254 0.4345 -0.0003 N 0 0 0
- 3.3801 1.0578 0.0000 N 0 0 0
- 4.5029 0.3122 0.0009 C 0 0 0
- 4.4186 -1.0320 0.0016 O 0 0 0
- 5.5912 0.8528 0.0011 O 0 0 0
- 5.6282 -1.8352 0.0026 C 0 0 0
- -3.7087 2.4496 0.0000 H 0 0 0
- -4.0196 -2.3794 0.0000 H 0 0 0
- -5.8339 1.3678 0.0000 H 0 0 0
- 0.5071 -1.4538 0.0000 H 0 0 0
- -5.9883 -1.0316 0.0000 H 0 0 0
- 1.1082 2.1761 0.0000 H 0 0 0
- 3.4442 2.0813 0.0000 H 0 0 0
- 5.0609 -2.6895 0.0000 H 0 0 0
- 6.4825 -2.4025 0.0000 H 0 0 0
- 6.1955 -0.9809 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 1 0
- 7 10 1 0
- 9 12 1 0
- 4 20 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 19 27 1 0
- 19 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7327-87-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -4.6956 -0.9834 0.1011 C 0 0 0
- -5.7083 -0.0890 -0.3297 C 0 0 0
- -3.5404 -0.4292 0.6996 C 0 0 0
- -4.8665 -2.3595 -0.0818 C 0 0 0
- -5.4914 1.2942 -0.1304 C 0 0 0
- -6.8673 -0.5946 -0.9273 C 0 0 0
- -3.4554 0.8805 0.8300 N 0 0 0
- -2.5118 -1.2511 1.1436 N 0 0 0
- -6.0065 -2.8199 -0.6727 C 0 0 0
- -4.3699 1.6883 0.4409 N 0 0 0
- -6.4444 2.2230 -0.5304 N 0 0 0
- -7.0054 -1.9423 -1.0864 C 0 0 0
- -1.4008 -0.7040 1.7202 N 0 0 0
- -6.2236 3.5565 -0.3325 N 0 0 0
- 9.0818 -0.0244 -0.1800 S 0 0 0
- 7.9950 0.9355 -0.6424 O 0 0 0
- 10.2023 0.8121 0.4208 O 0 0 0
- 8.5192 -0.7516 0.9035 O 0 0 0
- 9.6199 -0.5974 -1.3638 O 0 0 0
- -4.0835 -2.9612 0.0000 H 0 0 0
- -7.6648 -0.0122 0.0000 H 0 0 0
- -2.6185 -2.2328 0.0000 H 0 0 0
- -6.1721 -3.7934 0.0000 H 0 0 0
- -7.3827 1.9151 0.0000 H 0 0 0
- -7.9246 -2.3030 0.0000 H 0 0 0
- -0.5801 -1.2531 0.0000 H 0 0 0
- -1.3357 0.2813 0.0000 H 0 0 0
- -5.2993 3.9039 0.0000 H 0 0 0
- -6.9866 4.1833 0.0000 H 0 0 0
- 7.2549 1.5892 0.0000 H 0 0 0
- 10.9936 1.4028 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 11 14 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 2 0
- 15 19 2 0
- 7 10 2 0
- 9 12 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64224-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.2784 -0.3190 0.0355 C 0 0 0
- -1.7260 -0.0136 0.0290 C 0 0 0
- 0.7268 0.5929 -0.0485 C 0 0 0
- 0.4475 -1.9540 0.1632 S 0 0 0
- -2.5183 -0.3994 -1.0532 C 0 0 0
- -2.2782 0.6252 1.0575 N 0 0 0
- 2.1014 0.4242 -0.0515 C 0 0 0
- 0.2691 2.0247 -0.1567 C 0 0 0
- 2.4461 -1.3311 0.0852 S 0 0 0
- -3.8094 -0.1242 -1.0537 N 0 0 0
- -3.5694 0.8954 1.0473 C 0 0 0
- 3.2677 1.6724 -0.1639 S 0 0 0
- -4.3512 0.5153 -0.0317 C 0 0 0
- -2.3936 -1.4201 0.0000 H 0 0 0
- 1.2486 2.3378 0.0000 H 0 0 0
- -0.0440 3.0042 0.0000 H 0 0 0
- -0.7104 1.7116 0.0000 H 0 0 0
- -3.6957 1.9159 0.0000 H 0 0 0
- -5.3574 0.7273 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 10 13 2 0
- 7 9 1 0
- 11 13 1 0
- 5 14 1 0
- 8 15 1 0
- 8 16 1 0
- 8 17 1 0
- 11 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-92-87-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.7416 -0.0001 -0.0015 C 0 0 0
- -0.7416 0.0001 -0.0015 C 0 0 0
- 1.4397 1.1346 -0.4115 C 0 0 0
- 1.4397 -1.1333 0.4140 C 0 0 0
- -1.4397 -1.1346 -0.4115 C 0 0 0
- -1.4397 1.1333 0.4140 C 0 0 0
- 2.8187 1.1322 -0.4107 C 0 0 0
- 2.8182 -1.1313 0.4132 C 0 0 0
- -2.8187 -1.1322 -0.4107 C 0 0 0
- -2.8182 1.1313 0.4132 C 0 0 0
- 3.5124 -0.0004 -0.0016 C 0 0 0
- -3.5124 0.0004 -0.0016 C 0 0 0
- 4.9086 -0.0006 -0.0016 N 0 0 0
- -4.9087 0.0006 -0.0016 N 0 0 0
- 0.9530 2.0072 0.0000 H 0 0 0
- 0.9531 -2.0060 0.0000 H 0 0 0
- -0.9530 -2.0072 0.0000 H 0 0 0
- -0.9531 2.0060 0.0000 H 0 0 0
- 3.3078 2.0035 0.0000 H 0 0 0
- 3.3067 -2.0029 0.0000 H 0 0 0
- -3.3078 -2.0035 0.0000 H 0 0 0
- -3.3067 2.0029 0.0000 H 0 0 0
- 5.4081 -0.8660 0.0000 H 0 0 0
- 5.4083 0.8646 0.0000 H 0 0 0
- -5.4082 0.8660 0.0000 H 0 0 0
- -5.4084 -0.8646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 12 14 1 0
- 8 11 1 0
- 10 12 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1694-09-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 93 96 1 V2000
- -0.7754 -2.4487 0.8335 C 0 0 0
- -2.0400 -1.7092 0.8520 C 0 0 0
- 0.3878 -1.8932 0.1376 C 0 0 0
- -0.6723 -3.7411 1.5161 C 0 0 0
- -2.9831 -1.9009 -0.1703 C 0 0 0
- -2.3155 -0.8105 1.8955 C 0 0 0
- 0.3388 -0.5921 -0.3887 C 0 0 0
- 1.5577 -2.6579 -0.0004 C 0 0 0
- -0.2110 -3.8032 2.8407 C 0 0 0
- -1.0402 -4.9212 0.8495 C 0 0 0
- -4.1594 -1.2103 -0.1483 C 0 0 0
- -3.4943 -0.1249 1.9085 C 0 0 0
- 1.4246 -0.0793 -1.0354 C 0 0 0
- 2.6381 -2.1359 -0.6488 C 0 0 0
- -0.1168 -5.0089 3.4719 C 0 0 0
- -0.9424 -6.1217 1.4893 C 0 0 0
- -4.4259 -0.3150 0.8875 C 0 0 0
- 2.5825 -0.8449 -1.1745 C 0 0 0
- -0.4780 -6.1786 2.8036 C 0 0 0
- -5.6228 0.3849 0.9050 N 0 0 0
- 3.6835 -0.3190 -1.8326 N 0 3 0
- -0.3804 -7.4017 3.4497 N 0 0 0
- -5.6260 1.8238 1.1802 C 0 0 0
- -6.8842 -0.3146 0.6483 C 0 0 0
- 4.5438 0.6559 -1.1575 C 0 0 0
- 3.9866 -0.7381 -3.2033 C 0 0 0
- -0.7591 -8.6319 2.7500 C 0 0 0
- 0.1013 -7.4636 4.8318 C 0 0 0
- -6.2161 2.5588 0.0043 C 0 0 0
- -7.4364 -0.8693 1.9630 C 0 0 0
- 5.8828 0.0282 -0.8675 C 0 0 0
- 2.8405 -0.3242 -4.1284 C 0 0 0
- -7.5541 2.9051 0.0066 C 0 0 0
- -5.4177 2.8916 -1.0742 C 0 0 0
- 6.9411 0.2263 -1.7341 C 0 0 0
- 6.0541 -0.7411 0.2684 C 0 0 0
- -8.0955 3.5793 -1.0722 C 0 0 0
- -5.9589 3.5657 -2.1526 C 0 0 0
- 8.1695 -0.3495 -1.4680 C 0 0 0
- 7.2822 -1.3167 0.5344 C 0 0 0
- -7.2987 3.9071 -2.1529 C 0 0 0
- -9.8014 4.0203 -1.0695 S 0 0 0
- 8.3393 -1.1233 -0.3354 C 0 0 0
- 9.5186 -0.0975 -2.5731 S 0 0 0
- -9.8657 5.3107 -0.4781 O 0 0 0
- -10.2897 3.6819 -2.3604 O 0 0 0
- -10.5115 3.0855 -0.1007 O 0 0 0
- 10.1832 1.0704 -2.1109 O 0 0 0
- 10.1208 -1.3731 -2.7445 O 0 0 0
- 8.9334 0.2691 -3.9294 O 0 0 0
- 14.2072 14.7671 7.1258 Na 0 3 0
- -3.1338 -2.8051 0.0000 H 0 0 0
- -1.5974 -0.2408 0.0000 H 0 0 0
- -0.4446 -0.1161 0.0000 H 0 0 0
- 1.4987 -3.5726 0.0000 H 0 0 0
- 0.4550 -3.1734 0.0000 H 0 0 0
- -1.9512 -4.8202 0.0000 H 0 0 0
- -4.8809 -1.7756 0.0000 H 0 0 0
- -3.3458 0.7796 0.0000 H 0 0 0
- 1.4901 0.8350 0.0000 H 0 0 0
- 3.4249 -2.6063 0.0000 H 0 0 0
- 0.7942 -5.1102 0.0000 H 0 0 0
- -1.6036 -6.7566 0.0000 H 0 0 0
- -4.7494 1.5559 0.0000 H 0 0 0
- -5.1119 2.5827 0.0000 H 0 0 0
- -6.9543 0.5994 0.0000 H 0 0 0
- -7.7442 0.0026 0.0000 H 0 0 0
- 5.0098 1.4453 0.0000 H 0 0 0
- 3.8021 1.1946 0.0000 H 0 0 0
- 3.9661 -1.6545 0.0000 H 0 0 0
- 4.8618 -0.4655 0.0000 H 0 0 0
- -1.6352 -8.3622 0.0000 H 0 0 0
- -1.0288 -9.5080 0.0000 H 0 0 0
- 0.1170 -8.9016 0.0000 H 0 0 0
- -0.0155 -8.3728 0.0000 H 0 0 0
- 1.0105 -7.5804 0.0000 H 0 0 0
- 0.2181 -6.5544 0.0000 H 0 0 0
- -8.0860 -0.2226 0.0000 H 0 0 0
- -8.0831 -1.5189 0.0000 H 0 0 0
- -6.7868 -1.5160 0.0000 H 0 0 0
- 3.1518 0.5379 0.0000 H 0 0 0
- 1.9784 -0.0129 0.0000 H 0 0 0
- 2.5292 -1.1863 0.0000 H 0 0 0
- -8.0516 2.1352 0.0000 H 0 0 0
- -4.5295 2.6651 0.0000 H 0 0 0
- 7.0569 1.1356 0.0000 H 0 0 0
- 5.3389 -1.3145 0.0000 H 0 0 0
- -5.4628 4.3365 0.0000 H 0 0 0
- 7.1646 -2.2258 0.0000 H 0 0 0
- -7.3632 4.8215 0.0000 H 0 0 0
- 9.1025 -1.6309 0.0000 H 0 0 0
- -11.0660 2.3556 0.0000 H 0 0 0
- 8.1566 0.7557 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 13 18 1 0
- 15 19 2 0
- 17 20 1 0
- 18 21 2 0
- 19 22 1 0
- 20 23 1 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 22 27 1 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 26 32 1 0
- 29 33 2 0
- 29 34 1 0
- 31 35 2 0
- 31 36 1 0
- 33 37 1 0
- 34 38 2 0
- 35 39 1 0
- 36 40 2 0
- 37 41 2 0
- 37 42 1 0
- 39 43 2 0
- 39 44 1 0
- 42 45 2 0
- 42 46 2 0
- 42 47 1 0
- 44 48 2 0
- 44 49 2 0
- 44 50 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 38 41 1 0
- 40 43 1 0
- 5 52 1 0
- 6 53 1 0
- 7 54 1 0
- 8 55 1 0
- 9 56 1 0
- 10 57 1 0
- 11 58 1 0
- 12 59 1 0
- 13 60 1 0
- 14 61 1 0
- 15 62 1 0
- 16 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
- 25 69 1 0
- 26 70 1 0
- 26 71 1 0
- 27 72 1 0
- 27 73 1 0
- 27 74 1 0
- 28 75 1 0
- 28 76 1 0
- 28 77 1 0
- 30 78 1 0
- 30 79 1 0
- 30 80 1 0
- 32 81 1 0
- 32 82 1 0
- 32 83 1 0
- 33 84 1 0
- 34 85 1 0
- 35 86 1 0
- 36 87 1 0
- 38 88 1 0
- 40 89 1 0
- 41 90 1 0
- 43 91 1 0
- 47 92 1 0
- 50 93 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-634-67-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.7461 -1.9413 0.0023 Cl 0 0 0
- -0.2609 -0.2744 0.0032 C 0 0 0
- 1.0821 0.0545 0.0008 C 0 0 0
- -1.2194 0.7256 0.0007 C 0 0 0
- 2.2838 -1.1983 -0.0022 Cl 0 0 0
- 1.4687 1.3896 0.0011 C 0 0 0
- -2.9050 0.3102 -0.0028 Cl 0 0 0
- -0.8359 2.0546 0.0006 C 0 0 0
- 2.8258 1.7257 -0.0019 N 0 0 0
- 0.5048 2.3888 0.0039 C 0 0 0
- -1.5590 2.8047 0.0000 H 0 0 0
- 3.5484 0.9751 0.0000 H 0 0 0
- 3.1145 2.7267 0.0000 H 0 0 0
- 0.7923 3.3902 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 6 1 0
- 10 6 2 0
- 8 10 1 0
- 8 11 1 0
- 9 12 1 0
- 9 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-15-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 36 1 V2000
- -0.9482 0.0004 -0.0108 C 0 0 0
- -0.2574 -1.1971 -0.0023 C 0 0 0
- -0.2568 1.1972 -0.0016 C 0 0 0
- -2.4550 0.0010 -0.0364 C 0 0 0
- 1.1246 -1.1976 0.0154 C 0 0 0
- -0.9979 -2.4788 -0.0126 N 0 3 0
- 1.1257 1.1967 0.0161 C 0 0 0
- -0.9964 2.4793 -0.0112 N 0 3 0
- -2.9894 0.0050 1.3972 C 0 0 0
- -2.9522 1.2485 -0.7695 C 0 0 0
- -2.9531 -1.2500 -0.7629 C 0 0 0
- 1.8163 -0.0005 0.0250 C 0 0 0
- 1.8776 -2.5030 0.0247 C 0 0 0
- -1.0414 -3.1488 -1.0288 O 0 0 0
- -1.5636 -2.8633 0.9952 O 0 5 0
- 1.8796 2.5015 0.0261 C 0 0 0
- -1.5750 2.8561 0.9922 O 0 0 0
- -1.0263 3.1575 -1.0224 O 0 5 0
- 3.2963 -0.0010 0.0444 N 0 3 0
- 3.9191 -0.0008 -1.0023 O 0 0 0
- 3.8914 -0.0017 1.1072 O 0 5 0
- -2.9816 1.0416 0.0000 H 0 0 0
- -4.0259 0.0128 0.0000 H 0 0 0
- -2.9972 -1.0316 0.0000 H 0 0 0
- -1.9893 1.6323 0.0000 H 0 0 0
- -3.3360 2.2114 0.0000 H 0 0 0
- -3.9151 0.8647 0.0000 H 0 0 0
- -3.9161 -0.8666 0.0000 H 0 0 0
- -3.3365 -2.2130 0.0000 H 0 0 0
- -1.9901 -1.6334 0.0000 H 0 0 0
- 0.9797 -3.0209 0.0000 H 0 0 0
- 2.3955 -3.4009 0.0000 H 0 0 0
- 2.7755 -1.9851 0.0000 H 0 0 0
- 2.7771 1.9829 0.0000 H 0 0 0
- 2.3982 3.3990 0.0000 H 0 0 0
- 0.9821 3.0201 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 2 0
- 6 15 1 0
- 7 16 1 0
- 8 17 2 0
- 8 18 1 0
- 12 19 1 0
- 19 20 2 0
- 19 21 1 0
- 7 12 2 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10595-95-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.0834 -0.2422 0.1981 N 0 0 0
- -1.4427 0.0976 0.6260 C 0 0 0
- 0.8259 0.6716 0.1526 N 0 0 0
- 0.2447 -1.6211 -0.1723 C 0 0 0
- -2.2741 0.5043 -0.5923 C 0 0 0
- 1.9560 0.3891 -0.2031 O 0 0 0
- -2.2052 -0.4969 0.0000 H 0 0 0
- -1.2424 -0.8483 0.0000 H 0 0 0
- -0.6959 -1.8449 0.0000 H 0 0 0
- 0.4685 -2.5617 0.0000 H 0 0 0
- 1.1853 -1.3973 0.0000 H 0 0 0
- -1.8493 1.3728 0.0000 H 0 0 0
- -3.1426 0.9291 0.0000 H 0 0 0
- -2.6989 -0.3642 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 2 7 1 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-69533-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.7414 -0.2712 0.0001 C 0 0 0
- -0.7414 -0.2711 0.0012 C 0 0 0
- 1.4169 0.9332 0.1946 C 0 0 0
- 1.4557 -1.4480 -0.1967 C 0 0 0
- -1.4169 0.9330 -0.1945 C 0 0 0
- -1.4557 -1.4486 0.1941 C 0 0 0
- 2.7969 0.9508 0.1891 C 0 0 0
- 0.6393 2.2020 0.4161 C 0 0 0
- 2.8364 -1.4183 -0.1969 C 0 0 0
- -2.7968 0.9507 -0.1892 C 0 0 0
- -0.6392 2.2017 -0.4172 C 0 0 0
- -2.8365 -1.4188 0.1949 C 0 0 0
- 3.5041 -0.2222 -0.0037 C 0 0 0
- -3.5041 -0.2221 0.0048 C 0 0 0
- 4.9841 -0.1967 -0.0083 N 0 3 0
- -4.9841 -0.1966 0.0092 N 0 3 0
- 5.6104 -1.2275 -0.1777 O 0 0 0
- 5.5756 0.8550 0.1574 O 0 5 0
- -5.6105 -1.2272 0.1797 O 0 0 0
- -5.5755 0.8550 -0.1577 O 0 5 0
- 0.9583 -2.3545 0.0000 H 0 0 0
- -0.9582 -2.3550 0.0000 H 0 0 0
- 3.2996 1.8543 0.0000 H 0 0 0
- 1.6045 2.5726 0.0000 H 0 0 0
- 0.4507 3.2186 0.0000 H 0 0 0
- 3.3694 -2.3043 0.0000 H 0 0 0
- -3.2994 1.8543 0.0000 H 0 0 0
- -0.4509 3.2184 0.0000 H 0 0 0
- -1.6045 2.5723 0.0000 H 0 0 0
- -3.3697 -2.3047 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 10 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 11 1 0
- 9 13 1 0
- 12 14 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 8 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 11 29 1 0
- 12 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-38246-95-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.0535 -0.4442 0.0026 C 0 0 0
- -0.2846 -1.5983 0.0010 C 0 0 0
- -0.4391 0.7995 0.0031 C 0 0 0
- -2.4106 -0.5318 -0.0018 O 0 0 0
- 1.0939 -1.5103 -0.0003 C 0 0 0
- 0.9389 0.8894 0.0018 C 0 0 0
- -2.9109 0.8068 0.0014 C 0 0 0
- 1.7097 -0.2659 0.0000 C 0 0 0
- -4.4407 0.7795 -0.0034 C 0 0 0
- 3.1062 -0.1758 -0.0017 N 0 0 0
- 3.7337 1.0935 -0.0013 O 0 0 0
- -0.7466 -2.5315 0.0000 H 0 0 0
- -1.0172 1.6656 0.0000 H 0 0 0
- 1.6711 -2.3770 0.0000 H 0 0 0
- 1.3999 1.8231 0.0000 H 0 0 0
- -1.9005 1.0588 0.0000 H 0 0 0
- -3.0470 1.8392 0.0000 H 0 0 0
- -4.4593 1.8207 0.0000 H 0 0 0
- -5.4819 0.7609 0.0000 H 0 0 0
- -4.4221 -0.2617 0.0000 H 0 0 0
- 3.6839 -1.0422 0.0000 H 0 0 0
- 4.1952 2.0270 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 10 11 1 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57011-48-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.0383 0.0355 -0.1796 C 0 0 0
- -1.1548 0.8342 0.3491 C 0 0 0
- 1.2406 0.2436 0.7435 C 0 0 0
- -0.2976 -1.3529 -0.2186 O 0 0 0
- -2.3060 0.6350 -0.5348 N 0 0 0
- 2.3830 -0.5212 0.2373 N 0 0 0
- -3.2545 0.1881 -0.1301 N 0 3 0
- 3.3324 0.0088 -0.0476 N 0 3 0
- -4.2031 -0.2589 0.2747 N 0 5 0
- 4.2817 0.5389 -0.3325 N 0 5 0
- 0.2203 0.8926 0.0000 H 0 0 0
- -0.4909 1.4060 0.0000 H 0 0 0
- -1.5290 1.6265 0.0000 H 0 0 0
- 1.9045 0.8154 0.0000 H 0 0 0
- 0.8664 1.0359 0.0000 H 0 0 0
- -0.5036 -2.2046 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 5 2 0
- 8 6 2 0
- 9 7 2 0
- 10 8 2 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-367-25-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.7849 0.6570 0.0020 C 0 0 0
- -1.1412 -0.6870 0.0005 C 0 0 0
- 0.5505 1.0165 0.0020 C 0 0 0
- -1.7420 1.6105 -0.0020 F 0 0 0
- -0.1553 -1.6640 -0.0012 C 0 0 0
- -2.4921 -1.0542 0.0010 N 0 0 0
- 1.5311 0.0390 0.0003 C 0 0 0
- 1.1775 -1.2997 -0.0012 C 0 0 0
- 2.8352 0.3920 -0.0002 F 0 0 0
- 0.8179 2.0199 0.0000 H 0 0 0
- -0.4193 -2.6683 0.0000 H 0 0 0
- -3.2290 -0.3226 0.0000 H 0 0 0
- -2.7572 -2.0582 0.0000 H 0 0 0
- 1.9149 -2.0308 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-88193-04-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- 0.7315 -0.5256 0.0016 C 0 0 0
- -0.7318 -0.5258 0.0012 C 0 0 0
- 1.7472 0.5209 0.0008 C 0 0 0
- 1.1327 -1.8645 -0.0036 C 0 0 0
- -1.7474 0.5208 0.0002 C 0 0 0
- -1.1334 -1.8646 0.0024 C 0 0 0
- 3.1123 0.1442 0.0017 C 0 0 0
- 1.4056 1.8780 -0.0013 C 0 0 0
- -0.0004 -2.6528 -0.0071 N 0 0 0
- 2.4985 -2.1823 -0.0040 C 0 0 0
- -3.1126 0.1446 0.0005 C 0 0 0
- -1.4047 1.8777 0.0001 C 0 0 0
- -2.4992 -2.1820 0.0026 C 0 0 0
- 3.4543 -1.2219 0.0029 C 0 0 0
- 4.0994 1.1425 0.0010 C 0 0 0
- 2.3897 2.8220 -0.0024 C 0 0 0
- -3.4549 -1.2214 0.0012 C 0 0 0
- -4.0990 1.1436 -0.0004 C 0 0 0
- -2.3882 2.8223 0.0002 C 0 0 0
- 4.9071 -1.6223 0.0039 C 0 0 0
- 3.7323 2.4545 -0.0006 C 0 0 0
- -4.9078 -1.6214 0.0015 C 0 0 0
- -3.7310 2.4553 -0.0015 C 0 0 0
- 0.3968 2.1679 0.0000 H 0 0 0
- -0.0004 -3.7024 0.0000 H 0 0 0
- 2.7882 -3.1912 0.0000 H 0 0 0
- -0.3957 2.1669 0.0000 H 0 0 0
- -2.7891 -3.1908 0.0000 H 0 0 0
- 5.1155 0.8793 0.0000 H 0 0 0
- 2.1313 3.8393 0.0000 H 0 0 0
- -5.1153 0.8811 0.0000 H 0 0 0
- -2.1293 3.8395 0.0000 H 0 0 0
- 4.6282 -2.6342 0.0000 H 0 0 0
- 5.9190 -1.9012 0.0000 H 0 0 0
- 5.1860 -0.6104 0.0000 H 0 0 0
- 4.4724 3.1988 0.0000 H 0 0 0
- -5.1864 -0.6094 0.0000 H 0 0 0
- -5.9198 -1.9000 0.0000 H 0 0 0
- -4.6292 -2.6334 0.0000 H 0 0 0
- -4.4707 3.2000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 1 0
- 11 18 1 0
- 12 19 2 0
- 14 20 1 0
- 15 21 2 0
- 17 22 1 0
- 18 23 2 0
- 6 9 1 0
- 10 14 2 0
- 13 17 2 0
- 16 21 1 0
- 19 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1210-35-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- -1.2905 0.5367 0.0818 C 0 0 0
- -1.6244 -0.7608 0.3957 C 0 0 0
- 0.0104 1.0362 0.5649 C 0 0 0
- -2.1529 1.3457 -0.6574 C 0 0 0
- -0.6753 -1.6164 1.1758 C 0 0 0
- -2.8429 -1.2728 -0.0182 C 0 0 0
- 1.2795 0.4295 0.1267 C 0 0 0
- 0.0362 1.9703 1.3422 O 0 0 0
- -3.3658 0.8272 -1.0701 C 0 0 0
- 0.5273 -2.0435 0.3790 C 0 0 0
- -3.7066 -0.4753 -0.7488 C 0 0 0
- 1.4849 -0.9351 0.0216 C 0 0 0
- 2.3153 1.3242 -0.1972 C 0 0 0
- 2.7260 -1.3810 -0.4403 C 0 0 0
- 3.5329 0.8619 -0.6375 C 0 0 0
- 3.7339 -0.5015 -0.7642 C 0 0 0
- -1.9795 2.3278 0.0000 H 0 0 0
- -1.5757 -2.0451 0.0000 H 0 0 0
- -0.6239 -2.6123 0.0000 H 0 0 0
- -3.0154 -2.2550 0.0000 H 0 0 0
- -4.1212 1.4783 0.0000 H 0 0 0
- 0.0801 -2.9349 0.0000 H 0 0 0
- 1.3566 -2.5973 0.0000 H 0 0 0
- -4.6637 -0.7554 0.0000 H 0 0 0
- 2.1419 2.3063 0.0000 H 0 0 0
- 2.9107 -2.3610 0.0000 H 0 0 0
- 4.3101 1.4868 0.0000 H 0 0 0
- 4.6695 -0.8467 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 9 11 1 0
- 10 12 1 0
- 15 16 2 0
- 4 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-63-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.7261 0.7740 0.0018 C 0 0 0
- -1.1264 -0.5489 0.0005 C 0 0 0
- 0.6201 1.0889 0.0016 C 0 0 0
- -1.7571 1.8731 -0.0029 C 0 0 0
- -0.1805 -1.5573 -0.0010 C 0 0 0
- -2.5938 -0.8922 0.0013 C 0 0 0
- 1.5656 0.0808 0.0001 C 0 0 0
- 1.1653 -1.2425 -0.0017 C 0 0 0
- 3.0330 0.4241 0.0003 C 0 0 0
- 0.9204 2.0814 0.0000 H 0 0 0
- -1.0008 2.5825 0.0000 H 0 0 0
- -2.4665 2.6294 0.0000 H 0 0 0
- -2.5134 1.1637 0.0000 H 0 0 0
- -0.4808 -2.5498 0.0000 H 0 0 0
- -2.8300 0.1174 0.0000 H 0 0 0
- -3.6034 -1.1284 0.0000 H 0 0 0
- -2.3576 -1.9018 0.0000 H 0 0 0
- 1.8747 -1.9988 0.0000 H 0 0 0
- 3.2692 -0.5855 0.0000 H 0 0 0
- 4.0426 0.6603 0.0000 H 0 0 0
- 2.7968 1.4337 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3077-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -0.2581 0.0087 -0.0025 C 0 0 0
- -1.6589 -0.4517 -0.0013 C 0 0 0
- -0.3003 1.4111 -0.0001 C 0 0 0
- 0.9678 -0.6517 -0.0004 C 0 0 0
- -2.4569 0.7019 0.0018 C 0 0 0
- -2.2541 -1.7111 -0.0033 C 0 0 0
- -1.6256 1.8077 0.0025 N 0 0 0
- 0.8917 2.1287 -0.0006 C 0 0 0
- 2.1382 0.0766 -0.0019 C 0 0 0
- -3.8426 0.5721 0.0032 C 0 0 0
- -3.6279 -1.8192 -0.0022 C 0 0 0
- 2.0984 1.4622 -0.0034 C 0 0 0
- 3.4424 -0.6235 0.0009 N 0 3 0
- -4.4182 -0.6800 0.0015 C 0 0 0
- 4.4779 0.0177 -0.0005 O 0 0 0
- 3.4800 -1.8410 0.0045 O 0 5 0
- 1.0003 -1.6909 0.0000 H 0 0 0
- -1.6637 -2.5669 0.0000 H 0 0 0
- -1.9504 2.7954 0.0000 H 0 0 0
- 0.8723 3.1683 0.0000 H 0 0 0
- -4.4439 1.4203 0.0000 H 0 0 0
- -4.0735 -2.7586 0.0000 H 0 0 0
- 2.9862 2.0034 0.0000 H 0 0 0
- -5.4539 -0.7712 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 14 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-501-53-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.1257 0.9886 0.4007 C 0 0 0
- -0.8773 0.0193 -0.0027 O 0 0 0
- 1.4999 0.4100 0.1824 C 0 0 0
- -2.1822 0.3192 0.1037 C 0 0 0
- 2.3866 1.0382 -0.6717 C 0 0 0
- 1.8757 -0.7463 0.8407 C 0 0 0
- -3.3813 -0.8397 -0.3786 Cl 0 0 0
- -2.5226 1.3995 0.5367 O 0 0 0
- 3.6473 0.5073 -0.8720 C 0 0 0
- 3.1361 -1.2770 0.6405 C 0 0 0
- 4.0210 -0.6517 -0.2183 C 0 0 0
- 0.6361 1.8534 0.0000 H 0 0 0
- -0.6628 1.6105 0.0000 H 0 0 0
- 2.2775 2.0364 0.0000 H 0 0 0
- 1.1363 -1.4258 0.0000 H 0 0 0
- 4.3875 1.1859 0.0000 H 0 0 0
- 3.2447 -2.2753 0.0000 H 0 0 0
- 4.9736 -0.9694 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 6 2 0
- 11 9 2 0
- 10 11 1 0
- 1 12 1 0
- 1 13 1 0
- 5 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-131-92-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 82 1 V2000
- 1.8688 0.9497 0.0783 C 0 0 0
- 1.6766 -0.4450 0.1582 C 0 0 0
- 3.1685 1.4684 0.1313 C 0 0 0
- 0.6362 1.5513 -0.0503 N 0 0 0
- 0.2213 -0.6668 0.0740 C 0 0 0
- 2.7629 -1.3003 0.2887 C 0 0 0
- 4.2651 0.5955 0.2634 C 0 0 0
- 3.3879 2.9229 0.0486 C 0 0 0
- -0.3650 0.6061 -0.0589 C 0 0 0
- -0.5731 -1.8093 0.0955 C 0 0 0
- 4.0546 -0.7882 0.3417 C 0 0 0
- 5.6348 1.1354 0.3191 C 0 0 0
- 4.7614 3.4655 0.1041 C 0 0 0
- 2.4401 3.6758 -0.0655 O 0 0 0
- -1.7587 0.7089 -0.1659 C 0 0 0
- -1.9461 -1.7049 -0.0052 C 0 0 0
- 5.1392 -1.6499 0.4725 N 0 0 0
- 5.8567 2.5939 0.2363 C 0 0 0
- 6.5817 0.3814 0.4334 O 0 0 0
- 4.9787 4.8384 0.0265 C 0 0 0
- -2.5478 -0.4546 -0.1448 C 0 0 0
- -2.3943 2.0317 -0.2995 C 0 0 0
- 5.3075 -2.6593 -0.4045 C 0 0 0
- 7.1478 3.1119 0.2881 C 0 0 0
- 6.2683 5.3363 0.0794 C 0 0 0
- -4.0181 -0.3514 -0.2573 C 0 0 0
- -3.8644 2.1348 -0.4118 C 0 0 0
- -1.7106 3.0367 -0.3168 O 0 0 0
- 6.3834 -3.6504 -0.1931 C 0 0 0
- 4.5744 -2.7546 -1.3695 O 0 0 0
- 7.3458 4.4789 0.2102 C 0 0 0
- -4.6544 0.9703 -0.3913 C 0 0 0
- -4.7016 -1.3567 -0.2398 O 0 0 0
- -4.4727 3.3788 -0.5385 C 0 0 0
- 6.5605 -4.6970 -1.0995 C 0 0 0
- 7.2309 -3.5405 0.9110 C 0 0 0
- -6.0461 1.0772 -0.4992 C 0 0 0
- -5.8518 3.4706 -0.6441 C 0 0 0
- 7.5671 -5.6184 -0.8964 C 0 0 0
- 8.2332 -4.4685 1.1022 C 0 0 0
- -6.6338 2.3347 -0.6262 C 0 0 0
- -6.8379 -0.0650 -0.4803 N 0 0 0
- 8.3999 -5.5068 0.2025 C 0 0 0
- -7.8445 -0.1726 0.4094 C 0 0 0
- -8.7653 -1.3271 0.3476 C 0 0 0
- -7.9951 0.6799 1.2627 O 0 0 0
- -9.8091 -1.4415 1.2677 C 0 0 0
- -8.5987 -2.3047 -0.6346 C 0 0 0
- -10.6650 -2.5212 1.2041 C 0 0 0
- -9.4620 -3.3797 -0.6870 C 0 0 0
- -10.4911 -3.4897 0.2311 C 0 0 0
- 0.4797 2.5780 0.0000 H 0 0 0
- 2.6131 -2.3280 0.0000 H 0 0 0
- -0.1273 -2.7473 0.0000 H 0 0 0
- -2.5317 -2.5626 0.0000 H 0 0 0
- 6.0341 -1.1228 0.0000 H 0 0 0
- 4.1709 5.4912 0.0000 H 0 0 0
- 7.9641 2.4698 0.0000 H 0 0 0
- 6.4254 6.3629 0.0000 H 0 0 0
- 8.3113 4.8616 0.0000 H 0 0 0
- -3.8938 4.2411 0.0000 H 0 0 0
- 5.6484 -5.1936 0.0000 H 0 0 0
- 7.5467 -2.5511 0.0000 H 0 0 0
- -6.3042 4.4055 0.0000 H 0 0 0
- 7.2562 -6.6093 0.0000 H 0 0 0
- 9.1488 -3.9783 0.0000 H 0 0 0
- -7.6688 2.4207 0.0000 H 0 0 0
- -6.3079 -0.9582 0.0000 H 0 0 0
- 9.2334 -6.1264 0.0000 H 0 0 0
- -10.3114 -0.5325 0.0000 H 0 0 0
- -7.5934 -2.5656 0.0000 H 0 0 0
- -11.6722 -2.2680 0.0000 H 0 0 0
- -8.9638 -4.2910 0.0000 H 0 0 0
- -11.1141 -4.3207 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 2 0
- 11 17 1 0
- 12 18 1 0
- 12 19 2 0
- 13 20 1 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 18 24 1 0
- 20 25 2 0
- 21 26 1 0
- 22 27 1 0
- 22 28 2 0
- 23 29 1 0
- 23 30 2 0
- 24 31 2 0
- 26 32 1 0
- 26 33 2 0
- 27 34 1 0
- 29 35 2 0
- 29 36 1 0
- 32 37 1 0
- 34 38 2 0
- 35 39 1 0
- 36 40 2 0
- 37 41 2 0
- 37 42 1 0
- 39 43 2 0
- 42 44 1 0
- 44 45 1 0
- 44 46 2 0
- 45 47 1 0
- 45 48 2 0
- 47 49 2 0
- 48 50 1 0
- 49 51 1 0
- 5 9 2 0
- 7 11 1 0
- 13 18 2 0
- 16 21 1 0
- 25 31 1 0
- 27 32 2 0
- 38 41 1 0
- 40 43 1 0
- 50 51 2 0
- 4 52 1 0
- 6 53 1 0
- 10 54 1 0
- 16 55 1 0
- 17 56 1 0
- 20 57 1 0
- 24 58 1 0
- 25 59 1 0
- 31 60 1 0
- 34 61 1 0
- 35 62 1 0
- 36 63 1 0
- 38 64 1 0
- 39 65 1 0
- 40 66 1 0
- 41 67 1 0
- 42 68 1 0
- 43 69 1 0
- 47 70 1 0
- 48 71 1 0
- 49 72 1 0
- 50 73 1 0
- 51 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-30517-66-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2297 -0.1130 -0.0994 C 0 0 0
- -1.5995 -0.0673 0.1432 C 0 0 0
- 0.4749 1.1013 -0.1328 C 0 0 0
- 0.3428 -1.3024 -0.3160 O 0 0 0
- -2.6212 -1.1743 0.2811 C 0 0 0
- -2.2659 1.1368 0.3034 C 0 0 0
- 1.9398 1.0494 -0.3099 C 0 0 0
- -0.1909 2.3227 0.0142 C 0 0 0
- 1.6559 -1.3940 -0.0804 C 0 0 0
- -3.8467 -0.4231 0.8771 C 0 0 0
- -3.1320 -1.5613 -1.1295 C 0 0 0
- -3.5963 0.9423 0.5049 O 0 0 0
- -1.5533 2.3378 0.2359 C 0 0 0
- 2.5218 -0.2912 -0.0793 C 0 0 0
- 2.6074 2.0204 -0.6179 O 0 0 0
- 0.4999 3.4881 -0.0604 O 0 0 0
- 2.2003 -2.6546 0.1780 C 0 0 0
- -5.0026 -0.8699 0.1553 O 0 0 0
- -4.6272 -1.8402 -0.8336 C 0 0 0
- 3.8933 -0.4487 0.1388 C 0 0 0
- 3.5502 -2.8033 0.4081 C 0 0 0
- 4.4030 -1.7133 0.3859 C 0 0 0
- 4.7188 0.6276 0.1083 O 0 0 0
- -1.9291 -1.9370 0.0000 H 0 0 0
- -3.9398 -1.4487 0.0000 H 0 0 0
- -3.3210 -2.5737 0.0000 H 0 0 0
- -2.2559 -2.1026 0.0000 H 0 0 0
- -2.0579 3.2355 0.0000 H 0 0 0
- 1.0250 4.3740 0.0000 H 0 0 0
- 1.5882 -3.4828 0.0000 H 0 0 0
- -5.6087 -2.1520 0.0000 H 0 0 0
- -4.3764 -2.8390 0.0000 H 0 0 0
- 3.9499 -3.7524 0.0000 H 0 0 0
- 5.4227 -1.8574 0.0000 H 0 0 0
- 5.3456 1.4448 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 14 20 1 0
- 17 21 2 0
- 20 22 2 0
- 20 23 1 0
- 8 13 2 0
- 9 14 2 0
- 10 12 1 0
- 18 19 1 0
- 21 22 1 0
- 5 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 13 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 19 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89911-79-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.5939 -0.7151 -0.6504 N 0 0 0
- -0.7462 -0.4737 -1.1909 C 0 0 0
- 1.6956 0.1876 -0.9935 C 0 0 0
- 0.8027 -1.7194 0.1318 N 0 0 0
- -1.6538 0.0637 -0.0826 C 0 0 0
- 2.1618 0.9241 0.2639 C 0 0 0
- 1.9169 -1.9200 0.5811 O 0 0 0
- -2.9910 0.4994 -0.6850 C 0 0 0
- -1.8797 -0.9614 0.8871 O 0 0 0
- 3.4438 1.6999 -0.0453 C 0 0 0
- 1.1448 1.8342 0.6875 O 0 0 0
- -3.8388 1.0013 0.3501 O 0 0 0
- -1.4316 -0.9749 0.0000 H 0 0 0
- -0.5555 -1.3011 0.0000 H 0 0 0
- 1.9217 -0.6308 0.0000 H 0 0 0
- 2.5355 0.0629 0.0000 H 0 0 0
- -1.3039 0.8373 0.0000 H 0 0 0
- 2.7561 0.3177 0.0000 H 0 0 0
- -3.6985 0.0299 0.0000 H 0 0 0
- -2.8764 -0.3419 0.0000 H 0 0 0
- -2.0624 -1.7906 0.0000 H 0 0 0
- 3.8834 0.9735 0.0000 H 0 0 0
- 4.1702 2.1395 0.0000 H 0 0 0
- 3.0042 2.4263 0.0000 H 0 0 0
- 0.5121 2.4004 0.0000 H 0 0 0
- -4.5694 1.4338 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 8 12 1 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16045-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.4477 -0.0505 0.3892 C 0 0 0
- -0.5853 -0.9589 -0.2807 C 0 0 0
- 1.8349 -0.5254 0.0412 C 0 0 0
- 0.2278 1.6415 -0.1936 Cl 0 0 0
- -1.9726 -0.4841 0.0673 C 0 0 0
- 2.6789 -0.9029 1.0143 O 0 0 0
- 2.1875 -0.5662 -1.1138 O 0 0 0
- -3.0445 -1.1341 -0.4124 O 0 0 0
- -2.1199 0.4818 0.7781 O 0 0 0
- -0.4750 0.2969 0.0000 H 0 0 0
- -1.0606 -1.8227 0.0000 H 0 0 0
- 0.1837 -1.5760 0.0000 H 0 0 0
- 3.5789 -1.3055 0.0000 H 0 0 0
- -3.8876 -1.6453 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 5 9 2 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 6 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2835-95-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.7452 0.6979 0.0019 C 0 0 0
- -1.0987 -0.6440 0.0004 C 0 0 0
- 0.5925 1.0614 0.0018 C 0 0 0
- -1.7098 1.6551 -0.0023 O 0 0 0
- -0.1189 -1.6189 -0.0011 C 0 0 0
- -2.5530 -1.0390 0.0010 C 0 0 0
- 1.5752 0.0813 0.0003 C 0 0 0
- 1.2151 -1.2610 -0.0012 C 0 0 0
- 2.9241 0.4435 -0.0002 N 0 0 0
- 0.8594 2.0673 0.0000 H 0 0 0
- -2.4486 2.3882 0.0000 H 0 0 0
- -0.3868 -2.6246 0.0000 H 0 0 0
- -2.8258 -0.0346 0.0000 H 0 0 0
- -3.5574 -1.3118 0.0000 H 0 0 0
- -2.2802 -2.0434 0.0000 H 0 0 0
- 1.9510 -1.9969 0.0000 H 0 0 0
- 3.6604 -0.2920 0.0000 H 0 0 0
- 3.1929 1.4489 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-591-12-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 1.1520 -0.0774 -0.0019 C 0 0 0
- 0.0367 -0.8305 -0.0013 O 0 0 0
- 0.9042 1.2137 -0.0007 C 0 0 0
- 2.5438 -0.6554 0.0022 C 0 0 0
- -1.0813 -0.0869 0.0004 C 0 0 0
- -0.6057 1.3539 0.0009 C 0 0 0
- -2.2234 -0.4814 0.0007 O 0 0 0
- 1.5824 1.9612 0.0000 H 0 0 0
- 2.1567 -1.5875 0.0000 H 0 0 0
- 3.4759 -1.0425 0.0000 H 0 0 0
- 2.9309 0.2767 0.0000 H 0 0 0
- -0.4369 2.3490 0.0000 H 0 0 0
- -1.5853 1.5972 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 5 6 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-128714-76-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.1327 0.5709 -0.0014 C 0 0 0
- -1.2410 0.8729 0.0130 C 0 0 0
- 1.0802 1.6226 0.0234 C 0 0 0
- 0.5526 -0.7790 -0.0346 C 0 0 0
- -2.1934 -0.1740 -0.0117 C 0 0 0
- -1.6683 2.2184 0.0525 C 0 0 0
- 2.5191 1.2946 0.0079 C 0 0 0
- 0.6448 2.9431 0.0622 C 0 0 0
- 1.9810 -1.0931 -0.0500 C 0 0 0
- -0.4033 -1.8009 -0.0528 C 0 0 0
- -3.6152 0.1692 0.0041 C 0 0 0
- -1.7618 -1.5018 -0.0498 C 0 0 0
- -0.7090 3.2446 0.0770 C 0 0 0
- -3.0482 2.5094 0.0661 C 0 0 0
- 2.9309 -0.0613 -0.0312 C 0 0 0
- 3.4732 2.3018 0.0310 C 0 0 0
- 2.4259 -2.5054 -0.0842 N 0 3 0
- -3.9907 1.4943 0.0423 C 0 0 0
- -4.6416 -0.8978 -0.0204 N 0 3 0
- 4.3075 -0.3648 -0.0461 C 0 0 0
- 4.8253 1.9791 0.0156 C 0 0 0
- 2.6026 -3.0626 -1.1528 O 0 0 0
- 2.6458 -3.2080 1.1254 O 0 5 0
- -5.6384 -0.7683 -0.7081 O 0 0 0
- -4.4642 -2.0687 0.7559 O 0 5 0
- 5.2350 0.6573 -0.0225 C 0 0 0
- 1.3499 3.7220 0.0000 H 0 0 0
- -0.0918 -2.8043 0.0000 H 0 0 0
- -2.4676 -2.2801 0.0000 H 0 0 0
- -1.0195 4.2483 0.0000 H 0 0 0
- -3.3660 3.5108 0.0000 H 0 0 0
- 3.1737 3.3089 0.0000 H 0 0 0
- -5.0122 1.7401 0.0000 H 0 0 0
- 4.6265 -1.3659 0.0000 H 0 0 0
- 5.5432 2.7462 0.0000 H 0 0 0
- 6.2608 0.4299 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 11 18 1 0
- 11 19 1 0
- 15 20 1 0
- 16 21 2 0
- 17 22 2 0
- 17 23 1 0
- 19 24 2 0
- 19 25 1 0
- 20 26 2 0
- 8 13 2 0
- 9 15 1 0
- 10 12 2 0
- 14 18 2 0
- 21 26 1 0
- 8 27 1 0
- 10 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 16 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 26 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7203-90-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.3185 -0.3869 0.0045 C 0 0 0
- 0.5545 -1.4757 0.0035 C 0 0 0
- 0.1936 0.9110 0.0033 C 0 0 0
- -1.6752 -0.5919 0.0010 N 0 0 0
- 1.9173 -1.2635 0.0012 C 0 0 0
- 1.5588 1.1110 0.0010 C 0 0 0
- -2.4799 0.4163 0.0020 N 0 0 0
- 2.4199 0.0270 0.0000 C 0 0 0
- -3.8652 0.2070 -0.0016 N 0 0 0
- 4.1364 0.2864 -0.0028 Cl 0 0 0
- -4.3999 -1.1569 -0.0064 C 0 0 0
- -4.7791 1.3520 -0.0005 C 0 0 0
- 0.1773 -2.4476 0.0000 H 0 0 0
- -0.4540 1.7280 0.0000 H 0 0 0
- 2.5704 -2.0762 0.0000 H 0 0 0
- 1.9426 2.0803 0.0000 H 0 0 0
- -5.3705 -0.7764 0.0000 H 0 0 0
- -4.7804 -2.1275 0.0000 H 0 0 0
- -3.4293 -1.5374 0.0000 H 0 0 0
- -3.9643 2.0024 0.0000 H 0 0 0
- -5.4295 2.1668 0.0000 H 0 0 0
- -5.5939 0.7016 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92758-43-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 38 1 V2000
- -0.0472 -0.3855 -0.0016 C 0 0 0
- -1.4487 -0.2684 -0.0015 C 0 0 0
- 0.7511 0.7721 0.0000 C 0 0 0
- 0.5707 -1.7123 0.0026 C 0 0 0
- -2.0374 1.0160 -0.0001 C 0 0 0
- -2.2574 -1.4276 -0.0022 C 0 0 0
- 2.2045 0.6151 -0.0001 C 0 0 0
- 0.1408 2.0398 0.0014 C 0 0 0
- 1.9511 -1.8274 0.0021 C 0 0 0
- -0.2944 -2.8922 0.0069 C 0 0 0
- -1.2115 2.1595 0.0005 C 0 0 0
- -3.4409 1.1210 0.0000 C 0 0 0
- -1.6380 -2.7499 -0.0026 C 0 0 0
- -3.6476 -1.2837 -0.0020 C 0 0 0
- 2.7686 -0.6854 -0.0019 C 0 0 0
- 3.0466 1.7337 0.0010 C 0 0 0
- -4.2196 -0.0273 -0.0011 C 0 0 0
- -4.0460 2.3734 0.0018 N 0 0 0
- 4.1713 -0.8202 -0.0025 C 0 0 0
- 4.3993 1.5647 0.0003 C 0 0 0
- 4.9587 0.2893 -0.0014 C 0 0 0
- 0.7408 2.9071 0.0000 H 0 0 0
- 2.3938 -2.7846 0.0000 H 0 0 0
- 0.1321 -3.8568 0.0000 H 0 0 0
- -1.6497 3.1188 0.0000 H 0 0 0
- -2.2500 -3.6088 0.0000 H 0 0 0
- -4.2633 -2.1400 0.0000 H 0 0 0
- 2.6353 2.7048 0.0000 H 0 0 0
- -5.2705 0.0615 0.0000 H 0 0 0
- -3.4530 3.2455 0.0000 H 0 0 0
- -5.0978 2.4509 0.0000 H 0 0 0
- 4.6099 -1.7793 0.0000 H 0 0 0
- 5.0299 2.4101 0.0000 H 0 0 0
- 6.0079 0.1820 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 12 18 1 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 17 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-112022-10-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -1.0754 0.6658 0.0009 C 0 0 0
- -2.0709 1.6360 -0.0595 C 0 0 0
- 0.2696 1.0512 0.0207 C 0 0 0
- -1.4080 -0.6491 0.0461 O 0 0 0
- -3.3800 1.2662 -0.0786 O 0 0 0
- -1.7280 2.9766 -0.0997 C 0 0 0
- 0.6001 2.4096 -0.0204 C 0 0 0
- 1.3329 0.0306 0.0852 C 0 0 0
- -2.7165 -1.0200 0.0324 C 0 0 0
- -3.7135 -0.0518 -0.0385 C 0 0 0
- -0.3962 3.3589 -0.0801 C 0 0 0
- 2.6272 0.4061 0.1041 N 0 0 0
- 1.0416 -1.1494 0.1213 O 0 0 0
- -3.0588 -2.3613 0.0780 C 0 0 0
- -5.0449 -0.4328 -0.0581 C 0 0 0
- 3.6830 -0.6074 0.1681 C 0 0 0
- -4.3904 -2.7352 0.0634 C 0 0 0
- -5.3805 -1.7740 -0.0177 C 0 0 0
- 5.0499 0.0800 0.1774 C 0 0 0
- 6.1087 -0.9363 0.2416 N 0 0 0
- 6.0524 -1.6848 -1.0211 C 0 0 0
- 7.3876 -0.2137 0.2473 C 0 0 0
- -2.4726 3.6998 0.0000 H 0 0 0
- 1.5961 2.7019 0.0000 H 0 0 0
- -0.1486 4.3670 0.0000 H 0 0 0
- 2.8752 1.4140 0.0000 H 0 0 0
- -2.3161 -3.0865 0.0000 H 0 0 0
- -5.7911 0.2888 0.0000 H 0 0 0
- 2.8841 -1.2702 0.0000 H 0 0 0
- 4.2512 -1.4761 0.0000 H 0 0 0
- -4.6456 -3.7414 0.0000 H 0 0 0
- -6.3788 -2.0584 0.0000 H 0 0 0
- 5.8488 0.7428 0.0000 H 0 0 0
- 4.4817 0.9487 0.0000 H 0 0 0
- 5.0173 -1.6069 0.0000 H 0 0 0
- 5.9745 -2.7199 0.0000 H 0 0 0
- 7.0875 -1.7627 0.0000 H 0 0 0
- 7.8982 -1.1174 0.0000 H 0 0 0
- 8.2913 0.2969 0.0000 H 0 0 0
- 6.8770 0.6900 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 2 0
- 17 18 1 0
- 6 23 1 0
- 7 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4752-10-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- 0.7102 -0.5304 0.0016 C 0 0 0
- -0.7102 -0.5304 0.0015 C 0 0 0
- 1.3642 0.7153 0.0003 C 0 0 0
- 1.4005 -1.7494 -0.0027 C 0 0 0
- -1.3643 0.7153 0.0000 C 0 0 0
- -1.4005 -1.7495 0.0032 C 0 0 0
- 0.6404 1.8136 -0.0010 N 0 0 0
- 3.0981 0.8014 0.0010 Cl 0 0 0
- 0.6968 -2.9165 -0.0070 C 0 0 0
- -0.6404 1.8136 -0.0011 N 0 0 0
- -3.0981 0.8014 -0.0008 Cl 0 0 0
- -0.6967 -2.9166 0.0049 C 0 0 0
- 2.4511 -1.7638 0.0000 H 0 0 0
- -2.4511 -1.7639 0.0000 H 0 0 0
- 1.2135 -3.8313 0.0000 H 0 0 0
- -1.2133 -3.8315 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 10 2 0
- 9 12 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 12 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20930-10-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 53 1 V2000
- 1.3024 0.2391 0.2391 C 0 0 0
- 1.2723 -1.2354 -0.0707 C 0 0 0
- 2.5455 0.8515 -0.3533 C 0 0 0
- 0.1295 0.8775 -0.3310 O 0 0 0
- 1.3068 0.4340 1.6981 C 0 0 0
- 1.4849 -2.1576 0.9366 C 0 0 0
- 1.0262 -1.6658 -1.3614 C 0 0 0
- 2.4397 1.7989 -1.3547 C 0 0 0
- 3.7912 0.4702 0.1084 C 0 0 0
- -1.1002 0.5226 0.0870 C 0 0 0
- 1.3103 0.5894 2.8617 C 0 0 0
- 1.4572 -3.5104 0.6524 C 0 0 0
- 0.9985 -3.0181 -1.6454 C 0 0 0
- 3.5797 2.3605 -1.8979 C 0 0 0
- 4.9316 1.0320 -0.4350 C 0 0 0
- -2.1910 1.0347 -0.5167 N 0 0 0
- -1.2265 -0.2593 1.0084 O 0 0 0
- 1.3147 0.7843 4.3208 C 0 0 0
- 1.2170 -3.9405 -0.6390 C 0 0 0
- 4.8259 1.9749 -1.4400 C 0 0 0
- -3.5290 0.6485 -0.0619 C 0 0 0
- -4.5036 1.8022 -0.3068 C 0 0 0
- -3.9946 -0.5857 -0.8369 C 0 0 0
- -5.9010 1.3989 0.1681 C 0 0 0
- -5.3920 -0.9890 -0.3620 C 0 0 0
- -6.3666 0.1647 -0.6070 C 0 0 0
- 2.4483 -2.0580 0.0000 H 0 0 0
- 0.0928 -1.4075 0.0000 H 0 0 0
- 1.5902 2.2640 0.0000 H 0 0 0
- 3.8689 -0.4952 0.0000 H 0 0 0
- 2.3919 -3.7640 0.0000 H 0 0 0
- 0.0355 -3.1206 0.0000 H 0 0 0
- 3.5034 3.3260 0.0000 H 0 0 0
- 5.7812 0.5671 0.0000 H 0 0 0
- -2.1146 2.0002 0.0000 H 0 0 0
- 2.2829 0.7624 0.0000 H 0 0 0
- 1.3366 1.7525 0.0000 H 0 0 0
- 0.3465 0.8062 0.0000 H 0 0 0
- 1.0834 -4.8997 0.0000 H 0 0 0
- 5.5721 2.5923 0.0000 H 0 0 0
- -2.8720 -0.0631 0.0000 H 0 0 0
- -3.6837 2.3177 0.0000 H 0 0 0
- -4.8995 2.6861 0.0000 H 0 0 0
- -3.9297 -1.5520 0.0000 H 0 0 0
- -3.0365 -0.7274 0.0000 H 0 0 0
- -5.9659 2.3652 0.0000 H 0 0 0
- -6.8591 1.5406 0.0000 H 0 0 0
- -6.2119 -1.5045 0.0000 H 0 0 0
- -4.9961 -1.8729 0.0000 H 0 0 0
- -7.2021 0.6545 0.0000 H 0 0 0
- -6.9904 -0.5762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 5 11 3 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 2 0
- 14 20 1 0
- 16 21 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 13 19 1 0
- 15 20 2 0
- 25 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 12 31 1 0
- 13 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 20 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 25 48 1 0
- 25 49 1 0
- 26 50 1 0
- 26 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70249-46-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.2201 0.2729 0.0038 C 0 0 0
- 0.2734 -0.9224 0.0036 C 0 0 0
- 0.8396 1.2805 0.0010 C 0 0 0
- -1.6360 0.6202 0.0008 C 0 0 0
- 1.7393 -0.7960 0.0007 C 0 0 0
- -0.7010 -2.0302 0.0061 C 0 0 0
- 2.0786 0.4879 -0.0005 C 0 0 0
- 0.4696 2.5368 0.0003 C 0 0 0
- -2.5030 -0.3637 -0.0020 C 0 0 0
- -1.9525 2.0586 0.0008 C 0 0 0
- 2.7999 -1.8208 -0.0012 C 0 0 0
- -1.9926 -1.7525 0.0086 C 0 0 0
- 3.4981 0.8742 -0.0026 C 0 0 0
- -0.9515 2.9205 0.0023 C 0 0 0
- -3.9842 -0.0865 -0.0046 C 0 0 0
- 4.0664 -1.4712 -0.0037 C 0 0 0
- 4.4380 -0.0458 -0.0035 C 0 0 0
- -4.7003 -1.3231 -0.0074 O 0 0 0
- -0.3573 -3.0716 0.0000 H 0 0 0
- 1.2362 3.3210 0.0000 H 0 0 0
- -2.9929 2.4053 0.0000 H 0 0 0
- 2.5292 -2.8836 0.0000 H 0 0 0
- -2.7118 -2.5805 0.0000 H 0 0 0
- 3.7742 1.9356 0.0000 H 0 0 0
- -1.1947 3.9899 0.0000 H 0 0 0
- -3.6619 0.9618 0.0000 H 0 0 0
- -4.9893 0.3523 0.0000 H 0 0 0
- 4.8474 -2.2411 0.0000 H 0 0 0
- 5.4948 0.2473 0.0000 H 0 0 0
- -5.2499 -2.2722 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 2 0
- 15 18 1 0
- 5 7 2 0
- 9 12 1 0
- 10 14 2 0
- 16 17 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-616-69-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 1.0169 -0.2627 -0.0050 C 0 0 0
- -0.2405 -0.8359 0.0213 C 0 0 0
- 1.1488 1.1131 -0.0412 C 0 0 0
- 2.2223 -1.1215 0.0119 N 0 3 0
- -1.3664 -0.0335 0.0114 C 0 0 0
- 0.0233 1.9152 -0.0511 C 0 0 0
- 2.5198 1.7381 -0.0693 C 0 0 0
- 2.4772 -1.8321 -0.9440 O 0 0 0
- 2.9593 -1.1177 0.9816 O 0 5 0
- -1.2345 1.3418 -0.0248 C 0 0 0
- -2.7129 -0.6474 0.0400 N 0 3 0
- 0.1671 3.4149 -0.0896 C 0 0 0
- -3.7048 0.0595 0.0312 O 0 0 0
- -2.8291 -1.8594 0.0722 O 0 5 0
- -0.3396 -1.8677 0.0000 H 0 0 0
- 2.9498 0.7949 0.0000 H 0 0 0
- 3.4630 2.1681 0.0000 H 0 0 0
- 2.0898 2.6813 0.0000 H 0 0 0
- -2.0785 1.9435 0.0000 H 0 0 0
- 1.1989 3.3160 0.0000 H 0 0 0
- 0.2660 4.4467 0.0000 H 0 0 0
- -0.8647 3.5138 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 11 13 2 0
- 11 14 1 0
- 6 10 1 0
- 2 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 10 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114460-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- -0.5089 0.5476 -0.0177 C 0 0 0
- -1.4807 -0.4629 -0.0591 C 0 0 0
- 0.9321 0.2964 0.0212 C 0 0 0
- -0.9300 1.8993 0.0192 C 0 0 0
- -2.8076 -0.1193 0.2607 C 0 0 0
- -1.5153 -1.7836 -0.4294 N 0 0 0
- 1.8217 1.3755 -0.2008 C 0 0 0
- 1.4640 -0.9594 0.3165 C 0 0 0
- -2.2694 2.2117 0.3150 C 0 0 0
- -0.0054 2.9341 -0.2459 C 0 0 0
- -3.1808 1.2183 0.4611 C 0 0 0
- -3.5525 -1.3785 0.3358 C 0 0 0
- -2.7189 -2.3418 -0.0807 C 0 0 0
- -0.4784 -2.5269 -1.1504 C 0 0 0
- 1.3137 2.6836 -0.3694 C 0 0 0
- 3.2044 1.1419 -0.2338 C 0 0 0
- 2.8279 -1.1574 0.3130 C 0 0 0
- 3.6949 -0.1020 0.0243 C 0 0 0
- 3.3339 -2.3867 0.5944 O 0 0 0
- 0.8350 -1.7747 0.0000 H 0 0 0
- -2.5734 3.1956 0.0000 H 0 0 0
- -0.3361 3.9093 0.0000 H 0 0 0
- -4.1822 1.4582 0.0000 H 0 0 0
- -4.5781 -1.4706 0.0000 H 0 0 0
- -2.9352 -3.3486 0.0000 H 0 0 0
- -1.0784 -3.3638 0.0000 H 0 0 0
- 0.3585 -3.1269 0.0000 H 0 0 0
- 0.1216 -1.6900 0.0000 H 0 0 0
- 1.9724 3.4752 0.0000 H 0 0 0
- 3.8529 1.9418 0.0000 H 0 0 0
- 4.7121 -0.2620 0.0000 H 0 0 0
- 3.7259 -3.3389 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 2 0
- 16 18 2 0
- 17 19 1 0
- 9 11 2 0
- 10 15 2 0
- 12 13 2 0
- 17 18 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19996-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.4857 1.2038 0.3393 C 0 0 0
- -1.1727 -0.0014 0.4721 C 0 0 0
- 0.9540 1.2060 0.0601 C 0 0 0
- -1.1539 2.4412 0.4633 C 0 0 0
- -0.4832 -1.2055 0.3379 C 0 0 0
- -2.6520 -0.0029 0.7594 C 0 0 0
- 1.6446 0.0017 -0.0739 C 0 0 0
- 1.6184 2.4444 -0.0682 C 0 0 0
- -0.4543 3.5966 0.3283 C 0 0 0
- 0.9562 -1.2045 0.0588 C 0 0 0
- -1.1479 -2.4441 0.4668 C 0 0 0
- -3.5661 -0.0026 -0.7947 Cl 0 0 0
- 3.3490 0.0035 -0.4038 Cl 0 0 0
- 0.9165 3.5984 0.0684 C 0 0 0
- 1.6231 -2.4414 -0.0706 C 0 0 0
- -0.4461 -3.5981 0.3307 C 0 0 0
- 0.9236 -3.5969 0.0651 C 0 0 0
- -2.1948 2.4669 0.0000 H 0 0 0
- -3.1725 -0.9047 0.0000 H 0 0 0
- -2.1309 -0.9043 0.0000 H 0 0 0
- 2.6592 2.4725 0.0000 H 0 0 0
- -0.9661 4.5033 0.0000 H 0 0 0
- -2.1887 -2.4721 0.0000 H 0 0 0
- 1.4262 4.5063 0.0000 H 0 0 0
- 2.6640 -2.4674 0.0000 H 0 0 0
- -0.9560 -4.5059 0.0000 H 0 0 0
- 1.4352 -4.5037 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 10 15 1 0
- 11 16 2 0
- 15 17 2 0
- 7 10 1 0
- 9 14 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 6 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
- 17 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-495-18-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.3109 0.0981 -0.0010 C 0 0 0
- -1.1536 0.3005 -0.0002 C 0 0 0
- 1.1706 1.1979 0.0003 C 0 0 0
- 0.8399 -1.1933 0.0027 C 0 0 0
- -1.9810 -0.7634 -0.0015 N 0 0 0
- -1.6115 1.4265 0.0017 O 0 0 0
- 2.5360 1.0021 -0.0005 C 0 0 0
- 2.2076 -1.3753 0.0018 C 0 0 0
- -3.3836 -0.5696 -0.0007 O 0 0 0
- 3.0540 -0.2810 -0.0027 C 0 0 0
- 0.7833 2.1606 0.0000 H 0 0 0
- 0.2060 -2.0149 0.0000 H 0 0 0
- -1.5901 -1.7246 0.0000 H 0 0 0
- 3.1761 1.8188 0.0000 H 0 0 0
- 2.6022 -2.3350 0.0000 H 0 0 0
- -4.4115 -0.4276 0.0000 H 0 0 0
- 4.0819 -0.4231 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1671-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.0795 0.2520 -0.0391 C 0 0 0
- -0.9547 -0.7620 0.1324 N 0 0 0
- 1.3957 0.1295 -0.0287 N 0 3 0
- -0.7497 1.3569 -0.2212 N 0 0 0
- -2.2128 -0.2286 0.0534 C 0 0 0
- -0.6201 -2.1699 0.3605 C 0 0 0
- 1.9428 -0.7013 -0.7315 O 0 0 0
- 2.0624 0.8595 0.6828 O 0 5 0
- -2.0633 1.0905 -0.1729 C 0 0 0
- -3.0804 -0.7351 0.0000 H 0 0 0
- -1.5975 -2.4022 0.0000 H 0 0 0
- -0.3878 -3.1473 0.0000 H 0 0 0
- 0.3573 -1.9376 0.0000 H 0 0 0
- -2.8040 1.7692 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 9 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-123-91-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.7137 -1.1478 0.2744 C 0 0 0
- -0.7137 -1.1478 -0.2744 C 0 0 0
- 1.4133 0.0000 -0.2080 O 0 0 0
- -1.4133 0.0000 0.2080 O 0 0 0
- 0.7137 1.1478 0.2744 C 0 0 0
- -0.7137 1.1478 -0.2744 C 0 0 0
- 0.5308 -2.1392 0.0000 H 0 0 0
- 1.6555 -1.5076 0.0000 H 0 0 0
- -1.6555 -1.5076 0.0000 H 0 0 0
- -0.5308 -2.1392 0.0000 H 0 0 0
- 1.6555 1.5076 0.0000 H 0 0 0
- 0.5308 2.1392 0.0000 H 0 0 0
- -0.5308 2.1392 0.0000 H 0 0 0
- -1.6555 1.5076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-625-86-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 1.0966 -0.0768 -0.0018 C 0 0 0
- 0.0000 -0.8522 -0.0013 O 0 0 0
- 0.7069 1.2106 -0.0006 C 0 0 0
- 2.5219 -0.5662 0.0021 C 0 0 0
- -1.0966 -0.0768 0.0003 C 0 0 0
- -0.7069 1.2106 0.0008 C 0 0 0
- -2.5220 -0.5662 0.0009 C 0 0 0
- 1.3081 2.0207 0.0000 H 0 0 0
- 2.1943 -1.5203 0.0000 H 0 0 0
- 3.4760 -0.8938 0.0000 H 0 0 0
- 2.8495 0.3879 0.0000 H 0 0 0
- -1.3081 2.0207 0.0000 H 0 0 0
- -2.8496 0.3879 0.0000 H 0 0 0
- -3.4761 -0.8938 0.0000 H 0 0 0
- -2.1944 -1.5203 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 6 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2381-16-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 36 1 V2000
- -0.6473 -0.0794 -0.0020 C 0 0 0
- -2.0859 -0.3824 -0.0016 C 0 0 0
- -0.2260 1.3226 0.0000 C 0 0 0
- 0.2935 -1.0956 0.0015 C 0 0 0
- -3.0141 0.6797 0.0008 C 0 0 0
- -2.5415 -1.7018 -0.0030 C 0 0 0
- 1.1263 1.6451 0.0001 C 0 0 0
- -1.2425 2.3734 0.0023 C 0 0 0
- 1.6551 -0.7772 0.0010 C 0 0 0
- -2.5529 2.0644 0.0022 C 0 0 0
- -4.3856 0.3887 0.0012 C 0 0 0
- -3.8945 -1.9552 -0.0020 C 0 0 0
- 2.0801 0.6244 -0.0017 C 0 0 0
- 2.6398 -1.7851 0.0051 C 0 0 0
- -4.8078 -0.9087 -0.0006 C 0 0 0
- 3.4598 0.9143 -0.0016 C 0 0 0
- 3.9538 -1.4383 0.0050 C 0 0 0
- 4.3587 -0.1045 -0.0034 C 0 0 0
- 5.8313 0.2157 -0.0033 C 0 0 0
- -0.0134 -2.0979 0.0000 H 0 0 0
- -1.8568 -2.4956 0.0000 H 0 0 0
- 1.4286 2.6488 0.0000 H 0 0 0
- -0.9476 3.3793 0.0000 H 0 0 0
- -3.2601 2.8382 0.0000 H 0 0 0
- -5.0867 1.1680 0.0000 H 0 0 0
- -4.2382 -2.9455 0.0000 H 0 0 0
- 2.3607 -2.7955 0.0000 H 0 0 0
- -5.8348 -1.1185 0.0000 H 0 0 0
- 3.7899 1.9092 0.0000 H 0 0 0
- 4.6813 -2.1930 0.0000 H 0 0 0
- 6.0540 -0.8086 0.0000 H 0 0 0
- 6.8556 0.4384 0.0000 H 0 0 0
- 5.6086 1.2400 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 18 19 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 19 31 1 0
- 19 32 1 0
- 19 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99026-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -0.4990 -0.1558 0.1343 C 0 0 0
- -1.8675 0.3714 0.0027 C 0 0 0
- 0.5140 0.6634 0.2886 C 0 0 0
- -0.3017 -1.6160 0.0944 C 0 0 0
- -2.0851 1.6646 0.0391 C 0 0 0
- -2.9756 -0.5854 -0.1689 C 0 0 0
- 1.8743 0.1142 0.4184 C 0 0 0
- 0.2750 2.1162 0.3290 C 0 0 0
- 0.9142 -2.1035 0.2107 C 0 0 0
- -1.4670 -2.4968 -0.0748 C 0 0 0
- -0.9512 2.5884 0.2129 C 0 0 0
- -3.4620 2.1699 -0.0943 C 0 0 0
- -2.6851 -2.0265 -0.2042 C 0 0 0
- -4.2041 -0.1312 -0.2878 C 0 0 0
- 2.0585 -1.1896 0.3782 C 0 0 0
- 2.9317 0.9463 0.5779 N 0 0 0
- 1.1156 -3.4501 0.1768 O 0 0 0
- -4.4571 1.3203 -0.2483 C 0 0 0
- 3.9762 0.8791 -0.2712 C 0 0 0
- 5.2070 1.7114 -0.0190 C 0 0 0
- 3.9257 0.1488 -1.2381 O 0 0 0
- 1.0959 2.7843 0.0000 H 0 0 0
- -1.3200 -3.5449 0.0000 H 0 0 0
- -1.1178 3.6336 0.0000 H 0 0 0
- -3.6489 3.2116 0.0000 H 0 0 0
- -3.4942 -2.7088 0.0000 H 0 0 0
- -5.0172 -0.8086 0.0000 H 0 0 0
- 3.0420 -1.5805 0.0000 H 0 0 0
- 2.6177 1.9570 0.0000 H 0 0 0
- 1.2721 -4.4968 0.0000 H 0 0 0
- -5.4528 1.6790 0.0000 H 0 0 0
- 5.7999 0.8347 0.0000 H 0 0 0
- 6.0837 2.3043 0.0000 H 0 0 0
- 4.6141 2.5881 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 16 19 1 0
- 19 20 1 0
- 19 21 2 0
- 8 11 2 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 8 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-22-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.0184 0.7353 -0.0028 C 0 0 0
- -0.0102 -0.6816 -0.0009 C 0 0 0
- 1.2530 1.4045 -0.0020 C 0 0 0
- -1.1984 1.4423 0.0003 C 0 0 0
- 1.2046 -1.3896 0.0014 C 0 0 0
- -1.1827 -1.3231 -0.0008 N 0 0 0
- 2.4084 0.6845 0.0007 C 0 0 0
- -2.3608 0.7246 0.0050 C 0 0 0
- 2.3828 -0.7089 0.0018 C 0 0 0
- -2.3182 -0.6676 -0.0025 C 0 0 0
- 1.2846 2.4487 0.0000 H 0 0 0
- -1.2124 2.4868 0.0000 H 0 0 0
- 1.2026 -2.4342 0.0000 H 0 0 0
- 3.3264 1.1831 0.0000 H 0 0 0
- -3.2808 1.2195 0.0000 H 0 0 0
- 3.2827 -1.2394 0.0000 H 0 0 0
- -3.2148 -1.2037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 9 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-623-05-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -2.4470 -0.3515 -0.4399 C 0 0 0
- -3.1222 0.3799 0.5854 O 0 0 0
- -0.9575 -0.2045 -0.2639 C 0 0 0
- -0.1733 -1.3239 -0.0565 C 0 0 0
- -0.3768 1.0495 -0.3159 C 0 0 0
- 1.1925 -1.1918 0.1047 C 0 0 0
- 0.9882 1.1869 -0.1553 C 0 0 0
- 1.7768 0.0654 0.0582 C 0 0 0
- 3.1200 0.1980 0.2168 O 0 0 0
- -3.3349 -0.8714 0.0000 H 0 0 0
- -2.1291 -1.3301 0.0000 H 0 0 0
- -3.8201 1.1359 0.0000 H 0 0 0
- -0.6038 -2.2585 0.0000 H 0 0 0
- -0.9736 1.8877 0.0000 H 0 0 0
- 1.7871 -2.0316 0.0000 H 0 0 0
- 1.4160 2.1227 0.0000 H 0 0 0
- 4.1439 0.2991 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1849-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.0468 0.0001 -0.0011 C 0 0 0
- -2.5269 0.0000 -0.0007 N 0 3 0
- -0.3571 1.1986 0.0007 C 0 0 0
- -0.3569 -1.1988 0.0027 C 0 0 0
- -3.1359 -1.0548 -0.0023 O 0 0 0
- -3.1359 1.0549 0.0010 O 0 5 0
- 1.0239 1.2025 0.0009 C 0 0 0
- 1.0237 -1.2027 0.0029 C 0 0 0
- 1.7204 0.0001 -0.0007 C 0 0 0
- 3.4824 0.0001 -0.0011 S 0 0 0
- -0.8776 2.0958 0.0000 H 0 0 0
- -0.8774 -2.0960 0.0000 H 0 0 0
- 1.5406 2.1019 0.0000 H 0 0 0
- 1.5404 -2.1021 0.0000 H 0 0 0
- 4.5197 0.0001 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 7 9 2 0
- 9 10 1 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-97-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- 0.4467 0.1124 -0.0388 C 0 0 0
- -0.0329 -1.2781 -0.0194 C 0 0 0
- 1.8936 0.3335 0.0893 C 0 0 0
- -0.4726 1.1359 -0.1817 C 0 0 0
- -1.3906 -1.5544 0.0860 C 0 0 0
- 0.9347 -2.3626 -0.1740 C 0 0 0
- 2.7711 -0.7472 -0.1657 C 0 0 0
- 2.4559 1.5248 0.5444 C 0 0 0
- -1.8462 0.8717 -0.0823 C 0 0 0
- -0.0417 2.5356 -0.5464 C 0 0 0
- -2.3160 -0.5074 0.0845 C 0 0 0
- -1.8664 -2.9807 0.2057 C 0 0 0
- 2.2478 -2.1004 -0.3154 C 0 0 0
- 4.1542 -0.5298 -0.2132 C 0 0 0
- 3.8177 1.7239 0.4875 C 0 0 0
- -2.8025 1.9031 -0.1560 C 0 0 0
- -3.6983 -0.7398 0.2223 C 0 0 0
- 4.6635 0.7002 0.0824 C 0 0 0
- -4.1260 1.6087 -0.0381 C 0 0 0
- -4.5684 0.3036 0.1542 C 0 0 0
- 0.6024 -3.3565 0.0000 H 0 0 0
- 1.8322 2.3670 0.0000 H 0 0 0
- 0.9599 2.2272 0.0000 H 0 0 0
- 0.2667 3.5372 0.0000 H 0 0 0
- -1.0433 2.8440 0.0000 H 0 0 0
- -2.8606 -2.6491 0.0000 H 0 0 0
- -2.1980 -3.9749 0.0000 H 0 0 0
- -0.8722 -3.3123 0.0000 H 0 0 0
- 2.9225 -2.9023 0.0000 H 0 0 0
- 4.8026 -1.3532 0.0000 H 0 0 0
- 4.1943 2.7019 0.0000 H 0 0 0
- -2.4906 2.9036 0.0000 H 0 0 0
- -4.0622 -1.7226 0.0000 H 0 0 0
- 5.6999 0.8558 0.0000 H 0 0 0
- -4.8260 2.3887 0.0000 H 0 0 0
- -5.5987 0.1117 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 11 17 1 0
- 14 18 2 0
- 16 19 2 0
- 17 20 2 0
- 7 13 1 0
- 9 11 2 0
- 15 18 1 0
- 19 20 1 0
- 6 21 1 0
- 8 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70458-96-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- 0.3635 -0.3901 0.0961 C 0 0 0
- 0.9520 0.8829 -0.0180 C 0 0 0
- 1.1542 -1.5155 0.1976 N 0 0 0
- -1.0219 -0.4991 0.0993 C 0 0 0
- 2.4210 0.9825 -0.0257 C 0 0 0
- 0.1517 2.0231 -0.1218 C 0 0 0
- 2.4927 -1.4638 0.1936 C 0 0 0
- 0.5028 -2.8224 0.3153 C 0 0 0
- -1.8029 0.6404 -0.0092 C 0 0 0
- 3.1818 -0.2730 0.0879 C 0 0 0
- 2.9838 2.0593 -0.1226 O 0 0 0
- -1.2089 1.9009 -0.1125 C 0 0 0
- 0.2889 -3.4131 -1.0798 C 0 0 0
- -3.1912 0.5292 -0.0058 N 0 0 0
- 4.6511 -0.2582 0.0877 C 0 0 0
- -1.9837 3.0031 -0.2128 F 0 0 0
- -3.5576 -0.1409 1.2480 C 0 0 0
- -3.5437 -0.3868 -1.0975 C 0 0 0
- 5.3134 0.9113 -0.0172 O 0 0 0
- 5.2695 -1.3006 0.1820 O 0 0 0
- -5.0631 -0.4084 1.2671 C 0 0 0
- -5.0492 -0.6543 -1.0784 C 0 0 0
- -5.4156 -1.3244 0.1754 N 0 0 0
- -1.4667 -1.4302 0.0000 H 0 0 0
- 0.5862 2.9590 0.0000 H 0 0 0
- 3.0253 -2.3476 0.0000 H 0 0 0
- -0.0994 -1.9845 0.0000 H 0 0 0
- -0.5193 -2.9642 0.0000 H 0 0 0
- -0.6813 -3.0618 0.0000 H 0 0 0
- -0.0624 -4.3833 0.0000 H 0 0 0
- 1.2591 -3.7644 0.0000 H 0 0 0
- -3.6087 -1.1715 0.0000 H 0 0 0
- -2.5645 -0.4211 0.0000 H 0 0 0
- -3.5491 -1.4186 0.0000 H 0 0 0
- -2.5297 -0.5779 0.0000 H 0 0 0
- 5.8219 1.8092 0.0000 H 0 0 0
- -5.0577 0.6234 0.0000 H 0 0 0
- -6.0771 -0.2173 0.0000 H 0 0 0
- -4.9981 0.3763 0.0000 H 0 0 0
- -6.0423 -0.3741 0.0000 H 0 0 0
- -5.8494 -2.2607 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 2 0
- 17 21 1 0
- 18 22 1 0
- 21 23 1 0
- 7 10 2 0
- 9 12 2 0
- 22 23 1 0
- 4 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 13 29 1 0
- 13 30 1 0
- 13 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32784-82-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 54 1 V2000
- -12.6148 -0.6813 0.3166 C 0 0 0
- -13.5393 0.1839 0.8708 C 0 0 0
- -11.3702 -0.8295 0.9002 C 0 0 0
- -13.0249 -1.6007 -1.1295 S 0 0 0
- -13.2196 0.9010 2.0087 C 0 0 0
- -11.0506 -0.1125 2.0378 C 0 0 0
- -12.6202 -0.7610 -2.3326 O 0 0 0
- -12.1547 -2.7241 -1.1324 O 0 0 0
- -14.4443 -1.6598 -1.1598 O 0 0 0
- -11.9754 0.7528 2.5922 C 0 0 0
- -11.6271 1.5341 3.8328 C 0 0 0
- 11.0618 -0.9443 0.1920 C 0 0 0
- 10.0383 0.0134 0.8055 C 0 0 0
- 12.2605 -0.9223 0.9696 O 0 0 0
- 8.7549 -0.0101 -0.0270 C 0 0 0
- 13.2311 -1.8908 0.3091 S 0 0 0
- 7.7722 0.9093 0.5620 N 0 0 0
- 14.1212 -0.8417 -0.8732 C 0 0 0
- 14.0653 -2.2866 1.3893 O 0 0 0
- 12.3650 -2.8043 -0.3502 O 0 0 0
- 6.5707 0.8393 -0.2803 C 0 0 0
- 5.5002 1.7782 0.2793 C 0 0 0
- 4.2488 1.7052 -0.5980 C 0 0 0
- 3.2489 2.5822 -0.0753 O 0 0 0
- 2.0375 2.4624 -0.9889 S 0 0 0
- 1.0821 1.1178 -0.2340 C 0 0 0
- 1.3936 3.7184 -0.8248 O 0 0 0
- 2.6137 2.0650 -2.2256 O 0 0 0
- -14.4647 -0.0033 0.0000 H 0 0 0
- -10.9040 -1.6505 0.0000 H 0 0 0
- -13.6858 1.7220 0.0000 H 0 0 0
- -10.1252 0.0747 0.0000 H 0 0 0
- -12.2103 0.0895 0.0000 H 0 0 0
- -10.7648 1.1497 0.0000 H 0 0 0
- -11.2427 2.3964 0.0000 H 0 0 0
- -12.4894 1.9185 0.0000 H 0 0 0
- 10.2578 -1.4393 0.0000 H 0 0 0
- 11.3273 -1.8503 0.0000 H 0 0 0
- 10.8423 0.5084 0.0000 H 0 0 0
- 9.7728 0.9194 0.0000 H 0 0 0
- 7.9510 -0.5051 0.0000 H 0 0 0
- 9.0204 -0.9161 0.0000 H 0 0 0
- 8.0932 1.7971 0.0000 H 0 0 0
- 14.8411 -1.4525 0.0000 H 0 0 0
- 14.7320 -0.1218 0.0000 H 0 0 0
- 13.4013 -0.2309 0.0000 H 0 0 0
- 5.7844 0.3167 0.0000 H 0 0 0
- 6.8698 -0.0562 0.0000 H 0 0 0
- 6.2865 2.3008 0.0000 H 0 0 0
- 5.2010 2.6737 0.0000 H 0 0 0
- 3.4625 1.1826 0.0000 H 0 0 0
- 4.5480 0.8097 0.0000 H 0 0 0
- 0.3125 1.6646 0.0000 H 0 0 0
- 0.5353 0.3482 0.0000 H 0 0 0
- 1.8517 0.5710 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 4 9 2 0
- 5 10 2 0
- 10 11 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 16 20 2 0
- 17 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 25 27 2 0
- 25 28 2 0
- 6 10 1 0
- 2 29 1 0
- 3 30 1 0
- 5 31 1 0
- 6 32 1 0
- 7 33 1 0
- 11 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 15 41 1 0
- 15 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 18 46 1 0
- 21 47 1 0
- 21 48 1 0
- 22 49 1 0
- 22 50 1 0
- 23 51 1 0
- 23 52 1 0
- 26 53 1 0
- 26 54 1 0
- 26 55 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6313-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- -0.0064 -2.1002 -0.5727 N 0 3 0
- -0.0619 -3.2903 -0.3194 O 0 5 0
- 0.0421 -1.7256 -1.7306 O 0 0 0
- -0.0041 -1.1191 0.5153 C 0 0 0
- 1.2550 -0.3092 0.4546 C 0 0 0
- -1.2573 -0.3004 0.4521 C 0 0 0
- 1.2703 1.0058 -0.0075 C 0 0 0
- 2.4440 -0.8874 0.8690 C 0 0 0
- -1.2634 1.0128 -0.0155 C 0 0 0
- -2.4503 -0.8684 0.8691 C 0 0 0
- 0.0065 1.6431 -0.4400 C 0 0 0
- 2.4659 1.7232 -0.0608 C 0 0 0
- 3.6258 -0.1737 0.8184 C 0 0 0
- -2.4542 1.7377 -0.0734 C 0 0 0
- -3.6272 -0.1469 0.8149 C 0 0 0
- 0.0115 2.6503 -1.1205 O 0 0 0
- 3.6405 1.1298 0.3530 C 0 0 0
- -3.6330 1.1542 0.3427 C 0 0 0
- -0.8744 -1.5888 0.0000 H 0 0 0
- 2.4888 -1.8754 0.0000 H 0 0 0
- -2.5025 -1.8560 0.0000 H 0 0 0
- 2.4300 2.7115 0.0000 H 0 0 0
- 4.4844 -0.6646 0.0000 H 0 0 0
- -2.4111 2.7257 0.0000 H 0 0 0
- -4.4891 -0.6320 0.0000 H 0 0 0
- 4.4858 1.6432 0.0000 H 0 0 0
- -4.4744 1.6740 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 1 0
- 6 4 1 0
- 7 5 2 0
- 8 5 1 0
- 9 6 2 0
- 10 6 1 0
- 11 7 1 0
- 12 7 1 0
- 13 8 2 0
- 14 9 1 0
- 15 10 2 0
- 16 11 2 0
- 17 12 2 0
- 18 14 2 0
- 9 11 1 0
- 13 17 1 0
- 15 18 1 0
- 4 19 1 0
- 8 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 17 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-103395-25-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 0.9881 -0.7038 0.0834 C 0 0 0
- -0.1885 -0.2139 0.3016 C 0 0 0
- 1.9652 0.3577 -0.1542 C 0 0 0
- 1.3439 -2.1177 0.0716 C 0 0 0
- -0.0793 1.2513 0.2233 C 0 0 0
- -1.2647 -1.1905 0.5561 C 0 0 0
- 1.1759 1.5938 -0.0430 C 0 0 0
- 3.2006 -0.0087 -0.3883 C 0 0 0
- 0.3890 -2.9864 0.3026 C 0 0 0
- 2.7570 -2.4302 -0.2014 C 0 0 0
- -1.0945 2.3084 0.3878 C 0 0 0
- -0.9796 -2.4804 0.5480 C 0 0 0
- -2.6722 -0.7222 0.8224 C 0 0 0
- 1.5401 3.0132 -0.1718 C 0 0 0
- 3.5911 -1.4277 -0.4120 C 0 0 0
- -0.7644 3.5750 0.2725 C 0 0 0
- -3.5696 -0.5988 -0.7365 Cl 0 0 0
- 0.6288 3.9500 -0.0245 C 0 0 0
- 3.9733 0.7489 0.0000 H 0 0 0
- 0.5955 -4.0486 0.0000 H 0 0 0
- 3.1072 -3.4540 0.0000 H 0 0 0
- -2.1416 2.0353 0.0000 H 0 0 0
- -1.7952 -3.1915 0.0000 H 0 0 0
- -1.9087 0.0446 0.0000 H 0 0 0
- -3.0182 0.3031 0.0000 H 0 0 0
- 2.5858 3.2916 0.0000 H 0 0 0
- 4.6488 -1.6561 0.0000 H 0 0 0
- -1.5326 4.3371 0.0000 H 0 0 0
- 0.9155 4.9934 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 13 17 1 0
- 14 18 2 0
- 5 7 2 0
- 9 12 1 0
- 10 15 2 0
- 16 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-61-57-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.5690 -0.0431 -0.0014 C 0 0 0
- -1.9292 0.2435 -0.0016 N 0 0 0
- 0.7771 1.0539 -0.0011 S 0 0 0
- 0.0302 -1.2178 0.0045 N 0 0 0
- -2.9137 -0.6647 -0.0018 C 0 0 0
- -2.5159 1.5919 0.0047 C 0 0 0
- 2.0766 -0.1725 -0.0009 C 0 0 0
- 1.3457 -1.3137 0.0037 C 0 0 0
- -4.1431 -0.1329 -0.0020 N 0 0 0
- -2.7099 -1.8634 -0.0014 O 0 0 0
- -4.0351 1.3336 0.0014 C 0 0 0
- 3.5460 0.0081 -0.0006 N 0 3 0
- 4.2792 -0.9645 -0.0006 O 0 0 0
- 4.0218 1.1294 -0.0005 O 0 5 0
- -1.5543 1.9210 0.0000 H 0 0 0
- -2.7664 2.5769 0.0000 H 0 0 0
- 1.8007 -2.2225 0.0000 H 0 0 0
- -5.0125 -0.6594 0.0000 H 0 0 0
- -4.1242 2.3461 0.0000 H 0 0 0
- -5.0515 1.3264 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 12 13 2 0
- 12 14 1 0
- 7 8 2 0
- 9 11 1 0
- 6 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119631-01-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -1.3378 0.3230 -0.0039 C 0 0 0
- -1.1694 -1.1343 -0.0013 C 0 0 0
- -0.2758 1.1193 -0.0036 N 0 0 0
- -2.6526 0.8555 -0.0009 C 0 0 0
- 0.0491 -1.6672 0.0006 N 0 0 0
- -2.3201 -1.9498 -0.0012 C 0 0 0
- 0.9430 0.5873 -0.0008 C 0 0 0
- -3.7204 0.0051 0.0043 C 0 0 0
- -2.8522 2.2334 -0.0029 N 0 0 0
- 1.1123 -0.8714 0.0001 C 0 0 0
- -3.5526 -1.3776 -0.0036 C 0 0 0
- 2.0912 1.4034 -0.0006 C 0 0 0
- -5.1150 0.5762 0.0080 C 0 0 0
- 2.4204 -1.4049 0.0012 C 0 0 0
- 3.3277 0.8260 0.0021 C 0 0 0
- 3.4866 -0.5682 -0.0002 C 0 0 0
- 4.4588 1.6399 0.0023 N 0 0 0
- 4.8770 -1.1494 0.0010 C 0 0 0
- -2.2252 -2.9904 0.0000 H 0 0 0
- -2.0316 2.8802 0.0000 H 0 0 0
- -3.8226 2.6207 0.0000 H 0 0 0
- -4.3978 -1.9919 0.0000 H 0 0 0
- 1.9967 2.4440 0.0000 H 0 0 0
- -4.7190 1.5431 0.0000 H 0 0 0
- -6.0819 0.9722 0.0000 H 0 0 0
- -5.5110 -0.3907 0.0000 H 0 0 0
- 2.5652 -2.4397 0.0000 H 0 0 0
- 5.4114 1.2105 0.0000 H 0 0 0
- 4.3543 2.6795 0.0000 H 0 0 0
- 4.4740 -2.1134 0.0000 H 0 0 0
- 5.8410 -1.5524 0.0000 H 0 0 0
- 5.2800 -0.1854 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 15 17 1 0
- 16 18 1 0
- 7 10 1 0
- 8 11 1 0
- 15 16 1 0
- 6 19 1 0
- 9 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103139-94-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.8002 -0.3831 -0.0023 C 0 0 0
- -0.6560 -0.4992 -0.0014 C 0 0 0
- 1.3800 0.9102 -0.0013 C 0 0 0
- 1.5840 -1.4602 0.0015 N 0 0 0
- -1.4228 0.6689 0.0004 C 0 0 0
- -1.5120 -1.5464 -0.0020 N 0 0 0
- 0.5476 2.0455 0.0001 C 0 0 0
- 2.7114 1.0322 -0.0021 N 0 0 0
- 2.8917 -1.3153 0.0011 C 0 0 0
- -0.8036 1.9213 0.0014 C 0 0 0
- -2.7451 0.2595 0.0009 N 0 0 0
- -2.7467 -1.1041 -0.0006 C 0 0 0
- 1.1665 3.4196 0.0012 C 0 0 0
- 3.4652 -0.0448 -0.0037 C 0 0 0
- 3.7778 -2.5343 0.0054 C 0 0 0
- -3.9238 1.1295 0.0033 C 0 0 0
- -3.8753 -1.8976 -0.0014 N 0 0 0
- -1.3912 2.7772 0.0000 H 0 0 0
- 2.1131 2.9933 0.0000 H 0 0 0
- 1.5928 4.3662 0.0000 H 0 0 0
- 0.2199 3.8459 0.0000 H 0 0 0
- 4.4989 0.0519 0.0000 H 0 0 0
- 2.9380 -3.1447 0.0000 H 0 0 0
- 4.3882 -3.3741 0.0000 H 0 0 0
- 4.6176 -1.9239 0.0000 H 0 0 0
- -3.3073 1.9648 0.0000 H 0 0 0
- -4.7591 1.7460 0.0000 H 0 0 0
- -4.5403 0.2942 0.0000 H 0 0 0
- -4.8170 -1.4607 0.0000 H 0 0 0
- -3.7828 -2.9316 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 7 10 2 0
- 9 14 1 0
- 11 12 1 0
- 10 18 1 0
- 13 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 1 0
- 15 25 1 0
- 16 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2243-62-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- 0.4395 0.5549 0.0023 C 0 0 0
- -0.4392 -0.5550 0.0012 C 0 0 0
- 1.8332 0.3320 0.0014 C 0 0 0
- -0.0884 1.8562 -0.0017 C 0 0 0
- -1.8334 -0.3320 0.0020 C 0 0 0
- 0.0883 -1.8559 -0.0016 C 0 0 0
- 2.3121 -0.9607 -0.0004 C 0 0 0
- 2.7178 1.4096 0.0020 N 0 0 0
- -1.4372 2.0431 -0.0065 C 0 0 0
- -2.3121 0.9604 0.0038 C 0 0 0
- -2.7180 -1.4095 0.0005 N 0 0 0
- 1.4375 -2.0431 -0.0034 C 0 0 0
- 0.5539 2.6812 0.0000 H 0 0 0
- -0.5542 -2.6808 0.0000 H 0 0 0
- 3.3439 -1.1298 0.0000 H 0 0 0
- 3.7494 1.2391 0.0000 H 0 0 0
- 2.3496 2.3882 0.0000 H 0 0 0
- -1.8218 3.0154 0.0000 H 0 0 0
- -3.3439 1.1295 0.0000 H 0 0 0
- -3.7496 -1.2390 0.0000 H 0 0 0
- -2.3499 -2.3881 0.0000 H 0 0 0
- 1.8221 -3.0154 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 12 2 0
- 9 10 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-53527-28-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 72 1 V2000
- -0.7708 1.2583 -0.1674 C 0 0 2
- -1.7127 0.1476 0.3529 C 0 0 2
- 0.6292 1.1774 0.3776 C 0 0 1
- -1.5987 2.4884 0.0699 C 0 0 0
- -0.6768 1.1145 -1.6034 O 0 0 0
- -1.1486 -1.2021 -0.0205 C 0 0 1
- -2.9408 0.6261 -0.4718 C 0 0 2
- -2.0767 0.2146 1.8352 C 0 0 0
- 1.1423 -0.2243 0.0504 C 0 0 2
- 1.5184 2.2180 -0.3339 C 0 0 0
- 0.6569 1.5140 1.8656 C 0 0 0
- -2.8883 2.1259 -0.1443 C 0 0 0
- 0.2463 -1.3068 0.6431 C 0 0 0
- -1.9953 -2.2603 0.4999 O 0 0 0
- -4.1888 0.0390 0.1362 C 0 0 0
- 2.6183 -0.4568 0.3227 C 0 0 2
- 2.9708 2.0060 0.1267 C 0 0 0
- -4.0440 3.0123 -0.0538 C 0 0 0
- -2.0802 -3.4322 -0.1490 C 0 0 0
- -4.8995 -0.6819 -0.5221 O 0 0 0
- 3.4113 0.6329 -0.3880 C 0 0 1
- 3.0352 -1.8093 -0.2979 C 0 0 0
- 2.9129 -0.5387 1.8154 C 0 0 0
- -5.1578 2.5804 -0.2661 O 0 0 0
- -2.9591 -4.5307 0.3912 C 0 0 0
- -1.4520 -3.6064 -1.1663 O 0 0 0
- 4.9135 0.4701 -0.3899 C 0 0 0
- 4.5257 -1.9964 0.0139 C 0 0 0
- 5.3391 -0.9531 -0.7416 C 0 0 0
- 5.4859 1.3985 -1.4893 C 0 0 0
- 5.5500 0.9012 0.9316 C 0 0 0
- -1.2393 3.4662 0.0000 H 0 0 0
- -0.1068 0.2425 0.0000 H 0 0 0
- -0.7328 -2.1573 0.0000 H 0 0 0
- -2.9053 -0.4151 0.0000 H 0 0 0
- -1.8881 1.2391 0.0000 H 0 0 0
- -3.1012 0.4032 0.0000 H 0 0 0
- -2.2653 -0.8099 0.0000 H 0 0 0
- 1.5108 -1.1987 0.0000 H 0 0 0
- 1.8583 3.2028 0.0000 H 0 0 0
- 0.6142 2.7354 0.0000 H 0 0 0
- 1.6951 1.4286 0.0000 H 0 0 0
- 0.7423 2.5522 0.0000 H 0 0 0
- -0.3813 1.5994 0.0000 H 0 0 0
- -0.0420 -2.3079 0.0000 H 0 0 0
- 1.1675 -1.7933 0.0000 H 0 0 0
- -4.7908 0.8892 0.0000 H 0 0 0
- 3.9995 2.1706 0.0000 H 0 0 0
- 2.9637 3.0477 0.0000 H 0 0 0
- -3.8964 4.0435 0.0000 H 0 0 0
- 2.3827 0.7982 0.0000 H 0 0 0
- 2.0064 -1.9729 0.0000 H 0 0 0
- 3.0523 -2.8509 0.0000 H 0 0 0
- 2.6339 -1.5424 0.0000 H 0 0 0
- 3.9166 -0.8177 0.0000 H 0 0 0
- 3.1919 0.4650 0.0000 H 0 0 0
- -3.7725 -3.8799 0.0000 H 0 0 0
- -3.6099 -5.3441 0.0000 H 0 0 0
- -2.1457 -5.1815 0.0000 H 0 0 0
- 4.2139 -2.9904 0.0000 H 0 0 0
- 5.4482 -2.4803 0.0000 H 0 0 0
- 6.0123 -1.7481 0.0000 H 0 0 0
- 6.2550 -0.4568 0.0000 H 0 0 0
- 6.3727 0.8518 0.0000 H 0 0 0
- 6.0326 2.2853 0.0000 H 0 0 0
- 4.5991 1.9452 0.0000 H 0 0 0
- 6.1342 0.0387 0.0000 H 0 0 0
- 6.4125 1.4854 0.0000 H 0 0 0
- 4.9658 1.7637 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 14 19 1 0
- 15 20 2 0
- 16 21 1 0
- 16 22 1 0
- 16 23 1 0
- 18 24 2 0
- 19 25 1 0
- 19 26 2 0
- 21 27 1 0
- 22 28 1 0
- 27 29 1 0
- 27 30 1 0
- 27 31 1 0
- 7 12 1 0
- 9 13 1 0
- 17 21 1 0
- 28 29 1 0
- 4 32 1 0
- 5 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 10 40 1 0
- 10 41 1 0
- 11 42 1 0
- 11 43 1 0
- 11 44 1 0
- 13 45 1 0
- 13 46 1 0
- 15 47 1 0
- 17 48 1 0
- 17 49 1 0
- 18 50 1 0
- 21 51 1 0
- 22 52 1 0
- 22 53 1 0
- 23 54 1 0
- 23 55 1 0
- 23 56 1 0
- 25 57 1 0
- 25 58 1 0
- 25 59 1 0
- 28 60 1 0
- 28 61 1 0
- 29 62 1 0
- 29 63 1 0
- 30 64 1 0
- 30 65 1 0
- 30 66 1 0
- 31 67 1 0
- 31 68 1 0
- 31 69 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24280-93-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- -3.2989 0.0504 -0.6494 C 0 0 0
- -2.6794 -0.9381 0.1253 C 0 0 0
- -2.7191 1.2849 -0.7927 C 0 0 0
- -4.5744 -0.5611 -1.1729 C 0 0 0
- -1.4575 -0.6550 0.7557 C 0 0 0
- -3.5244 -2.1385 0.0933 C 0 0 0
- -1.5063 1.5631 -0.1664 C 0 0 0
- -3.3944 2.3413 -1.6287 C 0 0 0
- -4.6210 -1.9177 -0.6518 O 0 0 0
- -0.8808 0.5941 0.6047 C 0 0 0
- -0.8448 -1.6014 1.5100 O 0 0 0
- -3.2720 -3.1808 0.6654 O 0 0 0
- -0.9351 2.7856 -0.3107 O 0 0 0
- 0.4306 0.9026 1.2801 C 0 0 0
- -1.3629 3.5751 0.8010 C 0 0 0
- 1.5607 0.6793 0.3084 C 0 0 0
- 2.7775 1.0491 0.6228 C 0 0 0
- 3.8900 0.0329 0.6522 C 0 0 0
- 3.0648 2.4907 0.9549 C 0 0 0
- 4.5451 -0.0461 -0.7281 C 0 0 0
- 5.6576 -1.0623 -0.6987 C 0 0 0
- 6.3776 -1.3015 -1.8060 O 0 0 0
- 5.9014 -1.6618 0.3217 O 0 0 0
- -4.8403 0.3411 0.0000 H 0 0 0
- -5.5075 -0.6794 0.0000 H 0 0 0
- -2.6020 2.8479 0.0000 H 0 0 0
- -3.9010 3.1337 0.0000 H 0 0 0
- -4.1868 1.8347 0.0000 H 0 0 0
- -0.3337 -2.3909 0.0000 H 0 0 0
- 0.9434 1.6910 0.0000 H 0 0 0
- -0.1102 1.6721 0.0000 H 0 0 0
- -0.5360 4.0232 0.0000 H 0 0 0
- -1.8110 4.4020 0.0000 H 0 0 0
- -2.1898 3.1270 0.0000 H 0 0 0
- 1.6077 -0.2601 0.0000 H 0 0 0
- 3.0709 -0.4293 0.0000 H 0 0 0
- 4.0740 -0.8895 0.0000 H 0 0 0
- 3.9872 2.3069 0.0000 H 0 0 0
- 3.2486 3.4131 0.0000 H 0 0 0
- 2.1424 2.6745 0.0000 H 0 0 0
- 5.3642 0.4161 0.0000 H 0 0 0
- 4.3611 0.8763 0.0000 H 0 0 0
- 7.2702 -1.5980 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 10 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 2 0
- 17 18 1 0
- 17 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 6 9 1 0
- 7 10 1 0
- 4 24 1 0
- 4 25 1 0
- 8 26 1 0
- 8 27 1 0
- 8 28 1 0
- 11 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 20 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4406-41-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- 0.8910 0.4224 -0.1101 C 0 0 0
- -0.4425 0.8451 -0.1423 N 0 0 0
- 1.2670 -0.7442 -0.7625 C 0 0 0
- 1.8425 1.1720 0.5696 C 0 0 0
- -1.4228 0.0137 0.2628 C 0 0 0
- 2.5843 -1.1588 -0.7289 C 0 0 0
- 3.1577 0.7521 0.5995 C 0 0 0
- -2.8661 0.4192 0.1090 C 0 0 0
- -1.1435 -1.0608 0.7512 O 0 0 0
- 3.5279 -0.4134 -0.0465 C 0 0 0
- -3.1734 0.6598 -1.3704 C 0 0 0
- -3.7685 -0.6952 0.6426 C 0 0 0
- -0.6279 1.7683 0.0000 H 0 0 0
- 0.6034 -1.4123 0.0000 H 0 0 0
- 1.6747 2.0986 0.0000 H 0 0 0
- 2.7546 -2.0849 0.0000 H 0 0 0
- 3.8240 1.4175 0.0000 H 0 0 0
- -2.4404 1.2591 0.0000 H 0 0 0
- 4.4282 -0.6893 0.0000 H 0 0 0
- -2.5929 1.4012 0.0000 H 0 0 0
- -3.9148 1.2403 0.0000 H 0 0 0
- -3.7539 -0.0816 0.0000 H 0 0 0
- -4.5003 -0.1026 0.0000 H 0 0 0
- -4.3611 -1.4270 0.0000 H 0 0 0
- -3.0367 -1.2878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 8 12 1 0
- 7 10 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 10 19 1 0
- 11 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1878-66-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.7429 0.0079 -0.6813 C 0 0 0
- -0.0711 -1.1911 -0.5344 C 0 0 0
- -0.0694 1.2035 -0.5121 C 0 0 0
- -2.2084 0.0120 -1.0321 C 0 0 0
- 1.2746 -1.1955 -0.2181 C 0 0 0
- 1.2758 1.2004 -0.1960 C 0 0 0
- -3.0277 -0.0026 0.2326 C 0 0 0
- 1.9489 0.0004 -0.0487 C 0 0 0
- -4.3683 -0.0018 0.1640 O 0 0 0
- -2.4780 -0.0152 1.3085 O 0 0 0
- 3.6389 -0.0043 0.3484 Cl 0 0 0
- -0.5929 -2.0782 0.0000 H 0 0 0
- -0.5877 2.0927 0.0000 H 0 0 0
- -1.6974 0.9054 0.0000 H 0 0 0
- -2.7327 0.8976 0.0000 H 0 0 0
- 1.7923 -2.0850 0.0000 H 0 0 0
- 1.7969 2.0879 0.0000 H 0 0 0
- -5.3975 -0.0012 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 6 8 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146177-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -0.4312 0.2901 0.0053 C 0 0 0
- -1.6557 -0.5066 -0.0318 C 0 0 0
- -0.5393 1.7026 0.0647 C 0 0 0
- 0.7696 -0.2839 -0.0100 N 0 0 0
- -2.8873 0.1532 -0.0075 C 0 0 0
- -1.9077 -1.8341 -0.0886 N 0 0 0
- -1.8124 2.3014 0.0868 C 0 0 0
- 0.5712 2.4487 0.0993 N 0 0 0
- 1.8570 0.4705 0.0247 C 0 0 0
- -2.9409 1.5478 0.0506 C 0 0 0
- -3.8536 -0.8369 -0.0520 N 0 0 0
- -3.2038 -2.0347 -0.1008 C 0 0 0
- -1.9249 3.8029 0.1504 C 0 0 0
- 1.7491 1.8700 0.0782 C 0 0 0
- 3.1961 -0.1655 0.0082 C 0 0 0
- -5.3047 -0.6354 -0.0472 C 0 0 0
- -3.8164 -3.2697 -0.1551 N 0 0 0
- 4.2306 0.4006 -0.7357 C 0 0 0
- 3.4274 -1.3284 0.7411 C 0 0 0
- 5.4749 -0.1954 -0.7469 C 0 0 0
- 4.6762 -1.9158 0.7223 C 0 0 0
- 5.6972 -1.3526 -0.0217 C 0 0 0
- -3.8619 2.0177 0.0000 H 0 0 0
- -0.8938 3.8802 0.0000 H 0 0 0
- -2.0022 4.8340 0.0000 H 0 0 0
- -2.9560 3.7256 0.0000 H 0 0 0
- 2.6050 2.4500 0.0000 H 0 0 0
- -5.1625 0.3887 0.0000 H 0 0 0
- -6.3288 -0.4932 0.0000 H 0 0 0
- -5.4469 -1.6595 0.0000 H 0 0 0
- -4.8483 -3.3349 0.0000 H 0 0 0
- -3.2440 -4.1307 0.0000 H 0 0 0
- 4.2027 1.4342 0.0000 H 0 0 0
- 2.6130 -1.9654 0.0000 H 0 0 0
- 6.2936 0.4360 0.0000 H 0 0 0
- 4.7095 -2.9492 0.0000 H 0 0 0
- 6.6333 -1.7916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 15 18 1 0
- 15 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 7 10 2 0
- 9 14 1 0
- 11 12 1 0
- 21 22 2 0
- 10 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-119-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.0527 0.7260 -0.0028 C 0 0 0
- 0.0218 -0.6932 -0.0008 C 0 0 0
- 1.2874 1.3909 -0.0022 C 0 0 0
- -1.1718 1.4180 0.0006 C 0 0 0
- 1.2303 -1.4075 0.0016 C 0 0 0
- -1.2254 -1.3377 -0.0010 C 0 0 0
- 2.4398 0.6647 0.0002 C 0 0 0
- -2.3287 0.6990 0.0056 C 0 0 0
- 2.4107 -0.7288 0.0021 C 0 0 0
- -2.3289 -0.6268 -0.0029 N 0 0 0
- 1.3231 2.4356 0.0000 H 0 0 0
- -1.1936 2.4631 0.0000 H 0 0 0
- 1.2240 -2.4528 0.0000 H 0 0 0
- -1.2752 -2.3819 0.0000 H 0 0 0
- 3.3603 1.1602 0.0000 H 0 0 0
- -3.2423 1.2070 0.0000 H 0 0 0
- 3.3100 -1.2617 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 9 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32534-81-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -1.1934 0.0073 -0.6556 C 0 0 0
- -0.5268 -1.1974 -0.4827 C 0 0 0
- -0.5142 1.2054 -0.4817 C 0 0 0
- -2.5083 0.0143 -1.0003 O 0 0 0
- 0.8128 -1.2022 -0.1375 C 0 0 0
- -1.4488 -2.8313 -0.7194 Br 0 0 0
- 0.8249 1.1962 -0.1366 C 0 0 0
- -1.4197 2.8489 -0.7159 Br 0 0 0
- -3.2180 0.0143 0.1585 C 0 0 0
- 1.4881 -0.0067 0.0354 C 0 0 0
- 1.7216 -2.8436 0.0988 Br 0 0 0
- 1.7508 2.8279 0.1004 Br 0 0 0
- -4.6054 0.0207 0.1238 C 0 0 0
- -2.5571 0.0022 1.3782 C 0 0 0
- 3.3191 -0.0164 0.5078 Br 0 0 0
- -5.3244 0.0208 1.3031 C 0 0 0
- -3.2811 0.0024 2.5549 C 0 0 0
- -4.6631 0.0145 2.5176 C 0 0 0
- -4.6030 1.0509 0.0000 H 0 0 0
- -1.5269 -0.0074 0.0000 H 0 0 0
- -6.3546 0.0258 0.0000 H 0 0 0
- -3.2858 -1.0278 0.0000 H 0 0 0
- -4.6725 -1.0157 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 2 0
- 10 15 1 0
- 13 16 2 0
- 14 17 1 0
- 16 18 1 0
- 7 10 1 0
- 17 18 2 0
- 13 19 1 0
- 14 20 1 0
- 16 21 1 0
- 17 22 1 0
- 18 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5776-39-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -2.3639 1.2835 -0.3387 C 0 0 0
- -3.1050 0.1919 0.3003 C 0 0 0
- -1.0682 1.0559 -0.8096 C 0 0 0
- -2.9757 2.5477 -0.4599 C 0 0 0
- -2.5583 -1.0113 0.4366 N 0 3 0
- -4.4118 0.4510 0.7668 C 0 0 0
- -0.5307 -0.2231 -0.6464 C 0 0 0
- -4.2349 2.7295 0.0159 C 0 0 0
- -1.3294 -1.2676 0.0023 C 0 0 0
- -3.3276 -2.0788 1.0807 C 0 0 0
- -4.9461 1.6898 0.6150 C 0 0 0
- 0.7696 -0.5338 -1.0936 C 0 0 0
- -0.7606 -2.5508 0.1531 C 0 0 0
- 1.2557 -1.7896 -0.9155 C 0 0 0
- 0.4973 -2.7856 -0.3003 C 0 0 0
- 9.9996 0.8333 0.3797 Cl 0 0 0
- -0.4511 1.8294 0.0000 H 0 0 0
- -2.3913 3.3463 0.0000 H 0 0 0
- -5.0338 -0.3187 0.0000 H 0 0 0
- -4.6327 3.6356 0.0000 H 0 0 0
- -4.1304 -1.5003 0.0000 H 0 0 0
- -3.9061 -2.8816 0.0000 H 0 0 0
- -2.5248 -2.6573 0.0000 H 0 0 0
- -5.9311 1.7850 0.0000 H 0 0 0
- 1.4206 0.2114 0.0000 H 0 0 0
- -1.3744 -3.3270 0.0000 H 0 0 0
- 2.2355 -1.9284 0.0000 H 0 0 0
- 0.8530 -3.7090 0.0000 H 0 0 0
- 10.9892 0.8333 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 12 14 2 0
- 13 15 2 0
- 7 9 1 0
- 8 11 1 0
- 14 15 1 0
- 3 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 10 21 1 0
- 10 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-476-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 31 1 V2000
- 0.7258 -0.1091 0.0607 C 0 0 0
- -0.7258 0.1087 0.0607 C 0 0 0
- 1.5969 0.9759 0.1482 C 0 0 0
- 1.1935 -1.4365 -0.0405 C 0 0 0
- -1.5968 -0.9759 0.1482 C 0 0 0
- -1.1935 1.4366 -0.0407 C 0 0 0
- 1.0862 2.2296 0.2582 O 0 0 0
- 2.9633 0.7233 0.1372 C 0 0 0
- 0.1772 -2.4941 -0.1642 C 0 0 0
- 2.5636 -1.6666 -0.0362 C 0 0 0
- -1.0861 -2.2296 0.2583 O 0 0 0
- -2.9636 -0.7231 0.1371 C 0 0 0
- -0.1771 2.4940 -0.1645 C 0 0 0
- -2.5633 1.6666 -0.0364 C 0 0 0
- 3.4321 -0.5888 0.0495 C 0 0 0
- 3.8445 1.7549 0.2115 O 0 0 0
- 0.4620 -3.5792 -0.6341 O 0 0 0
- -3.4321 0.5886 0.0498 C 0 0 0
- -3.8448 -1.7547 0.2110 O 0 0 0
- -0.4620 3.5792 -0.6341 O 0 0 0
- 4.7728 -0.8155 0.0485 O 0 0 0
- -4.7727 0.8155 0.0488 O 0 0 0
- 2.9336 -2.6404 0.0000 H 0 0 0
- -2.9332 2.6404 0.0000 H 0 0 0
- 4.5211 2.5470 0.0000 H 0 0 0
- -4.5214 -2.5468 0.0000 H 0 0 0
- 5.8000 -0.9892 0.0000 H 0 0 0
- -5.7998 0.9893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 1 0
- 8 16 1 0
- 9 17 2 0
- 12 18 2 0
- 12 19 1 0
- 13 20 2 0
- 15 21 1 0
- 18 22 1 0
- 7 13 1 0
- 9 11 1 0
- 10 15 2 0
- 14 18 1 0
- 10 23 1 0
- 14 24 1 0
- 16 25 1 0
- 19 26 1 0
- 21 27 1 0
- 22 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-102-32-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.4557 0.2157 -0.6353 C 0 0 0
- 0.3376 -0.9082 -0.4987 C 0 0 0
- 0.0711 1.4710 -0.3943 C 0 0 0
- -1.8963 0.0726 -1.0539 C 0 0 0
- 1.6640 -0.7780 -0.1194 C 0 0 0
- 1.3936 1.6079 -0.0155 C 0 0 0
- -2.7621 -0.0815 0.1699 C 0 0 0
- 2.1942 0.4855 0.1233 C 0 0 0
- 2.4456 -1.8826 0.0159 O 0 0 0
- -4.0902 -0.2252 0.0386 O 0 0 0
- -2.2608 -0.0758 1.2692 O 0 0 0
- 3.4954 0.6184 0.4958 O 0 0 0
- -0.0820 -1.8251 0.0000 H 0 0 0
- -0.5297 2.2808 0.0000 H 0 0 0
- -1.5047 1.0018 0.0000 H 0 0 0
- -2.5257 0.8605 0.0000 H 0 0 0
- 1.8085 2.5270 0.0000 H 0 0 0
- 3.0281 -2.7058 0.0000 H 0 0 0
- -5.0927 -0.3337 0.0000 H 0 0 0
- 4.4986 0.7209 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 8 12 1 0
- 6 8 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 6 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39860-12-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.1859 0.7495 -0.0036 C 0 0 0
- 0.1378 -0.6172 -0.0013 C 0 0 0
- 0.9859 1.4380 -0.0025 N 0 0 0
- -1.5277 1.1385 -0.0013 C 0 0 0
- 1.5214 -0.6854 0.0011 N 0 0 0
- -0.8718 -1.5677 -0.0023 C 0 0 0
- 1.9900 0.5971 0.0003 C 0 0 0
- -2.5172 0.1811 0.0031 C 0 0 0
- 2.3311 -1.9063 0.0041 C 0 0 0
- -2.1920 -1.1673 -0.0055 C 0 0 0
- 3.3220 0.9539 0.0018 N 0 0 0
- -3.9644 0.6014 0.0061 C 0 0 0
- -1.7781 2.1468 0.0000 H 0 0 0
- -0.6345 -2.5792 0.0000 H 0 0 0
- 1.4653 -2.4805 0.0000 H 0 0 0
- 2.9053 -2.7722 0.0000 H 0 0 0
- 3.1969 -1.3321 0.0000 H 0 0 0
- -2.9476 -1.8804 0.0000 H 0 0 0
- 4.0566 0.2192 0.0000 H 0 0 0
- 3.5910 1.9574 0.0000 H 0 0 0
- -3.6746 1.5991 0.0000 H 0 0 0
- -4.9621 0.8912 0.0000 H 0 0 0
- -4.2542 -0.3963 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 5 7 1 0
- 8 10 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 12 21 1 0
- 12 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-935-95-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.0002 -1.1966 -0.0009 C 0 0 0
- -1.2012 -0.5018 -0.0007 C 0 0 0
- 1.2012 -0.5016 -0.0006 C 0 0 0
- -0.0002 -2.5561 0.0042 O 0 0 0
- -1.1988 0.8821 -0.0002 C 0 0 0
- -2.7058 -1.3678 -0.0005 Cl 0 0 0
- 1.1988 0.8819 -0.0001 C 0 0 0
- 2.7058 -1.3676 -0.0014 Cl 0 0 0
- -0.0001 1.5727 -0.0003 C 0 0 0
- -2.7010 1.7521 0.0001 Cl 0 0 0
- 2.7011 1.7518 0.0009 Cl 0 0 0
- -0.0002 -3.5967 0.0000 H 0 0 0
- -0.0001 2.6133 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 7 9 1 0
- 4 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62-73-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 1.6863 -0.1520 -0.1466 P 0 0 0
- 0.2607 0.5961 -0.1340 O 0 0 0
- 2.8411 0.9003 -0.5353 O 0 0 0
- 1.9852 -0.7619 1.3131 O 0 0 0
- 1.6604 -1.2463 -1.1427 O 0 0 0
- -0.6905 -0.3724 -0.0805 C 0 0 0
- 4.0215 0.1394 -0.7991 C 0 0 0
- 1.8692 0.3167 2.2432 C 0 0 0
- -1.9667 -0.0424 -0.0587 C 0 0 0
- -3.1822 -1.2800 0.0097 Cl 0 0 0
- -2.4318 1.6297 -0.0985 Cl 0 0 0
- -0.4136 -1.3704 0.0000 H 0 0 0
- 3.4604 -0.7311 0.0000 H 0 0 0
- 4.8920 -0.4217 0.0000 H 0 0 0
- 4.5826 1.0099 0.0000 H 0 0 0
- 2.8990 0.4274 0.0000 H 0 0 0
- 1.7585 1.3465 0.0000 H 0 0 0
- 0.8394 0.2060 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 9 10 1 0
- 9 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.9696 0.0001 0.0021 C 0 0 0
- -0.2783 -1.1972 0.0012 C 0 0 0
- -0.2786 1.1971 0.0013 C 0 0 0
- -2.4766 0.0000 -0.0024 C 0 0 0
- 1.1039 -1.1972 -0.0004 C 0 0 0
- 1.1040 1.1971 -0.0004 C 0 0 0
- 1.7951 0.0002 -0.0013 C 0 0 0
- -0.7967 -2.0952 0.0000 H 0 0 0
- -0.7971 2.0951 0.0000 H 0 0 0
- -2.4767 1.0369 0.0000 H 0 0 0
- -3.5135 -0.0001 0.0000 H 0 0 0
- -2.4765 -1.0369 0.0000 H 0 0 0
- 1.6224 -2.0952 0.0000 H 0 0 0
- 1.6224 2.0951 0.0000 H 0 0 0
- 2.8320 0.0003 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1194-65-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.0001 -0.2117 -0.0014 C 0 0 0
- -1.2083 0.4908 -0.0003 C 0 0 0
- 1.2085 0.4908 -0.0003 C 0 0 0
- -0.0003 -1.6437 0.0022 C 0 0 0
- -1.1999 1.8718 0.0019 C 0 0 0
- -2.7157 -0.3703 -0.0023 Cl 0 0 0
- 1.2004 1.8714 0.0020 C 0 0 0
- 2.7158 -0.3706 -0.0022 Cl 0 0 0
- -0.0004 -2.7797 0.0051 N 0 0 0
- 0.0001 2.5597 0.0030 C 0 0 0
- -2.1007 2.3974 0.0000 H 0 0 0
- 2.1013 2.3969 0.0000 H 0 0 0
- 0.0002 3.6027 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 3 0
- 5 10 2 0
- 7 10 1 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3153-55-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 1.0028 -0.1147 -0.1450 C 0 0 0
- -0.3685 -0.3769 -0.1296 C 0 0 0
- 1.4880 1.3101 -0.1608 C 0 0 1
- 1.8993 -1.1629 -0.1514 C 0 0 0
- -1.3233 0.7569 -0.1510 C 0 0 0
- -0.8343 -1.6901 -0.0889 C 0 0 0
- 0.5551 2.2132 0.6431 C 0 0 0
- 2.8332 1.3739 0.4271 N 0 0 0
- 1.4354 -2.4701 -0.1039 C 0 0 0
- 3.3817 -0.9275 -0.2389 C 0 0 0
- -0.8736 2.0247 0.2150 C 0 0 0
- -2.6485 0.5689 -0.5293 C 0 0 0
- 0.0782 -2.7389 -0.0697 C 0 0 0
- -2.1698 -1.9432 -0.0677 O 0 0 0
- 3.7071 0.5486 -0.4061 C 0 0 0
- 3.2938 2.7608 0.2776 C 0 0 0
- -1.7461 3.0933 0.1906 C 0 0 0
- -3.5138 1.6452 -0.5459 C 0 0 0
- -0.3615 -4.0249 -0.0197 O 0 0 0
- -2.5320 -2.1356 1.3012 C 0 0 0
- -3.0628 2.9034 -0.1890 C 0 0 0
- 1.8535 2.2786 0.0000 H 0 0 0
- 1.4221 2.7789 0.0000 H 0 0 0
- 0.1956 3.1840 0.0000 H 0 0 0
- 2.1123 -3.2534 0.0000 H 0 0 0
- 3.4155 -1.9622 0.0000 H 0 0 0
- 4.4125 -1.0228 0.0000 H 0 0 0
- -3.0290 -0.3939 0.0000 H 0 0 0
- 4.6618 0.1484 0.0000 H 0 0 0
- 4.2717 1.4163 0.0000 H 0 0 0
- 4.2762 2.4345 0.0000 H 0 0 0
- 3.6201 3.7432 0.0000 H 0 0 0
- 2.3114 3.0871 0.0000 H 0 0 0
- -1.3704 4.0579 0.0000 H 0 0 0
- -4.5347 1.4736 0.0000 H 0 0 0
- -0.6964 -5.0044 0.0000 H 0 0 0
- -3.0176 -1.2214 0.0000 H 0 0 0
- -3.4462 -2.6212 0.0000 H 0 0 0
- -2.0464 -3.0498 0.0000 H 0 0 0
- -3.7177 3.7051 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 11 17 1 0
- 12 18 2 0
- 13 19 1 0
- 14 20 1 0
- 17 21 2 0
- 7 11 1 0
- 9 13 1 0
- 10 15 1 0
- 18 21 1 0
- 3 22 1 0
- 7 23 1 0
- 7 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-96-13-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 11 1 V2000
- -0.6980 0.9048 -0.1881 C 0 0 0
- -1.8460 1.7709 0.3342 C 0 0 0
- 0.5786 1.2258 0.5916 C 0 0 0
- -1.1499 -0.9939 0.0476 Br 0 0 0
- -3.0384 1.4711 -0.3941 O 0 0 0
- 2.0538 0.1129 -0.0796 Br 0 0 0
- -0.4837 1.9619 0.0000 H 0 0 0
- -1.0200 2.4644 0.0000 H 0 0 0
- -2.3367 2.7313 0.0000 H 0 0 0
- 1.4046 1.9193 0.0000 H 0 0 0
- 0.0878 2.1862 0.0000 H 0 0 0
- -4.0844 1.2081 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35212-22-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 39 1 V2000
- 0.9486 0.7138 -0.4645 C 0 0 0
- 0.4763 -0.6111 -0.4675 C 0 0 0
- 2.3172 0.9437 -0.4670 C 0 0 0
- 0.0733 1.7397 -0.4649 O 0 0 0
- -0.9827 -0.8261 -0.4545 C 0 0 0
- 1.3716 -1.6803 -0.4791 C 0 0 0
- 3.1941 -0.1280 -0.4763 C 0 0 0
- -1.2246 1.5812 -0.1827 C 0 0 0
- -1.8146 0.3561 -0.1626 C 0 0 0
- -1.4738 -1.9201 -0.6734 O 0 0 0
- 2.7158 -1.4368 -0.4835 C 0 0 0
- 4.5325 0.0985 -0.4785 O 0 0 0
- -3.2588 0.2126 0.1433 C 0 0 0
- 4.9446 0.1519 0.8887 C 0 0 0
- -4.2099 0.8355 -0.6632 C 0 0 0
- -3.6701 -0.5501 1.2346 C 0 0 0
- 5.9862 -0.9378 1.1503 C 0 0 0
- 5.5559 1.5231 1.1839 C 0 0 0
- -5.5522 0.6981 -0.3741 C 0 0 0
- -5.0155 -0.6805 1.5143 C 0 0 0
- -5.9546 -0.0560 0.7137 C 0 0 0
- 2.6758 1.8984 0.0000 H 0 0 0
- 1.0245 -2.6393 0.0000 H 0 0 0
- -1.8186 2.4102 0.0000 H 0 0 0
- 3.3726 -2.2169 0.0000 H 0 0 0
- 4.6049 -0.8097 0.0000 H 0 0 0
- -3.9686 1.8264 0.0000 H 0 0 0
- -3.1057 -1.3995 0.0000 H 0 0 0
- 5.2490 -1.6425 0.0000 H 0 0 0
- 6.6909 -1.6750 0.0000 H 0 0 0
- 6.7234 -0.2331 0.0000 H 0 0 0
- 6.4874 1.1078 0.0000 H 0 0 0
- 5.9712 2.4546 0.0000 H 0 0 0
- 4.6244 1.9384 0.0000 H 0 0 0
- -6.1207 1.5448 0.0000 H 0 0 0
- -5.2630 -1.6698 0.0000 H 0 0 0
- -6.9435 -0.3052 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 14 17 1 0
- 14 18 1 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 7 11 1 0
- 8 9 2 0
- 20 21 2 0
- 3 22 1 0
- 6 23 1 0
- 8 24 1 0
- 11 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-117929-12-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 0.7315 -0.0037 -0.0260 C 0 0 0
- -0.7316 -0.0038 0.0228 C 0 0 0
- 1.4162 1.2274 0.0219 C 0 0 0
- 1.4250 -1.2074 -0.1620 C 0 0 0
- -1.4163 1.2272 -0.0249 C 0 0 0
- -1.4247 -1.2077 0.1591 C 0 0 0
- 2.8174 1.2102 0.0571 C 0 0 0
- 0.6755 2.4322 0.0147 C 0 0 0
- 2.7896 -1.1877 -0.1391 C 0 0 0
- 0.6631 -2.4858 -0.3793 C 0 0 0
- -2.8176 1.2102 -0.0570 C 0 0 0
- -0.6756 2.4321 -0.0205 C 0 0 0
- -2.7894 -1.1878 0.1387 C 0 0 0
- -0.6626 -2.4864 0.3738 C 0 0 0
- 3.4763 0.0165 -0.0194 C 0 0 0
- -3.4763 0.0165 0.0208 C 0 0 0
- 4.9558 0.0035 0.0254 N 0 3 0
- -4.9559 0.0034 -0.0212 N 0 3 0
- 5.5578 -1.0532 -0.0418 O 0 0 0
- 5.5711 1.0494 0.1295 O 0 5 0
- -5.5577 -1.0533 0.0471 O 0 0 0
- -5.5714 1.0494 -0.1242 O 0 5 0
- 3.3525 2.1042 0.0000 H 0 0 0
- 1.1839 3.3416 0.0000 H 0 0 0
- 3.3194 -2.0848 0.0000 H 0 0 0
- 0.4778 -3.5111 0.0000 H 0 0 0
- 1.6389 -2.8510 0.0000 H 0 0 0
- -3.3527 2.1042 0.0000 H 0 0 0
- -1.1841 3.3415 0.0000 H 0 0 0
- -3.3193 -2.0849 0.0000 H 0 0 0
- -1.6382 -2.8519 0.0000 H 0 0 0
- -0.4766 -3.5115 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 11 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 17 20 1 0
- 18 21 2 0
- 18 22 1 0
- 8 12 2 0
- 9 15 1 0
- 10 14 1 0
- 13 16 1 0
- 7 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 14 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1613-37-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.4805 0.9496 -0.0027 C 0 0 0
- -0.0081 -0.3864 -0.0016 C 0 0 0
- 0.4522 2.0033 -0.0020 C 0 0 0
- -1.8630 1.1967 0.0014 C 0 0 0
- 1.3076 -0.6268 0.0006 N 0 3 0
- -0.9386 -1.4403 -0.0022 C 0 0 0
- 1.7814 1.6881 -0.0002 C 0 0 0
- -2.7335 0.1501 0.0063 C 0 0 0
- 2.1796 0.3535 0.0021 C 0 0 0
- 1.7685 -1.9657 0.0016 O 0 5 0
- -2.2710 -1.1646 -0.0039 C 0 0 0
- 0.1367 2.9994 0.0000 H 0 0 0
- -2.2214 2.1782 0.0000 H 0 0 0
- -0.6082 -2.4316 0.0000 H 0 0 0
- 2.4989 2.4478 0.0000 H 0 0 0
- -3.7619 0.3349 0.0000 H 0 0 0
- 3.1997 0.1270 0.0000 H 0 0 0
- -2.9586 -1.9513 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 9 2 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86-42-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- 2.4894 -0.6745 -0.3462 C 0 0 0
- 1.3709 -1.5406 -0.3998 C 0 0 0
- 3.6563 -1.1047 0.3293 C 0 0 0
- 2.4585 0.5942 -0.9414 C 0 0 0
- 0.2054 -1.1643 -1.0503 N 0 0 0
- 1.4777 -2.7769 0.2182 C 0 0 0
- 4.7684 -0.2475 0.3845 C 0 0 0
- 3.6889 -2.3130 0.9035 N 0 0 0
- 3.5547 1.3997 -0.8685 C 0 0 0
- -0.7475 -0.3854 -0.3841 C 0 0 0
- 2.6579 -3.1246 0.8609 C 0 0 0
- 4.7080 0.9774 -0.2093 C 0 0 0
- -1.9721 -0.1215 -0.9844 C 0 0 0
- -0.4716 0.1195 0.8797 C 0 0 0
- 6.0858 2.0311 -0.1372 Cl 0 0 0
- -2.9116 0.6471 -0.3265 C 0 0 0
- -1.4126 0.8881 1.5364 C 0 0 0
- -4.2404 0.9331 -0.9773 C 0 0 0
- -2.6328 1.1558 0.9338 C 0 0 0
- -5.2892 0.1456 -0.3157 N 0 0 0
- -3.5588 1.9127 1.5811 O 0 0 0
- -6.5714 0.7702 -0.6675 C 0 0 0
- -5.2799 -1.1822 -0.9441 C 0 0 0
- -7.2580 1.2757 0.6029 C 0 0 0
- -5.2391 -2.2598 0.1412 C 0 0 0
- 1.6231 1.0043 0.0000 H 0 0 0
- -0.2398 -1.9816 0.0000 H 0 0 0
- 0.7571 -3.3659 0.0000 H 0 0 0
- 5.6134 -0.6375 0.0000 H 0 0 0
- 3.4236 2.3211 0.0000 H 0 0 0
- 2.8338 -4.0385 0.0000 H 0 0 0
- -2.3760 -0.9599 0.0000 H 0 0 0
- 0.4418 0.2979 0.0000 H 0 0 0
- -1.0074 1.7260 0.0000 H 0 0 0
- -3.8354 1.7710 0.0000 H 0 0 0
- -4.9591 1.5244 0.0000 H 0 0 0
- -4.2794 2.5017 0.0000 H 0 0 0
- -7.3999 0.3462 0.0000 H 0 0 0
- -6.5622 -0.1604 0.0000 H 0 0 0
- -6.0938 -0.7309 0.0000 H 0 0 0
- -6.0728 -1.6696 0.0000 H 0 0 0
- -6.7062 2.0252 0.0000 H 0 0 0
- -8.0075 1.8275 0.0000 H 0 0 0
- -7.8098 0.5262 0.0000 H 0 0 0
- -6.1691 -2.2950 0.0000 H 0 0 0
- -5.2039 -3.1898 0.0000 H 0 0 0
- -4.3091 -2.2246 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 2 0
- 10 13 1 0
- 10 14 2 0
- 12 15 1 0
- 13 16 2 0
- 14 17 1 0
- 16 18 1 0
- 16 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 20 23 1 0
- 22 24 1 0
- 23 25 1 0
- 8 11 2 0
- 9 12 1 0
- 17 19 2 0
- 4 26 1 0
- 5 27 1 0
- 6 28 1 0
- 7 29 1 0
- 9 30 1 0
- 11 31 1 0
- 13 32 1 0
- 14 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
- 25 45 1 0
- 25 46 1 0
- 25 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-95-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -2.8339 0.4605 -0.4333 C 0 0 0
- -2.6772 -0.6803 0.3861 C 0 0 0
- -1.7401 1.2424 -0.5640 N 0 0 0
- -4.1124 0.6453 -1.0085 C 0 0 0
- -0.9829 -0.5454 0.9037 S 0 0 0
- -3.6947 -1.5714 0.6177 C 0 0 0
- -0.6004 0.9660 0.0298 C 0 0 0
- -5.1242 -0.2474 -0.7679 C 0 0 0
- -4.9314 -1.3624 0.0347 C 0 0 0
- 0.9181 1.8581 -0.0228 S 0 0 0
- 2.3075 1.2739 0.8666 N 0 0 0
- 3.0444 0.3828 -0.0394 C 0 0 0
- 4.5349 0.4261 0.3035 C 0 0 0
- 2.5260 -1.0479 0.1191 C 0 0 0
- 5.3025 -0.5020 -0.6401 C 0 0 0
- 3.2936 -1.9760 -0.8245 C 0 0 0
- 4.7840 -1.9327 -0.4815 C 0 0 0
- -4.4015 1.6151 0.0000 H 0 0 0
- -3.4190 -2.5451 0.0000 H 0 0 0
- -6.0788 0.0885 0.0000 H 0 0 0
- -5.6456 -2.0793 0.0000 H 0 0 0
- 2.9110 2.0863 0.0000 H 0 0 0
- 3.4620 1.3046 0.0000 H 0 0 0
- 5.4370 0.8847 0.0000 H 0 0 0
- 4.2848 1.4067 0.0000 H 0 0 0
- 1.6503 -0.5407 0.0000 H 0 0 0
- 1.8722 -1.8204 0.0000 H 0 0 0
- 6.1782 -1.0093 0.0000 H 0 0 0
- 5.9563 0.2704 0.0000 H 0 0 0
- 2.3915 -2.4346 0.0000 H 0 0 0
- 3.5437 -2.9566 0.0000 H 0 0 0
- 4.6865 -2.9400 0.0000 H 0 0 0
- 5.7711 -2.1556 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 5 7 1 0
- 8 9 1 0
- 16 17 1 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-82-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 22 1 V2000
- -0.4093 -0.0358 -0.0021 C 0 0 0
- 0.2851 -1.1278 -0.0013 C 0 0 0
- 0.4028 1.1801 -0.0011 C 0 0 0
- -1.8718 0.0229 0.0017 C 0 0 0
- 1.7145 -0.7735 0.0004 C 0 0 0
- -0.4637 -2.4012 -0.0021 C 0 0 0
- 1.8007 0.7110 0.0003 C 0 0 0
- -0.2190 2.3345 -0.0008 C 0 0 0
- -2.5385 -1.1064 0.0063 C 0 0 0
- -2.4806 1.3642 0.0007 C 0 0 0
- 2.6424 -1.5439 0.0019 O 0 0 0
- -1.7829 -2.3770 -0.0038 C 0 0 0
- 2.7998 1.3865 0.0008 O 0 0 0
- -1.6875 2.4186 -0.0017 C 0 0 0
- 0.0723 -3.3585 0.0000 H 0 0 0
- 0.3703 3.2600 0.0000 H 0 0 0
- -3.6357 -1.1082 0.0000 H 0 0 0
- -3.5712 1.4840 0.0000 H 0 0 0
- -2.3341 -3.3257 0.0000 H 0 0 0
- -2.1492 3.4139 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 5 7 1 0
- 9 12 1 0
- 10 14 2 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 14 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1086-00-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- -0.2895 -0.4448 -0.1733 C 0 0 0
- -1.5866 0.2377 -0.0322 C 0 0 0
- 0.8013 0.2473 -0.4019 C 0 0 0
- -0.2504 -1.9127 -0.0455 C 0 0 0
- -1.6620 1.5435 -0.1341 C 0 0 0
- -2.7862 -0.5794 0.2246 C 0 0 0
- 2.0879 -0.4560 -0.5394 C 0 0 0
- 0.7217 1.7134 -0.5176 C 0 0 0
- -1.4971 -2.6473 0.2163 C 0 0 0
- 0.9000 -2.5381 -0.1687 C 0 0 0
- -0.4402 2.3249 -0.3905 C 0 0 0
- -2.9697 2.2052 0.0106 C 0 0 0
- -2.6546 -2.0401 0.3311 C 0 0 0
- -3.9526 0.0144 0.3534 C 0 0 0
- 2.1293 -1.7684 -0.4317 C 0 0 0
- 3.3514 0.3220 -0.8026 C 0 0 0
- -4.0461 1.4811 0.2399 C 0 0 0
- 4.1140 0.7783 0.7661 Cl 0 0 0
- 1.6373 2.3006 0.0000 H 0 0 0
- -1.4703 -3.7347 0.0000 H 0 0 0
- 0.9334 -3.6253 0.0000 H 0 0 0
- -0.4862 3.4117 0.0000 H 0 0 0
- -3.0370 3.2908 0.0000 H 0 0 0
- -3.5592 -2.6442 0.0000 H 0 0 0
- -4.8614 -0.5833 0.0000 H 0 0 0
- 3.0891 -2.2802 0.0000 H 0 0 0
- 3.3298 1.4095 0.0000 H 0 0 0
- 2.3966 0.8430 0.0000 H 0 0 0
- -5.0220 1.9615 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 12 17 2 0
- 16 18 1 0
- 8 11 2 0
- 9 13 2 0
- 10 15 1 0
- 14 17 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-612-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- 0.4000 -0.0725 0.0643 C 0 0 0
- -0.9923 -0.1127 0.1600 N 0 0 0
- 1.1838 -0.5214 1.1201 C 0 0 0
- 1.0052 0.4113 -1.0896 C 0 0 0
- -1.7009 0.8896 0.9598 C 0 0 0
- -1.6549 -1.0324 -0.4558 N 0 0 0
- 2.5608 -0.4806 1.0217 C 0 0 0
- 2.3823 0.4492 -1.1808 C 0 0 0
- -2.0799 2.0761 0.0712 C 0 0 0
- -2.8695 -1.0675 -0.3723 O 0 0 0
- 3.1595 0.0063 -0.1257 C 0 0 0
- 0.9625 -1.4055 0.0000 H 0 0 0
- 0.6919 1.2671 0.0000 H 0 0 0
- -2.6065 0.9918 0.0000 H 0 0 0
- -2.1647 0.1051 0.0000 H 0 0 0
- 2.8786 -1.3347 0.0000 H 0 0 0
- 2.6035 1.3333 0.0000 H 0 0 0
- -1.2118 2.3534 0.0000 H 0 0 0
- -2.3572 2.9442 0.0000 H 0 0 0
- -2.9480 1.7988 0.0000 H 0 0 0
- 4.0677 0.0813 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-698-63-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.7135 0.1628 -0.0029 C 0 0 0
- -0.2670 -0.7481 -0.0032 O 0 0 0
- 0.1668 1.4003 -0.0001 C 0 0 0
- 2.1632 -0.1357 0.0002 N 0 3 0
- -1.4627 -0.1209 -0.0005 C 0 0 0
- -1.2251 1.2391 0.0015 C 0 0 0
- 2.9724 0.7746 0.0001 O 0 0 0
- 2.5469 -1.2917 0.0028 O 0 5 0
- -2.7307 -0.7450 -0.0005 C 0 0 0
- -3.7399 -0.0695 0.0020 O 0 0 0
- 0.6702 2.2801 0.0000 H 0 0 0
- -1.9209 1.9762 0.0000 H 0 0 0
- -2.7978 -1.7564 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 2 0
- 5 6 2 0
- 3 11 1 0
- 6 12 1 0
- 9 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31876-38-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 9 1 V2000
- -0.0279 0.6882 0.0014 C 0 0 0
- -1.0645 -0.3870 0.0000 C 0 0 0
- 1.0038 -0.3791 0.0000 C 0 0 0
- -0.0286 1.9023 -0.0009 O 0 0 0
- 0.0294 -1.3689 -0.0013 C 0 0 0
- -2.2796 -0.4309 0.0004 O 0 0 0
- 2.3526 -0.3853 0.0004 O 0 0 0
- 0.0616 -2.4101 0.0000 H 0 0 0
- 3.3943 -0.3901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 5 2 0
- 5 8 1 0
- 7 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62450-06-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -0.0758 0.4830 0.0019 C 0 0 0
- -0.5801 -0.8317 0.0004 C 0 0 0
- 1.3930 0.3638 0.0016 C 0 0 0
- -0.9612 1.5527 -0.0016 C 0 0 0
- 0.4830 -1.7070 -0.0008 N 0 0 0
- -1.9609 -1.0036 0.0008 C 0 0 0
- 1.6800 -1.0094 -0.0001 C 0 0 0
- 2.4305 1.2929 0.0021 C 0 0 0
- -2.2628 1.3415 -0.0064 N 0 0 0
- -0.4314 2.9635 0.0005 C 0 0 0
- -2.7764 0.1178 0.0027 C 0 0 0
- -2.5604 -2.3862 -0.0012 C 0 0 0
- 3.0067 -1.4278 -0.0015 C 0 0 0
- 3.7388 0.8590 0.0010 C 0 0 0
- -4.1581 -0.0428 0.0026 N 0 0 0
- 4.0241 -0.4976 -0.0012 C 0 0 0
- 0.3991 -2.7460 0.0000 H 0 0 0
- 2.2183 2.3134 0.0000 H 0 0 0
- 0.5444 2.5971 0.0000 H 0 0 0
- -0.0650 3.9393 0.0000 H 0 0 0
- -1.4072 3.3299 0.0000 H 0 0 0
- -3.5167 -1.9715 0.0000 H 0 0 0
- -2.9751 -3.3425 0.0000 H 0 0 0
- -1.6041 -2.8009 0.0000 H 0 0 0
- 3.2317 -2.4456 0.0000 H 0 0 0
- 4.5163 1.5533 0.0000 H 0 0 0
- -4.7800 0.7937 0.0000 H 0 0 0
- -4.5716 -0.9996 0.0000 H 0 0 0
- 5.0163 -0.8170 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 1 0
- 13 16 2 0
- 5 7 1 0
- 9 11 1 0
- 14 16 1 0
- 5 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-80-05-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 34 1 V2000
- 0.0398 -1.5221 -0.0257 C 0 0 0
- -1.2127 -0.6841 -0.0146 C 0 0 0
- 1.2474 -0.6207 -0.0065 C 0 0 0
- 0.0591 -2.4269 1.2079 C 0 0 0
- 0.0662 -2.3831 -1.2902 C 0 0 0
- -1.7264 -0.1952 -1.2012 C 0 0 0
- -1.8494 -0.4104 1.1821 C 0 0 0
- 2.5170 -1.1674 -0.0281 C 0 0 0
- 1.0837 0.7520 0.0270 C 0 0 0
- -2.8748 0.5729 -1.1938 C 0 0 0
- -2.9978 0.3570 1.1949 C 0 0 0
- 3.6257 -0.3432 -0.0110 C 0 0 0
- 2.1888 1.5803 0.0442 C 0 0 0
- -3.5124 0.8533 0.0058 C 0 0 0
- 3.4642 1.0339 0.0279 C 0 0 0
- -4.6420 1.6089 0.0158 O 0 0 0
- 4.5532 1.8467 0.0452 O 0 0 0
- -0.9765 -2.4490 0.0000 H 0 0 0
- 0.0812 -3.4625 0.0000 H 0 0 0
- 1.0947 -2.4048 0.0000 H 0 0 0
- -0.9692 -2.4148 0.0000 H 0 0 0
- 0.0979 -3.4185 0.0000 H 0 0 0
- 1.1016 -2.3514 0.0000 H 0 0 0
- -1.0790 0.6134 0.0000 H 0 0 0
- -2.3438 -1.3207 0.0000 H 0 0 0
- 2.6372 -2.1962 0.0000 H 0 0 0
- 0.1314 1.1596 0.0000 H 0 0 0
- -2.3764 1.4810 0.0000 H 0 0 0
- -3.6477 -0.4496 0.0000 H 0 0 0
- 4.5768 -0.7536 0.0000 H 0 0 0
- 2.0656 2.6088 0.0000 H 0 0 0
- -5.5030 2.1848 0.0000 H 0 0 0
- 5.3833 2.4663 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 10 14 2 0
- 12 15 2 0
- 14 16 1 0
- 15 17 1 0
- 11 14 1 0
- 13 15 1 0
- 4 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 16 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2304-85-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.7360 -0.2452 0.0019 C 0 0 0
- -0.7360 -0.2452 0.0014 C 0 0 0
- 1.3986 0.8870 0.0008 C 0 0 0
- 1.4362 -1.5422 -0.0025 C 0 0 0
- -1.3985 0.8870 -0.0001 C 0 0 0
- -1.4362 -1.5422 0.0022 C 0 0 0
- 0.6597 2.1610 -0.0006 C 0 0 0
- 2.8711 0.8619 0.0014 C 0 0 0
- 0.7348 -2.6521 -0.0073 C 0 0 0
- 2.9085 -1.5637 -0.0020 C 0 0 0
- -0.6597 2.1610 -0.0009 C 0 0 0
- -2.8711 0.8619 -0.0005 C 0 0 0
- -0.7349 -2.6521 0.0036 C 0 0 0
- -2.9085 -1.5637 0.0019 C 0 0 0
- 3.5803 -0.4306 0.0032 C 0 0 0
- 3.4943 1.8945 -0.0001 O 0 0 0
- -3.5803 -0.4306 0.0009 C 0 0 0
- -3.4942 1.8945 -0.0023 O 0 0 0
- 1.2108 3.1176 0.0000 H 0 0 0
- 1.2676 -3.6190 0.0000 H 0 0 0
- 3.4479 -2.5269 0.0000 H 0 0 0
- -1.2108 3.1176 0.0000 H 0 0 0
- -1.2677 -3.6190 0.0000 H 0 0 0
- -3.4479 -2.5269 0.0000 H 0 0 0
- 4.6841 -0.4490 0.0000 H 0 0 0
- -4.6841 -0.4490 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 8 15 1 0
- 8 16 2 0
- 12 17 1 0
- 12 18 2 0
- 7 11 2 0
- 9 13 1 0
- 10 15 2 0
- 14 17 2 0
- 7 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 17 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19337-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.5233 1.3156 -0.0911 C 0 0 0
- 1.7049 0.4538 -0.0602 C 0 0 0
- 0.6493 2.5243 -0.0153 O 0 0 0
- -0.8218 0.7201 -0.2202 C 0 0 0
- 2.9352 0.9986 0.0523 C 0 0 0
- -1.9518 1.5421 -0.2499 C 0 0 0
- -0.9674 -0.6669 -0.3189 C 0 0 0
- 4.1235 0.1318 0.0834 C 0 0 0
- -3.2043 0.9836 -0.3704 C 0 0 0
- -2.2225 -1.2186 -0.4392 C 0 0 0
- 5.3997 0.6923 0.1999 C 0 0 0
- 3.9827 -1.2578 0.0023 C 0 0 0
- -3.3461 -0.3975 -0.4626 C 0 0 0
- 6.5085 -0.1270 0.2282 C 0 0 0
- 5.1011 -2.0632 0.0320 C 0 0 0
- -4.6162 -0.9598 -0.5841 N 0 0 0
- 6.3611 -1.5003 0.1418 C 0 0 0
- -5.5709 -0.6702 0.3221 C 0 0 0
- -6.9785 -1.1686 0.1191 C 0 0 0
- -5.2971 -0.0084 1.3009 O 0 0 0
- 1.5941 -0.5816 0.0000 H 0 0 0
- 3.0461 2.0340 0.0000 H 0 0 0
- -1.8429 2.5777 0.0000 H 0 0 0
- -0.1264 -1.2809 0.0000 H 0 0 0
- -4.0476 1.5944 0.0000 H 0 0 0
- -2.3352 -2.2538 0.0000 H 0 0 0
- 5.5153 1.7271 0.0000 H 0 0 0
- 3.0331 -1.6851 0.0000 H 0 0 0
- 7.4619 0.2916 0.0000 H 0 0 0
- 4.9951 -3.0991 0.0000 H 0 0 0
- -4.5526 -1.9991 0.0000 H 0 0 0
- 7.2032 -2.1127 0.0000 H 0 0 0
- -7.3260 -0.1870 0.0000 H 0 0 0
- -7.9601 -1.5161 0.0000 H 0 0 0
- -6.6310 -2.1502 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 2 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 11 1 0
- 15 12 2 0
- 16 13 1 0
- 17 14 2 0
- 18 16 1 0
- 19 18 1 0
- 20 18 2 0
- 10 13 1 0
- 15 17 1 0
- 2 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 9 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-79-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.5415 -0.0025 -0.0014 C 0 0 0
- -0.6367 0.6406 0.0008 O 0 0 0
- 1.8282 0.7820 0.0001 C 0 0 0
- 0.5704 -1.2104 0.0005 O 0 0 0
- -1.7125 -0.0153 -0.0004 O 0 0 0
- 2.3362 -0.0512 0.0000 H 0 0 0
- 2.6614 1.2900 0.0000 H 0 0 0
- 1.3202 1.6152 0.0000 H 0 0 0
- -2.5457 -0.5233 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-968-81-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- -0.6586 2.4200 -0.0684 S 0 0 0
- -1.6952 0.9954 -0.0434 C 0 0 0
- 0.7909 1.9894 0.6070 N 0 0 0
- -0.3852 2.6746 -1.4394 O 0 0 0
- -1.2479 3.3423 0.8378 O 0 0 0
- -2.5104 0.7565 1.0490 C 0 0 0
- -1.6942 0.1243 -1.1192 C 0 0 0
- 1.5263 1.0049 0.0535 C 0 0 0
- -3.3249 -0.3560 1.0759 C 0 0 0
- -2.5028 -0.9922 -1.1074 C 0 0 0
- 2.7059 0.6545 0.6031 N 0 0 0
- 1.1255 0.4329 -0.9418 O 0 0 0
- -3.3257 -1.2436 -0.0046 C 0 0 0
- 3.5052 -0.4157 0.0014 C 0 0 0
- -4.1919 -2.4332 0.0160 C 0 0 0
- 4.9896 -0.1517 0.2622 C 0 0 0
- 3.1094 -1.7576 0.6207 C 0 0 0
- -4.1897 -3.3872 -1.1506 C 0 0 0
- -4.9074 -2.6456 0.9716 O 0 0 0
- 5.8244 -1.2693 -0.3662 C 0 0 0
- 3.9443 -2.8753 -0.0077 C 0 0 0
- 5.4286 -2.6113 0.2531 C 0 0 0
- 1.3640 2.8111 0.0000 H 0 0 0
- -3.0859 1.5765 0.0000 H 0 0 0
- -0.7410 -0.1840 0.0000 H 0 0 0
- -4.2770 -0.0443 0.0000 H 0 0 0
- -1.9205 -1.8074 0.0000 H 0 0 0
- 3.2790 1.4762 0.0000 H 0 0 0
- 2.5191 -0.5924 0.0000 H 0 0 0
- 5.8752 0.3166 0.0000 H 0 0 0
- 4.6638 0.7957 0.0000 H 0 0 0
- 2.2307 -1.2765 0.0000 H 0 0 0
- 2.4525 -2.5140 0.0000 H 0 0 0
- -5.1915 -3.3895 0.0000 H 0 0 0
- -4.1874 -4.3890 0.0000 H 0 0 0
- -3.1879 -3.3849 0.0000 H 0 0 0
- 6.7031 -1.7504 0.0000 H 0 0 0
- 6.4813 -0.5129 0.0000 H 0 0 0
- 3.0587 -3.3436 0.0000 H 0 0 0
- 4.2701 -3.8227 0.0000 H 0 0 0
- 5.4504 -3.6129 0.0000 H 0 0 0
- 6.4216 -2.7437 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 6 9 1 0
- 7 10 2 0
- 8 11 1 0
- 8 12 2 0
- 9 13 2 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 20 22 1 0
- 10 13 1 0
- 21 22 1 0
- 3 23 1 0
- 6 24 1 0
- 7 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 20 37 1 0
- 20 38 1 0
- 21 39 1 0
- 21 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-161697-02-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.9693 -0.0137 -0.0013 C 0 0 0
- -1.2452 -1.3996 -0.1298 C 0 0 0
- 0.2989 0.4088 0.0346 N 0 0 0
- -2.0353 0.8959 0.0924 C 0 0 0
- -0.2337 -2.2718 -0.2140 N 0 0 0
- -2.5804 -1.8392 -0.1667 C 0 0 0
- 1.2835 -0.4695 -0.0500 C 0 0 0
- -3.3314 0.4303 0.0582 C 0 0 0
- -1.7630 2.3718 0.2289 C 0 0 0
- 1.0051 -1.8422 -0.1773 C 0 0 0
- -3.5947 -0.9391 -0.0795 C 0 0 0
- 2.6906 -0.0041 -0.0109 C 0 0 0
- -4.3916 1.3315 0.1510 N 0 0 0
- 3.6493 -0.7323 0.6925 C 0 0 0
- 3.0614 1.1599 -0.6821 C 0 0 0
- -5.7726 0.8440 0.1154 C 0 0 0
- 4.9574 -0.2946 0.7249 C 0 0 0
- 4.3729 1.5880 -0.6426 C 0 0 0
- 5.3185 0.8644 0.0612 C 0 0 0
- -2.7899 -2.8523 0.0000 H 0 0 0
- -0.7456 2.1841 0.0000 H 0 0 0
- -1.5753 3.3892 0.0000 H 0 0 0
- -2.7804 2.5595 0.0000 H 0 0 0
- 1.7839 -2.5232 0.0000 H 0 0 0
- -4.5742 -1.2719 0.0000 H 0 0 0
- -4.2038 2.3488 0.0000 H 0 0 0
- 3.4811 -1.7531 0.0000 H 0 0 0
- 2.3273 1.8888 0.0000 H 0 0 0
- -6.1170 1.8195 0.0000 H 0 0 0
- -6.7481 0.4996 0.0000 H 0 0 0
- -5.4282 -0.1315 0.0000 H 0 0 0
- 5.6965 -1.0185 0.0000 H 0 0 0
- 4.5467 2.6078 0.0000 H 0 0 0
- 6.3044 1.1778 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 14 17 2 0
- 15 18 1 0
- 17 19 1 0
- 7 10 1 0
- 8 11 1 0
- 18 19 2 0
- 6 20 1 0
- 9 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 18 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.0701 0.0000 0.0000 C 0 0 0
- -0.5801 -1.4422 0.0297 C 0 0 0
- -0.5801 0.6953 -1.2638 C 0 0 0
- -0.5801 0.7468 1.2341 C 0 0 0
- 1.3589 0.0000 0.0000 O 0 0 0
- -1.4050 -1.1505 0.0000 H 0 0 0
- -0.8718 -2.2671 0.0000 H 0 0 0
- 0.2448 -1.7339 0.0000 H 0 0 0
- 0.1254 1.2128 0.0000 H 0 0 0
- -1.0976 1.4008 0.0000 H 0 0 0
- -1.2856 0.1778 0.0000 H 0 0 0
- 0.1425 1.2403 0.0000 H 0 0 0
- -1.0736 1.4694 0.0000 H 0 0 0
- -1.3027 0.2533 0.0000 H 0 0 0
- 2.2339 0.0000 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3366-61-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- -0.3834 0.1251 -0.2272 C 0 0 0
- -1.8571 0.0403 -0.0825 C 0 0 0
- 0.2283 1.3614 -0.4281 C 0 0 0
- 0.3928 -1.0311 -0.1568 C 0 0 0
- -2.5576 -1.0096 -0.6752 C 0 0 0
- -2.5432 1.0069 0.6511 C 0 0 0
- 1.5986 1.4377 -0.5618 C 0 0 0
- 1.7623 -0.9497 -0.2911 C 0 0 0
- -3.9271 -1.0867 -0.5391 C 0 0 0
- -3.9132 0.9258 0.7847 C 0 0 0
- 2.3695 0.2836 -0.4966 C 0 0 0
- -4.6100 -0.1186 0.1886 C 0 0 0
- 3.7593 0.3635 -0.6330 N 0 0 0
- -5.9971 -0.1984 0.3249 N 0 0 0
- 4.5608 -0.1643 0.3133 C 0 0 0
- 6.0528 -0.1976 0.1041 C 0 0 0
- 4.0812 -0.6124 1.3332 O 0 0 0
- -0.3388 2.2204 0.0000 H 0 0 0
- -0.0643 -1.9534 0.0000 H 0 0 0
- -2.0468 -1.9032 0.0000 H 0 0 0
- -2.0981 1.9350 0.0000 H 0 0 0
- 2.0584 2.3586 0.0000 H 0 0 0
- 2.3318 -1.8071 0.0000 H 0 0 0
- -4.3749 -2.0135 0.0000 H 0 0 0
- -4.4253 1.8187 0.0000 H 0 0 0
- 4.0264 1.3576 0.0000 H 0 0 0
- -6.5621 0.6620 0.0000 H 0 0 0
- -6.4597 -1.1179 0.0000 H 0 0 0
- 6.0298 -1.2267 0.0000 H 0 0 0
- 7.0819 -0.2206 0.0000 H 0 0 0
- 6.0758 0.8315 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 15 17 2 0
- 8 11 1 0
- 10 12 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130536-39-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 20 1 V2000
- 1.1296 -1.1859 0.3795 C 0 0 0
- -0.2371 -0.5670 0.1863 C 0 0 0
- 2.3395 -0.2357 0.3748 C 0 0 0
- 1.9193 -0.9517 -0.7883 O 0 0 0
- -0.3406 0.8129 0.0137 C 0 0 0
- -1.3096 -1.3299 0.1831 N 0 0 0
- 2.0747 1.2378 0.1767 C 0 0 0
- 0.8450 1.6849 0.0146 C 0 0 0
- -1.6125 1.3728 -0.1649 C 0 0 0
- -2.5192 -0.8293 0.0172 C 0 0 0
- -2.7088 0.5289 -0.1614 C 0 0 0
- 1.0586 -2.2211 0.0000 H 0 0 0
- 3.3610 -0.4178 0.0000 H 0 0 0
- 2.8684 1.9062 0.0000 H 0 0 0
- 0.6974 2.7120 0.0000 H 0 0 0
- -1.7374 2.4029 0.0000 H 0 0 0
- -3.3398 -1.4643 0.0000 H 0 0 0
- -3.6693 0.9215 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 9 11 1 0
- 3 4 1 0
- 7 8 2 0
- 10 11 2 0
- 1 12 1 0
- 3 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-52214-84-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 2.7966 -1.2836 0.0391 C 0 0 0
- 1.3080 -1.1600 -0.1607 C 0 0 0
- 3.3935 0.1017 0.2954 C 0 0 0
- 3.1570 -0.8576 1.4637 C 0 0 0
- 0.8093 -0.2904 -1.1133 C 0 0 0
- 0.4436 -1.9203 0.6047 C 0 0 0
- 5.0984 0.3819 -0.2197 Cl 0 0 0
- 2.2932 1.5225 0.1484 Cl 0 0 0
- -0.5547 -0.1757 -1.2986 C 0 0 0
- -0.9215 -1.8092 0.4231 C 0 0 0
- -1.4245 -0.9338 -0.5281 C 0 0 0
- -2.7669 -0.8227 -0.7086 O 0 0 0
- -3.1714 0.3874 -0.0652 C 0 0 0
- -4.6483 0.3305 0.2291 C 0 0 0
- -2.3965 0.5528 1.2437 C 0 0 0
- -2.8799 1.5756 -0.9840 C 0 0 0
- -5.2522 1.3648 0.8351 O 0 0 0
- -5.2887 -0.6462 -0.0803 O 0 0 0
- 3.1479 -2.1313 0.0000 H 0 0 0
- 3.5957 -1.6635 0.0000 H 0 0 0
- 4.0670 -0.7401 0.0000 H 0 0 0
- 1.3021 0.4836 0.0000 H 0 0 0
- 0.7323 -2.7913 0.0000 H 0 0 0
- -0.8403 0.6963 0.0000 H 0 0 0
- -1.4130 -2.5841 0.0000 H 0 0 0
- -2.2050 -0.3446 0.0000 H 0 0 0
- -1.4991 0.7443 0.0000 H 0 0 0
- -2.5880 1.4502 0.0000 H 0 0 0
- -1.9887 1.3570 0.0000 H 0 0 0
- -2.6613 2.4667 0.0000 H 0 0 0
- -3.7710 1.7942 0.0000 H 0 0 0
- -5.7149 2.1572 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 5 9 2 0
- 6 10 1 0
- 9 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 1 0
- 13 16 1 0
- 14 17 1 0
- 14 18 2 0
- 3 4 1 0
- 10 11 2 0
- 1 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 15 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-922-63-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- -0.1585 0.6062 0.1024 C 0 0 0
- -1.0281 -0.4861 0.6695 C 0 0 0
- 1.2499 0.3418 -0.1904 C 0 0 0
- -0.6748 1.8132 -0.1377 C 0 0 0
- -1.6774 -1.2669 -0.4749 C 0 0 0
- 1.7181 -0.7569 0.0233 O 0 0 0
- -0.6807 -1.4074 0.0000 H 0 0 0
- -0.0554 -0.6390 0.0000 H 0 0 0
- 1.8665 1.1094 0.0000 H 0 0 0
- -0.0844 2.6012 0.0000 H 0 0 0
- -1.6524 1.9305 0.0000 H 0 0 0
- -2.4344 -0.6374 0.0000 H 0 0 0
- -2.3069 -2.0239 0.0000 H 0 0 0
- -0.9204 -1.8964 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-99-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.3984 0.1399 0.0033 C 0 0 0
- 0.5586 -0.8574 0.0029 C 0 0 0
- -0.0130 1.4676 0.0010 C 0 0 0
- -1.8357 -0.2136 0.0001 N 0 3 0
- 1.9011 -0.5273 0.0001 C 0 0 0
- 1.3291 1.7977 -0.0018 C 0 0 0
- -2.6790 0.6652 0.0004 O 0 0 0
- -2.1752 -1.3834 -0.0030 O 0 5 0
- 2.2863 0.8001 -0.0023 C 0 0 0
- 2.9445 -1.6147 0.0001 C 0 0 0
- 0.2696 -1.8531 0.0000 H 0 0 0
- -0.7308 2.2157 0.0000 H 0 0 0
- 1.6180 2.7934 0.0000 H 0 0 0
- 3.2931 1.0477 0.0000 H 0 0 0
- 2.1964 -2.3325 0.0000 H 0 0 0
- 3.6623 -2.3628 0.0000 H 0 0 0
- 3.6926 -0.8969 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 9 1 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7576-88-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.2923 0.5624 -0.0043 C 0 0 0
- -0.1278 -0.8465 -0.0019 C 0 0 0
- 0.7870 1.3535 -0.0035 N 0 0 0
- -1.5870 1.1052 -0.0016 C 0 0 0
- 1.1042 -1.3660 0.0010 N 0 0 0
- -1.2633 -1.6772 -0.0023 C 0 0 0
- 1.9867 0.8179 -0.0005 C 0 0 0
- -2.6771 0.2631 0.0033 C 0 0 0
- 2.1481 -0.5686 0.0018 C 0 0 0
- -2.5056 -1.1277 -0.0049 C 0 0 0
- 3.2014 1.7099 0.0004 C 0 0 0
- -3.9642 0.8000 0.0065 N 0 0 0
- 3.5353 -1.1572 0.0051 C 0 0 0
- -1.7230 2.1427 0.0000 H 0 0 0
- -1.1509 -2.7176 0.0000 H 0 0 0
- -3.3459 -1.7514 0.0000 H 0 0 0
- 3.8208 0.8665 0.0000 H 0 0 0
- 4.0448 2.3293 0.0000 H 0 0 0
- 2.5820 2.5533 0.0000 H 0 0 0
- -4.0982 1.8378 0.0000 H 0 0 0
- -4.7960 0.1651 0.0000 H 0 0 0
- 3.1266 -2.1205 0.0000 H 0 0 0
- 4.4986 -1.5659 0.0000 H 0 0 0
- 3.9440 -0.1939 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 7 9 1 0
- 8 10 1 0
- 4 14 1 0
- 6 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6373-74-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 1.5436 -1.3617 -0.7567 C 0 0 0
- 0.8060 -1.4776 0.4148 C 0 0 0
- 2.9190 -1.6219 -0.7464 N 0 0 0
- 0.9154 -0.9934 -1.9392 C 0 0 0
- -0.5503 -1.2210 0.4046 C 0 0 0
- 1.6015 -1.9525 1.9135 S 0 0 0
- 3.3814 -2.9381 -0.8162 C 0 0 0
- -0.4423 -0.7424 -1.9505 C 0 0 0
- -1.1776 -0.8470 -0.7770 C 0 0 0
- 1.6359 -3.3730 1.8990 O 0 0 0
- 2.7346 -1.1036 2.0349 O 0 0 0
- 0.6756 -1.5730 3.0603 O 0 0 0
- 4.7269 -3.2152 -0.6100 C 0 0 0
- 2.4955 -3.9741 -1.0864 C 0 0 0
- -2.5531 -0.5868 -0.7873 N 0 0 0
- 5.1806 -4.5179 -0.6793 C 0 0 0
- 2.9559 -5.2740 -1.1542 C 0 0 0
- -3.0234 0.6959 -0.4963 C 0 0 0
- 4.2972 -5.5457 -0.9535 C 0 0 0
- -4.3884 0.9278 -0.3830 C 0 0 0
- -2.1268 1.7416 -0.3136 C 0 0 0
- -4.8500 2.1972 -0.0947 C 0 0 0
- -5.3471 -0.1842 -0.5717 N 0 3 0
- -2.5952 3.0081 -0.0255 C 0 0 0
- -3.9552 3.2365 0.0813 C 0 0 0
- -6.3654 -0.0076 -1.2162 O 0 0 0
- -5.1176 -1.2758 -0.0825 O 0 5 0
- -4.4537 4.5958 0.3898 N 0 3 0
- -3.6667 5.5124 0.5450 O 0 0 0
- -5.6508 4.7977 0.4883 O 0 5 0
- 12.8125 9.9137 -0.4887 Na 0 3 0
- 3.5887 -0.8427 0.0000 H 0 0 0
- 1.2740 -0.0305 0.0000 H 0 0 0
- -0.9145 -2.1818 0.0000 H 0 0 0
- -0.4210 0.2849 0.0000 H 0 0 0
- 5.4039 -2.4423 0.0000 H 0 0 0
- 1.4853 -3.7866 0.0000 H 0 0 0
- -3.2175 -1.3706 0.0000 H 0 0 0
- 6.1901 -4.7094 0.0000 H 0 0 0
- 2.2822 -6.0498 0.0000 H 0 0 0
- 4.6306 -6.5176 0.0000 H 0 0 0
- -1.1154 1.5604 0.0000 H 0 0 0
- -5.8607 2.3822 0.0000 H 0 0 0
- -1.9400 3.7996 0.0000 H 0 0 0
- -0.2751 -1.1833 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 7 14 1 0
- 9 15 1 0
- 13 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 18 20 2 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 2 0
- 22 25 2 0
- 23 26 2 0
- 23 27 1 0
- 25 28 1 0
- 28 29 2 0
- 28 30 1 0
- 8 9 2 0
- 17 19 1 0
- 24 25 1 0
- 3 32 1 0
- 4 33 1 0
- 5 34 1 0
- 8 35 1 0
- 13 36 1 0
- 14 37 1 0
- 15 38 1 0
- 16 39 1 0
- 17 40 1 0
- 19 41 1 0
- 21 42 1 0
- 22 43 1 0
- 24 44 1 0
- 12 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-03-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.4727 0.3886 -0.5237 C 0 0 0
- -0.8809 0.0308 -0.0925 N 0 3 0
- 1.4937 -0.2420 0.4254 C 0 0 0
- -1.6738 0.9038 0.2118 O 0 0 0
- -1.2133 -1.1397 -0.0382 O 0 5 0
- 2.9074 0.1317 -0.0250 C 0 0 0
- 1.1314 1.0203 0.0000 H 0 0 0
- 0.0260 1.1844 0.0000 H 0 0 0
- 0.8351 -0.8737 0.0000 H 0 0 0
- 1.9404 -1.0378 0.0000 H 0 0 0
- 3.1406 -0.7506 0.0000 H 0 0 0
- 3.7897 0.3649 0.0000 H 0 0 0
- 2.6742 1.0140 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 2 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-110-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.6514 -1.1545 0.2862 C 0 0 0
- -0.6856 -1.1609 -0.2148 O 0 0 0
- 1.3481 -0.0133 -0.2148 O 0 0 0
- -1.3255 0.0131 0.2862 C 0 0 0
- 0.6741 1.1414 0.2862 C 0 0 0
- -0.6625 1.1742 -0.2148 O 0 0 0
- 0.4724 -2.1412 0.0000 H 0 0 0
- 1.5885 -1.5113 0.0000 H 0 0 0
- -2.0904 0.6615 0.0000 H 0 0 0
- -2.1031 -0.6200 0.0000 H 0 0 0
- 1.6181 1.4796 0.0000 H 0 0 0
- 0.5146 2.1314 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 6 1 0
- 1 7 1 0
- 1 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-37853-59-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 2.6633 0.2735 -0.0828 C 0 0 0
- 3.2040 -0.8694 -0.6542 C 0 0 0
- 3.4936 1.1944 0.5409 C 0 0 0
- 1.3229 0.4938 -0.1386 O 0 0 0
- 4.5681 -1.0884 -0.6012 C 0 0 0
- 2.0761 -2.1267 -1.5043 Br 0 0 0
- 4.8567 0.9711 0.5913 C 0 0 0
- 2.7607 2.7536 1.3203 Br 0 0 0
- 0.7568 -0.1063 1.0282 C 0 0 0
- 5.3936 -0.1693 0.0208 C 0 0 0
- -0.7583 0.1066 1.0272 C 0 0 0
- 7.2588 -0.4722 0.0921 Br 0 0 0
- -1.3230 -0.4949 -0.1396 O 0 0 0
- -2.6634 -0.2746 -0.0857 C 0 0 0
- -3.2036 0.8680 -0.6594 C 0 0 0
- -3.4943 -1.1944 0.5378 C 0 0 0
- -4.5667 1.0896 -0.6038 C 0 0 0
- -2.0754 2.1208 -1.5159 Br 0 0 0
- -4.8572 -0.9684 0.5910 C 0 0 0
- -2.7631 -2.7562 1.3138 Br 0 0 0
- -5.3926 0.1736 0.0232 C 0 0 0
- -7.2571 0.4800 0.0981 Br 0 0 0
- 4.9078 -2.0489 0.0000 H 0 0 0
- 5.4705 1.7842 0.0000 H 0 0 0
- 0.4121 -1.0650 0.0000 H 0 0 0
- 1.6250 -0.6394 0.0000 H 0 0 0
- -0.4144 1.0656 0.0000 H 0 0 0
- -1.6273 0.6383 0.0000 H 0 0 0
- -4.9045 2.0508 0.0000 H 0 0 0
- -5.4724 -1.7804 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 21 22 1 0
- 7 10 1 0
- 19 21 2 0
- 5 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 11 27 1 0
- 11 28 1 0
- 17 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39208-00-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 35 1 V2000
- 1.4527 -0.3331 0.0068 C 0 0 0
- 2.2650 -1.4736 0.0058 C 0 0 0
- 2.0384 0.9388 0.0039 C 0 0 0
- 0.0963 -0.4604 0.0047 N 0 0 0
- 3.6346 -1.3375 0.0021 C 0 0 0
- 3.3983 1.0651 0.0003 C 0 0 0
- -0.6503 0.5915 0.0056 N 0 0 0
- 4.2074 -0.0682 -0.0007 C 0 0 0
- -2.0102 0.4638 0.0036 C 0 0 0
- 5.5921 0.0680 -0.0044 N 0 0 0
- -2.8200 1.6051 0.0045 C 0 0 0
- -2.5931 -0.8080 -0.0052 C 0 0 0
- 6.1969 1.4023 -0.0074 C 0 0 0
- 6.4453 -1.1230 -0.0054 C 0 0 0
- -4.1794 1.4781 0.0025 C 0 0 0
- -3.9528 -0.9363 -0.0073 C 0 0 0
- -4.7634 0.2052 -0.0005 C 0 0 0
- -6.2272 0.0677 -0.0027 C 0 0 0
- -6.7327 -1.0347 -0.0054 O 0 0 0
- 1.8330 -2.4245 0.0000 H 0 0 0
- 1.4350 1.7913 0.0000 H 0 0 0
- 4.2439 -2.1857 0.0000 H 0 0 0
- 3.8328 2.0148 0.0000 H 0 0 0
- -2.3844 2.5543 0.0000 H 0 0 0
- -1.9883 -1.6595 0.0000 H 0 0 0
- 7.1481 0.9711 0.0000 H 0 0 0
- 6.6281 2.3535 0.0000 H 0 0 0
- 5.2457 1.8335 0.0000 H 0 0 0
- 5.5963 -1.7312 0.0000 H 0 0 0
- 7.0535 -1.9720 0.0000 H 0 0 0
- 7.2943 -0.5148 0.0000 H 0 0 0
- -4.7836 2.3300 0.0000 H 0 0 0
- -4.3878 -1.8858 0.0000 H 0 0 0
- -6.8317 0.9194 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 2 0
- 10 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 2 0
- 6 8 1 0
- 16 17 2 0
- 2 20 1 0
- 3 21 1 0
- 5 22 1 0
- 6 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 14 31 1 0
- 15 32 1 0
- 16 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16354-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- -0.4332 -0.0739 -0.0660 C 0 0 0
- 0.0394 -1.4552 0.0416 C 0 0 0
- 0.4695 0.9731 -0.1463 C 0 0 0
- -1.8821 0.1756 -0.0806 C 0 0 0
- 1.4026 -1.7268 0.0646 C 0 0 0
- -0.9377 -2.5396 0.1246 C 0 0 0
- 1.8419 0.7061 -0.1242 C 0 0 0
- -0.0245 2.3926 -0.2575 C 0 0 0
- -2.7705 -0.9164 0.0088 C 0 0 0
- -2.3858 1.4734 -0.1811 C 0 0 0
- 2.3182 -0.6747 -0.0155 C 0 0 0
- 1.8901 -3.1484 0.1759 C 0 0 0
- -2.2586 -2.2799 0.1031 C 0 0 0
- 2.7888 1.7465 -0.2039 C 0 0 0
- 0.0717 3.0745 1.1088 C 0 0 0
- -4.1518 -0.6765 -0.0052 C 0 0 0
- -3.7473 1.6766 -0.1919 C 0 0 0
- 3.7077 -0.9127 0.0045 C 0 0 0
- 4.1146 1.4494 -0.1793 C 0 0 0
- -4.6215 0.6007 -0.1046 C 0 0 0
- 4.5684 0.1355 -0.0759 C 0 0 0
- -0.6066 -3.5332 0.0000 H 0 0 0
- -0.9409 2.8997 0.0000 H 0 0 0
- -0.8254 1.7178 0.0000 H 0 0 0
- -1.7319 2.2915 0.0000 H 0 0 0
- 0.8994 -3.4881 0.0000 H 0 0 0
- 2.2298 -4.1391 0.0000 H 0 0 0
- 2.8808 -2.8087 0.0000 H 0 0 0
- -2.9356 -3.0790 0.0000 H 0 0 0
- 2.4733 2.7452 0.0000 H 0 0 0
- 1.1087 2.9282 0.0000 H 0 0 0
- 0.2180 4.1115 0.0000 H 0 0 0
- -0.9653 3.2208 0.0000 H 0 0 0
- -4.8226 -1.4808 0.0000 H 0 0 0
- -4.1262 2.6530 0.0000 H 0 0 0
- 4.0735 -1.8940 0.0000 H 0 0 0
- 4.8125 2.2303 0.0000 H 0 0 0
- -5.6546 0.7727 0.0000 H 0 0 0
- 5.5993 -0.0494 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 14 19 2 0
- 16 20 2 0
- 18 21 2 0
- 7 11 2 0
- 9 13 1 0
- 17 20 1 0
- 19 21 1 0
- 6 22 1 0
- 8 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-141-78-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.3195 -0.4821 0.0000 O 0 0 0
- -0.9467 -0.0367 0.0000 C 0 0 0
- 1.4216 0.4632 0.0000 C 0 0 0
- -2.0906 -1.0178 0.0000 C 0 0 0
- -1.1694 1.1509 0.0000 O 0 0 0
- 2.7479 -0.2997 0.0000 C 0 0 0
- 2.0678 1.3397 0.0000 H 0 0 0
- 0.6237 1.2043 0.0000 H 0 0 0
- -2.7996 -0.1912 0.0000 H 0 0 0
- -2.9172 -1.7268 0.0000 H 0 0 0
- -1.3816 -1.8444 0.0000 H 0 0 0
- 2.2049 -1.2437 0.0000 H 0 0 0
- 3.6919 -0.8427 0.0000 H 0 0 0
- 3.2909 0.6443 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2784-94-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 35 1 V2000
- -0.9443 -0.1421 -0.2081 C 0 0 0
- -2.2981 0.1474 0.0005 N 0 0 0
- 0.0280 0.5098 0.5385 C 0 0 0
- -0.5742 -1.0855 -1.1577 C 0 0 0
- -3.0507 0.8970 -1.0083 C 0 0 0
- -2.9620 -0.2994 1.2277 C 0 0 0
- 1.3636 0.2243 0.3326 C 0 0 0
- 0.7609 -1.3709 -1.3635 C 0 0 0
- -2.7408 2.3890 -0.8714 C 0 0 0
- -3.4045 -1.7551 1.0671 C 0 0 0
- 1.7338 -0.7146 -0.6208 C 0 0 0
- 2.4000 0.9188 1.1288 N 0 3 0
- -1.4432 2.6570 -1.4066 O 0 0 0
- -2.2648 -2.6123 1.1588 O 0 0 0
- 3.0876 -1.0037 -0.8298 N 0 0 0
- 2.2292 1.1059 2.3201 O 0 0 0
- 3.4239 1.3033 0.5926 O 0 5 0
- 3.4782 -1.9944 -1.8358 C 0 0 0
- -0.1435 1.4014 0.0000 H 0 0 0
- -1.1617 -1.7777 0.0000 H 0 0 0
- -3.8878 1.2486 0.0000 H 0 0 0
- -3.5562 0.1428 0.0000 H 0 0 0
- -3.2273 0.5689 0.0000 H 0 0 0
- -3.8699 -0.3001 0.0000 H 0 0 0
- 0.9336 -2.2622 0.0000 H 0 0 0
- -2.8021 3.2949 0.0000 H 0 0 0
- -3.6466 2.4513 0.0000 H 0 0 0
- -4.2366 -1.3918 0.0000 H 0 0 0
- -3.8621 -2.5393 0.0000 H 0 0 0
- -0.5540 2.8406 0.0000 H 0 0 0
- -1.5392 -3.1580 0.0000 H 0 0 0
- 3.6745 -0.3109 0.0000 H 0 0 0
- 2.6335 -2.3274 0.0000 H 0 0 0
- 3.8112 -2.8391 0.0000 H 0 0 0
- 4.3229 -1.6614 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 15 18 1 0
- 8 11 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-150-69-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -1.0081 -0.5404 -0.2932 C 0 0 0
- -0.3350 -1.6592 0.1795 C 0 0 0
- -0.3045 0.6198 -0.5863 C 0 0 0
- -2.3964 -0.5843 -0.4797 N 0 0 0
- 1.0336 -1.6170 0.3576 C 0 0 0
- 1.0645 0.6606 -0.4077 C 0 0 0
- -3.1834 0.3466 0.0952 C 0 0 0
- 1.7362 -0.4572 0.0644 C 0 0 0
- -4.5017 0.3794 -0.1828 N 0 0 0
- -2.7040 1.1568 0.8647 O 0 0 0
- 3.0839 -0.4162 0.2404 O 0 0 0
- 3.5108 0.8928 -0.1420 C 0 0 0
- 5.0265 1.0064 0.0331 C 0 0 0
- -0.8218 -2.5521 0.0000 H 0 0 0
- -0.8166 1.4985 0.0000 H 0 0 0
- -2.8099 -1.5135 0.0000 H 0 0 0
- 1.5464 -2.4953 0.0000 H 0 0 0
- 1.5520 1.5531 0.0000 H 0 0 0
- -4.9881 1.2725 0.0000 H 0 0 0
- -5.0320 -0.4884 0.0000 H 0 0 0
- 3.5669 1.9083 0.0000 H 0 0 0
- 2.5112 1.0801 0.0000 H 0 0 0
- 5.1025 -0.0078 0.0000 H 0 0 0
- 6.0407 1.0824 0.0000 H 0 0 0
- 4.9505 2.0206 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 6 8 2 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
- 9 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-86853-91-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 34 1 V2000
- -0.2398 0.0360 -0.0011 C 0 0 0
- -1.6365 0.3057 -0.0014 C 0 0 0
- 0.6988 1.0505 0.0014 C 0 0 0
- -0.0185 -1.3958 0.0022 C 0 0 0
- -2.3677 -0.8834 -0.0056 C 0 0 0
- -2.1101 1.6166 0.0016 C 0 0 0
- 2.0875 0.5871 -0.0005 C 0 0 0
- 0.2065 2.3645 0.0060 C 0 0 0
- -1.3794 -1.9893 0.0032 C 0 0 0
- 1.2965 -1.7860 0.0032 C 0 0 0
- -3.7419 -0.7039 -0.0071 C 0 0 0
- -1.1391 2.6366 0.0055 C 0 0 0
- -3.5096 1.7372 -0.0003 C 0 0 0
- 2.3336 -0.8125 -0.0013 C 0 0 0
- 3.1552 1.4822 -0.0020 C 0 0 0
- -1.6389 -3.1771 0.0053 O 0 0 0
- -4.2634 0.5920 -0.0040 C 0 0 0
- 3.6693 -1.2554 -0.0012 C 0 0 0
- 4.4478 1.0092 -0.0028 C 0 0 0
- 4.6939 -0.3586 -0.0030 C 0 0 0
- 0.8859 3.1615 0.0000 H 0 0 0
- 1.5380 -2.8051 0.0000 H 0 0 0
- -4.3832 -1.5319 0.0000 H 0 0 0
- -1.4538 3.6355 0.0000 H 0 0 0
- -3.9664 2.6796 0.0000 H 0 0 0
- 2.9745 2.5138 0.0000 H 0 0 0
- -5.3055 0.6963 0.0000 H 0 0 0
- 3.8768 -2.2820 0.0000 H 0 0 0
- 5.2495 1.6831 0.0000 H 0 0 0
- 5.6823 -0.7048 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 9 16 2 0
- 11 17 1 0
- 14 18 1 0
- 15 19 2 0
- 18 20 2 0
- 5 9 1 0
- 8 12 2 0
- 10 14 1 0
- 13 17 2 0
- 19 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116374-64-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 52 1 V2000
- -0.6319 -0.3819 -0.4075 C 0 0 0
- -1.9489 -0.0069 -0.0318 C 0 0 0
- 0.3361 0.6210 -0.6226 C 0 0 0
- -0.3094 -1.7395 -0.5539 C 0 0 0
- -2.9388 -1.0665 0.1865 C 0 0 0
- -2.2789 1.2685 0.1192 N 0 0 0
- -0.0607 1.9630 -0.4506 C 0 0 0
- 1.6240 0.3006 -0.9875 N 0 0 0
- -1.2465 -2.7047 -0.3396 C 0 0 0
- 1.0642 -2.1273 -0.9461 N 0 3 0
- -2.5496 -2.3898 0.0177 C 0 0 0
- -4.3172 -0.7351 0.5773 C 0 0 0
- -1.3977 2.2519 -0.0731 C 0 0 0
- 0.8493 3.0154 -0.6467 C 0 0 0
- 2.4177 0.2703 0.2482 C 0 0 0
- 1.4554 -1.9187 -2.0806 O 0 0 0
- 1.8033 -2.6549 -0.1344 O 0 5 0
- -5.2170 -1.7194 0.7747 O 0 0 0
- -4.6453 0.4264 0.7222 O 0 0 0
- -1.7812 3.5967 0.0959 C 0 0 0
- 0.4396 4.3017 -0.4732 C 0 0 0
- 3.8946 0.0722 -0.0990 C 0 0 0
- -6.5781 -1.3921 1.1606 C 0 0 0
- -0.8733 4.5896 -0.1027 C 0 0 0
- 4.7213 0.0406 1.1881 C 0 0 0
- 6.1392 -0.1496 0.8547 N 0 0 0
- 6.8729 -0.1707 2.1272 C 0 0 0
- 6.2600 -1.4942 0.2755 C 0 0 0
- 1.4817 -0.7018 0.0000 H 0 0 0
- -0.9652 -3.6773 0.0000 H 0 0 0
- -3.2478 -3.1230 0.0000 H 0 0 0
- 1.8411 2.8120 0.0000 H 0 0 0
- 3.0103 1.0913 0.0000 H 0 0 0
- 1.9739 1.1804 0.0000 H 0 0 0
- -2.7667 3.8290 0.0000 H 0 0 0
- 1.1217 5.0500 0.0000 H 0 0 0
- 3.3020 -0.7488 0.0000 H 0 0 0
- 4.3384 -0.8379 0.0000 H 0 0 0
- -6.3414 -0.4077 0.0000 H 0 0 0
- -7.5625 -1.1554 0.0000 H 0 0 0
- -6.8148 -2.3765 0.0000 H 0 0 0
- -1.1794 5.5547 0.0000 H 0 0 0
- 5.3139 0.8616 0.0000 H 0 0 0
- 4.2775 0.9507 0.0000 H 0 0 0
- 6.8438 -1.1828 0.0000 H 0 0 0
- 7.8850 -0.1998 0.0000 H 0 0 0
- 6.9020 0.8414 0.0000 H 0 0 0
- 5.2516 -1.5848 0.0000 H 0 0 0
- 6.3506 -2.5026 0.0000 H 0 0 0
- 7.2684 -1.4036 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 10 16 2 0
- 10 17 1 0
- 12 18 1 0
- 12 19 2 0
- 13 20 1 0
- 14 21 2 0
- 15 22 1 0
- 18 23 1 0
- 20 24 2 0
- 22 25 1 0
- 25 26 1 0
- 26 27 1 0
- 26 28 1 0
- 7 13 1 0
- 9 11 1 0
- 21 24 1 0
- 8 29 1 0
- 9 30 1 0
- 11 31 1 0
- 14 32 1 0
- 15 33 1 0
- 15 34 1 0
- 20 35 1 0
- 21 36 1 0
- 22 37 1 0
- 22 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 24 42 1 0
- 25 43 1 0
- 25 44 1 0
- 27 45 1 0
- 27 46 1 0
- 27 47 1 0
- 28 48 1 0
- 28 49 1 0
- 28 50 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-122551-89-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- 0.0145 0.2957 -0.0040 C 0 0 0
- -1.1913 -0.2684 0.0007 C 0 0 0
- -0.1993 1.7913 -0.0128 C 0 0 0
- 1.3402 -0.4209 0.0044 C 0 0 0
- -2.2203 0.7764 -0.0044 C 0 0 0
- -1.4982 -1.9770 0.0114 Cl 0 0 0
- -1.6407 1.9913 -0.0124 O 0 0 0
- 2.2742 0.0260 -1.4717 Cl 0 0 0
- 2.2719 0.0561 1.4724 Cl 0 0 0
- -3.4188 0.5752 -0.0025 O 0 0 0
- 0.8499 1.8424 0.0000 H 0 0 0
- -0.1525 2.8407 0.0000 H 0 0 0
- 1.3143 -1.4711 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 7 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97629-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -0.7855 0.2457 0.0158 C 0 0 0
- -0.1948 -1.0086 -0.0568 C 0 0 0
- 0.0031 1.3776 0.0821 C 0 0 0
- -2.2603 0.3703 0.0159 N 0 3 0
- 1.1891 -1.1252 -0.0622 C 0 0 0
- -0.9941 -2.1560 -0.1241 N 0 0 0
- 1.3866 1.2611 0.0763 C 0 0 0
- -2.8127 1.0670 -0.8166 O 0 0 0
- -2.9216 -0.2239 0.8484 O 0 5 0
- 1.9775 0.0064 0.0036 C 0 0 0
- 1.8303 -2.4867 -0.1405 C 0 0 0
- 2.1860 2.4085 0.1440 N 0 0 0
- 3.4792 -0.1201 -0.0022 C 0 0 0
- -0.4396 2.3201 0.0000 H 0 0 0
- -2.0317 -2.0677 0.0000 H 0 0 0
- -0.5518 -3.0987 0.0000 H 0 0 0
- 0.8882 -2.9304 0.0000 H 0 0 0
- 2.2740 -3.4288 0.0000 H 0 0 0
- 2.7724 -2.0430 0.0000 H 0 0 0
- 3.2235 2.3202 0.0000 H 0 0 0
- 1.7437 3.3512 0.0000 H 0 0 0
- 3.3918 -1.1577 0.0000 H 0 0 0
- 4.5168 -0.2075 0.0000 H 0 0 0
- 3.5666 0.9175 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 10 13 1 0
- 7 10 1 0
- 3 14 1 0
- 6 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-129134-96-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 55 1 V2000
- 0.2320 0.5976 0.2146 C 0 0 0
- -0.9902 1.2679 0.2960 C 0 0 0
- 1.4820 1.1875 -0.0063 C 0 0 0
- 0.4221 -0.8474 0.3401 C 0 0 0
- -2.2034 0.4241 0.5492 C 0 0 2
- -0.9249 2.6162 0.1362 C 0 0 0
- 2.3759 0.1597 -0.0037 N 0 0 0
- 1.5156 2.5719 -0.1647 C 0 0 0
- 1.7239 -1.0468 0.2028 C 0 0 0
- -0.7872 -1.7163 0.5712 C 0 0 0
- -2.0144 -0.9901 -0.0001 C 0 0 1
- -3.4171 1.0745 -0.1248 C 0 0 0
- 0.3013 3.2406 -0.0879 C 0 0 0
- 3.8211 0.3078 -0.1924 C 0 0 0
- -3.2079 -1.7983 0.2807 N 0 0 0
- -4.6408 0.1743 0.0652 C 0 0 2
- 4.5578 -0.2258 1.0487 C 0 0 0
- 4.2760 -0.5617 -1.3827 C 0 0 0
- -4.3216 -1.2207 -0.4775 C 0 0 0
- -2.9581 -3.1308 -0.2851 C 0 0 0
- -5.8286 0.7600 -0.7009 C 0 0 0
- 5.4346 -1.4010 0.5693 C 0 0 0
- 5.6496 -1.1238 -0.9394 C 0 0 0
- -3.0571 -0.1674 0.0000 H 0 0 0
- -1.7970 3.1802 0.0000 H 0 0 0
- 2.4161 3.0894 0.0000 H 0 0 0
- 2.1865 -1.9767 0.0000 H 0 0 0
- -1.4339 -2.5290 0.0000 H 0 0 0
- -0.0710 -2.4685 0.0000 H 0 0 0
- -1.1483 -0.4169 0.0000 H 0 0 0
- -2.7967 1.9075 0.0000 H 0 0 0
- -4.1493 1.8111 0.0000 H 0 0 0
- 0.3181 4.2791 0.0000 H 0 0 0
- 4.0905 1.3109 0.0000 H 0 0 0
- -5.4556 -0.4697 0.0000 H 0 0 0
- 5.5717 -0.0008 0.0000 H 0 0 0
- 4.7685 0.7912 0.0000 H 0 0 0
- 3.2565 -0.7598 0.0000 H 0 0 0
- 4.1741 -1.5953 0.0000 H 0 0 0
- -5.3602 -1.2108 0.0000 H 0 0 0
- -4.5725 -2.2285 0.0000 H 0 0 0
- -3.9789 -3.3222 0.0000 H 0 0 0
- -2.7667 -4.1516 0.0000 H 0 0 0
- -1.9373 -2.9394 0.0000 H 0 0 0
- -5.3693 1.6915 0.0000 H 0 0 0
- -6.7601 1.2193 0.0000 H 0 0 0
- -6.2879 -0.1715 0.0000 H 0 0 0
- 4.6614 -2.0944 0.0000 H 0 0 0
- 6.1947 -2.1087 0.0000 H 0 0 0
- 6.5244 -1.6836 0.0000 H 0 0 0
- 6.1281 -0.2020 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 14 18 1 0
- 15 19 1 0
- 15 20 1 0
- 16 21 1 0
- 17 22 1 0
- 18 23 1 0
- 7 9 1 0
- 8 13 1 0
- 10 11 1 0
- 16 19 1 0
- 22 23 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 20 43 1 0
- 20 44 1 0
- 21 45 1 0
- 21 46 1 0
- 21 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-619-15-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -1.4870 0.1049 -0.0059 C 0 0 0
- -0.7437 -1.0562 0.0925 C 0 0 0
- -0.8492 1.3272 -0.1104 C 0 0 0
- -2.9657 0.0394 -0.0056 N 0 3 0
- 0.6375 -0.9954 0.0864 C 0 0 0
- 0.5315 1.3879 -0.1165 C 0 0 0
- -3.6207 1.0626 -0.0923 O 0 0 0
- -3.5275 -1.0378 0.0814 O 0 5 0
- 1.2750 0.2264 -0.0181 C 0 0 0
- 1.4479 -2.2614 0.1942 C 0 0 0
- 2.7538 0.2914 -0.0246 N 0 3 0
- 3.3450 0.8034 0.9091 O 0 0 0
- 3.3794 -0.1670 -0.9637 O 0 5 0
- -1.2200 -1.9740 0.0000 H 0 0 0
- -1.4045 2.1995 0.0000 H 0 0 0
- 1.0078 2.3057 0.0000 H 0 0 0
- 0.5770 -2.8189 0.0000 H 0 0 0
- 2.0054 -3.1323 0.0000 H 0 0 0
- 2.3188 -1.7039 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 11 12 2 0
- 11 13 1 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 6 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-98033-25-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- 0.0355 -0.7446 0.0020 C 0 0 0
- -1.1229 0.0597 0.0010 C 0 0 0
- 1.3754 -0.1583 0.0014 C 0 0 0
- -0.0923 -2.1483 -0.0024 C 0 0 0
- -2.3813 -0.5554 0.0011 C 0 0 0
- -1.3339 1.3976 0.0006 N 0 0 0
- 2.4961 -1.0212 0.0020 C 0 0 0
- 1.5668 1.2258 -0.0003 C 0 0 0
- -1.3736 -2.7295 -0.0073 C 0 0 0
- 1.0661 -2.9590 -0.0014 C 0 0 0
- -2.4859 -1.9472 0.0015 C 0 0 0
- -3.3059 0.4692 0.0008 N 0 0 0
- -2.6135 1.6389 0.0005 C 0 0 0
- 2.3031 -2.4210 0.0037 C 0 0 0
- 3.7870 -0.4723 0.0015 C 0 0 0
- 2.8490 1.7354 -0.0012 C 0 0 0
- -4.7636 0.3232 0.0003 C 0 0 0
- -3.2348 3.0118 0.0001 C 0 0 0
- 3.9517 0.8799 0.0003 C 0 0 0
- 3.0397 3.0808 -0.0033 O 0 0 0
- 0.7421 1.8724 0.0000 H 0 0 0
- -1.4715 -3.7729 0.0000 H 0 0 0
- 0.9613 -4.0017 0.0000 H 0 0 0
- -3.4334 -2.3949 0.0000 H 0 0 0
- 3.1381 -3.0542 0.0000 H 0 0 0
- 4.6244 -1.1023 0.0000 H 0 0 0
- -4.8680 1.3659 0.0000 H 0 0 0
- -5.8063 0.2188 0.0000 H 0 0 0
- -4.6592 -0.7195 0.0000 H 0 0 0
- -2.2801 3.4439 0.0000 H 0 0 0
- -3.6669 3.9665 0.0000 H 0 0 0
- -4.1895 2.5797 0.0000 H 0 0 0
- 4.9190 1.2830 0.0000 H 0 0 0
- 3.1868 4.1184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 1 0
- 9 11 2 0
- 10 14 2 0
- 12 13 1 0
- 16 19 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- 0.0000 0.0235 -0.0015 C 0 0 0
- -1.3051 0.7770 0.0005 C 0 0 0
- 1.3051 0.7770 0.0005 C 0 0 0
- 0.0000 -1.1841 0.0004 O 0 0 0
- -0.7400 1.7558 0.0000 H 0 0 0
- -2.2839 1.3421 0.0000 H 0 0 0
- -1.8702 -0.2018 0.0000 H 0 0 0
- 1.8702 -0.2018 0.0000 H 0 0 0
- 2.2839 1.3421 0.0000 H 0 0 0
- 0.7400 1.7558 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115459-65-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.1863 -0.5554 -0.0300 C 0 0 0
- 1.1630 -1.5458 0.0897 C 0 0 0
- 0.5680 0.7842 -0.1303 C 0 0 0
- -1.2441 -0.9233 -0.0567 C 0 0 0
- 2.4973 -1.1956 0.1082 C 0 0 0
- 1.9055 1.1202 -0.1104 C 0 0 0
- -2.1840 0.0348 -0.1723 O 0 0 0
- -1.5728 -2.0898 0.0257 O 0 0 0
- 2.8684 0.1334 0.0085 C 0 0 0
- -3.5900 -0.3269 -0.1985 C 0 0 0
- 4.3019 0.5016 0.0296 N 0 3 0
- -4.4395 0.9382 -0.3357 C 0 0 1
- 4.6317 1.6709 -0.0581 O 0 0 0
- 5.1517 -0.3646 0.1345 O 0 5 0
- -5.9210 0.5571 -0.3633 C 0 0 0
- -5.2849 1.0706 0.8088 O 0 0 0
- 0.8892 -2.5435 0.0000 H 0 0 0
- -0.1520 1.5272 0.0000 H 0 0 0
- 3.2231 -1.9329 0.0000 H 0 0 0
- 2.1872 2.1157 0.0000 H 0 0 0
- -4.5086 -0.8030 0.0000 H 0 0 0
- -3.2207 -1.2934 0.0000 H 0 0 0
- -3.8834 1.8107 0.0000 H 0 0 0
- -6.8237 1.0626 0.0000 H 0 0 0
- -6.0545 -0.4689 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 12 10 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 6 9 1 0
- 15 16 1 0
- 2 17 1 0
- 3 18 1 0
- 5 19 1 0
- 6 20 1 0
- 10 21 1 0
- 10 22 1 0
- 12 23 1 0
- 15 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-93-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -0.5682 0.0003 -0.0016 C 0 0 0
- -2.0521 0.0005 -0.0020 C 0 0 0
- 0.1311 1.1640 -0.3140 C 0 0 0
- 0.1308 -1.1625 0.3169 C 0 0 0
- -2.7513 -1.0943 -0.5055 C 0 0 0
- -2.7514 1.0934 0.5066 C 0 0 0
- 1.5115 1.1581 -0.3122 C 0 0 0
- 1.5108 -1.1570 0.3156 C 0 0 0
- -4.1317 -1.0890 -0.5029 C 0 0 0
- -4.1314 1.0880 0.5042 C 0 0 0
- 2.2002 -0.0001 -0.0010 C 0 0 0
- -4.8206 0.0005 -0.0018 C 0 0 0
- 3.6804 -0.0004 -0.0007 N 0 3 0
- 4.2892 -1.0192 0.2731 O 0 0 0
- 4.2896 1.0182 -0.2742 O 0 5 0
- -0.3663 2.0477 0.0000 H 0 0 0
- -0.3667 -2.0462 0.0000 H 0 0 0
- -2.2657 -1.9846 0.0000 H 0 0 0
- -2.2663 1.9839 0.0000 H 0 0 0
- 2.0148 2.0385 0.0000 H 0 0 0
- 2.0135 -2.0377 0.0000 H 0 0 0
- -4.6227 -1.9763 0.0000 H 0 0 0
- -4.6220 1.9755 0.0000 H 0 0 0
- -5.8347 0.0010 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 11 13 1 0
- 13 14 2 0
- 13 15 1 0
- 8 11 1 0
- 10 12 1 0
- 3 16 1 0
- 4 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2687-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 19 1 V2000
- -0.0240 -0.7124 -0.0014 C 0 0 0
- -1.2343 -0.0358 -0.0006 C 0 0 0
- 1.1717 0.0056 -0.0009 C 0 0 0
- -0.0023 -2.1124 0.0031 N 0 0 0
- -1.2534 1.3468 0.0007 C 0 0 0
- -2.5289 -0.8073 -0.0017 C 0 0 0
- 1.1432 1.3920 0.0004 C 0 0 0
- 2.3973 -0.6715 -0.0012 N 0 0 0
- -0.0682 2.0585 0.0012 C 0 0 0
- -0.8948 -2.6463 0.0000 H 0 0 0
- 0.9063 -2.6184 0.0000 H 0 0 0
- -2.1620 1.8528 0.0000 H 0 0 0
- -3.0613 0.0861 0.0000 H 0 0 0
- -3.4223 -1.3397 0.0000 H 0 0 0
- -1.9965 -1.7007 0.0000 H 0 0 0
- 2.0330 1.9304 0.0000 H 0 0 0
- 2.4169 -1.7113 0.0000 H 0 0 0
- 3.2880 -0.1346 0.0000 H 0 0 0
- -0.0879 3.0983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 7 9 2 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-106-43-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -2.0169 -0.0001 0.0018 C 0 0 0
- -1.3261 -1.1973 0.0013 C 0 0 0
- -1.3259 1.1975 0.0014 C 0 0 0
- -3.5239 -0.0001 -0.0037 C 0 0 0
- 0.0562 -1.1979 0.0006 C 0 0 0
- 0.0560 1.1981 0.0006 C 0 0 0
- 0.7482 -0.0001 0.0002 C 0 0 0
- 2.4842 0.0000 -0.0008 Cl 0 0 0
- -1.8450 -2.0954 0.0000 H 0 0 0
- -1.8448 2.0956 0.0000 H 0 0 0
- -3.5239 1.0371 0.0000 H 0 0 0
- -4.5611 -0.0001 0.0000 H 0 0 0
- -3.5239 -1.0373 0.0000 H 0 0 0
- 0.5745 -2.0964 0.0000 H 0 0 0
- 0.5743 2.0966 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 7 8 1 0
- 6 7 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10213-75-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 33 1 V2000
- 1.1622 0.5758 -0.0873 C 0 0 0
- -0.0982 -0.2246 -0.4212 C 0 0 0
- 2.3728 -0.0755 -0.7591 C 0 0 0
- 1.0058 2.0097 -0.5977 C 0 0 0
- -1.2289 0.3837 0.2063 O 0 0 0
- 3.3713 -0.5212 0.3110 C 0 0 0
- 1.1949 2.9878 0.5635 C 0 0 0
- -2.3684 -0.4055 -0.1413 C 0 0 0
- 4.5304 -1.2678 -0.3524 C 0 0 0
- -3.6200 0.1948 0.5021 C 0 0 0
- 5.5289 -1.7135 0.7178 C 0 0 0
- -4.7937 -0.6181 0.1441 C 0 0 0
- -5.6996 -1.2455 -0.1323 N 0 0 0
- 2.0185 1.1528 0.0000 H 0 0 0
- -0.7346 -1.0377 0.0000 H 0 0 0
- 0.5952 -0.9897 0.0000 H 0 0 0
- 1.5081 -0.6398 0.0000 H 0 0 0
- 2.4545 -1.1048 0.0000 H 0 0 0
- 0.1623 2.6052 0.0000 H 0 0 0
- 0.1162 1.4856 0.0000 H 0 0 0
- 4.2644 -0.0030 0.0000 H 0 0 0
- 3.3166 0.5099 0.0000 H 0 0 0
- 2.2087 2.7918 0.0000 H 0 0 0
- 1.3909 4.0016 0.0000 H 0 0 0
- 0.1811 3.1838 0.0000 H 0 0 0
- -2.9682 -1.2460 0.0000 H 0 0 0
- -1.6435 -1.1407 0.0000 H 0 0 0
- 3.6373 -1.7860 0.0000 H 0 0 0
- 4.5851 -2.2989 0.0000 H 0 0 0
- -3.0202 1.0353 0.0000 H 0 0 0
- -4.3449 0.9300 0.0000 H 0 0 0
- 5.1080 -2.6564 0.0000 H 0 0 0
- 6.4718 -2.1344 0.0000 H 0 0 0
- 5.9498 -0.7706 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 12 13 3 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 11 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-75321-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -0.5528 0.0427 -0.0037 C 0 0 0
- -1.8567 0.0940 -0.0033 C 0 0 0
- 0.2395 1.2867 -0.0220 C 0 0 0
- 0.1466 -1.2546 0.0203 C 0 0 0
- -2.5487 1.3965 -0.0212 C 0 0 0
- -2.6559 -1.1443 0.0155 C 0 0 0
- 1.7076 1.1615 -0.0208 C 0 0 0
- -0.3713 2.4474 -0.0381 C 0 0 0
- 1.4588 -1.2713 0.0199 C 0 0 0
- -0.6454 -2.4958 0.0437 C 0 0 0
- -1.8486 2.5056 -0.0377 C 0 0 0
- -4.0221 1.3870 -0.0191 C 0 0 0
- -1.9640 -2.4441 0.0327 C 0 0 0
- -3.9655 -1.0578 0.0159 C 0 0 0
- 2.2527 -0.0361 -0.0038 C 0 0 0
- 2.4887 2.2685 -0.0376 N 0 3 0
- 2.1007 -2.4644 0.0420 N 0 3 0
- -4.6597 0.2360 -0.0018 C 0 0 0
- 3.3978 2.3603 -0.8429 O 0 0 0
- 2.2816 3.1719 0.7527 O 0 5 0
- 2.8954 -2.7120 0.9311 O 0 0 0
- 1.8829 -3.2893 -0.8273 O 0 5 0
- 0.1709 3.3067 0.0000 H 0 0 0
- -0.1745 -3.3962 0.0000 H 0 0 0
- -2.3216 3.4049 0.0000 H 0 0 0
- -4.5408 2.2608 0.0000 H 0 0 0
- -2.5041 -3.3048 0.0000 H 0 0 0
- -4.5157 -1.9121 0.0000 H 0 0 0
- 3.2662 -0.1093 0.0000 H 0 0 0
- -5.6758 0.2428 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 9 17 1 0
- 12 18 2 0
- 16 19 2 0
- 16 20 1 0
- 17 21 2 0
- 17 22 1 0
- 8 11 1 0
- 9 15 1 0
- 10 13 2 0
- 14 18 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-117-39-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -2.3275 0.4384 0.0409 C 0 0 0
- -1.7125 -0.8152 -0.1215 C 0 0 0
- -1.4747 1.6352 0.1193 C 0 0 0
- -3.7227 0.5331 0.1307 C 0 0 0
- -0.3680 -0.8982 -0.2013 O 0 0 0
- -2.4989 -1.9549 -0.1975 C 0 0 0
- -0.0718 1.4446 0.0249 C 0 0 0
- -1.9555 2.7483 0.2604 O 0 0 0
- -4.4889 -0.6149 0.0585 C 0 0 0
- -4.3170 1.7430 0.2879 O 0 0 0
- 0.4244 0.1852 -0.1309 C 0 0 0
- -3.8785 -1.8530 -0.1134 C 0 0 0
- 0.7713 2.5109 0.0900 O 0 0 0
- 1.8846 0.0042 -0.2268 C 0 0 0
- -4.6410 -2.9736 -0.1891 O 0 0 0
- 2.6036 -0.4835 0.8682 C 0 0 0
- 2.5525 0.3146 -1.4147 C 0 0 0
- 3.9718 -0.6511 0.7729 C 0 0 0
- 3.9176 0.1448 -1.5023 C 0 0 0
- 4.6319 -0.3341 -0.4129 C 0 0 0
- 4.6745 -1.1250 1.8364 O 0 0 0
- 5.9776 -0.4992 -0.5045 O 0 0 0
- -2.0592 -2.8732 0.0000 H 0 0 0
- -5.5049 -0.5485 0.0000 H 0 0 0
- -4.7659 2.6569 0.0000 H 0 0 0
- 1.4028 3.3096 0.0000 H 0 0 0
- -5.2138 -3.8154 0.0000 H 0 0 0
- 2.2459 -1.4368 0.0000 H 0 0 0
- 2.3947 1.3205 0.0000 H 0 0 0
- 4.2736 1.0987 0.0000 H 0 0 0
- 5.5186 -1.6943 0.0000 H 0 0 0
- 6.9882 -0.6232 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 18 21 1 0
- 20 22 1 0
- 7 11 2 0
- 9 12 1 0
- 19 20 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 19 30 1 0
- 21 31 1 0
- 22 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75776-00-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 43 1 V2000
- 0.8375 0.0016 -0.7682 C 0 0 0
- 1.4305 -1.2069 -0.3515 C 0 0 0
- 1.4378 1.2060 -0.3491 C 0 0 0
- -0.2880 0.0057 -1.5634 N 0 0 0
- 2.5930 -1.1692 0.4628 C 0 0 0
- 0.8869 -2.4461 -0.7303 C 0 0 0
- 2.5999 1.1599 0.4649 C 0 0 0
- 0.9016 2.4491 -0.7256 C 0 0 0
- -1.5588 0.0059 -0.9774 C 0 0 0
- 3.1260 -0.0067 0.8353 N 0 0 0
- 3.1761 -2.3857 0.8726 C 0 0 0
- 1.4797 -3.5977 -0.3132 C 0 0 0
- 3.1902 2.3721 0.8771 C 0 0 0
- 1.5011 3.5965 -0.3064 C 0 0 0
- -2.6934 0.0100 -1.7791 C 0 0 0
- -1.6858 -0.0038 0.4056 C 0 0 0
- 2.6223 -3.5653 0.4861 C 0 0 0
- 2.6435 3.5557 0.4928 C 0 0 0
- -3.9469 0.0098 -1.2010 C 0 0 0
- -2.9397 -0.0040 0.9837 C 0 0 0
- -4.0738 0.0054 0.1823 C 0 0 0
- -5.3443 0.0057 0.7682 N 0 0 0
- -5.4782 0.0011 2.2271 C 0 0 0
- -0.2862 0.9587 0.0000 H 0 0 0
- -0.0656 -2.4756 0.0000 H 0 0 0
- -0.0507 2.4845 0.0000 H 0 0 0
- 4.1291 -2.3819 0.0000 H 0 0 0
- 0.9950 -4.4182 0.0000 H 0 0 0
- 4.1431 2.3623 0.0000 H 0 0 0
- 1.0220 4.4203 0.0000 H 0 0 0
- -2.6918 0.9630 0.0000 H 0 0 0
- -1.6494 -0.9561 0.0000 H 0 0 0
- 3.1446 -4.3624 0.0000 H 0 0 0
- 3.1712 4.3492 0.0000 H 0 0 0
- -3.9635 0.9626 0.0000 H 0 0 0
- -2.9436 -0.9570 0.0000 H 0 0 0
- -5.3605 0.9585 0.0000 H 0 0 0
- -5.5109 0.9535 0.0000 H 0 0 0
- -6.4306 -0.0316 0.0000 H 0 0 0
- -5.4455 -0.9513 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 2 0
- 11 17 2 0
- 13 18 2 0
- 15 19 2 0
- 16 20 1 0
- 19 21 1 0
- 21 22 1 0
- 22 23 1 0
- 7 10 1 0
- 12 17 1 0
- 14 18 1 0
- 20 21 2 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 22 37 1 0
- 23 38 1 0
- 23 39 1 0
- 23 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1072-83-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.0306 0.0164 -0.0013 C 0 0 0
- -1.3827 -0.0047 -0.0004 C 0 0 0
- 0.8336 1.1440 -0.0001 C 0 0 0
- 0.8633 -1.0824 0.0026 N 0 0 0
- -2.1168 -1.3208 -0.0019 C 0 0 0
- -2.0055 1.0379 0.0015 O 0 0 0
- 2.1572 0.7007 -0.0016 C 0 0 0
- 2.1427 -0.6556 0.0002 C 0 0 0
- 0.5132 2.1293 0.0000 H 0 0 0
- 0.5569 -2.0722 0.0000 H 0 0 0
- -3.0217 -0.8161 0.0000 H 0 0 0
- -2.6215 -2.2257 0.0000 H 0 0 0
- -1.2119 -1.8255 0.0000 H 0 0 0
- 3.0014 1.3014 0.0000 H 0 0 0
- 2.9801 -1.2658 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 7 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 7 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-141511-31-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 42 1 V2000
- -0.2748 -0.0510 -0.0029 C 0 0 0
- -1.7417 -0.1300 -0.0022 C 0 0 0
- 0.3463 1.2233 -0.0013 C 0 0 0
- 0.4966 -1.2062 0.0005 C 0 0 0
- -2.4975 1.0619 0.0002 C 0 0 0
- -2.3957 -1.3635 -0.0033 C 0 0 0
- 1.7391 1.3173 -0.0011 C 0 0 0
- -0.4740 2.4312 0.0011 C 0 0 0
- 1.8889 -1.1122 0.0003 C 0 0 0
- -1.8202 2.3546 0.0014 C 0 0 0
- -3.8966 0.9875 0.0010 C 0 0 0
- -3.7717 -1.4042 -0.0021 C 0 0 0
- 2.5103 0.1624 -0.0023 C 0 0 0
- 2.7090 -2.3203 0.0045 C 0 0 0
- -4.5135 -0.2299 -0.0005 C 0 0 0
- 3.9772 0.2409 -0.0015 C 0 0 0
- 4.0552 -2.2438 0.0048 C 0 0 0
- -5.9920 -0.2997 0.0008 N 0 3 0
- 4.7322 -0.9512 -0.0022 C 0 0 0
- 4.6326 1.4739 0.0005 C 0 0 0
- -6.5506 -1.3821 -0.0006 O 0 0 0
- -6.6501 0.7252 0.0033 O 0 5 0
- 6.1319 -0.8756 -0.0014 C 0 0 0
- 5.9982 1.5157 0.0017 C 0 0 0
- 6.7445 0.3440 0.0001 C 0 0 0
- 0.0343 -2.1457 0.0000 H 0 0 0
- -1.8427 -2.2527 0.0000 H 0 0 0
- 2.2015 2.2568 0.0000 H 0 0 0
- -0.0104 3.3701 0.0000 H 0 0 0
- -2.3875 3.2347 0.0000 H 0 0 0
- -4.4682 1.8648 0.0000 H 0 0 0
- -4.2635 -2.3286 0.0000 H 0 0 0
- 2.2452 -3.2591 0.0000 H 0 0 0
- 4.6225 -3.1239 0.0000 H 0 0 0
- 4.0796 2.3631 0.0000 H 0 0 0
- 6.7054 -1.7517 0.0000 H 0 0 0
- 6.4878 2.4413 0.0000 H 0 0 0
- 7.7903 0.3972 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 14 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 20 24 2 0
- 23 25 2 0
- 8 10 2 0
- 9 13 1 0
- 12 15 2 0
- 17 19 1 0
- 24 25 1 0
- 4 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 14 33 1 0
- 17 34 1 0
- 20 35 1 0
- 23 36 1 0
- 24 37 1 0
- 25 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-19473-49-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 18 1 V2000
- -1.6729 -0.9095 -0.5905 C 0 0 1
- -2.6415 0.0233 0.1392 C 0 0 0
- -0.4823 -1.1866 0.2909 C 0 0 0
- -2.3533 -2.1726 -0.9058 N 0 0 0
- -3.8502 0.3047 -0.7557 C 0 0 0
- 0.5956 -0.3889 0.2332 O 0 0 0
- -0.4982 -2.1269 1.0496 O 0 0 0
- -4.8043 1.2234 -0.0370 C 0 0 0
- -4.5410 1.6181 1.0907 O 0 0 0
- -5.8423 1.5747 -0.5812 O 0 0 0
- 9.1840 0.6688 -0.1161 K 0 3 0
- -1.2286 -0.0916 0.0000 H 0 0 0
- -1.8074 0.4364 0.0000 H 0 0 0
- -2.7488 0.9479 0.0000 H 0 0 0
- -3.2837 -2.2000 0.0000 H 0 0 0
- -1.8643 -2.9646 0.0000 H 0 0 0
- -4.6842 -0.1085 0.0000 H 0 0 0
- -3.7428 -0.6199 0.0000 H 0 0 0
- 1.3438 0.1648 0.0000 H 0 0 0
- -6.7239 1.8731 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 2 0
- 8 10 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-146795-36-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- -1.0643 -0.2532 0.0714 C 0 0 0
- -2.2204 0.6061 0.0177 C 0 0 0
- 0.3000 0.2964 0.1207 C 0 0 0
- -1.2938 -1.6135 0.0804 C 0 0 0
- -3.4272 0.0083 -0.0249 C 0 0 0
- 1.3599 -0.5347 0.1703 N 0 0 0
- 0.4711 1.5007 0.1167 O 0 0 0
- -3.0207 -1.7253 0.0181 S 0 0 0
- -4.7652 0.6388 -0.0830 N 0 3 0
- 2.6572 -0.0195 0.0842 C 0 0 0
- -5.7650 -0.0561 -0.1167 O 0 0 0
- -4.8664 1.8525 -0.0973 O 0 5 0
- 3.7434 -0.8805 -0.0003 C 0 0 0
- 2.8611 1.3543 0.0771 C 0 0 0
- 5.0250 -0.3675 -0.0859 C 0 0 0
- 4.1431 1.8614 -0.0086 C 0 0 0
- 5.2241 1.0035 -0.0873 C 0 0 0
- 6.0830 -1.2036 -0.1677 F 0 0 0
- -2.1277 1.6373 0.0000 H 0 0 0
- -0.6002 -2.3821 0.0000 H 0 0 0
- 1.2119 -1.5594 0.0000 H 0 0 0
- 3.5941 -1.9050 0.0000 H 0 0 0
- 2.0500 1.9978 0.0000 H 0 0 0
- 4.2948 2.8856 0.0000 H 0 0 0
- 6.1864 1.3855 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 13 15 2 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 5 8 1 0
- 16 17 2 0
- 2 19 1 0
- 4 20 1 0
- 6 21 1 0
- 13 22 1 0
- 14 23 1 0
- 16 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5410-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- -0.4828 -0.6212 -0.0010 C 0 0 0
- -1.9546 -0.5175 -0.0007 C 0 0 0
- -0.0094 0.6985 -0.0003 C 0 0 0
- 0.4111 -1.6862 0.0032 C 0 0 0
- -2.2382 0.8552 0.0001 C 0 0 0
- -2.9893 -1.4469 -0.0015 C 0 0 0
- -1.0705 1.5350 0.0003 O 0 0 0
- 1.3612 0.9266 0.0000 C 0 0 0
- 1.7685 -1.4402 0.0015 C 0 0 0
- -3.5638 1.2733 0.0010 C 0 0 0
- -4.2984 -1.0132 -0.0015 C 0 0 0
- 2.2392 -0.1372 -0.0003 C 0 0 0
- -4.5819 0.3434 0.0010 C 0 0 0
- 3.6977 0.1157 -0.0004 N 0 3 0
- 4.4779 -0.8196 -0.0007 O 0 0 0
- 4.1176 1.2590 -0.0002 O 0 5 0
- 0.0580 -2.6636 0.0000 H 0 0 0
- -2.7768 -2.4642 0.0000 H 0 0 0
- 1.7253 1.9000 0.0000 H 0 0 0
- 2.4394 -2.2339 0.0000 H 0 0 0
- -3.7879 2.2881 0.0000 H 0 0 0
- -5.0739 -1.7050 0.0000 H 0 0 0
- -5.5709 0.6627 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 10 13 2 0
- 12 14 1 0
- 14 15 2 0
- 14 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-104-83-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.9676 0.0032 -0.6013 C 0 0 0
- -0.2924 -1.1951 -0.4604 C 0 0 0
- -0.2913 1.1996 -0.4539 C 0 0 0
- -2.4401 0.0048 -0.9218 C 0 0 0
- 1.0591 -1.1973 -0.1722 C 0 0 0
- 1.0606 1.1987 -0.1655 C 0 0 0
- -3.3889 -0.0030 0.6114 Cl 0 0 0
- 1.7367 0.0001 -0.0245 C 0 0 0
- 3.4346 -0.0018 0.3371 Cl 0 0 0
- -0.8136 -2.0853 0.0000 H 0 0 0
- -0.8109 2.0908 0.0000 H 0 0 0
- -1.9261 0.8992 0.0000 H 0 0 0
- -2.9605 0.8955 0.0000 H 0 0 0
- 1.5780 -2.0889 0.0000 H 0 0 0
- 1.5812 2.0893 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 6 8 2 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135-73-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 1.8043 0.4336 -0.0929 C 0 0 0
- 2.6664 -0.7710 0.1839 C 0 0 0
- 2.3189 1.5033 -0.3417 O 0 0 0
- 0.3398 0.3109 -0.0673 C 0 0 0
- 4.5616 -0.2626 0.0617 Br 0 0 0
- -0.4622 1.4293 -0.3243 C 0 0 0
- -0.2554 -0.9260 0.2084 C 0 0 0
- -1.8329 1.3090 -0.2991 C 0 0 0
- -1.6160 -1.0406 0.2323 C 0 0 0
- -2.4184 0.0737 -0.0177 C 0 0 0
- -3.8948 -0.0565 0.0096 C 0 0 0
- -4.5073 -1.1900 -0.5229 C 0 0 0
- -4.6760 0.9518 0.5731 C 0 0 0
- -5.8823 -1.3055 -0.4947 C 0 0 0
- -6.0497 0.8252 0.5956 C 0 0 0
- -6.6524 -0.2995 0.0605 C 0 0 0
- 1.7633 -1.2661 0.0000 H 0 0 0
- 3.0501 -1.7267 0.0000 H 0 0 0
- -0.0323 2.3652 0.0000 H 0 0 0
- 0.3288 -1.7741 0.0000 H 0 0 0
- -2.4211 2.1544 0.0000 H 0 0 0
- -2.0466 -1.9761 0.0000 H 0 0 0
- -3.9433 -2.0517 0.0000 H 0 0 0
- -4.2656 1.8964 0.0000 H 0 0 0
- -6.2992 -2.2472 0.0000 H 0 0 0
- -6.6187 1.6836 0.0000 H 0 0 0
- -7.6789 -0.3825 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 6 1 0
- 9 7 2 0
- 10 8 2 0
- 11 10 1 0
- 12 11 2 0
- 13 11 1 0
- 14 12 1 0
- 15 13 2 0
- 16 14 2 0
- 9 10 1 0
- 15 16 1 0
- 2 17 1 0
- 2 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-541-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 1.0991 -0.1118 -0.0018 C 0 0 0
- 0.0000 -0.8873 -0.0012 N 0 0 0
- 0.6716 1.3048 -0.0006 C 0 0 0
- 2.2470 -0.5070 0.0015 O 0 0 0
- -1.0991 -0.1118 0.0002 C 0 0 0
- -0.6716 1.3048 0.0006 C 0 0 0
- -2.2470 -0.5070 0.0006 O 0 0 0
- 0.0000 -1.8962 0.0000 H 0 0 0
- 1.2732 2.1147 0.0000 H 0 0 0
- -1.2732 2.1147 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 5 6 1 0
- 2 8 1 0
- 3 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2832-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 2.8406 0.2319 -0.0241 C 0 0 0
- 1.5006 0.4784 0.0588 N 0 0 0
- 3.7462 1.2941 -0.1629 C 0 0 0
- 3.3191 -1.0802 0.0345 C 0 0 0
- 0.6713 -0.5014 0.1864 N 0 0 0
- 5.1043 1.0322 -0.2456 C 0 0 0
- 3.2940 2.5731 -0.2162 O 0 0 0
- 4.6734 -1.3218 -0.0494 C 0 0 0
- -0.6692 -0.2549 0.2693 C 0 0 0
- 5.5634 -0.2699 -0.1917 C 0 0 0
- 5.1884 -2.7367 0.0144 C 0 0 0
- -1.5699 -1.3156 0.4076 C 0 0 0
- -1.1446 1.0598 0.2221 C 0 0 0
- -2.9210 -1.0626 0.4914 C 0 0 0
- -2.4968 1.3042 0.3066 C 0 0 0
- -3.3901 0.2457 0.4387 C 0 0 0
- -4.7607 0.4979 0.5236 N 0 0 0
- -5.6117 -0.1102 -0.3265 C 0 0 0
- -7.0991 0.0562 -0.1511 C 0 0 0
- -5.1803 -0.7912 -1.2326 O 0 0 0
- 2.6529 -1.8730 0.0000 H 0 0 0
- 5.7802 1.8167 0.0000 H 0 0 0
- 2.9488 3.5494 0.0000 H 0 0 0
- 6.5819 -0.4569 0.0000 H 0 0 0
- 4.2154 -3.0909 0.0000 H 0 0 0
- 5.5426 -3.7097 0.0000 H 0 0 0
- 6.1614 -2.3825 0.0000 H 0 0 0
- -1.2238 -2.2915 0.0000 H 0 0 0
- -0.4765 1.8509 0.0000 H 0 0 0
- -3.5927 -1.8507 0.0000 H 0 0 0
- -2.8475 2.2785 0.0000 H 0 0 0
- -4.9859 1.5086 0.0000 H 0 0 0
- -6.9840 1.0853 0.0000 H 0 0 0
- -8.1282 0.1713 0.0000 H 0 0 0
- -7.2142 -0.9729 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 9 12 2 0
- 9 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 8 10 1 0
- 15 16 1 0
- 4 21 1 0
- 6 22 1 0
- 7 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-35282-68-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -2.4152 -0.4110 -0.0017 C 0 0 0
- -3.4001 0.5801 -0.0008 C 0 0 0
- -1.0926 -0.0651 -0.0007 N 0 0 0
- -2.7888 -1.7578 0.0021 C 0 0 0
- -4.7326 0.2235 -0.0014 C 0 0 0
- -3.0076 2.0351 0.0013 C 0 0 0
- -0.1859 -0.9827 -0.0015 N 0 0 0
- -4.1248 -2.0992 0.0068 C 0 0 0
- -5.0948 -1.1119 -0.0029 C 0 0 0
- -4.1843 2.8459 0.0019 O 0 0 0
- 1.1341 -0.6374 -0.0005 C 0 0 0
- 2.1192 -1.6313 -0.0014 C 0 0 0
- 1.5063 0.7112 -0.0043 C 0 0 0
- 3.4495 -1.2791 -0.0008 C 0 0 0
- 2.8391 1.0555 -0.0037 C 0 0 0
- 3.8158 0.0640 0.0007 C 0 0 0
- 5.1629 0.4164 0.0018 N 0 0 0
- 5.5505 1.8292 0.0034 C 0 0 0
- 6.1926 -0.6257 0.0013 C 0 0 0
- -2.0582 -2.5035 0.0000 H 0 0 0
- -5.4696 0.9629 0.0000 H 0 0 0
- -2.0369 1.6510 0.0000 H 0 0 0
- -2.5162 2.9562 0.0000 H 0 0 0
- -4.4053 -3.1048 0.0000 H 0 0 0
- -6.1048 -1.3761 0.0000 H 0 0 0
- -5.0440 3.4382 0.0000 H 0 0 0
- 1.8453 -2.6387 0.0000 H 0 0 0
- 0.7742 1.4555 0.0000 H 0 0 0
- 4.1849 -2.0200 0.0000 H 0 0 0
- 3.1176 2.0616 0.0000 H 0 0 0
- 6.5573 1.5530 0.0000 H 0 0 0
- 5.8267 2.8360 0.0000 H 0 0 0
- 4.5437 2.1054 0.0000 H 0 0 0
- 5.4500 -1.3595 0.0000 H 0 0 0
- 6.9264 -1.3683 0.0000 H 0 0 0
- 6.9352 0.1081 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 11 12 1 0
- 11 13 2 0
- 12 14 2 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 1 0
- 8 9 1 0
- 15 16 2 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 18 31 1 0
- 18 32 1 0
- 18 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6271-79-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.6907 -0.2699 0.3366 C 0 0 0
- -0.6907 0.2701 0.3364 C 0 0 0
- 1.7540 0.5329 -0.0733 C 0 0 0
- 0.9284 -1.5794 0.7523 C 0 0 0
- -1.7539 -0.5327 -0.0735 C 0 0 0
- -0.9285 1.5797 0.7518 C 0 0 0
- 3.0375 0.0287 -0.0724 C 0 0 0
- 2.2131 -2.0793 0.7516 C 0 0 0
- -3.0375 -0.0288 -0.0724 C 0 0 0
- -2.2132 2.0794 0.7513 C 0 0 0
- 3.2713 -1.2787 0.3369 C 0 0 0
- 4.1669 0.8806 -0.5081 N 0 3 0
- -3.2715 1.2786 0.3370 C 0 0 0
- -4.1668 -0.8807 -0.5081 N 0 3 0
- 4.5717 -1.7872 0.3366 N 0 0 0
- 4.3596 1.9574 0.0275 O 0 0 0
- 4.9037 0.5047 -1.4022 O 0 5 0
- -4.5719 1.7870 0.3369 N 0 0 0
- -4.3593 -1.9576 0.0274 O 0 0 0
- -4.9037 -0.5048 -1.4021 O 0 5 0
- 1.6183 1.5228 0.0000 H 0 0 0
- 0.1576 -2.2151 0.0000 H 0 0 0
- -1.6181 -1.5226 0.0000 H 0 0 0
- -0.1577 2.2155 0.0000 H 0 0 0
- 2.3508 -3.0689 0.0000 H 0 0 0
- -2.3511 3.0690 0.0000 H 0 0 0
- 4.7219 -2.7750 0.0000 H 0 0 0
- 5.3521 -1.1632 0.0000 H 0 0 0
- -4.7221 2.7748 0.0000 H 0 0 0
- -5.3523 1.1630 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 9 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 12 17 1 0
- 13 18 1 0
- 14 19 2 0
- 14 20 1 0
- 8 11 1 0
- 10 13 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 15 27 1 0
- 15 28 1 0
- 18 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-329-65-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.1677 0.2199 -0.4627 C 0 0 0
- 0.5753 -0.8660 -0.0387 C 0 0 0
- 0.4310 1.4580 -0.6045 C 0 0 0
- -1.6320 0.0525 -0.7769 C 0 0 2
- 1.9231 -0.7151 0.2451 C 0 0 0
- 1.7753 1.6155 -0.3230 C 0 0 0
- -2.4569 0.3054 0.4867 C 0 0 0
- -1.8701 -1.2772 -1.2430 O 0 0 0
- 2.5257 0.5311 0.1023 C 0 0 0
- 2.6553 -1.7823 0.6627 O 0 0 0
- -3.8843 0.1421 0.1804 N 0 0 0
- 3.8483 0.6843 0.3797 O 0 0 0
- -4.6157 0.3971 1.4286 C 0 0 0
- 0.1533 -1.7871 0.0000 H 0 0 0
- -0.1564 2.2834 0.0000 H 0 0 0
- -1.5391 1.0614 0.0000 H 0 0 0
- 2.1925 2.5388 0.0000 H 0 0 0
- -1.8167 1.0907 0.0000 H 0 0 0
- -2.9430 1.1943 0.0000 H 0 0 0
- -2.0487 -2.2745 0.0000 H 0 0 0
- 3.2285 -2.6177 0.0000 H 0 0 0
- -3.9963 -0.8648 0.0000 H 0 0 0
- 4.8547 0.8009 0.0000 H 0 0 0
- -4.2822 1.3538 0.0000 H 0 0 0
- -5.5724 0.7306 0.0000 H 0 0 0
- -4.9492 -0.5596 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 6 9 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 10 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-118-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.6567 -0.1794 0.0363 C 0 0 0
- 0.2289 0.1766 0.1202 C 0 0 0
- 2.6325 0.8260 -0.0132 C 0 0 0
- 2.0463 -1.5216 0.0114 C 0 0 0
- -0.7106 -0.7878 0.0613 O 0 0 0
- -0.1011 1.3397 0.2424 O 0 0 0
- 3.9731 0.4791 -0.0921 C 0 0 0
- 2.2672 2.1320 0.0154 O 0 0 0
- 3.3825 -1.8475 -0.0672 C 0 0 0
- -2.0264 -0.4521 0.0054 C 0 0 0
- 4.3434 -0.8506 -0.1217 C 0 0 0
- -2.9992 -1.4364 0.1002 C 0 0 0
- -2.3991 0.8765 -0.1410 C 0 0 0
- -4.3362 -1.0926 0.0430 C 0 0 0
- -3.7370 1.2150 -0.1976 C 0 0 0
- -4.7047 0.2312 -0.1086 C 0 0 0
- 1.3304 -2.2692 0.0000 H 0 0 0
- 4.6982 1.2177 0.0000 H 0 0 0
- 1.9884 3.1288 0.0000 H 0 0 0
- 3.6708 -2.8416 0.0000 H 0 0 0
- 5.3469 -1.1044 0.0000 H 0 0 0
- -2.7233 -2.4340 0.0000 H 0 0 0
- -1.6767 1.6177 0.0000 H 0 0 0
- -5.0608 -1.8317 0.0000 H 0 0 0
- -4.0160 2.2117 0.0000 H 0 0 0
- -5.7068 0.4901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 2 0
- 10 12 2 0
- 10 13 1 0
- 12 14 1 0
- 13 15 2 0
- 14 16 2 0
- 9 11 1 0
- 15 16 1 0
- 4 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-920-37-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- -0.0500 0.4887 -0.0018 C 0 0 0
- -1.3381 -0.1369 -0.0005 C 0 0 0
- 0.0451 1.8167 0.0009 C 0 0 0
- 1.3876 -0.4844 0.0002 Cl 0 0 0
- -2.3599 -0.6333 0.0006 N 0 0 0
- 0.9773 2.2694 0.0000 H 0 0 0
- -0.8130 2.3976 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 3 0
- 3 6 1 0
- 3 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22996-17-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -0.1364 0.5053 -0.0124 C 0 0 0
- -0.2516 -0.8721 0.0363 C 0 0 0
- 1.1118 1.0942 -0.0554 C 0 0 0
- -1.3525 1.3488 -0.0246 N 0 3 0
- 0.8818 -1.6640 0.0421 C 0 0 0
- -1.6155 -1.5113 0.0836 C 0 0 0
- 2.2527 0.3015 -0.0497 C 0 0 0
- -2.1547 1.2476 -0.9355 O 0 0 0
- -1.5511 2.1441 0.8763 O 0 5 0
- 2.1334 -1.0814 -0.0007 C 0 0 0
- -1.4742 -2.9325 0.1289 O 0 0 0
- 3.5169 0.8939 -0.0926 N 0 0 0
- 1.1981 2.1296 0.0000 H 0 0 0
- 0.7914 -2.6991 0.0000 H 0 0 0
- -1.9475 -0.5268 0.0000 H 0 0 0
- -2.6312 -1.7301 0.0000 H 0 0 0
- 2.9847 -1.6771 0.0000 H 0 0 0
- -1.3714 -3.9664 0.0000 H 0 0 0
- 4.3691 0.2996 0.0000 H 0 0 0
- 3.6055 1.9291 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 10 2 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55691-69-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.6602 0.0642 0.0049 C 0 0 0
- -0.7977 0.0732 0.0053 C 0 0 0
- 1.4306 1.1010 0.0653 C 0 0 0
- 1.4417 -1.1692 -0.0731 C 0 0 0
- -1.3981 1.2371 0.0727 C 0 0 0
- -1.4559 -1.2421 -0.0716 C 0 0 0
- 2.8213 0.6212 0.0380 C 0 0 0
- 0.7564 2.4111 0.1413 C 0 0 0
- 2.8368 -0.7043 -0.0432 C 0 0 0
- 0.7761 -2.2949 -0.1441 C 0 0 0
- -0.5640 2.4572 0.1434 C 0 0 0
- -2.7505 1.3206 0.0770 N 0 3 0
- -0.6956 -2.3204 -0.1350 C 0 0 0
- -2.8071 -1.3435 -0.0767 N 0 3 0
- 4.1000 1.3547 0.0822 C 0 0 0
- 4.1190 -1.4240 -0.0878 C 0 0 0
- -3.3220 1.9916 -0.7636 O 0 0 0
- -3.3947 0.7245 0.9215 O 0 5 0
- -3.3698 -2.0259 0.7607 O 0 0 0
- -3.4590 -0.7522 -0.9187 O 0 5 0
- 5.2428 0.7074 0.0456 C 0 0 0
- 5.2551 -0.7628 -0.0443 C 0 0 0
- 1.3007 3.2693 0.0000 H 0 0 0
- 1.2873 -3.1732 0.0000 H 0 0 0
- -1.0225 3.3641 0.0000 H 0 0 0
- -1.1555 -3.2266 0.0000 H 0 0 0
- 4.0972 2.3709 0.0000 H 0 0 0
- 4.1269 -2.4402 0.0000 H 0 0 0
- 6.1186 1.2228 0.0000 H 0 0 0
- 6.1382 -1.2657 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 12 17 2 0
- 12 18 1 0
- 14 19 2 0
- 14 20 1 0
- 15 21 2 0
- 16 22 2 0
- 7 9 2 0
- 8 11 2 0
- 10 13 1 0
- 21 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 15 27 1 0
- 16 28 1 0
- 21 29 1 0
- 22 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-484-47-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 42 1 V2000
- 0.3262 0.7184 0.0203 C 0 0 0
- 0.2830 -0.6655 -0.0093 C 0 0 0
- 1.5351 1.5652 0.0361 C 0 0 0
- -0.9806 1.1478 0.0262 N 0 0 0
- 1.4519 -1.5758 -0.0301 C 0 0 0
- -1.0078 -1.0344 -0.0155 N 0 0 0
- 1.7238 2.5373 -0.9489 C 0 0 0
- 2.4933 1.4019 1.0397 C 0 0 0
- -1.7706 0.0347 0.0004 C 0 0 0
- 1.5410 -2.6216 0.8878 C 0 0 0
- 2.4647 -1.3935 -0.9716 C 0 0 0
- 2.8558 3.3253 -0.9277 C 0 0 0
- 3.6201 2.1968 1.0485 C 0 0 0
- -3.2490 0.0329 -0.0035 C 0 0 0
- 2.6319 -3.4665 0.8633 C 0 0 0
- 3.5504 -2.2446 -0.9862 C 0 0 0
- 3.8030 3.1546 0.0662 C 0 0 0
- -3.9466 -0.8796 -0.7962 C 0 0 0
- -3.9532 0.9400 0.7903 C 0 0 0
- 3.6357 -3.2774 -0.0694 C 0 0 0
- -5.3264 -0.8763 -0.7948 C 0 0 0
- -5.3325 0.9327 0.7824 C 0 0 0
- -6.0182 0.0288 -0.0099 C 0 0 0
- -1.2920 2.0938 0.0000 H 0 0 0
- 0.8892 3.0808 0.0000 H 0 0 0
- 2.7133 0.4306 0.0000 H 0 0 0
- 0.6662 -3.0977 0.0000 H 0 0 0
- 2.7047 -0.4269 0.0000 H 0 0 0
- 2.6434 4.2983 0.0000 H 0 0 0
- 4.4572 1.6572 0.0000 H 0 0 0
- 2.3987 -4.4347 0.0000 H 0 0 0
- 4.4272 -1.7722 0.0000 H 0 0 0
- 4.6239 3.7185 0.0000 H 0 0 0
- -3.5064 -1.7730 0.0000 H 0 0 0
- -3.5176 1.8356 0.0000 H 0 0 0
- 4.4279 -3.8810 0.0000 H 0 0 0
- -5.7688 -1.7686 0.0000 H 0 0 0
- -5.7778 1.8235 0.0000 H 0 0 0
- -7.0141 0.0270 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 2 0
- 14 18 2 0
- 14 19 1 0
- 15 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 6 9 2 0
- 13 17 1 0
- 16 20 1 0
- 22 23 1 0
- 4 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 23 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1609-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 1.1672 -0.0971 -0.0007 C 0 0 0
- 0.0000 0.5768 0.0002 O 0 0 0
- 2.3321 0.5754 0.0001 O 0 0 0
- 1.1672 -1.3112 0.0029 O 0 0 0
- -1.1672 -0.0971 -0.0006 C 0 0 0
- 3.5896 -0.1506 -0.0008 C 0 0 0
- -2.3321 0.5754 0.0002 O 0 0 0
- -1.1672 -1.3112 -0.0021 O 0 0 0
- 4.7525 0.8437 0.0004 C 0 0 0
- -3.5896 -0.1506 -0.0006 C 0 0 0
- -4.7525 0.8437 0.0006 C 0 0 0
- 2.9885 -0.9633 0.0000 H 0 0 0
- 4.3291 -0.8397 0.0000 H 0 0 0
- 5.4094 0.0754 0.0000 H 0 0 0
- 5.5208 1.5006 0.0000 H 0 0 0
- 4.0956 1.6120 0.0000 H 0 0 0
- -4.3291 -0.8397 0.0000 H 0 0 0
- -2.9885 -0.9633 0.0000 H 0 0 0
- -4.0956 1.6120 0.0000 H 0 0 0
- -5.5208 1.5006 0.0000 H 0 0 0
- -5.4094 0.0754 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 2 0
- 6 9 1 0
- 7 10 1 0
- 10 11 1 0
- 6 12 1 0
- 6 13 1 0
- 9 14 1 0
- 9 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1068-57-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- 0.4940 0.0108 -0.0014 C 0 0 0
- -0.6670 0.6953 0.0009 N 0 0 0
- 1.8059 0.7525 0.0001 C 0 0 0
- 0.4830 -1.2019 0.0005 O 0 0 0
- -1.8562 0.0230 -0.0004 N 0 0 0
- -0.6578 1.7129 0.0000 H 0 0 0
- 2.3068 -0.1334 0.0000 H 0 0 0
- 2.6918 1.2534 0.0000 H 0 0 0
- 1.3050 1.6384 0.0000 H 0 0 0
- -2.7329 0.5398 0.0000 H 0 0 0
- -1.8654 -0.9947 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-96-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.4844 0.0806 -0.3540 C 0 0 0
- -0.7425 0.7454 0.2736 C 0 0 0
- 1.7416 0.8621 0.0326 C 0 0 0
- 0.5936 -1.2627 0.1213 O 0 0 0
- -1.9496 -0.0050 -0.0976 N 0 0 0
- -0.4005 -0.4962 0.0000 H 0 0 0
- -0.0872 1.5738 0.0000 H 0 0 0
- -1.4460 1.5333 0.0000 H 0 0 0
- 2.2992 -0.0350 0.0000 H 0 0 0
- 2.6387 1.4197 0.0000 H 0 0 0
- 1.1840 1.7592 0.0000 H 0 0 0
- 0.6792 -2.3155 0.0000 H 0 0 0
- -2.8811 0.4931 0.0000 H 0 0 0
- -1.9152 -1.0607 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-84-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 1.2127 -0.5705 -0.1034 C 0 0 0
- -0.1237 -0.2786 0.5820 C 0 0 0
- 2.1825 0.4751 0.2490 N 0 0 0
- 1.7377 -1.9305 0.3611 C 0 0 0
- -1.2623 -0.4538 -0.4249 C 0 0 0
- 3.3783 0.2350 -0.5698 C 0 0 0
- 1.6107 1.7506 -0.2027 C 0 0 0
- -2.5453 -0.1734 0.2333 N 0 0 0
- -2.5400 1.2546 0.5777 C 0 0 0
- -3.5902 -0.3587 -0.7826 C 0 0 0
- 0.5450 -1.3494 0.0000 H 0 0 0
- 0.4691 0.5587 0.0000 H 0 0 0
- -0.6632 0.5940 0.0000 H 0 0 0
- 0.7806 -2.3000 0.0000 H 0 0 0
- 2.1072 -2.8876 0.0000 H 0 0 0
- 2.6948 -1.5610 0.0000 H 0 0 0
- -1.8552 -1.2911 0.0000 H 0 0 0
- -0.7229 -1.3265 0.0000 H 0 0 0
- 3.1763 -0.7709 0.0000 H 0 0 0
- 4.3842 0.0330 0.0000 H 0 0 0
- 3.5803 1.2409 0.0000 H 0 0 0
- 2.5469 2.1703 0.0000 H 0 0 0
- 1.1910 2.6868 0.0000 H 0 0 0
- 0.6745 1.3309 0.0000 H 0 0 0
- -1.5141 1.2508 0.0000 H 0 0 0
- -2.5362 2.2805 0.0000 H 0 0 0
- -3.5659 1.2584 0.0000 H 0 0 0
- -3.7693 0.6515 0.0000 H 0 0 0
- -4.6004 -0.5378 0.0000 H 0 0 0
- -3.4111 -1.3689 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 8 9 1 0
- 8 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-527-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- -1.2792 0.6700 0.0014 C 0 0 0
- -1.2792 -0.6701 0.0007 C 0 0 0
- 0.0000 1.4086 0.0009 C 0 0 0
- -2.5843 1.4235 -0.0037 C 0 0 0
- 0.0000 -1.4086 -0.0001 C 0 0 0
- -2.5843 -1.4236 0.0011 C 0 0 0
- 1.2792 0.6701 -0.0003 C 0 0 0
- 0.0000 2.6230 0.0012 O 0 0 0
- 1.2792 -0.6700 -0.0006 C 0 0 0
- 0.0000 -2.6230 0.0001 O 0 0 0
- 2.5843 1.4236 -0.0003 C 0 0 0
- 2.5843 -1.4235 -0.0009 C 0 0 0
- -2.0304 2.3829 0.0000 H 0 0 0
- -3.5437 1.9774 0.0000 H 0 0 0
- -3.1382 0.4641 0.0000 H 0 0 0
- -3.1382 -0.4642 0.0000 H 0 0 0
- -3.5437 -1.9775 0.0000 H 0 0 0
- -2.0304 -2.3830 0.0000 H 0 0 0
- 3.1382 0.4642 0.0000 H 0 0 0
- 3.5437 1.9775 0.0000 H 0 0 0
- 2.0304 2.3830 0.0000 H 0 0 0
- 2.0304 -2.3829 0.0000 H 0 0 0
- 3.5437 -1.9774 0.0000 H 0 0 0
- 3.1382 -0.4641 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 9 12 1 0
- 7 9 2 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1025-15-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 33 1 V2000
- 1.1358 -0.8250 0.3419 N 0 0 0
- 0.0306 -1.4390 -0.1251 C 0 0 0
- 1.1078 0.4935 0.6194 C 0 0 0
- 2.3658 -1.5922 0.5535 C 0 0 0
- -1.1026 -0.7344 -0.3145 N 0 0 0
- 0.0560 -2.6277 -0.3758 O 0 0 0
- -0.0254 1.1981 0.4301 N 0 0 0
- 2.1044 1.0472 1.0400 O 0 0 0
- 3.1932 -1.5723 -0.7060 C 0 0 0
- -1.1307 0.5841 -0.0364 C 0 0 0
- -2.3039 -1.4017 -0.8220 C 0 0 0
- -0.0555 2.6316 0.7309 C 0 0 0
- 4.4019 -1.0675 -0.6877 C 0 0 0
- -2.1526 1.2192 -0.2064 O 0 0 0
- -3.1180 -1.9195 0.3357 C 0 0 0
- 0.3358 3.4111 -0.4981 C 0 0 0
- -4.3456 -1.4982 0.5135 C 0 0 0
- -0.5008 4.2729 -1.0211 C 0 0 0
- 1.6207 -2.1989 0.0000 H 0 0 0
- 2.6986 -2.4936 0.0000 H 0 0 0
- 3.3933 -2.5121 0.0000 H 0 0 0
- -2.3070 -0.4409 0.0000 H 0 0 0
- -3.1469 -0.9406 0.0000 H 0 0 0
- -0.7063 3.3385 0.0000 H 0 0 0
- -0.9469 2.2730 0.0000 H 0 0 0
- 5.1659 -1.6502 0.0000 H 0 0 0
- 4.5245 -0.1145 0.0000 H 0 0 0
- -3.0049 -2.8737 0.0000 H 0 0 0
- 1.2855 3.5572 0.0000 H 0 0 0
- -4.5299 -0.5552 0.0000 H 0 0 0
- -5.0701 -2.1293 0.0000 H 0 0 0
- -0.2384 5.1972 0.0000 H 0 0 0
- -1.4325 4.0380 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 7 12 1 0
- 9 13 2 0
- 10 14 2 0
- 11 15 1 0
- 12 16 1 0
- 15 17 2 0
- 16 18 2 0
- 7 10 1 0
- 4 19 1 0
- 4 20 1 0
- 9 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-98601-00-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 40 1 V2000
- -0.8409 -0.2846 0.0845 C 0 0 0
- -2.2727 -0.5985 0.0369 C 0 0 0
- -0.4383 1.0690 0.0058 C 0 0 0
- 0.1178 -1.2884 0.2105 C 0 0 0
- -3.1967 0.4634 -0.0857 C 0 0 0
- -2.7345 -1.9136 0.1103 C 0 0 0
- 0.9278 1.3881 0.0511 C 0 0 0
- -1.4137 2.0852 -0.1169 C 0 0 0
- 1.4613 -0.9450 0.2528 C 0 0 0
- -2.7305 1.7965 -0.1603 C 0 0 0
- -4.5679 0.1739 -0.1311 C 0 0 0
- -4.0767 -2.1630 0.0634 C 0 0 0
- 1.8557 0.4007 0.1698 C 0 0 0
- -0.9721 3.5236 -0.2005 C 0 0 0
- 2.4991 -1.9892 0.3853 C 0 0 0
- -4.9890 -1.1215 -0.0573 C 0 0 0
- 3.3238 0.7391 0.2200 C 0 0 2
- 3.7509 -1.7116 0.0484 C 0 0 0
- 4.1306 -0.3520 -0.4805 C 0 0 1
- 3.7427 0.8409 1.5825 O 0 0 0
- 3.8882 -0.2945 -1.8876 O 0 0 0
- -0.1709 -2.2961 0.0000 H 0 0 0
- -2.0525 -2.7096 0.0000 H 0 0 0
- 1.2310 2.3915 0.0000 H 0 0 0
- -3.4257 2.5810 0.0000 H 0 0 0
- -5.2687 0.9534 0.0000 H 0 0 0
- -4.4202 -3.1533 0.0000 H 0 0 0
- 0.0300 3.2160 0.0000 H 0 0 0
- -0.6645 4.5257 0.0000 H 0 0 0
- -1.9742 3.8312 0.0000 H 0 0 0
- 2.2043 -2.9951 0.0000 H 0 0 0
- -6.0158 -1.3324 0.0000 H 0 0 0
- 3.0823 1.7591 0.0000 H 0 0 0
- 4.4718 -2.4726 0.0000 H 0 0 0
- 5.1615 -0.1621 0.0000 H 0 0 0
- 4.7613 1.0884 0.0000 H 0 0 0
- 2.8683 -0.0526 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 2 0
- 17 19 1 0
- 17 20 1 0
- 19 21 1 0
- 8 10 2 0
- 9 13 2 0
- 12 16 1 0
- 18 19 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6052-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 3.4622 0.5763 0.0613 C 0 0 0
- 4.2621 0.0387 -0.6673 O 0 0 0
- 3.7482 1.7679 0.6091 O 0 0 0
- 2.1407 -0.0880 0.3501 C 0 0 0
- 0.9964 0.8246 -0.1154 C 0 0 0
- 2.0707 -1.3688 -0.3632 N 0 0 0
- -0.2832 0.0318 -0.0182 C 0 0 0
- 0.9584 -2.1427 0.2062 C 0 0 0
- -1.6560 0.4774 -0.0589 C 0 0 0
- -0.3008 -1.3135 0.1330 C 0 0 0
- -2.4483 -0.6926 0.0811 C 0 0 0
- -2.2456 1.7379 -0.1981 C 0 0 0
- -1.5943 -1.7528 0.1956 N 0 0 0
- -3.8391 -0.6117 0.0824 C 0 0 0
- -3.6175 1.7870 -0.1927 C 0 0 0
- -4.3946 0.6481 -0.0579 C 0 0 0
- 3.9894 2.7727 0.0000 H 0 0 0
- 1.1978 -0.5108 0.0000 H 0 0 0
- 1.7286 1.5537 0.0000 H 0 0 0
- 0.3555 1.6352 0.0000 H 0 0 0
- 2.9732 -1.8721 0.0000 H 0 0 0
- 0.2855 -2.9269 0.0000 H 0 0 0
- 1.6511 -2.9095 0.0000 H 0 0 0
- -1.6754 2.5997 0.0000 H 0 0 0
- -1.8825 -2.7451 0.0000 H 0 0 0
- -4.4284 -1.4606 0.0000 H 0 0 0
- -4.0838 2.7092 0.0000 H 0 0 0
- -5.4236 0.7428 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 4 1 0
- 6 4 1 0
- 7 5 1 0
- 8 6 1 0
- 9 7 1 0
- 10 7 2 0
- 11 9 2 0
- 12 9 1 0
- 13 10 1 0
- 14 11 1 0
- 15 12 2 0
- 16 14 2 0
- 8 10 1 0
- 11 13 1 0
- 15 16 1 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 8 22 1 0
- 8 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67730-10-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- 0.9399 -0.4206 -0.0012 N 0 0 0
- -0.4235 -0.2127 -0.0006 C 0 0 0
- 1.5425 0.8142 -0.0005 C 0 0 0
- 1.6953 -1.5591 0.0027 C 0 0 0
- -0.6085 1.1813 0.0006 C 0 0 0
- -1.4704 -1.0267 -0.0008 N 0 0 0
- 0.6106 1.7545 0.0006 N 0 0 0
- 2.9527 0.8979 -0.0009 C 0 0 0
- 3.0424 -1.4916 0.0018 C 0 0 0
- -1.9147 1.6949 0.0011 C 0 0 0
- -2.7062 -0.5591 0.0000 C 0 0 0
- 3.6895 -0.2439 -0.0021 C 0 0 0
- -2.9603 0.8129 0.0004 C 0 0 0
- -3.7742 -1.4516 -0.0008 N 0 0 0
- 1.2320 -2.4770 0.0000 H 0 0 0
- 3.4177 1.8150 0.0000 H 0 0 0
- 3.5983 -2.3566 0.0000 H 0 0 0
- -2.0816 2.7095 0.0000 H 0 0 0
- 4.7166 -0.1953 0.0000 H 0 0 0
- -3.9285 1.1592 0.0000 H 0 0 0
- -4.7397 -1.0980 0.0000 H 0 0 0
- -3.5977 -2.4646 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 2 0
- 11 14 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
- 12 19 1 0
- 13 20 1 0
- 14 21 1 0
- 14 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78468-34-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- -1.1109 0.1122 0.0037 C 0 0 0
- -0.4657 -1.1086 0.0031 C 0 0 0
- -0.3767 1.2843 0.0027 C 0 0 0
- -2.5900 0.1665 -0.0006 N 0 3 0
- 0.9228 -1.1586 0.0014 C 0 0 0
- 1.0052 1.2381 0.0010 C 0 0 0
- -3.1599 1.2429 -0.0001 O 0 0 0
- -3.2373 -0.8653 -0.0048 O 0 5 0
- 1.6570 0.0203 0.0004 C 0 0 0
- 1.5787 -2.3918 0.0003 N 0 0 0
- 3.1632 -0.0291 -0.0019 C 0 0 0
- 3.6834 1.3018 -0.0026 O 0 0 0
- -1.0181 -1.9891 0.0000 H 0 0 0
- -0.8649 2.2020 0.0000 H 0 0 0
- 1.5542 2.1208 0.0000 H 0 0 0
- 1.0280 -3.2734 0.0000 H 0 0 0
- 2.6175 -2.4279 0.0000 H 0 0 0
- 3.0119 -1.0575 0.0000 H 0 0 0
- 4.1679 -0.2957 0.0000 H 0 0 0
- 4.0618 2.2699 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 9 11 1 0
- 11 12 1 0
- 6 9 1 0
- 2 13 1 0
- 3 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-42286-46-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- -0.0766 0.2007 -0.0020 C 0 0 0
- -1.4012 0.6925 -0.0014 C 0 0 0
- 0.9974 1.1064 -0.0003 C 0 0 0
- 0.1953 -1.2380 0.0015 C 0 0 0
- -2.5139 -0.1787 -0.0026 C 0 0 0
- -1.6166 2.0894 0.0011 C 0 0 0
- 2.3692 0.5832 -0.0005 C 0 0 0
- 0.7536 2.4900 0.0021 C 0 0 0
- 1.4960 -1.7057 0.0009 C 0 0 0
- -0.9324 -2.1848 0.0054 C 0 0 0
- -2.3205 -1.6360 -0.0047 C 0 0 0
- -3.8034 0.3503 -0.0014 C 0 0 0
- -0.5149 2.9700 0.0024 C 0 0 0
- -2.9317 2.5879 0.0018 C 0 0 0
- 2.5862 -0.8143 -0.0025 C 0 0 0
- 3.4640 1.4508 0.0007 C 0 0 0
- -0.7377 -3.3841 0.0080 O 0 0 0
- -3.2780 -2.3839 -0.0054 O 0 0 0
- -3.9998 1.7228 0.0010 C 0 0 0
- 3.9037 -1.3050 -0.0031 C 0 0 0
- 4.7416 0.9382 0.0000 C 0 0 0
- 4.9538 -0.4356 -0.0019 C 0 0 0
- 1.5654 3.1624 0.0000 H 0 0 0
- 1.6744 -2.7445 0.0000 H 0 0 0
- -4.6349 -0.2975 0.0000 H 0 0 0
- -0.6790 4.0112 0.0000 H 0 0 0
- -3.0988 3.6286 0.0000 H 0 0 0
- 3.3124 2.4939 0.0000 H 0 0 0
- -4.9810 2.1078 0.0000 H 0 0 0
- 4.0794 -2.3443 0.0000 H 0 0 0
- 5.5670 1.5938 0.0000 H 0 0 0
- 5.9392 -0.8099 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 6 14 1 0
- 7 15 2 0
- 7 16 1 0
- 10 17 2 0
- 11 18 2 0
- 12 19 1 0
- 15 20 1 0
- 16 21 2 0
- 20 22 2 0
- 8 13 2 0
- 9 15 1 0
- 10 11 1 0
- 14 19 2 0
- 21 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 19 29 1 0
- 20 30 1 0
- 21 31 1 0
- 22 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2945-96-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 61 1 V2000
- 2.5407 -1.8098 0.2323 C 0 0 0
- 3.0646 -2.9687 -0.3734 C 0 0 0
- 3.3960 -0.8302 0.7351 C 0 0 0
- 1.1917 -1.6428 0.3220 N 0 0 0
- 4.4033 -3.1548 -0.4789 C 0 0 0
- 1.9648 -4.1935 -1.0018 S 0 0 0
- 4.7893 -1.0119 0.6310 C 0 0 0
- 2.8922 0.2858 1.3179 O 0 0 0
- 0.6532 -0.5317 -0.0513 N 0 0 0
- 5.2963 -2.1850 0.0186 C 0 0 0
- 1.7154 -3.8316 -2.3531 O 0 0 0
- 2.4880 -5.4414 -0.5678 O 0 0 0
- 0.6367 -4.0274 -0.2773 O 0 0 0
- 5.6831 -0.0485 1.1257 C 0 0 0
- -0.6966 -0.3645 0.0385 C 0 0 0
- 6.6855 -2.3655 -0.0850 C 0 0 0
- 7.0403 -0.2575 1.0081 C 0 0 0
- -1.2840 0.8455 -0.3679 C 0 0 0
- -1.4994 -1.3998 0.5302 C 0 0 0
- 7.5323 -1.4181 0.4007 C 0 0 0
- 7.9329 0.6985 1.4990 N 0 0 0
- -2.6523 1.0082 -0.2747 C 0 0 0
- -0.5094 1.8511 -0.8500 O 0 0 0
- -2.8510 -1.2359 0.6209 C 0 0 0
- -3.4439 -0.0316 0.2232 C 0 0 0
- -1.3879 2.9311 -1.1723 C 0 0 0
- -3.7089 -2.3555 1.1515 C 0 0 0
- -4.7964 0.1261 0.3170 N 0 0 0
- -5.3439 1.2338 -0.0535 N 0 0 0
- -6.6951 1.3913 0.0402 C 0 0 0
- -7.2910 2.5922 -0.3612 C 0 0 0
- -7.4905 0.3501 0.5329 C 0 0 0
- -8.6552 2.7472 -0.2649 C 0 0 0
- -8.8536 0.5130 0.6260 C 0 0 0
- -9.4419 1.7115 0.2309 C 0 0 0
- -10.8214 1.8725 0.3271 N 0 0 0
- 7.1561 16.3851 -0.6317 Na 0 3 0
- 4.7426 -4.1013 0.0000 H 0 0 0
- 2.4785 1.2022 0.0000 H 0 0 0
- 5.3525 0.9011 0.0000 H 0 0 0
- 7.0360 -3.3079 0.0000 H 0 0 0
- -1.1122 -2.3277 0.0000 H 0 0 0
- 8.5242 -1.5825 0.0000 H 0 0 0
- 8.9125 0.4717 0.0000 H 0 0 0
- 7.6395 1.6602 0.0000 H 0 0 0
- -3.0447 1.9340 0.0000 H 0 0 0
- -0.6079 3.5656 0.0000 H 0 0 0
- -2.0224 3.7111 0.0000 H 0 0 0
- -2.1679 2.2966 0.0000 H 0 0 0
- -4.5070 -1.7440 0.0000 H 0 0 0
- -4.3204 -3.1536 0.0000 H 0 0 0
- -2.9108 -2.9670 0.0000 H 0 0 0
- -6.7136 3.4154 0.0000 H 0 0 0
- -7.0992 -0.5761 0.0000 H 0 0 0
- -9.0505 3.6717 0.0000 H 0 0 0
- -9.4351 -0.3072 0.0000 H 0 0 0
- -11.2198 2.7957 0.0000 H 0 0 0
- -11.4217 1.0659 0.0000 H 0 0 0
- -0.3610 -3.9026 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 14 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 2 0
- 17 21 1 0
- 18 22 2 0
- 18 23 1 0
- 19 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 28 29 2 0
- 29 30 1 0
- 30 31 2 0
- 30 32 1 0
- 31 33 1 0
- 32 34 2 0
- 33 35 2 0
- 35 36 1 0
- 7 10 2 0
- 17 20 1 0
- 24 25 2 0
- 34 35 1 0
- 5 38 1 0
- 8 39 1 0
- 14 40 1 0
- 16 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 26 47 1 0
- 26 48 1 0
- 26 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
- 31 53 1 0
- 32 54 1 0
- 33 55 1 0
- 34 56 1 0
- 36 57 1 0
- 36 58 1 0
- 13 59 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-110-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.7262 -0.4021 0.0000 C 0 0 0
- -0.5760 0.4010 0.0000 C 0 0 0
- 1.9175 0.5580 0.0000 C 0 0 0
- -1.7673 -0.5591 0.0000 C 0 0 0
- 3.2198 -0.2451 0.0000 C 0 0 0
- -3.0176 0.2120 0.0000 N 0 0 0
- 0.0173 -1.3045 0.0000 H 0 0 0
- 1.5426 -1.2085 0.0000 H 0 0 0
- 0.1329 1.3034 0.0000 H 0 0 0
- -1.3924 1.2074 0.0000 H 0 0 0
- 2.6264 1.4604 0.0000 H 0 0 0
- 1.1010 1.3643 0.0000 H 0 0 0
- -2.4762 -1.4615 0.0000 H 0 0 0
- -0.9509 -1.3655 0.0000 H 0 0 0
- 2.6175 -1.2218 0.0000 H 0 0 0
- 4.1965 -0.8474 0.0000 H 0 0 0
- 3.8221 0.7316 0.0000 H 0 0 0
- -2.9843 1.3590 0.0000 H 0 0 0
- -4.0276 -0.3327 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 1 7 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2479-46-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 0.8522 0.3662 0.9039 C 0 0 0
- -0.0462 0.0066 -0.0895 C 0 0 0
- 1.6803 1.4277 0.7199 O 0 0 0
- 0.9008 -0.3555 2.0883 C 0 0 0
- -0.8900 -1.0767 0.1015 C 0 0 0
- 2.8428 0.9362 0.2137 C 0 0 0
- 0.0549 -1.4317 2.2783 C 0 0 0
- -1.7711 -1.4319 -0.8700 O 0 0 0
- -0.8337 -1.7985 1.2861 C 0 0 0
- 3.9399 1.7709 0.0608 C 0 0 0
- 2.9325 -0.4013 -0.1443 C 0 0 0
- -2.8899 -0.6830 -0.6788 C 0 0 0
- 5.1210 1.2725 -0.4533 C 0 0 0
- 4.1125 -0.9010 -0.6584 C 0 0 0
- -3.9143 -0.7156 -1.6140 C 0 0 0
- -3.0089 0.1087 0.4539 C 0 0 0
- 5.2098 -0.0645 -0.8171 C 0 0 0
- -5.0506 0.0445 -1.4206 C 0 0 0
- -4.1450 0.8697 0.6488 C 0 0 0
- 6.4058 -0.5701 -1.3385 N 0 0 0
- -5.1681 0.8419 -0.2895 C 0 0 0
- -6.3191 1.6128 -0.0930 N 0 0 0
- -0.6279 0.7799 0.0000 H 0 0 0
- 1.8254 -0.6410 0.0000 H 0 0 0
- 0.6390 -2.2032 0.0000 H 0 0 0
- -1.3401 -2.6231 0.0000 H 0 0 0
- 3.8187 2.7309 0.0000 H 0 0 0
- 2.1442 -0.9624 0.0000 H 0 0 0
- 5.9092 1.8339 0.0000 H 0 0 0
- 4.2335 -1.8611 0.0000 H 0 0 0
- -4.1807 -1.6459 0.0000 H 0 0 0
- -2.1916 0.6267 0.0000 H 0 0 0
- -5.8685 -0.4726 0.0000 H 0 0 0
- -3.8762 1.7993 0.0000 H 0 0 0
- 6.5251 -1.5304 0.0000 H 0 0 0
- 7.1778 0.0134 0.0000 H 0 0 0
- -6.2548 2.5783 0.0000 H 0 0 0
- -7.1874 1.1858 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 2 0
- 12 15 1 0
- 12 16 2 0
- 13 17 2 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 21 22 1 0
- 7 9 2 0
- 14 17 1 0
- 19 21 2 0
- 2 23 1 0
- 4 24 1 0
- 7 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 18 33 1 0
- 19 34 1 0
- 20 35 1 0
- 20 36 1 0
- 22 37 1 0
- 22 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-191-26-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 39 1 V2000
- 0.5273 -0.4643 -0.0023 C 0 0 0
- -0.5272 0.4638 -0.0015 C 0 0 0
- 1.8551 -0.0113 -0.0010 C 0 0 0
- 0.2331 -1.8988 0.0017 C 0 0 0
- -1.8551 0.0110 -0.0011 C 0 0 0
- -0.2330 1.8984 -0.0005 C 0 0 0
- 2.1341 1.3786 0.0014 C 0 0 0
- 2.9119 -0.9525 -0.0018 C 0 0 0
- -1.0887 -2.3200 0.0067 C 0 0 0
- 1.3491 -2.8427 0.0007 C 0 0 0
- -2.1341 -1.3789 -0.0007 C 0 0 0
- -2.9117 0.9525 -0.0003 C 0 0 0
- 1.0883 2.3199 0.0001 C 0 0 0
- -1.3491 2.8428 0.0003 C 0 0 0
- 3.4754 1.7992 0.0027 C 0 0 0
- 2.6202 -2.3834 -0.0044 C 0 0 0
- 4.2287 -0.4888 -0.0004 C 0 0 0
- -3.4761 -1.7991 -0.0002 C 0 0 0
- -2.6199 2.3837 -0.0009 C 0 0 0
- -4.2283 0.4894 0.0002 C 0 0 0
- 4.4914 0.8703 0.0016 C 0 0 0
- -4.4914 -0.8701 -0.0003 C 0 0 0
- -1.3108 -3.3506 0.0000 H 0 0 0
- 1.1628 -3.8804 0.0000 H 0 0 0
- 1.3102 3.3506 0.0000 H 0 0 0
- -1.1626 3.8805 0.0000 H 0 0 0
- 3.7038 2.8284 0.0000 H 0 0 0
- 3.4179 -3.0727 0.0000 H 0 0 0
- 5.0271 -1.1773 0.0000 H 0 0 0
- -3.7049 -2.8282 0.0000 H 0 0 0
- -3.4176 3.0730 0.0000 H 0 0 0
- -5.0265 1.1781 0.0000 H 0 0 0
- 5.4923 1.2015 0.0000 H 0 0 0
- -5.4924 -1.2010 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 6 14 1 0
- 7 15 2 0
- 8 16 2 0
- 8 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 2 0
- 15 21 1 0
- 18 22 2 0
- 7 13 1 0
- 9 11 2 0
- 10 16 1 0
- 14 19 2 0
- 17 21 2 0
- 20 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-103393-71-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 32 1 V2000
- 1.5825 -0.1237 -0.0413 C 0 0 0
- 0.2746 -0.7173 -0.3154 C 0 0 0
- 1.4893 1.1561 0.1182 C 0 0 0
- 2.8045 -0.9149 0.0385 C 0 0 0
- -0.6442 0.4311 -0.2954 C 0 0 0
- 0.2330 -2.0137 -0.4971 C 0 0 0
- 0.0727 1.5200 -0.0423 C 0 0 0
- 2.7480 1.8715 0.4022 C 0 0 0
- 2.6555 -2.3645 -0.1750 C 0 0 0
- 3.9240 -0.2800 0.2902 C 0 0 0
- -2.0978 0.5367 -0.4945 C 0 0 0
- 1.4493 -2.8398 -0.4284 C 0 0 0
- -0.6061 2.8272 0.0337 C 0 0 0
- 3.8754 1.1870 0.4773 C 0 0 0
- -2.6958 1.7060 -0.4249 C 0 0 0
- -2.9065 -0.7024 -0.7806 C 0 0 0
- -1.9047 2.9166 -0.1450 C 0 0 0
- -3.4738 -1.4216 0.7724 Cl 0 0 0
- -0.7335 -2.5059 0.0000 H 0 0 0
- 2.7636 2.9560 0.0000 H 0 0 0
- 3.5197 -3.0200 0.0000 H 0 0 0
- 4.8701 -0.8103 0.0000 H 0 0 0
- 1.3296 -3.9178 0.0000 H 0 0 0
- -0.0114 3.7343 0.0000 H 0 0 0
- 4.8117 1.7345 0.0000 H 0 0 0
- -3.7789 1.7635 0.0000 H 0 0 0
- -2.4749 -1.6975 0.0000 H 0 0 0
- -1.8257 -0.7940 0.0000 H 0 0 0
- -2.3878 3.8877 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 11 15 2 0
- 11 16 1 0
- 13 17 2 0
- 16 18 1 0
- 5 7 2 0
- 9 12 2 0
- 10 14 1 0
- 15 17 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- 0.8478 -1.2483 0.0000 C 0 0 0
- 0.0012 -1.2492 -0.8833 C 0 0 0
- -0.0012 1.2492 -0.8833 C 0 0 0
- -1.2493 -0.0012 0.8833 C 0 0 0
- 1.2492 0.0012 0.8834 C 0 0 0
- 0.0024 -2.4160 -0.0583 O 0 0 0
- -0.0024 2.4160 -0.0583 O 0 0 0
- -2.4160 -0.0024 0.0583 O 0 0 0
- 2.4160 0.0024 0.0583 O 0 0 0
- 0.0035 -3.5328 -0.9288 N 0 3 0
- -0.0035 3.5328 -0.9288 N 0 3 0
- -3.5328 -0.0035 0.9287 N 0 3 0
- 3.5328 0.0035 0.9288 N 0 3 0
- 0.0046 -4.6616 -0.4712 O 0 0 0
- 0.0033 -3.3647 -2.1351 O 0 5 0
- -0.0033 3.3647 -2.1351 O 0 0 0
- -0.0046 4.6616 -0.4712 O 0 5 0
- -4.6616 -0.0046 0.4712 O 0 0 0
- -3.3647 -0.0033 2.1351 O 0 5 0
- 4.6616 0.0046 0.4713 O 0 0 0
- 3.3647 0.0033 2.1352 O 0 5 0
- 0.0003 -0.4026 0.0000 H 0 0 0
- -0.8454 -1.2501 0.0000 H 0 0 0
- -0.7764 1.5895 0.0000 H 0 0 0
- -0.6250 0.6769 0.0000 H 0 0 0
- -0.5963 0.5376 0.0000 H 0 0 0
- -1.5360 0.7954 0.0000 H 0 0 0
- 1.3362 0.8433 0.0000 H 0 0 0
- 0.4207 0.1751 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 11 16 2 0
- 11 17 1 0
- 12 18 2 0
- 12 19 1 0
- 13 20 2 0
- 13 21 1 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-551-92-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- 0.3079 0.3085 -0.0533 C 0 0 0
- -0.7085 -0.5960 0.0968 N 0 0 0
- -0.2662 1.5132 -0.2341 C 0 0 0
- 1.7592 0.0190 -0.0174 N 0 3 0
- -1.8690 0.0879 0.0025 C 0 0 0
- -0.5641 -2.0369 0.3188 C 0 0 0
- -1.5968 1.3488 -0.1954 N 0 0 0
- 2.2184 -0.8782 -0.7013 O 0 0 0
- 2.4942 0.6781 0.6961 O 0 5 0
- -3.2499 -0.5064 0.1082 C 0 0 0
- 0.2184 2.3970 0.0000 H 0 0 0
- -1.5670 -2.1374 0.0000 H 0 0 0
- -0.4636 -3.0398 0.0000 H 0 0 0
- 0.4388 -1.9364 0.0000 H 0 0 0
- -3.6483 0.4194 0.0000 H 0 0 0
- -4.1757 -0.9048 0.0000 H 0 0 0
- -2.8515 -1.4322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 5 7 2 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89459-43-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -0.9702 0.5209 0.0119 C 0 0 0
- -1.9903 1.5073 -0.0432 C 0 0 0
- 0.4268 0.9648 0.0327 C 0 0 0
- -1.2704 -0.7704 0.0493 N 0 0 0
- -3.3410 1.1025 -0.0641 C 0 0 0
- -1.6435 2.8664 -0.0756 C 0 0 0
- 0.6956 2.3269 -0.0021 C 0 0 0
- 1.5241 -0.0149 0.0890 C 0 0 0
- -2.5333 -1.2009 0.0366 C 0 0 0
- -3.6116 -0.2809 -0.0286 C 0 0 0
- -4.3603 2.0261 -0.1168 N 0 0 0
- -0.3374 3.2520 -0.0547 C 0 0 0
- 2.8039 0.4071 0.1077 N 0 0 0
- 1.2757 -1.2052 0.1188 O 0 0 0
- -2.8174 -2.5800 0.0773 C 0 0 0
- -4.9329 -0.7583 -0.0461 C 0 0 0
- 3.8960 -0.5678 0.1637 C 0 0 0
- -4.1089 -3.0057 0.0638 C 0 0 0
- -5.1656 -2.0989 -0.0106 C 0 0 0
- 5.2370 0.1686 0.1743 C 0 0 0
- 6.3321 -0.8090 0.2305 N 0 0 0
- 6.3002 -1.5518 -1.0365 C 0 0 0
- 7.5840 -0.0406 0.2380 C 0 0 0
- -2.4011 3.5963 0.0000 H 0 0 0
- 1.6933 2.6606 0.0000 H 0 0 0
- -4.1383 3.0544 0.0000 H 0 0 0
- -5.3618 1.7042 0.0000 H 0 0 0
- -0.1061 4.2783 0.0000 H 0 0 0
- 3.0182 1.4370 0.0000 H 0 0 0
- -2.0319 -3.2798 0.0000 H 0 0 0
- -5.7389 -0.0822 0.0000 H 0 0 0
- 3.1112 -1.2684 0.0000 H 0 0 0
- 4.5034 -1.4267 0.0000 H 0 0 0
- -4.3132 -4.0377 0.0000 H 0 0 0
- -6.1556 -2.4545 0.0000 H 0 0 0
- 6.0218 0.8692 0.0000 H 0 0 0
- 4.6296 1.0276 0.0000 H 0 0 0
- 5.2492 -1.5067 0.0000 H 0 0 0
- 6.2551 -2.6028 0.0000 H 0 0 0
- 7.3512 -1.5969 0.0000 H 0 0 0
- 8.1343 -0.9372 0.0000 H 0 0 0
- 8.4806 0.5097 0.0000 H 0 0 0
- 7.0337 0.8560 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 1 0
- 7 12 1 0
- 9 10 1 0
- 18 19 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89213-87-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-417420 1 V2000
- 3.8538 -7.6757 5.0593 C 0 0 1
- 3.3309 -8.8522 5.8859 C 0 0 0
- 5.1029 -8.0926 4.3263 C 0 0 0
- 2.8330 -7.2672 4.0912 N 0 0 0
- 2.2054 -8.3830 6.7714 C 0 0 0
- 6.1821 -8.5101 5.0173 N 0 0 0
- 5.1369 -8.0524 3.1147 O 0 0 0
- 1.9209 -6.3335 4.4272 C 0 0 0
- 0.8933 -8.5915 6.3902 C 0 0 0
- 2.4853 -7.7490 7.9677 C 0 0 0
- 7.3963 -8.9154 4.3048 C 0 0 2
- 0.8708 -5.9133 3.4314 C 0 0 1
- 1.9453 -5.8316 5.5310 O 0 0 0
- -0.1393 -8.1611 7.2026 C 0 0 0
- 1.4530 -7.3187 8.7798 C 0 0 0
- 8.1215 -9.9660 5.1056 C 0 0 0
- 8.3062 -7.7000 4.1156 C 0 0 0
- 0.0069 -4.8946 4.0333 N 0 0 0
- 1.5495 -5.3362 2.1875 C 0 0 0
- 0.1405 -7.5222 8.3958 C 0 0 0
- 8.1264 -9.9032 6.4519 N 0 0 0
- 8.7009 -10.8681 4.5386 O 0 0 0
- 9.4561 -8.0655 3.1749 C 0 0 0
- -1.2822 -4.7940 3.6530 C 0 0 0
- 0.5537 -4.9377 1.2432 O 0 0 0
- 8.8315 -10.9245 7.2304 C 0 0 1
- 10.3660 -6.8501 2.9856 C 0 0 0
- -2.1708 -3.7461 4.2722 C 0 0 1
- -1.7270 -5.5467 2.8125 O 0 0 0
- 9.3356 -10.3111 8.5382 C 0 0 0
- 7.8900 -12.0602 7.5383 C 0 0 0
- 11.4672 -7.2000 2.0849 N 0 0 0
- -3.5140 -3.8420 3.6951 N 0 0 0
- -2.2478 -3.9711 5.7836 C 0 0 0
- 10.4133 -9.3018 8.2370 C 0 0 0
- 8.3660 -13.3075 7.6780 O 0 0 0
- 6.7067 -11.8481 7.6594 O 0 0 0
- 12.4185 -6.2605 1.7648 C 0 0 0
- -3.9774 -2.8577 2.8996 C 0 0 0
- -2.9995 -2.8324 6.4233 C 0 0 0
- 10.0964 -7.9589 8.1506 C 0 0 0
- 11.7187 -9.7198 8.0533 C 0 0 0
- 13.4519 -6.5888 0.9195 N 0 0 0
- 12.3407 -5.0584 2.2628 N 0 0 0
- -5.3988 -2.8986 2.4006 C 0 0 2
- -3.2506 -1.9392 2.5853 O 0 0 0
- -3.1949 -2.8186 7.7567 N 0 0 0
- -3.4287 -1.9283 5.7381 O 0 0 0
- 11.0828 -7.0315 7.8750 C 0 0 0
- 12.7084 -8.7966 7.7776 C 0 0 0
- -5.4087 -3.2863 0.9205 C 0 0 0
- -6.0118 -1.5781 2.5638 N 0 0 0
- 12.3919 -7.4488 7.6850 C 0 0 0
- -3.9149 -4.2409 0.5357 S 0 0 0
- -6.3583 -1.1430 3.7914 C 0 0 0
- 13.3639 -6.5385 7.4135 O 0 0 0
- -4.5021 -5.1308 -1.2152 S 0 0 0
- -6.9891 0.2153 3.9593 C 0 0 0
- -6.1628 -1.8448 4.7610 O 0 0 0
- -2.9164 -5.8171 -1.7672 C 0 0 0
- -6.3426 0.9202 5.0691 N 0 0 0
- -2.6252 -5.3459 -3.1934 C 0 0 1
- -6.7734 2.1445 5.4322 C 0 0 0
- -1.7053 -6.3294 -3.8699 C 0 0 0
- -3.8803 -5.2557 -3.9437 N 0 0 0
- -6.1081 2.8694 6.5737 C 0 0 1
- -7.6967 2.6627 4.8406 O 0 0 0
- -0.7158 -5.8857 -4.6704 N 0 0 0
- -1.8550 -7.5199 -3.6937 O 0 0 0
- -4.4760 -4.0595 -4.1192 C 0 0 0
- -5.8716 4.2646 6.1946 N 0 0 0
- -7.0146 2.8222 7.8053 C 0 0 0
- 0.1759 -6.8413 -5.3318 C 0 0 1
- -5.8149 -3.9781 -4.8060 C 0 0 1
- -3.9345 -3.0487 -3.7243 O 0 0 0
- -4.9603 4.9992 6.8626 C 0 0 0
- -6.1586 2.8907 9.0715 C 0 0 0
- -0.0410 -6.7780 -6.8451 C 0 0 0
- 1.6080 -6.4964 -5.0148 C 0 0 0
- -6.6398 -2.9614 -4.1488 N 0 0 0
- -5.6125 -3.5994 -6.2745 C 0 0 0
- -4.7171 6.4344 6.4727 C 0 0 0
- -4.3363 4.5054 7.7778 O 0 0 0
- -6.8565 3.7690 10.1120 C 0 0 0
- -5.9709 1.4815 9.6371 C 0 0 0
- -1.4276 -7.2677 -7.1747 C 0 0 0
- 2.4412 -6.1038 -5.9990 N 0 0 0
- 2.0112 -6.5717 -3.8735 O 0 0 0
- -7.9814 -3.0893 -4.1326 C 0 0 0
- -6.8821 -3.5222 -6.9258 O 0 0 0
- -3.4070 6.8605 6.9711 N 0 0 0
- -2.4480 -6.3606 -7.3894 C 0 0 0
- -1.6776 -8.6243 -7.2679 C 0 0 0
- 3.8368 -5.7820 -5.6912 C 0 0 0
- -8.8300 -2.0435 -3.4565 C 0 0 1
- -8.5057 -4.0462 -4.6621 O 0 0 0
- -2.9796 8.1198 6.7518 C 0 0 0
- -3.7201 -6.8099 -7.6918 C 0 0 0
- -2.9492 -9.0735 -7.5702 C 0 0 0
- 4.2582 -4.5649 -6.4736 C 0 0 0
- -10.2435 -2.4095 -3.5760 N 0 0 0
- -8.4492 -1.9560 -1.9772 C 0 0 0
- -1.6320 8.5581 7.2645 C 0 0 1
- -3.6793 8.9000 6.1414 O 0 0 0
- -3.9713 -8.1662 -7.7794 C 0 0 0
- 5.5639 -4.2441 -6.5657 N 0 0 0
- 3.4235 -3.8753 -7.0201 O 0 0 0
- -11.1869 -1.4481 -3.6224 C 0 0 0
- -9.2539 -0.9642 -1.3361 O 0 0 0
- -1.0562 9.5424 6.3448 N 0 0 0
- -1.7935 9.1878 8.6496 C 0 0 0
- 5.9778 -3.0544 -7.3136 C 0 0 0
- -12.6410 -1.8246 -3.7454 C 0 0 1
- -10.8657 -0.2800 -3.5652 O 0 0 0
- 0.1596 10.0678 6.5947 C 0 0 0
- -2.7819 10.2182 8.5920 O 0 0 0
- 7.2322 -2.4886 -6.6993 C 0 0 0
- -13.4591 -0.6097 -3.7751 N 0 0 0
- -12.8555 -2.6155 -5.0374 C 0 0 0
- 0.7519 11.0803 5.6486 C 0 0 1
- 0.7767 9.7261 7.5813 O 0 0 0
- 8.0617 -1.7250 -7.4374 N 0 0 0
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-150345 1 0
-150346 1 0
-152347 1 0
-153348 1 0
-153349 1 0
-154350 1 0
-156351 1 0
-156352 1 0
-157353 1 0
-157354 1 0
-158355 1 0
-161356 1 0
-161357 1 0
-162358 1 0
-163359 1 0
-164360 1 0
-164361 1 0
-165362 1 0
-166363 1 0
-166364 1 0
-168365 1 0
-170366 1 0
-170367 1 0
-173368 1 0
-175369 1 0
-176370 1 0
-178371 1 0
-178372 1 0
-179373 1 0
-180374 1 0
-182375 1 0
-182376 1 0
-182377 1 0
-183378 1 0
-183379 1 0
-183380 1 0
-184381 1 0
-184382 1 0
-185383 1 0
-188384 1 0
-188385 1 0
-189386 1 0
-189387 1 0
-189388 1 0
-190389 1 0
-190390 1 0
-191391 1 0
-191392 1 0
-192393 1 0
-194394 1 0
-197395 1 0
-198396 1 0
-199397 1 0
-200398 1 0
-201399 1 0
-204400 1 0
-204401 1 0
-205402 1 0
-205403 1 0
-205404 1 0
-206405 1 0
-206406 1 0
-208407 1 0
-208408 1 0
-208409 1 0
-209410 1 0
-209411 1 0
-210412 1 0
-210413 1 0
-211414 1 0
-213415 1 0
-213416 1 0
-214417 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-74494-65-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 50 1 V2000
- -0.7353 0.0535 -0.1233 C 0 0 0
- -2.0160 -0.4154 0.1515 C 0 0 0
- -0.5345 1.4429 -0.1520 C 0 0 0
- 0.2332 -0.8352 -0.3730 O 0 0 0
- -3.0777 0.4521 0.3520 C 0 0 0
- -2.5467 -1.8260 0.3071 C 0 0 1
- -1.6025 2.3270 0.0331 C 0 0 0
- 0.8394 1.9425 -0.3603 C 0 0 0
- 1.4913 -0.4314 -0.1590 C 0 0 0
- -4.2325 -0.2285 0.5858 O 0 0 0
- -2.8659 1.8322 0.2887 C 0 0 0
- -3.9294 -1.5758 0.9792 C 0 0 1
- -2.9069 -2.3756 -1.0889 C 0 0 0
- -1.3975 3.6664 -0.0377 O 0 0 0
- 1.8853 0.9158 -0.1726 C 0 0 0
- 1.0881 3.0969 -0.6598 O 0 0 0
- 2.4689 -1.3992 0.0879 C 0 0 0
- -4.8329 -2.4625 0.2856 O 0 0 0
- -4.4511 -2.3898 -1.1047 C 0 0 0
- -2.6624 4.2905 0.1914 C 0 0 0
- 3.2253 1.2815 -0.0048 C 0 0 0
- 3.7916 -1.0309 0.2807 C 0 0 0
- 2.1195 -2.7143 0.1401 O 0 0 0
- 4.1759 0.3038 0.2265 C 0 0 0
- 3.5902 2.5876 -0.0691 O 0 0 0
- 4.7245 -1.9873 0.5258 O 0 0 0
- 2.2406 -3.2268 -1.1884 C 0 0 0
- 5.9757 -1.3141 0.6790 C 0 0 0
- -1.6293 -2.2920 0.0000 H 0 0 0
- -3.6693 2.4752 0.0000 H 0 0 0
- -3.6268 -2.5593 0.0000 H 0 0 0
- -3.0985 -3.3866 0.0000 H 0 0 0
- -1.9527 -2.7608 0.0000 H 0 0 0
- -3.9991 -1.4654 0.0000 H 0 0 0
- -5.0756 -1.5719 0.0000 H 0 0 0
- -2.2071 5.2133 0.0000 H 0 0 0
- -3.5852 4.7458 0.0000 H 0 0 0
- -3.1177 3.3677 0.0000 H 0 0 0
- 5.1741 0.5539 0.0000 H 0 0 0
- 3.8671 3.5787 0.0000 H 0 0 0
- 1.2392 -3.4634 0.0000 H 0 0 0
- 2.4772 -4.2282 0.0000 H 0 0 0
- 3.2420 -2.9902 0.0000 H 0 0 0
- 6.4633 -2.2203 0.0000 H 0 0 0
- 6.8819 -0.8265 0.0000 H 0 0 0
- 5.4881 -0.4079 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 15 21 1 0
- 17 22 2 0
- 17 23 1 0
- 21 24 2 0
- 21 25 1 0
- 22 26 1 0
- 23 27 1 0
- 26 28 1 0
- 7 11 2 0
- 9 15 2 0
- 10 12 1 0
- 18 19 1 0
- 22 24 1 0
- 6 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 20 38 1 0
- 24 39 1 0
- 25 40 1 0
- 27 41 1 0
- 27 42 1 0
- 27 43 1 0
- 28 44 1 0
- 28 45 1 0
- 28 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67274-52-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- 2.2562 -0.3447 0.3492 N 0 0 0
- 0.8661 -0.2299 0.2372 C 0 0 0
- 3.0590 0.3700 -0.4640 C 0 0 0
- 2.8194 -1.2072 1.3206 O 0 0 0
- 0.1102 -1.3153 -0.1852 C 0 0 0
- 0.2390 0.9682 0.5539 C 0 0 0
- 3.3834 -0.1429 -1.8434 C 0 0 0
- 3.5204 1.4259 -0.0855 O 0 0 0
- -1.2619 -1.1989 -0.2942 C 0 0 0
- -1.1331 1.0781 0.4428 C 0 0 0
- -1.8826 -0.0033 0.0168 C 0 0 0
- -3.3531 0.1179 -0.1011 N 0 3 0
- -3.9013 1.1706 0.1725 O 0 0 0
- -4.0150 -0.8350 -0.4718 O 0 5 0
- 3.3604 -2.0356 0.0000 H 0 0 0
- 0.5307 -2.2109 0.0000 H 0 0 0
- 0.7847 1.7935 0.0000 H 0 0 0
- 2.5472 -0.6718 0.0000 H 0 0 0
- 3.9123 -0.9791 0.0000 H 0 0 0
- 4.2196 0.3860 0.0000 H 0 0 0
- -1.8110 -2.0220 0.0000 H 0 0 0
- -1.5567 1.9723 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 1 0
- 6 10 2 0
- 9 11 2 0
- 11 12 1 0
- 12 13 2 0
- 12 14 1 0
- 10 11 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 9 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-118-91-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- 0.0796 0.6210 0.0027 C 0 0 0
- 0.4974 -0.7126 0.0006 C 0 0 0
- 1.0309 1.6438 0.0022 C 0 0 0
- -1.3603 0.9472 -0.0006 C 0 0 0
- 1.8465 -1.0096 -0.0021 C 0 0 0
- -0.6757 -1.9923 0.0017 Cl 0 0 0
- 2.3740 1.3320 -0.0004 C 0 0 0
- -1.7595 2.2339 0.0015 O 0 0 0
- -2.1852 0.0554 -0.0053 O 0 0 0
- 2.7816 0.0091 -0.0025 C 0 0 0
- 0.7275 2.6361 0.0000 H 0 0 0
- 2.1588 -1.9991 0.0000 H 0 0 0
- 3.0813 2.0912 0.0000 H 0 0 0
- -2.0670 3.2250 0.0000 H 0 0 0
- 3.7938 -0.2192 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 2 0
- 7 10 1 0
- 3 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-108-94-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.9494 -0.0001 0.1277 C 0 0 0
- -0.2203 -1.2987 0.3928 C 0 0 0
- -0.2206 1.2986 0.3928 C 0 0 0
- -2.0826 -0.0003 -0.2897 O 0 0 0
- 1.1343 -1.2514 -0.3218 C 0 0 0
- 1.1340 1.2517 -0.3218 C 0 0 0
- 1.8966 0.0002 0.1163 C 0 0 0
- -1.2517 -1.6784 0.0000 H 0 0 0
- -0.0086 -2.3772 0.0000 H 0 0 0
- -0.0092 2.3772 0.0000 H 0 0 0
- -1.2521 1.6780 0.0000 H 0 0 0
- 0.9602 -2.3366 0.0000 H 0 0 0
- 2.1656 -1.6314 0.0000 H 0 0 0
- 2.1652 1.6320 0.0000 H 0 0 0
- 0.9596 2.3369 0.0000 H 0 0 0
- 2.7331 -0.7128 0.0000 H 0 0 0
- 2.7329 0.7134 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61477-96-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 66 1 V2000
- -3.9145 -0.6471 1.6454 C 0 0 1
- -4.5612 -1.4153 0.5720 N 0 0 0
- -2.6018 -1.3858 1.4171 C 0 0 1
- -3.7905 1.0488 0.9540 S 0 0 0
- -4.9485 -0.6800 -0.6237 C 0 0 2
- -3.4676 -2.2123 0.5042 C 0 0 0
- -1.7045 -0.5505 0.6149 N 0 0 0
- -4.9849 0.8515 -0.4349 C 0 0 0
- -6.2973 -1.1603 -1.0940 C 0 0 0
- -3.2567 -3.2467 -0.0928 O 0 0 0
- -0.3696 -0.6547 0.7689 C 0 0 0
- -6.3830 1.3265 -0.0340 C 0 0 0
- -4.4975 1.5765 -1.6910 C 0 0 0
- -6.5792 -1.1898 -2.4060 O 0 0 0
- -7.1249 -1.5189 -0.2900 O 0 0 0
- 0.5534 0.2045 -0.0563 C 0 0 0
- 0.0888 -1.4400 1.5714 O 0 0 0
- 0.2674 1.6581 0.2202 C 0 0 0
- 1.9437 -0.0950 0.2952 N 0 0 0
- -0.1306 2.4921 -0.8082 C 0 0 0
- 0.3975 2.1563 1.5028 C 0 0 0
- 2.9161 0.0390 -0.6284 C 0 0 0
- -0.3928 3.8252 -0.5547 C 0 0 0
- 0.1352 3.4898 1.7564 C 0 0 0
- 4.1951 -0.2366 -0.3051 N 0 0 0
- 2.6395 0.4083 -1.7528 O 0 0 0
- -0.2571 4.3248 0.7273 C 0 0 0
- 5.1693 -0.1026 -1.2298 C 0 0 0
- 4.5293 -0.6755 1.0500 C 0 0 0
- 6.5772 -0.4410 -0.8470 C 0 0 0
- 4.9094 0.2843 -2.3497 O 0 0 0
- 5.6481 -1.7131 1.0136 C 0 0 0
- 6.7868 -1.2103 0.2422 N 0 0 0
- 7.5119 -0.0317 -1.5039 O 0 0 0
- 8.1534 -1.5374 0.6564 C 0 0 0
- 8.6609 -0.4705 1.6286 C 0 0 0
- -4.7460 -0.3088 0.0000 H 0 0 0
- -1.9860 -2.0390 0.0000 H 0 0 0
- -4.0796 -0.4542 0.0000 H 0 0 0
- -2.0004 0.2971 0.0000 H 0 0 0
- -6.0942 2.1765 0.0000 H 0 0 0
- -7.2330 1.6153 0.0000 H 0 0 0
- -6.6718 0.4765 0.0000 H 0 0 0
- -3.7525 1.0756 0.0000 H 0 0 0
- -3.9966 2.3215 0.0000 H 0 0 0
- -5.2425 2.0774 0.0000 H 0 0 0
- -7.4720 -1.2832 0.0000 H 0 0 0
- 0.7917 -0.6610 0.0000 H 0 0 0
- 1.9099 -0.9921 0.0000 H 0 0 0
- -0.9828 2.2099 0.0000 H 0 0 0
- 1.2948 2.1288 0.0000 H 0 0 0
- -1.2900 3.8571 0.0000 H 0 0 0
- 0.9883 3.7694 0.0000 H 0 0 0
- -0.3351 5.2191 0.0000 H 0 0 0
- 3.6468 -0.8403 0.0000 H 0 0 0
- 4.2798 -1.5379 0.0000 H 0 0 0
- 4.9542 -2.2827 0.0000 H 0 0 0
- 6.1185 -2.4777 0.0000 H 0 0 0
- 7.8841 -2.3938 0.0000 H 0 0 0
- 8.9890 -1.8656 0.0000 H 0 0 0
- 9.4716 -0.8561 0.0000 H 0 0 0
- 9.0465 0.3402 0.0000 H 0 0 0
- 7.8502 -0.0849 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 2 0
- 11 16 1 0
- 11 17 2 0
- 16 18 1 0
- 16 19 1 0
- 18 20 1 0
- 18 21 2 0
- 19 22 1 0
- 20 23 2 0
- 21 24 1 0
- 22 25 1 0
- 22 26 2 0
- 23 27 1 0
- 25 28 1 0
- 25 29 1 0
- 28 30 1 0
- 28 31 2 0
- 29 32 1 0
- 30 33 1 0
- 30 34 2 0
- 33 35 1 0
- 35 36 1 0
- 3 6 1 0
- 5 8 1 0
- 24 27 2 0
- 32 33 1 0
- 1 37 1 0
- 3 38 1 0
- 5 39 1 0
- 7 40 1 0
- 12 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 16 48 1 0
- 19 49 1 0
- 20 50 1 0
- 21 51 1 0
- 23 52 1 0
- 24 53 1 0
- 27 54 1 0
- 29 55 1 0
- 29 56 1 0
- 32 57 1 0
- 32 58 1 0
- 35 59 1 0
- 35 60 1 0
- 36 61 1 0
- 36 62 1 0
- 36 63 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-105467-77-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 43 1 V2000
- -1.1740 0.1873 -0.0014 C 0 0 0
- -2.4658 -0.5133 0.0052 C 0 0 0
- -1.1533 1.6066 -0.0043 C 0 0 0
- 0.0149 -0.5327 0.0012 C 0 0 0
- -3.6591 0.2391 0.0059 C 0 0 0
- -2.5285 -1.9079 0.0111 C 0 0 0
- -0.0064 2.2768 -0.0081 N 0 0 0
- -2.4171 2.3437 -0.0037 C 0 0 0
- 1.2171 0.1876 -0.0037 C 0 0 0
- -3.5989 1.6976 0.0010 C 0 0 0
- -4.8916 -0.4267 0.0118 C 0 0 0
- -3.7543 -2.5344 0.0173 C 0 0 0
- 1.1656 1.6492 -0.0103 C 0 0 0
- 2.4679 -0.4695 -0.0015 C 0 0 0
- -4.9277 -1.7911 0.0176 C 0 0 0
- 2.3834 2.3569 -0.0132 C 0 0 0
- 3.6052 0.2673 -0.0138 C 0 0 0
- 2.4657 -1.9754 0.0236 C 0 0 0
- 3.5509 1.6694 -0.0204 C 0 0 0
- 4.9759 -0.3629 -0.0272 C 0 0 0
- 3.8239 -2.5260 -0.4053 C 0 0 0
- 4.9074 -1.8207 0.4197 C 0 0 0
- 0.0124 -1.5844 0.0000 H 0 0 0
- -1.6440 -2.4769 0.0000 H 0 0 0
- -2.4025 3.3953 0.0000 H 0 0 0
- -4.4923 2.2526 0.0000 H 0 0 0
- -5.7877 0.1239 0.0000 H 0 0 0
- -3.8028 -3.5850 0.0000 H 0 0 0
- -5.8558 -2.2859 0.0000 H 0 0 0
- 2.3864 3.4086 0.0000 H 0 0 0
- 1.4228 -1.8397 0.0000 H 0 0 0
- 2.1981 -2.9925 0.0000 H 0 0 0
- 4.4537 2.2089 0.0000 H 0 0 0
- 6.0116 -0.5460 0.0000 H 0 0 0
- 5.2897 0.6409 0.0000 H 0 0 0
- 3.2405 -3.4011 0.0000 H 0 0 0
- 4.5635 -3.2738 0.0000 H 0 0 0
- 5.2868 -2.8016 0.0000 H 0 0 0
- 5.9455 -1.6521 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 14 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 19 1 0
- 21 22 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 15 29 1 0
- 16 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2150-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 84 89 1 V2000
- 6.7057 -1.7918 0.1569 O 0 0 0
- 7.4982 -0.7095 -0.0379 C 0 0 0
- 8.8982 -0.8391 -0.0074 C 0 0 0
- 6.9333 0.5447 -0.2766 C 0 0 0
- 9.7104 0.3037 -0.2137 C 0 0 0
- 9.5082 -2.0887 0.2247 C 0 0 0
- 5.5792 0.6821 -0.3131 N 0 0 0
- 7.7571 1.6683 -0.4793 C 0 0 0
- 9.1082 1.5558 -0.4468 C 0 0 0
- 11.1076 0.1705 -0.1831 C 0 0 0
- 8.7475 -3.1952 0.4241 O 0 0 0
- 10.8831 -2.1775 0.2471 C 0 0 0
- 4.8548 0.1846 0.6312 N 0 0 0
- 7.0229 3.2417 -0.7790 S 0 0 0
- 11.6711 -1.0493 0.0434 C 0 0 0
- 3.4932 0.2240 0.5398 C 0 0 0
- 7.9443 3.9479 -1.5986 O 0 0 0
- 5.6654 2.9783 -1.1060 O 0 0 0
- 6.9915 3.9891 0.5465 O 0 0 0
- 13.4262 -1.2000 0.0788 S 0 0 0
- 2.7066 -0.2017 1.6157 C 0 0 0
- 2.8831 0.6957 -0.6275 C 0 0 0
- 13.7098 -2.5170 -0.3733 O 0 0 0
- 13.9283 -0.0048 -0.5030 O 0 0 0
- 13.8568 -1.1621 1.5382 O 0 0 0
- 3.3604 -0.7045 2.8770 C 0 0 0
- 1.3343 -0.1598 1.5195 C 0 0 0
- 1.5212 0.7361 -0.7200 C 0 0 0
- 0.7324 0.3072 0.3493 C 0 0 0
- -0.7441 0.3529 0.2444 C 0 0 0
- -1.3657 1.4354 -0.3813 C 0 0 0
- -1.5130 -0.6894 0.7663 C 0 0 0
- -2.7380 1.4766 -0.4781 C 0 0 0
- -2.8748 -0.6513 0.6717 C 0 0 0
- -3.4129 2.6428 -1.1530 C 0 0 0
- -3.5049 0.4329 0.0512 C 0 0 0
- -4.8663 0.4698 -0.0427 N 0 0 0
- -5.5670 -0.5428 0.3418 N 0 0 0
- -6.9194 -0.5335 0.1855 C 0 0 0
- -7.5652 -1.6418 -0.3950 C 0 0 0
- -7.6599 0.5725 0.6069 C 0 0 0
- -6.6118 -3.0299 -0.9136 S 0 0 0
- -8.9110 -1.6551 -0.5608 C 0 0 0
- -7.0395 1.6379 1.1702 O 0 0 0
- -9.0564 0.5696 0.4403 C 0 0 0
- -7.3176 -3.5952 -2.0097 O 0 0 0
- -5.2637 -2.5817 -0.9464 O 0 0 0
- -6.6759 -4.0669 0.1986 O 0 0 0
- -9.6872 -0.5530 -0.1513 C 0 0 0
- -9.8404 1.6663 0.8526 C 0 0 0
- -11.0814 -0.5525 -0.3160 C 0 0 0
- -9.2548 2.7512 1.4207 O 0 0 0
- -11.2061 1.6279 0.6736 C 0 0 0
- -11.8147 0.5230 0.0869 C 0 0 0
- -13.5636 0.5087 -0.1272 S 0 0 0
- -13.9414 1.8664 -0.3092 O 0 0 0
- -13.8326 -0.5489 -1.0372 O 0 0 0
- -14.1807 0.0818 1.1970 O 0 0 0
- 6.1087 -2.6071 0.0000 H 0 0 0
- 9.6811 2.3883 0.0000 H 0 0 0
- 11.6919 0.9950 0.0000 H 0 0 0
- 8.1750 -4.0279 0.0000 H 0 0 0
- 11.3211 -3.0882 0.0000 H 0 0 0
- 6.9491 4.9988 0.0000 H 0 0 0
- 3.2238 1.6471 0.0000 H 0 0 0
- 14.8635 -1.0735 0.0000 H 0 0 0
- 2.7443 -1.5056 0.0000 H 0 0 0
- 4.1615 -1.3206 0.0000 H 0 0 0
- 3.9765 0.0966 0.0000 H 0 0 0
- 0.9924 -1.1107 0.0000 H 0 0 0
- 1.2867 1.7191 0.0000 H 0 0 0
- -0.8463 2.3023 0.0000 H 0 0 0
- -1.0701 -1.5978 0.0000 H 0 0 0
- -3.3910 -1.5201 0.0000 H 0 0 0
- -2.5382 3.1490 0.0000 H 0 0 0
- -3.9191 3.5175 0.0000 H 0 0 0
- -4.2875 2.1366 0.0000 H 0 0 0
- -9.3720 -2.5544 0.0000 H 0 0 0
- -6.5310 2.5112 0.0000 H 0 0 0
- -6.7382 -5.0755 0.0000 H 0 0 0
- -11.5538 -1.4459 0.0000 H 0 0 0
- -8.7748 3.6405 0.0000 H 0 0 0
- -11.7323 2.4906 0.0000 H 0 0 0
- -15.0118 -0.4931 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 14 2 0
- 19 14 1 0
- 20 15 1 0
- 21 16 2 0
- 22 16 1 0
- 23 20 2 0
- 24 20 2 0
- 25 20 1 0
- 26 21 1 0
- 27 21 1 0
- 28 22 2 0
- 29 27 2 0
- 30 29 1 0
- 31 30 2 0
- 32 30 1 0
- 33 31 1 0
- 34 32 2 0
- 35 33 1 0
- 36 33 2 0
- 37 36 1 0
- 38 37 2 0
- 39 38 1 0
- 40 39 2 0
- 41 39 1 0
- 42 40 1 0
- 43 40 1 0
- 44 41 1 0
- 45 41 2 0
- 46 42 2 0
- 47 42 2 0
- 48 42 1 0
- 49 43 2 0
- 50 45 1 0
- 51 49 1 0
- 52 50 1 0
- 53 50 2 0
- 54 51 2 0
- 55 54 1 0
- 56 55 2 0
- 57 55 2 0
- 58 55 1 0
- 8 9 1 0
- 12 15 1 0
- 28 29 1 0
- 34 36 1 0
- 45 49 1 0
- 53 54 1 0
- 1 59 1 0
- 9 60 1 0
- 10 61 1 0
- 11 62 1 0
- 12 63 1 0
- 19 64 1 0
- 22 65 1 0
- 25 66 1 0
- 26 67 1 0
- 26 68 1 0
- 26 69 1 0
- 27 70 1 0
- 28 71 1 0
- 31 72 1 0
- 32 73 1 0
- 34 74 1 0
- 35 75 1 0
- 35 76 1 0
- 35 77 1 0
- 43 78 1 0
- 44 79 1 0
- 48 80 1 0
- 51 81 1 0
- 52 82 1 0
- 53 83 1 0
- 58 84 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-613-50-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.9761 0.5863 -0.0028 C 0 0 0
- -1.3883 -0.7696 -0.0012 C 0 0 0
- 0.3939 0.8951 -0.0021 C 0 0 0
- -1.9552 1.5971 0.0008 C 0 0 0
- -0.4114 -1.7808 0.0006 C 0 0 0
- -2.6909 -1.0686 -0.0010 N 0 0 0
- 1.3104 -0.1115 0.0001 C 0 0 0
- -3.2688 1.2221 0.0057 C 0 0 0
- 0.9073 -1.4456 0.0008 C 0 0 0
- -3.6058 -0.1294 -0.0022 C 0 0 0
- 2.7540 0.2153 0.0003 N 0 3 0
- 3.5808 -0.6791 0.0023 O 0 0 0
- 3.1151 1.3785 -0.0015 O 0 5 0
- 0.7048 1.8819 0.0000 H 0 0 0
- -1.6876 2.5965 0.0000 H 0 0 0
- -0.6942 -2.7760 0.0000 H 0 0 0
- -4.0126 1.9412 0.0000 H 0 0 0
- 1.6224 -2.1933 0.0000 H 0 0 0
- -4.6046 -0.3993 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 11 12 2 0
- 11 13 1 0
- 7 9 1 0
- 8 10 2 0
- 3 14 1 0
- 4 15 1 0
- 5 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2426-07-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -3.1221 -0.2961 -0.4480 C 0 0 0
- -4.3733 -0.2948 0.4327 C 0 0 0
- -3.8827 0.8882 -0.2012 O 0 0 0
- -1.8748 -0.2950 0.4380 C 0 0 0
- -0.6237 -0.2963 -0.4426 C 0 0 0
- 0.6236 -0.2953 0.4434 C 0 0 0
- 1.8748 -0.2966 -0.4372 C 0 0 0
- 3.1221 -0.2955 0.4488 C 0 0 0
- 4.3732 -0.2968 -0.4319 C 0 0 0
- 3.8829 0.8881 0.1988 O 0 0 0
- -3.1222 -1.2345 0.0000 H 0 0 0
- -5.2796 -0.0514 0.0000 H 0 0 0
- -4.4966 -1.2251 0.0000 H 0 0 0
- -1.4053 0.5175 0.0000 H 0 0 0
- -2.3442 0.5176 0.0000 H 0 0 0
- -1.0932 -1.1088 0.0000 H 0 0 0
- -0.1543 -1.1089 0.0000 H 0 0 0
- 1.0931 0.5172 0.0000 H 0 0 0
- 0.1542 0.5173 0.0000 H 0 0 0
- 1.4053 -1.1091 0.0000 H 0 0 0
- 2.3442 -1.1092 0.0000 H 0 0 0
- 3.1220 -1.2339 0.0000 H 0 0 0
- 4.4949 -1.2273 0.0000 H 0 0 0
- 5.2798 -0.0545 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 6 7 1 0
- 7 8 1 0
- 8 9 1 0
- 8 10 1 0
- 2 3 1 0
- 9 10 1 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1330-78-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- 0.0819 -1.3720 -0.0994 P 0 0 0
- -1.1972 -2.3447 -0.0002 O 0 0 0
- 0.1189 -0.4014 1.1846 O 0 0 0
- 1.4266 -2.2563 -0.1427 O 0 0 0
- -0.0125 -0.5570 -1.3312 O 0 0 0
- -2.2872 -1.5465 0.1472 C 0 0 0
- 0.0588 0.8727 0.7158 C 0 0 0
- 2.4700 -1.3858 -0.1219 C 0 0 0
- -2.8966 -0.9901 -0.9677 C 0 0 0
- -2.7958 -1.2914 1.4127 C 0 0 0
- -1.1597 1.5335 0.6534 C 0 0 0
- 1.2163 1.5169 0.3043 C 0 0 0
- 3.0802 -1.0614 1.0808 C 0 0 0
- 2.9304 -0.8245 -1.3044 C 0 0 0
- -4.0047 -0.1789 -0.8153 C 0 0 0
- -3.9037 -0.4798 1.5598 C 0 0 0
- -1.2181 2.8284 0.1765 C 0 0 0
- 1.1526 2.8123 -0.1720 C 0 0 0
- 4.1408 -0.1761 1.0992 C 0 0 0
- 3.9910 0.0599 -1.2806 C 0 0 0
- -4.5057 0.0787 0.4472 C 0 0 0
- -4.6672 0.4260 -2.0261 C 0 0 0
- -0.0635 3.4664 -0.2386 C 0 0 0
- -2.5412 3.5465 0.1079 C 0 0 0
- 4.5940 0.3862 -0.0796 C 0 0 0
- 5.7510 1.3515 -0.0565 C 0 0 0
- -2.2752 -0.2309 0.0000 H 0 0 0
- -3.3074 -2.1285 0.0000 H 0 0 0
- -1.9912 1.0128 0.0000 H 0 0 0
- 2.0740 1.0406 0.0000 H 0 0 0
- 3.6277 -1.8754 0.0000 H 0 0 0
- 2.2339 -0.1336 0.0000 H 0 0 0
- -4.5282 -1.2364 0.0000 H 0 0 0
- 1.9821 3.3361 0.0000 H 0 0 0
- 4.8404 -0.8638 0.0000 H 0 0 0
- 3.4407 0.8721 0.0000 H 0 0 0
- -5.3090 0.6419 0.0000 H 0 0 0
- -4.0057 1.1505 0.0000 H 0 0 0
- -5.3917 1.0875 0.0000 H 0 0 0
- -5.3287 -0.2985 0.0000 H 0 0 0
- -0.0691 4.4474 0.0000 H 0 0 0
- -2.0732 4.4087 0.0000 H 0 0 0
- -3.4034 4.0145 0.0000 H 0 0 0
- -3.0092 2.6843 0.0000 H 0 0 0
- 6.3795 0.5982 0.0000 H 0 0 0
- 6.5043 1.9800 0.0000 H 0 0 0
- 5.1225 2.1048 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 2 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 2 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 17 24 1 0
- 19 25 2 0
- 25 26 1 0
- 16 21 1 0
- 18 23 2 0
- 20 25 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 16 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
- 22 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 24 42 1 0
- 24 43 1 0
- 24 44 1 0
- 26 45 1 0
- 26 46 1 0
- 26 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-83-72-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.4463 0.7365 -0.0023 C 0 0 0
- -0.8471 -0.6113 -0.0015 C 0 0 0
- 0.9954 1.0639 -0.0013 C 0 0 0
- -1.4057 1.7427 0.0017 C 0 0 0
- 0.1809 -1.6766 0.0003 C 0 0 0
- -2.1992 -0.9281 -0.0019 C 0 0 0
- 1.9949 -0.0304 0.0006 C 0 0 0
- 1.3585 2.2227 -0.0024 O 0 0 0
- -2.7513 1.4104 0.0065 C 0 0 0
- 1.6029 -1.3212 0.0013 C 0 0 0
- -0.1542 -2.8454 0.0006 O 0 0 0
- -3.1448 0.0861 -0.0032 C 0 0 0
- 3.3148 0.2684 0.0015 O 0 0 0
- -1.1145 2.7419 0.0000 H 0 0 0
- -2.5019 -1.9239 0.0000 H 0 0 0
- -3.4698 2.1633 0.0000 H 0 0 0
- 2.3202 -2.0753 0.0000 H 0 0 0
- -4.1580 -0.1520 0.0000 H 0 0 0
- 4.3299 0.4982 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 7 10 2 0
- 9 12 1 0
- 4 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64808-48-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- -3.2920 0.5991 0.3926 C 0 0 0
- -4.5739 0.1118 0.0628 C 0 0 0
- -2.2623 -0.2824 0.6802 N 0 0 0
- -3.0688 1.9701 0.4211 C 0 0 0
- -5.6053 1.0199 -0.2257 C 0 0 0
- -4.8186 -1.2823 0.0225 C 0 0 0
- -1.5787 -0.9088 -0.3494 C 0 0 0
- -4.0981 2.8429 0.1279 C 0 0 0
- -5.3636 2.3620 -0.1858 C 0 0 0
- -4.5835 -1.9713 -1.1018 O 0 0 0
- -5.2853 -1.9121 1.1088 O 0 0 0
- -0.6326 -1.9148 -0.0642 C 0 0 0
- -1.8251 -0.5539 -1.6699 C 0 0 0
- -3.8125 4.5548 0.1659 Cl 0 0 0
- 0.0506 -2.5387 -1.1195 C 0 0 0
- -0.3735 -2.2923 1.2769 C 0 0 0
- -1.1432 -1.1790 -2.6933 C 0 0 0
- -0.2070 -2.1656 -2.4179 C 0 0 0
- 0.6418 -1.7314 1.9461 O 0 0 0
- -1.1440 -3.2101 1.8750 O 0 0 0
- 12.4584 0.3893 0.0223 Na 0 3 0
- 21.1002 0.9538 -0.0019 Na 0 3 0
- -1.5912 0.4753 0.0000 H 0 0 0
- -2.1191 2.3201 0.0000 H 0 0 0
- -6.5611 0.6868 0.0000 H 0 0 0
- -6.1423 3.0085 0.0000 H 0 0 0
- -2.4909 0.2085 0.0000 H 0 0 0
- 0.7161 -3.3013 0.0000 H 0 0 0
- -0.4337 -0.4572 0.0000 H 0 0 0
- 0.5789 -1.5278 0.0000 H 0 0 0
- -5.8879 -2.7253 0.0000 H 0 0 0
- -1.7948 -3.9853 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 8 14 1 0
- 12 15 2 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 8 9 1 0
- 17 18 2 0
- 3 23 1 0
- 4 24 1 0
- 5 25 1 0
- 9 26 1 0
- 13 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
- 11 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-628-02-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.7328 -0.7637 0.0000 C 0 0 0
- -0.4111 0.2524 0.0000 C 0 0 0
- 2.0519 -0.0352 0.0000 C 0 0 0
- -1.7504 -0.4873 0.0000 C 0 0 0
- 3.2061 -0.7311 0.0000 N 0 0 0
- 2.0750 1.1774 0.0000 O 0 0 0
- -2.8942 0.5289 0.0000 C 0 0 0
- -4.2335 -0.2109 0.0000 C 0 0 0
- -0.1214 -1.5299 0.0000 H 0 0 0
- 1.3976 -1.6990 0.0000 H 0 0 0
- 0.4431 1.0187 0.0000 H 0 0 0
- -1.0759 1.1877 0.0000 H 0 0 0
- -2.6046 -1.2535 0.0000 H 0 0 0
- -1.0857 -1.4226 0.0000 H 0 0 0
- 3.1843 -1.8784 0.0000 H 0 0 0
- 4.2106 -0.1763 0.0000 H 0 0 0
- -2.0400 1.2951 0.0000 H 0 0 0
- -3.5590 1.4642 0.0000 H 0 0 0
- -4.7883 0.7935 0.0000 H 0 0 0
- -5.2379 -0.7657 0.0000 H 0 0 0
- -3.6787 -1.2153 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 7 8 1 0
- 1 9 1 0
- 1 10 1 0
- 2 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7381-01-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 47 1 V2000
- 0.4483 -0.5643 0.0497 C 0 0 0
- -0.7749 -0.0769 0.7826 C 0 0 0
- 1.6555 -0.4843 0.6313 O 0 0 0
- 0.3419 -1.0318 -1.0593 O 0 0 0
- -2.0108 -0.2806 -0.0961 C 0 0 0
- 2.8341 -0.9540 -0.0749 C 0 0 0
- -3.2527 0.2143 0.6480 C 0 0 0
- 4.0699 -0.7503 0.8038 C 0 0 0
- -4.4886 0.0106 -0.2306 C 0 0 0
- 5.5424 -1.3370 -0.0784 S 0 0 0
- -5.7305 0.5055 0.5134 C 0 0 0
- 5.5536 -2.7533 -0.1942 O 0 0 0
- 5.8728 -0.4876 -1.1685 O 0 0 0
- 6.6682 -1.0704 0.9105 O 0 0 0
- -6.9663 0.3017 -0.3652 C 0 0 0
- -8.2083 0.7966 0.3788 C 0 0 0
- -9.4441 0.5929 -0.4998 C 0 0 0
- -10.6860 1.0878 0.2442 C 0 0 0
- -11.9219 0.8841 -0.6344 C 0 0 0
- -13.1638 1.3790 0.1096 C 0 0 0
- 14.4879 4.2764 -0.1291 Na 0 3 0
- -0.1541 0.6282 0.0000 H 0 0 0
- -1.2303 0.7448 0.0000 H 0 0 0
- -2.6316 -0.9857 0.0000 H 0 0 0
- -1.5554 -1.1023 0.0000 H 0 0 0
- 2.2133 -1.6590 0.0000 H 0 0 0
- 3.2895 -1.7757 0.0000 H 0 0 0
- -2.6319 0.9194 0.0000 H 0 0 0
- -3.7081 1.0360 0.0000 H 0 0 0
- 4.6907 -0.0452 0.0000 H 0 0 0
- 3.6145 0.0714 0.0000 H 0 0 0
- -5.1094 -0.6945 0.0000 H 0 0 0
- -4.0332 -0.8111 0.0000 H 0 0 0
- -5.1097 1.2106 0.0000 H 0 0 0
- -6.1860 1.3271 0.0000 H 0 0 0
- -7.5871 -0.4034 0.0000 H 0 0 0
- -6.5108 -0.5199 0.0000 H 0 0 0
- -7.5875 1.5017 0.0000 H 0 0 0
- -8.6637 1.6183 0.0000 H 0 0 0
- -10.0649 -0.1122 0.0000 H 0 0 0
- -8.9887 -0.2288 0.0000 H 0 0 0
- -10.0652 1.7929 0.0000 H 0 0 0
- -11.1414 1.9095 0.0000 H 0 0 0
- -12.5427 0.1790 0.0000 H 0 0 0
- -11.4665 0.0624 0.0000 H 0 0 0
- -12.8160 2.2517 0.0000 H 0 0 0
- -14.0365 1.7268 0.0000 H 0 0 0
- -13.5116 0.5063 0.0000 H 0 0 0
- 7.5823 -0.8539 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 2 22 1 0
- 2 23 1 0
- 5 24 1 0
- 5 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 11 34 1 0
- 11 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 19 44 1 0
- 19 45 1 0
- 20 46 1 0
- 20 47 1 0
- 20 48 1 0
- 14 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-97-18-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 1.2673 1.1748 -0.1405 C 0 0 0
- -0.2423 2.0776 -0.2443 S 0 0 0
- 1.6847 0.3864 -1.2113 C 0 0 0
- 2.0464 1.2515 1.0055 C 0 0 0
- -1.3967 0.7773 0.0407 C 0 0 0
- 2.8727 -0.3211 -1.1247 C 0 0 0
- 0.9276 0.3122 -2.3391 O 0 0 0
- 3.2313 0.5422 1.0846 C 0 0 0
- -2.7617 1.0086 -0.1156 C 0 0 0
- -0.9480 -0.4818 0.4159 C 0 0 0
- 3.6426 -0.2439 0.0231 C 0 0 0
- 3.3962 -1.3042 -2.4563 Cl 0 0 0
- 4.2047 0.6392 2.5187 Cl 0 0 0
- -3.6654 -0.0177 0.1093 C 0 0 0
- -3.2064 2.2393 -0.4876 O 0 0 0
- -1.8558 -1.5009 0.6385 C 0 0 0
- -3.2117 -1.2690 0.4882 C 0 0 0
- -5.3671 0.2667 -0.0838 Cl 0 0 0
- -1.2930 -3.0749 1.1070 Cl 0 0 0
- 2.2681 2.2400 0.0000 H 0 0 0
- -0.0806 0.2134 0.0000 H 0 0 0
- 0.0463 -0.6758 0.0000 H 0 0 0
- 4.5343 -0.7246 0.0000 H 0 0 0
- -3.5507 3.1921 0.0000 H 0 0 0
- -3.8614 -2.0463 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 10 16 2 0
- 14 17 2 0
- 14 18 1 0
- 16 19 1 0
- 8 11 2 0
- 16 17 1 0
- 4 20 1 0
- 7 21 1 0
- 10 22 1 0
- 11 23 1 0
- 15 24 1 0
- 17 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1163-05-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 1.1944 0.0324 0.0038 C 0 0 0
- 1.1627 -1.3844 -0.0004 C 0 0 0
- 2.4880 0.7237 0.0025 C 0 0 0
- -0.0006 0.7491 0.0032 C 0 0 0
- -0.0010 -2.0293 0.0010 N 0 3 0
- 2.3759 -2.1181 -0.0057 C 0 0 0
- 3.6712 -0.0483 -0.0028 C 0 0 0
- 2.5718 2.1165 0.0060 C 0 0 0
- -1.1956 0.0332 -0.0015 C 0 0 0
- -1.1643 -1.3840 0.0064 C 0 0 0
- -0.0013 -3.4453 -0.0028 O 0 5 0
- 3.5753 -1.5043 -0.0073 C 0 0 0
- 4.9132 0.5969 -0.0041 C 0 0 0
- 3.8080 2.7225 0.0042 C 0 0 0
- -2.4890 0.7248 -0.0028 C 0 0 0
- -2.3777 -2.1173 0.0082 C 0 0 0
- 4.9697 1.9611 -0.0002 C 0 0 0
- -3.6719 -0.0471 -0.0081 C 0 0 0
- -2.5734 2.1177 0.0016 C 0 0 0
- -3.5770 -1.5030 0.0136 C 0 0 0
- -4.9136 0.6000 -0.0094 C 0 0 0
- -3.7996 2.7212 0.0006 C 0 0 0
- -4.9646 1.9645 -0.0055 C 0 0 0
- -0.0003 1.7957 0.0000 H 0 0 0
- 2.3388 -3.1640 0.0000 H 0 0 0
- 1.7007 2.6967 0.0000 H 0 0 0
- 4.4497 -2.0794 0.0000 H 0 0 0
- 5.7963 0.0352 0.0000 H 0 0 0
- 3.8731 3.7671 0.0000 H 0 0 0
- -2.3410 -3.1632 0.0000 H 0 0 0
- 5.9006 2.4394 0.0000 H 0 0 0
- -1.7020 2.6973 0.0000 H 0 0 0
- -4.4517 -2.0777 0.0000 H 0 0 0
- -5.7982 0.0406 0.0000 H 0 0 0
- -3.8617 3.7659 0.0000 H 0 0 0
- -5.8935 2.4466 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 13 17 1 0
- 15 18 2 0
- 15 19 1 0
- 16 20 2 0
- 18 21 1 0
- 19 22 2 0
- 21 23 2 0
- 7 12 1 0
- 9 10 1 0
- 14 17 2 0
- 18 20 1 0
- 22 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
- 22 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115609-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- 0.7956 -0.5545 0.0016 C 0 0 0
- -0.6640 -0.6155 0.0011 C 0 0 0
- 1.4154 0.6978 0.0010 C 0 0 0
- 1.7720 -1.4904 -0.0027 N 0 0 0
- -1.3960 0.5982 0.0000 C 0 0 0
- -1.3116 -1.7795 0.0012 N 0 0 0
- 2.7775 0.4514 0.0017 N 0 0 0
- 0.6492 1.8661 0.0006 C 0 0 0
- 2.9440 -0.9019 0.0003 C 0 0 0
- -0.7071 1.8259 -0.0010 C 0 0 0
- -2.7325 0.5582 -0.0005 N 0 0 0
- -2.6273 -1.7939 0.0003 C 0 0 0
- 3.8423 1.4577 0.0014 C 0 0 0
- 4.1604 -1.5531 -0.0023 N 0 0 0
- -1.4878 3.1150 -0.0022 C 0 0 0
- -3.3503 -0.6022 0.0001 C 0 0 0
- -4.8567 -0.6444 0.0000 C 0 0 0
- 1.1289 2.7868 0.0000 H 0 0 0
- -3.1316 -2.7013 0.0000 H 0 0 0
- 4.5554 0.7032 0.0000 H 0 0 0
- 4.5968 2.1708 0.0000 H 0 0 0
- 3.1292 2.2122 0.0000 H 0 0 0
- 4.1937 -2.5907 0.0000 H 0 0 0
- 5.0424 -1.0055 0.0000 H 0 0 0
- -0.5998 3.6528 0.0000 H 0 0 0
- -2.0256 4.0030 0.0000 H 0 0 0
- -2.3758 2.5772 0.0000 H 0 0 0
- -4.8858 0.3933 0.0000 H 0 0 0
- -5.8944 -0.6735 0.0000 H 0 0 0
- -4.8276 -1.6821 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 16 17 1 0
- 7 9 1 0
- 8 10 2 0
- 12 16 1 0
- 8 18 1 0
- 12 19 1 0
- 13 20 1 0
- 13 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 15 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56-57-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.0115 -0.4494 -0.0184 C 0 0 0
- -1.3405 -0.0252 -0.0085 C 0 0 0
- 1.0311 0.5193 0.0312 C 0 0 0
- 0.3081 -1.8206 -0.0829 C 0 0 0
- -1.6280 1.2799 0.0469 N 0 3 0
- -2.3604 -0.9916 -0.0581 C 0 0 0
- 0.6685 1.8351 0.0871 C 0 0 0
- 2.4574 0.1232 0.0227 N 0 3 0
- -0.7067 -2.7266 -0.1353 C 0 0 0
- -0.6795 2.1853 0.0929 C 0 0 0
- -2.9825 1.6925 0.0558 O 0 5 0
- -2.0371 -2.3121 -0.1144 C 0 0 0
- 2.8418 -0.7841 0.7385 O 0 0 0
- 3.2465 0.7047 -0.7003 O 0 5 0
- 1.3014 -2.1437 0.0000 H 0 0 0
- -3.3625 -0.6968 0.0000 H 0 0 0
- 1.4017 2.5791 0.0000 H 0 0 0
- -0.4855 -3.7475 0.0000 H 0 0 0
- -0.9420 3.1963 0.0000 H 0 0 0
- -2.7982 -3.0275 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 8 14 1 0
- 7 10 2 0
- 9 12 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-93673-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- 0.0903 0.2439 0.1310 C 0 0 0
- -0.4573 -1.0637 -0.0197 C 0 0 0
- 1.5465 0.3730 0.2057 C 0 0 0
- -0.7151 1.3869 0.2024 C 0 0 0
- -1.8605 -1.2224 -0.0917 C 0 0 0
- 0.4008 -2.1677 -0.0945 C 0 0 0
- 2.3359 -0.7633 0.1288 C 0 0 0
- 2.1843 1.6908 0.3600 C 0 0 0
- -2.1032 1.2415 0.1255 C 0 0 0
- -2.6116 -0.0547 -0.0094 C 0 0 0
- -2.8174 -2.3118 -0.2342 C 0 0 0
- 1.7521 -2.0151 -0.0215 C 0 0 0
- 3.8343 -0.6243 0.2106 C 0 0 1
- 3.4685 1.8361 0.0494 C 0 0 0
- -3.0406 2.2915 0.1821 C 0 0 0
- -4.0256 -0.3631 -0.0962 C 0 0 0
- -4.0869 -1.8150 -0.2376 C 0 0 0
- 4.2725 0.6738 -0.4641 C 0 0 2
- 4.2370 -0.6081 1.5816 O 0 0 0
- -4.3753 2.0085 0.0954 C 0 0 0
- -4.8921 0.7198 -0.0277 C 0 0 0
- 4.0951 0.5595 -1.8774 O 0 0 0
- -0.2828 2.3388 0.0000 H 0 0 0
- -0.0052 -3.1312 0.0000 H 0 0 0
- 1.5799 2.5439 0.0000 H 0 0 0
- -2.5704 -3.3277 0.0000 H 0 0 0
- 2.3625 -2.8639 0.0000 H 0 0 0
- 3.9036 -1.6675 0.0000 H 0 0 0
- 3.9010 2.7880 0.0000 H 0 0 0
- -2.7152 3.2851 0.0000 H 0 0 0
- -4.9627 -2.3860 0.0000 H 0 0 0
- 5.3078 0.8195 0.0000 H 0 0 0
- 5.2817 -0.5661 0.0000 H 0 0 0
- -5.0482 2.8087 0.0000 H 0 0 0
- -5.9264 0.5669 0.0000 H 0 0 0
- 3.2162 -0.0068 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 13 18 1 0
- 13 19 1 0
- 15 20 2 0
- 16 21 2 0
- 18 22 1 0
- 7 12 1 0
- 9 10 1 0
- 14 18 1 0
- 16 17 1 0
- 20 21 1 0
- 4 23 1 0
- 6 24 1 0
- 8 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5131-58-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.4737 0.2475 0.0341 C 0 0 0
- 0.1736 -0.9723 -0.1210 C 0 0 0
- 0.2619 1.4079 0.1813 C 0 0 0
- -1.9526 0.3046 0.0353 N 0 3 0
- 1.5605 -1.0242 -0.1279 C 0 0 0
- -0.5707 -2.1448 -0.2693 N 0 0 0
- 1.6424 1.3597 0.1749 C 0 0 0
- -2.5347 1.0307 -0.7504 O 0 0 0
- -2.5876 -0.3745 0.8222 O 0 5 0
- 2.2961 0.1429 0.0202 C 0 0 0
- 3.6920 0.0951 0.0134 N 0 0 0
- -0.2215 2.3242 0.0000 H 0 0 0
- 2.0439 -1.9404 0.0000 H 0 0 0
- -1.6057 -2.1013 0.0000 H 0 0 0
- -0.0909 -3.0629 0.0000 H 0 0 0
- 2.1895 2.2394 0.0000 H 0 0 0
- 4.1790 -0.8193 0.0000 H 0 0 0
- 4.2404 0.9740 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 10 11 1 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-116-29-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 26 1 V2000
- 0.8705 0.6227 0.5469 C 0 0 0
- -0.5823 1.1961 1.3625 S 0 0 0
- 1.3279 1.2699 -0.5875 C 0 0 0
- 1.5559 -0.4696 1.0436 C 0 0 0
- -1.9548 0.3524 0.6489 C 0 0 0
- -0.4886 0.7202 2.6981 O 0 0 0
- -0.7263 2.5578 0.9827 O 0 0 0
- 2.4686 0.8205 -1.2279 C 0 0 0
- 0.4703 2.6464 -1.2066 Cl 0 0 0
- 2.6967 -0.9203 0.4036 C 0 0 0
- -2.3803 -0.8500 1.1826 C 0 0 0
- -2.6092 0.8957 -0.4406 C 0 0 0
- 3.1518 -0.2764 -0.7344 C 0 0 0
- 3.5578 -2.2922 1.0280 Cl 0 0 0
- -3.4569 -1.5119 0.6236 C 0 0 0
- -3.6862 0.2345 -1.0006 C 0 0 0
- 4.5836 -0.8410 -1.5376 Cl 0 0 0
- -4.1091 -0.9711 -0.4704 C 0 0 0
- -5.4617 -1.8021 -1.1731 Cl 0 0 0
- 0.9440 -1.2060 0.0000 H 0 0 0
- 3.0814 1.5561 0.0000 H 0 0 0
- -1.6358 -1.4519 0.0000 H 0 0 0
- -2.5411 1.8507 0.0000 H 0 0 0
- -3.5244 -2.4669 0.0000 H 0 0 0
- -4.4314 0.8356 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 2 7 2 0
- 3 8 2 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 8 13 1 0
- 10 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 15 18 1 0
- 18 19 1 0
- 10 13 2 0
- 16 18 2 0
- 4 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 15 24 1 0
- 16 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7040-57-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 2.2201 0.2792 -0.1812 C 0 0 0
- 0.9920 -0.4170 0.4086 C 0 0 0
- 1.7809 1.5356 -0.9358 C 0 0 0
- 3.1760 0.6702 0.9477 C 0 0 0
- 2.9317 -0.6721 -1.1454 C 0 0 0
- 0.1038 -0.7908 -0.6466 O 0 0 0
- 1.4322 -1.6678 1.1718 C 0 0 0
- -1.3822 -0.4029 -0.1634 P 0 0 0
- -2.5532 -0.6549 -1.5377 C 0 0 0
- -1.7695 -1.2611 0.9784 O 0 0 0
- -1.4216 1.5921 0.4240 Cl 0 0 0
- 0.5744 0.4323 0.0000 H 0 0 0
- 2.6743 1.8479 0.0000 H 0 0 0
- 1.4686 2.4290 0.0000 H 0 0 0
- 0.8875 1.2233 0.0000 H 0 0 0
- 3.5343 -0.2058 0.0000 H 0 0 0
- 4.0520 1.0285 0.0000 H 0 0 0
- 2.8177 1.5462 0.0000 H 0 0 0
- 2.1738 -1.2390 0.0000 H 0 0 0
- 3.4986 -1.4300 0.0000 H 0 0 0
- 3.6896 -0.1052 0.0000 H 0 0 0
- 0.5394 -1.9820 0.0000 H 0 0 0
- 1.7464 -2.5606 0.0000 H 0 0 0
- 2.3250 -1.3536 0.0000 H 0 0 0
- -2.7523 0.2703 0.0000 H 0 0 0
- -3.4784 -0.8540 0.0000 H 0 0 0
- -2.3541 -1.5801 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 6 8 1 0
- 8 9 1 0
- 8 10 2 0
- 8 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-77-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.2304 -0.9321 0.0001 C 0 0 0
- 0.0000 -1.8022 0.0000 C 0 0 0
- 1.7937 -0.5337 1.1988 C 0 0 0
- 1.7971 -0.5386 -1.1982 C 0 0 0
- -1.2305 -0.9321 -0.0002 C 0 0 0
- 2.9211 0.2636 1.2025 C 0 0 0
- 2.9248 0.2589 -1.2017 C 0 0 0
- -1.7935 -0.5339 -1.1986 C 0 0 0
- -1.7972 -0.5383 1.1984 C 0 0 0
- 3.4897 0.6655 0.0002 C 0 0 0
- -2.9213 0.2636 -1.2023 C 0 0 0
- -2.9246 0.2589 1.2019 C 0 0 0
- 4.6298 1.4723 0.0003 N 0 0 0
- -3.4897 0.6655 -0.0005 C 0 0 0
- -4.6298 1.4723 -0.0006 N 0 0 0
- -0.5187 -2.3833 0.0000 H 0 0 0
- 0.5187 -2.3833 0.0000 H 0 0 0
- 1.3439 0.1022 0.0000 H 0 0 0
- 2.2441 -1.1765 0.0000 H 0 0 0
- 2.4714 0.8996 0.0000 H 0 0 0
- 3.3772 -0.3752 0.0000 H 0 0 0
- -1.3438 0.1020 0.0000 H 0 0 0
- -2.2443 -1.1761 0.0000 H 0 0 0
- -2.4716 0.8996 0.0000 H 0 0 0
- -3.3769 -0.3752 0.0000 H 0 0 0
- 5.3374 1.1466 0.0000 H 0 0 0
- 4.5580 2.2479 0.0000 H 0 0 0
- -4.5580 2.2479 0.0000 H 0 0 0
- -5.3374 1.1466 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 9 12 2 0
- 10 13 1 0
- 11 14 2 0
- 14 15 1 0
- 7 10 2 0
- 12 14 1 0
- 2 16 1 0
- 2 17 1 0
- 3 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24096-53-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 23 1 V2000
- -0.4139 0.0007 -0.0034 C 0 0 0
- -1.8159 0.0021 -0.0026 N 0 0 0
- 0.2822 1.1869 -0.1899 C 0 0 0
- 0.2803 -1.1862 0.1882 C 0 0 0
- -2.5416 -0.9643 -0.5786 C 0 0 0
- -2.5391 0.9669 0.5790 C 0 0 0
- 1.6649 1.1830 -0.1902 C 0 0 0
- 1.6626 -1.1851 0.1871 C 0 0 0
- -4.0122 -0.6582 -0.3963 C 0 0 0
- -2.0918 -1.9311 -1.1553 O 0 0 0
- -4.0105 0.6646 0.3966 C 0 0 0
- -2.0869 1.9300 1.1601 O 0 0 0
- 2.3545 -0.0019 -0.0049 C 0 0 0
- 2.5363 2.6662 -0.4240 Cl 0 0 0
- 2.5313 -2.6688 0.4271 Cl 0 0 0
- -0.2291 2.0827 0.0000 H 0 0 0
- -0.2325 -2.0811 0.0000 H 0 0 0
- -5.0411 -0.5868 0.0000 H 0 0 0
- -4.1533 -1.6799 0.0000 H 0 0 0
- -4.1490 1.6867 0.0000 H 0 0 0
- -5.0396 0.5959 0.0000 H 0 0 0
- 3.3859 -0.0030 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 6 12 2 0
- 7 13 2 0
- 7 14 1 0
- 8 15 1 0
- 8 13 1 0
- 9 11 1 0
- 3 16 1 0
- 4 17 1 0
- 9 18 1 0
- 9 19 1 0
- 11 20 1 0
- 11 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1477-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -0.0002 -0.7212 0.0000 C 0 0 0
- -1.1584 -0.0301 -0.3021 C 0 0 0
- 1.1585 -0.0299 0.3021 C 0 0 0
- -1.1583 1.3525 -0.3022 C 0 0 0
- -2.4211 -0.7836 -0.6319 C 0 0 0
- 1.1585 1.3522 0.3019 C 0 0 0
- 2.4212 -0.7834 0.6319 C 0 0 0
- -0.0002 2.0435 0.0002 C 0 0 0
- -3.1812 -1.0287 0.6011 N 0 0 0
- 3.1812 -1.0288 -0.6010 N 0 0 0
- -0.0002 -1.7331 0.0000 H 0 0 0
- -2.0383 1.8522 0.0000 H 0 0 0
- -2.5586 -1.7862 0.0000 H 0 0 0
- -1.5772 -1.3420 0.0000 H 0 0 0
- 2.0385 1.8519 0.0000 H 0 0 0
- 1.5772 -1.3417 0.0000 H 0 0 0
- 2.5584 -1.7860 0.0000 H 0 0 0
- -0.0002 3.0554 0.0000 H 0 0 0
- -3.9317 -0.3499 0.0000 H 0 0 0
- -3.3938 -2.0181 0.0000 H 0 0 0
- 3.3934 -2.0182 0.0000 H 0 0 0
- 3.9320 -0.3503 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 6 8 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-40180-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -1.0253 0.4257 0.0621 C 0 0 0
- -2.4801 0.6738 0.0877 C 0 0 0
- -0.1312 1.5002 0.0130 C 0 0 0
- -0.5369 -0.8838 0.0926 C 0 0 0
- -3.4162 -0.4501 0.0128 C 0 0 0
- -2.9021 1.8131 0.1710 O 0 0 0
- 1.2278 1.2627 -0.0108 C 0 0 0
- -0.7301 3.1294 -0.0185 Cl 0 0 0
- 0.8205 -1.1116 0.0686 C 0 0 0
- -4.8010 -0.4308 -0.0821 C 0 0 0
- -3.0734 -2.2010 0.0121 S 0 0 0
- 1.7070 -0.0420 0.0140 C 0 0 0
- 2.3400 2.5942 -0.0723 Cl 0 0 0
- -5.4397 -1.6434 -0.1381 C 0 0 0
- -4.7018 -2.7850 -0.1013 C 0 0 0
- 3.0446 -0.2721 -0.0100 O 0 0 0
- 3.2204 -1.6898 0.0247 C 0 0 0
- 4.6919 -2.0142 0.0003 C 0 0 0
- 5.0977 -3.2934 0.0260 O 0 0 0
- 5.5064 -1.1228 -0.0425 O 0 0 0
- -1.2005 -1.6878 0.0000 H 0 0 0
- 1.1840 -2.0886 0.0000 H 0 0 0
- -5.3334 0.4654 0.0000 H 0 0 0
- -6.4811 -1.6898 0.0000 H 0 0 0
- -5.0360 -3.7724 0.0000 H 0 0 0
- 2.1780 -1.7001 0.0000 H 0 0 0
- 3.1127 -2.7267 0.0000 H 0 0 0
- 5.4129 -4.2870 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 7 12 2 0
- 7 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 2 0
- 9 12 1 0
- 14 15 2 0
- 4 21 1 0
- 9 22 1 0
- 10 23 1 0
- 14 24 1 0
- 15 25 1 0
- 17 26 1 0
- 17 27 1 0
- 19 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-33-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- -4.3159 0.5471 -0.1069 N 0 0 0
- -4.9193 1.6918 0.4006 C 0 0 0
- -4.2934 -0.6831 0.6883 C 0 0 0
- -3.7078 0.5690 -1.4396 C 0 0 0
- -6.2368 1.9846 0.0623 C 0 0 0
- -4.2370 2.4910 1.2060 N 0 0 0
- -5.5900 -1.4274 0.4991 C 0 0 0
- -2.4835 1.4866 -1.4264 C 0 0 0
- -6.8249 3.1266 0.5748 C 0 0 0
- -4.7726 3.5870 1.7097 C 0 0 0
- -5.6941 -2.3934 -0.4850 C 0 0 0
- -6.6716 -1.1474 1.3132 C 0 0 0
- -1.8738 1.5086 -2.7627 N 0 0 0
- -6.0730 3.9409 1.4117 C 0 0 0
- -6.8812 -3.0773 -0.6603 C 0 0 0
- -7.8613 -1.8288 1.1420 C 0 0 0
- -0.7109 2.4024 -2.6814 C 0 0 0
- -1.3516 0.1581 -3.0108 C 0 0 0
- -7.9699 -2.7944 0.1522 C 0 0 0
- -9.1390 -3.4660 -0.0183 O 0 0 0
- -10.0534 -2.9567 0.9546 C 0 0 0
- 12.2808 -1.1254 -0.9359 C 0 0 0
- 11.5182 -0.0343 -0.7580 C 0 0 0
- 13.1821 -1.5792 0.1408 C 0 0 0
- 11.7463 0.8435 0.4060 C 0 0 0
- 14.3887 -2.0962 -0.1637 O 0 0 0
- 12.8365 -1.4867 1.3014 O 0 0 0
- 10.8992 1.8604 0.6593 O 0 0 0
- 12.6976 0.6495 1.1357 O 0 0 0
- -3.9739 -1.5488 0.0000 H 0 0 0
- -3.3865 -0.5125 0.0000 H 0 0 0
- -3.9674 -0.3165 0.0000 H 0 0 0
- -2.9495 0.0431 0.0000 H 0 0 0
- -6.8004 1.2539 0.0000 H 0 0 0
- -2.2239 2.3721 0.0000 H 0 0 0
- -3.2418 2.0125 0.0000 H 0 0 0
- -7.7393 3.2508 0.0000 H 0 0 0
- -4.1845 4.2981 0.0000 H 0 0 0
- -4.9211 -2.8974 0.0000 H 0 0 0
- -6.7943 -0.2328 0.0000 H 0 0 0
- -6.3278 4.8278 0.0000 H 0 0 0
- -6.7577 -3.9918 0.0000 H 0 0 0
- -8.6325 -1.3221 0.0000 H 0 0 0
- -0.1485 1.6707 0.0000 H 0 0 0
- 0.0208 2.9648 0.0000 H 0 0 0
- -1.2733 3.1341 0.0000 H 0 0 0
- -2.2123 -0.1747 0.0000 H 0 0 0
- -1.0188 -0.7026 0.0000 H 0 0 0
- -0.4909 0.4909 0.0000 H 0 0 0
- -9.6044 -2.1505 0.0000 H 0 0 0
- -10.8596 -2.5077 0.0000 H 0 0 0
- -10.5024 -3.7629 0.0000 H 0 0 0
- 11.6768 -1.8230 0.0000 H 0 0 0
- 10.6100 -0.1976 0.0000 H 0 0 0
- 15.2369 -2.4596 0.0000 H 0 0 0
- 10.3086 2.5694 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 15 19 1 0
- 19 20 1 0
- 20 21 1 0
- 22 23 2 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 25 28 1 0
- 25 29 2 0
- 10 14 2 0
- 16 19 2 0
- 3 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 5 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 10 38 1 0
- 11 39 1 0
- 12 40 1 0
- 14 41 1 0
- 15 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 18 49 1 0
- 21 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
- 23 54 1 0
- 26 55 1 0
- 28 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-139953-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 37 1 V2000
- -2.5930 -0.5830 -0.0006 C 0 0 0
- -4.0634 -0.5846 -0.0011 C 0 0 0
- -2.2013 0.7550 0.0008 C 0 0 0
- -1.6691 -1.5565 0.0036 N 0 0 0
- -4.4624 0.7629 0.0001 C 0 0 0
- -5.0246 -1.5958 -0.0023 C 0 0 0
- -3.3292 1.5478 0.0012 N 0 0 0
- -0.8183 1.0544 0.0015 C 0 0 0
- -0.4109 -1.2910 0.0029 N 0 0 0
- -5.8212 1.0697 -0.0004 C 0 0 0
- -6.3524 -1.2728 -0.0024 C 0 0 0
- 0.0594 0.0269 0.0007 N 0 0 0
- -0.4283 2.2104 0.0023 O 0 0 0
- -6.7532 0.0559 -0.0020 C 0 0 0
- 1.4373 0.2805 0.0009 N 0 0 0
- 2.2804 -0.7090 0.0002 C 0 0 0
- 3.7287 -0.4424 0.0003 C 0 0 0
- 4.6376 -1.5052 -0.0004 C 0 0 0
- 4.1994 0.8741 -0.0046 C 0 0 0
- 5.9912 -1.2509 -0.0002 C 0 0 0
- 5.5552 1.1185 -0.0044 C 0 0 0
- 6.4542 0.0594 0.0007 C 0 0 0
- 7.7898 0.3053 0.0008 O 0 0 0
- -4.7307 -2.5949 0.0000 H 0 0 0
- -3.3256 2.5892 0.0000 H 0 0 0
- -6.1316 2.0638 0.0000 H 0 0 0
- -7.0685 -2.0289 0.0000 H 0 0 0
- -7.7683 0.2885 0.0000 H 0 0 0
- 1.9316 -1.6902 0.0000 H 0 0 0
- 4.2915 -2.4874 0.0000 H 0 0 0
- 3.5262 1.6687 0.0000 H 0 0 0
- 6.6688 -2.0417 0.0000 H 0 0 0
- 5.9067 2.0988 0.0000 H 0 0 0
- 8.8140 0.4939 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 1 0
- 15 16 2 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 5 7 1 0
- 9 12 1 0
- 11 14 1 0
- 21 22 2 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 14 28 1 0
- 16 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 23 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75411-83-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.7303 -0.5191 0.1443 N 0 0 0
- -0.6213 -0.7128 0.6752 C 0 0 0
- 1.3939 0.5462 0.4423 N 0 0 0
- 1.3307 -1.5382 -0.7202 C 0 0 0
- -1.6412 -0.1147 -0.2959 C 0 0 0
- 2.5176 0.7072 0.0009 O 0 0 0
- -3.0527 -0.3170 0.2586 C 0 0 0
- -1.3868 1.2827 -0.4528 O 0 0 0
- -1.3158 -1.3482 0.0000 H 0 0 0
- -0.2189 -1.5638 0.0000 H 0 0 0
- 0.5197 -2.0160 0.0000 H 0 0 0
- 1.8085 -2.3492 0.0000 H 0 0 0
- 2.1417 -1.0604 0.0000 H 0 0 0
- -1.8227 -1.0384 0.0000 H 0 0 0
- -3.1862 0.6148 0.0000 H 0 0 0
- -3.9845 -0.4505 0.0000 H 0 0 0
- -2.9192 -1.2488 0.0000 H 0 0 0
- -1.2182 2.2088 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 1 0
- 5 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-526-73-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 21 1 V2000
- -0.0003 -0.7403 -0.0014 C 0 0 0
- -1.1971 -0.0490 -0.0006 C 0 0 0
- 1.1972 -0.0492 -0.0010 C 0 0 0
- -0.0006 -2.2473 0.0036 C 0 0 0
- -1.1968 1.3336 0.0006 C 0 0 0
- -2.5023 -0.8022 -0.0017 C 0 0 0
- 1.1975 1.3329 0.0003 C 0 0 0
- 2.5022 -0.8030 -0.0013 C 0 0 0
- 0.0003 2.0244 0.0015 C 0 0 0
- -1.0376 -2.2471 0.0000 H 0 0 0
- -0.0008 -3.2843 0.0000 H 0 0 0
- 1.0364 -2.2475 0.0000 H 0 0 0
- -2.0947 1.8523 0.0000 H 0 0 0
- -3.0206 0.0959 0.0000 H 0 0 0
- -3.4004 -1.3205 0.0000 H 0 0 0
- -1.9840 -1.7003 0.0000 H 0 0 0
- 2.0956 1.8512 0.0000 H 0 0 0
- 1.9835 -1.7009 0.0000 H 0 0 0
- 3.4001 -1.3217 0.0000 H 0 0 0
- 3.0209 0.0949 0.0000 H 0 0 0
- 0.0005 3.0614 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 7 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-97-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -0.0017 0.0042 1.4763 N 0 0 0
- 0.1814 -1.3534 0.9715 C 0 0 0
- 1.0820 0.8389 0.9664 C 0 0 0
- -1.2669 0.5227 0.9645 C 0 0 0
- 0.1863 -1.3810 -0.4889 N 0 0 0
- 1.1025 0.8493 -0.4941 N 0 0 0
- -1.2870 0.5276 -0.4961 N 0 0 0
- 1.2683 -0.5232 -0.9634 C 0 0 0
- -1.0832 -0.8398 -0.9653 C 0 0 0
- -0.1816 1.3549 -0.9704 C 0 0 0
- -0.7779 -0.9751 0.0000 H 0 0 0
- -0.6169 -2.0062 0.0000 H 0 0 0
- 1.0736 1.8701 0.0000 H 0 0 0
- 0.1549 1.2904 0.0000 H 0 0 0
- -0.4836 1.1935 0.0000 H 0 0 0
- -1.5066 1.5257 0.0000 H 0 0 0
- 1.7509 -1.4346 0.0000 H 0 0 0
- 2.2524 -0.2149 0.0000 H 0 0 0
- -2.1138 -0.8030 0.0000 H 0 0 0
- -1.3076 -1.8463 0.0000 H 0 0 0
- 0.3657 2.2289 0.0000 H 0 0 0
- -0.9404 2.0532 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 8 1 0
- 7 9 1 0
- 7 10 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3074-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 34 1 V2000
- 0.0000 -0.7990 -0.0022 C 0 0 0
- -1.2295 -0.1037 -0.0017 C 0 0 0
- 1.2295 -0.1036 -0.0016 C 0 0 0
- 0.0000 -2.2095 0.0026 C 0 0 0
- -1.2652 1.3075 -0.0001 C 0 0 0
- -2.4404 -0.8321 -0.0023 C 0 0 0
- 1.2651 1.3076 0.0000 C 0 0 0
- 2.4404 -0.8321 -0.0021 C 0 0 0
- -1.2262 -2.9080 0.0079 C 0 0 0
- 1.2262 -2.9080 0.0025 C 0 0 0
- 0.0000 2.0632 0.0005 C 0 0 0
- -2.4911 1.9653 0.0013 C 0 0 0
- -2.4061 -2.2443 -0.0040 C 0 0 0
- -3.6588 -0.1372 -0.0017 C 0 0 0
- 2.4911 1.9653 0.0015 C 0 0 0
- 2.4061 -2.2443 -0.0028 C 0 0 0
- 3.6588 -0.1372 -0.0013 C 0 0 0
- 0.0000 3.2809 0.0009 O 0 0 0
- -3.6719 1.2397 0.0011 C 0 0 0
- 3.6719 1.2397 0.0015 C 0 0 0
- -1.2233 -3.9661 0.0000 H 0 0 0
- 1.2233 -3.9661 0.0000 H 0 0 0
- -2.5221 3.0230 0.0000 H 0 0 0
- -3.3129 -2.7895 0.0000 H 0 0 0
- -4.5712 -0.6730 0.0000 H 0 0 0
- 2.5221 3.0230 0.0000 H 0 0 0
- 3.3129 -2.7895 0.0000 H 0 0 0
- 4.5712 -0.6730 0.0000 H 0 0 0
- -4.5979 1.7518 0.0000 H 0 0 0
- 4.5979 1.7518 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 11 18 2 0
- 12 19 2 0
- 15 20 2 0
- 7 11 1 0
- 9 13 2 0
- 10 16 2 0
- 14 19 1 0
- 17 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-109-08-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 13 1 V2000
- -0.9484 -0.0454 0.0020 C 0 0 0
- -0.1714 -1.1906 0.0013 C 0 0 0
- -0.3723 1.1436 0.0011 N 0 0 0
- -2.4514 -0.1545 -0.0024 C 0 0 0
- 1.1463 -1.0949 -0.0004 N 0 0 0
- 0.9458 1.2393 -0.0005 C 0 0 0
- 1.7224 0.0945 -0.0013 C 0 0 0
- -0.6035 -2.0826 0.0000 H 0 0 0
- -2.5232 0.8341 0.0000 H 0 0 0
- -3.4400 -0.2263 0.0000 H 0 0 0
- -2.3796 -1.1431 0.0000 H 0 0 0
- 1.3779 2.1313 0.0000 H 0 0 0
- 2.7110 0.1663 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13552-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -0.0541 0.0525 -0.2578 C 0 0 0
- -1.2989 0.7774 0.2581 C 0 0 0
- 1.1995 0.7580 0.2633 C 0 0 0
- -0.0656 -1.3002 0.2026 O 0 0 0
- -2.5525 0.0719 -0.2630 C 0 0 0
- 2.3946 0.0620 -0.2320 N 0 0 0
- -0.0462 1.1313 0.0000 H 0 0 0
- -0.6003 1.5996 0.0000 H 0 0 0
- -1.9853 1.6098 0.0000 H 0 0 0
- 1.8981 1.5802 0.0000 H 0 0 0
- 0.5131 1.5904 0.0000 H 0 0 0
- -0.0748 -2.3790 0.0000 H 0 0 0
- -3.0816 1.0121 0.0000 H 0 0 0
- -3.4927 -0.4572 0.0000 H 0 0 0
- -2.0234 -0.8683 0.0000 H 0 0 0
- 2.3905 -1.0169 0.0000 H 0 0 0
- 3.3309 0.5979 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-125-46-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- 0.7254 -0.0597 -0.9435 C 0 0 0
- -0.6358 -0.5058 -0.5335 C 0 0 0
- 0.7277 1.4120 -0.5459 C 0 0 0
- 1.8478 -0.6984 -0.1626 C 0 0 0
- 0.9266 -0.2254 -2.4511 C 0 0 0
- -1.3431 0.6653 -0.2471 C 0 0 0
- -1.2067 -1.7641 -0.4192 C 0 0 0
- -0.5572 1.7490 -0.3746 O 0 0 0
- 1.8486 2.1051 -0.2843 C 0 0 0
- 3.2123 -0.0506 -0.3295 C 0 0 0
- 1.6733 -1.6595 0.5475 O 0 0 0
- -2.6993 0.5935 0.1491 C 0 0 0
- -2.5418 -1.8325 -0.0147 C 0 0 0
- -0.4953 -2.8870 -0.6906 O 0 0 0
- 3.0851 1.4432 -0.1908 C 0 0 0
- 4.1500 -0.5751 0.7272 C 0 0 0
- -3.2697 -0.6931 0.2596 C 0 0 0
- -3.4760 1.7990 0.4322 C 0 0 0
- -3.2015 -3.1802 0.1256 C 0 0 0
- 4.0871 2.1002 0.0091 O 0 0 0
- 5.6271 -0.6703 0.4438 C 0 0 0
- 3.7179 -0.9191 1.8011 O 0 0 0
- -4.5645 -0.8120 0.6448 O 0 0 0
- -4.0935 2.5804 -0.6988 C 0 0 0
- -3.6236 2.1707 1.5782 O 0 0 0
- 0.2883 -1.0004 0.0000 H 0 0 0
- 1.7016 -0.8637 0.0000 H 0 0 0
- 1.5649 0.5496 0.0000 H 0 0 0
- 1.8173 3.1086 0.0000 H 0 0 0
- 3.1788 -1.0540 0.0000 H 0 0 0
- 0.0420 -3.7351 0.0000 H 0 0 0
- -4.1033 -2.7388 0.0000 H 0 0 0
- -3.6429 -4.0820 0.0000 H 0 0 0
- -2.2997 -3.6216 0.0000 H 0 0 0
- 5.5625 -1.6722 0.0000 H 0 0 0
- 6.6290 -0.7349 0.0000 H 0 0 0
- 5.6917 0.3316 0.0000 H 0 0 0
- -5.5643 -0.9038 0.0000 H 0 0 0
- -3.3058 3.2029 0.0000 H 0 0 0
- -4.7160 3.3681 0.0000 H 0 0 0
- -4.8812 1.9579 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 4 11 2 0
- 6 12 1 0
- 7 13 2 0
- 7 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 2 0
- 12 18 1 0
- 13 19 1 0
- 15 20 2 0
- 16 21 1 0
- 16 22 2 0
- 17 23 1 0
- 18 24 1 0
- 18 25 2 0
- 6 8 1 0
- 10 15 1 0
- 13 17 1 0
- 5 26 1 0
- 5 27 1 0
- 5 28 1 0
- 9 29 1 0
- 10 30 1 0
- 14 31 1 0
- 19 32 1 0
- 19 33 1 0
- 19 34 1 0
- 21 35 1 0
- 21 36 1 0
- 21 37 1 0
- 23 38 1 0
- 24 39 1 0
- 24 40 1 0
- 24 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-141-84-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 1.5938 -0.5110 -0.0018 C 0 0 0
- 0.3481 -0.9549 -0.0015 N 0 0 0
- 1.7468 1.0033 -0.0009 C 0 0 0
- 2.5481 -1.2588 0.0019 O 0 0 0
- -0.7261 -0.1439 -0.0003 C 0 0 0
- -0.0224 1.4984 0.0005 S 0 0 0
- -2.3808 -0.5834 0.0003 S 0 0 0
- 0.1751 -2.0832 0.0000 H 0 0 0
- 2.8741 0.8236 0.0000 H 0 0 0
- 1.9909 2.1184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 5 6 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-396-31-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -3.2442 0.5632 -0.0012 F 0 0 0
- -1.9529 0.1660 -0.0013 C 0 0 0
- -0.9501 1.0959 0.0005 C 0 0 0
- -1.6398 -1.1941 0.0024 C 0 0 0
- 0.3805 0.6373 0.0002 C 0 0 0
- -0.3987 -1.6154 0.0023 N 0 0 0
- 0.6269 -0.7580 -0.0020 C 0 0 0
- 1.4620 1.5332 0.0016 C 0 0 0
- 1.9559 -1.2170 -0.0023 C 0 0 0
- 2.7351 1.0510 0.0007 C 0 0 0
- 2.9799 -0.3210 -0.0006 C 0 0 0
- -1.1638 2.1091 0.0000 H 0 0 0
- -2.4080 -1.8884 0.0000 H 0 0 0
- 1.2920 2.5546 0.0000 H 0 0 0
- 2.1547 -2.2332 0.0000 H 0 0 0
- 3.5320 1.7122 0.0000 H 0 0 0
- 3.9569 -0.6641 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 8 5 1 0
- 9 7 1 0
- 10 8 2 0
- 11 9 2 0
- 6 7 1 0
- 10 11 1 0
- 3 12 1 0
- 4 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-520-36-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -1.9843 0.5708 -0.0024 C 0 0 0
- -1.3917 -0.7035 -0.0026 C 0 0 0
- -1.1070 1.7537 -0.0022 C 0 0 0
- -3.3789 0.6999 0.0036 C 0 0 0
- -0.0466 -0.8173 -0.0024 O 0 0 0
- -2.1992 -1.8304 -0.0027 C 0 0 0
- 0.2899 1.5284 -0.0023 C 0 0 0
- -1.5670 2.8842 -0.0024 O 0 0 0
- -4.1677 -0.4356 0.0092 C 0 0 0
- -3.9517 1.9302 0.0042 O 0 0 0
- 0.7635 0.2533 -0.0018 C 0 0 0
- -3.5787 -1.6954 -0.0025 C 0 0 0
- 2.2228 0.0386 -0.0014 C 0 0 0
- -4.3625 -2.8038 -0.0025 O 0 0 0
- 3.0922 1.1328 -0.0007 C 0 0 0
- 2.7403 -1.2601 0.0041 C 0 0 0
- 4.4543 0.9277 0.0001 C 0 0 0
- 4.1033 -1.4560 0.0049 C 0 0 0
- 4.9643 -0.3648 0.0002 C 0 0 0
- 6.3075 -0.5624 0.0006 O 0 0 0
- -1.7698 -2.7773 0.0000 H 0 0 0
- 0.9497 2.3319 0.0000 H 0 0 0
- -5.2036 -0.3474 0.0000 H 0 0 0
- -4.3905 2.8727 0.0000 H 0 0 0
- -4.9628 -3.6527 0.0000 H 0 0 0
- 2.7114 2.1002 0.0000 H 0 0 0
- 2.0970 -2.0768 0.0000 H 0 0 0
- 5.1017 1.7412 0.0000 H 0 0 0
- 4.4889 -2.4215 0.0000 H 0 0 0
- 7.3361 -0.7137 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 2 0
- 13 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 7 11 2 0
- 9 12 1 0
- 18 19 1 0
- 6 21 1 0
- 7 22 1 0
- 9 23 1 0
- 10 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
- 18 29 1 0
- 20 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25212-88-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 89 88 1 V2000
- 1.1472 1.1072 -0.6441 C 0 0 0
- -0.2358 1.1491 -1.2971 C 0 0 0
- 1.9019 -0.1330 -1.1271 C 0 0 0
- 1.9194 2.3445 -1.0234 C 0 0 0
- -1.3134 1.1255 -0.2112 C 0 0 0
- 3.0100 -0.4763 -0.1295 C 0 0 0
- 1.9504 3.3976 -0.1918 O 0 0 0
- 2.5107 2.3885 -2.0762 O 0 0 0
- -2.6680 0.8008 -0.8439 C 0 0 0
- -0.9720 0.0736 0.8125 C 0 0 0
- -1.3829 2.4947 0.4682 C 0 0 0
- 4.1825 -1.1207 -0.8716 C 0 0 0
- 3.4786 0.7825 0.5536 C 0 0 0
- 2.4697 -1.4534 0.9166 C 0 0 0
- 2.5982 4.6298 -0.6044 C 0 0 0
- -3.4148 -0.2029 0.0370 C 0 0 0
- -0.8830 -1.2149 0.4469 O 0 0 0
- -0.7784 0.3900 1.9624 O 0 0 0
- 5.4921 -0.7589 -0.1680 C 0 0 0
- 3.6708 0.7936 1.8820 O 0 0 0
- 3.6814 1.7819 -0.0945 O 0 0 0
- 2.6015 5.6198 0.5621 C 0 0 0
- -4.1684 0.5465 1.1377 C 0 0 0
- -4.3955 -0.9778 -0.8050 C 0 0 0
- 6.3573 -1.9876 -0.0544 C 0 0 0
- 6.2281 0.3100 -0.9783 C 0 0 0
- -5.6521 0.6301 0.7739 C 0 0 0
- -4.6204 -2.2762 -0.5492 O 0 0 0
- -4.9793 -0.4305 -1.7102 O 0 0 0
- 7.5620 -1.9082 0.5323 O 0 0 0
- 5.9667 -3.0441 -0.4914 O 0 0 0
- -6.1398 -0.7277 0.3384 C 0 0 0
- -6.4512 1.0917 1.9943 C 0 0 0
- -5.8417 1.6305 -0.3680 C 0 0 0
- -5.2576 -3.1135 -1.5498 C 0 0 0
- 8.3957 -3.0919 0.6417 C 0 0 0
- -6.0394 -1.7758 1.1710 O 0 0 0
- -6.6213 -0.8729 -0.7603 O 0 0 0
- -7.8965 0.6050 1.8713 C 0 0 0
- -5.5897 -4.4760 -0.9382 C 0 0 0
- 9.7052 -2.7302 1.3454 C 0 0 0
- 0.6753 0.2967 0.0000 H 0 0 0
- 0.2436 1.9552 0.0000 H 0 0 0
- -0.7084 1.9592 0.0000 H 0 0 0
- 0.9966 -0.3780 0.0000 H 0 0 0
- 1.8850 -1.0707 0.0000 H 0 0 0
- -2.6151 1.7372 0.0000 H 0 0 0
- -3.5496 1.1207 0.0000 H 0 0 0
- -0.4463 2.5422 0.0000 H 0 0 0
- -1.4304 3.4313 0.0000 H 0 0 0
- -2.3195 2.4472 0.0000 H 0 0 0
- 3.5305 -1.7948 0.0000 H 0 0 0
- 4.6613 -1.9271 0.0000 H 0 0 0
- 1.6490 -0.9996 0.0000 H 0 0 0
- 2.0159 -2.2741 0.0000 H 0 0 0
- 3.2904 -1.9072 0.0000 H 0 0 0
- 3.2190 3.9268 0.0000 H 0 0 0
- 3.4759 4.9602 0.0000 H 0 0 0
- -2.7421 -0.8564 0.0000 H 0 0 0
- -0.8184 -2.1505 0.0000 H 0 0 0
- 4.9482 0.0051 0.0000 H 0 0 0
- 4.6071 0.8477 0.0000 H 0 0 0
- 3.5393 5.6167 0.0000 H 0 0 0
- 2.6046 6.5576 0.0000 H 0 0 0
- 1.6637 5.6229 0.0000 H 0 0 0
- -3.3484 1.0016 0.0000 H 0 0 0
- -4.3778 1.4607 0.0000 H 0 0 0
- 7.0005 -0.2219 0.0000 H 0 0 0
- 6.7600 1.0824 0.0000 H 0 0 0
- 5.4556 0.8419 0.0000 H 0 0 0
- -5.8020 1.7685 0.0000 H 0 0 0
- -6.9538 1.8835 0.0000 H 0 0 0
- -4.9202 1.8051 0.0000 H 0 0 0
- -6.0163 2.5520 0.0000 H 0 0 0
- -6.7632 1.4559 0.0000 H 0 0 0
- -5.7348 -2.3061 0.0000 H 0 0 0
- -6.1853 -3.2512 0.0000 H 0 0 0
- 7.5722 -3.5406 0.0000 H 0 0 0
- 8.7472 -3.9614 0.0000 H 0 0 0
- -5.9500 -2.7094 0.0000 H 0 0 0
- -8.1958 1.4938 0.0000 H 0 0 0
- -8.7853 0.3057 0.0000 H 0 0 0
- -7.5972 -0.2838 0.0000 H 0 0 0
- -6.5009 -4.2539 0.0000 H 0 0 0
- -5.8118 -5.3872 0.0000 H 0 0 0
- -4.6785 -4.6981 0.0000 H 0 0 0
- 9.9549 -3.6342 0.0000 H 0 0 0
- 10.6092 -2.4805 0.0000 H 0 0 0
- 9.4555 -1.8262 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 2 0
- 12 19 1 0
- 13 20 1 0
- 13 21 2 0
- 15 22 1 0
- 16 23 1 0
- 16 24 1 0
- 19 25 1 0
- 19 26 1 0
- 23 27 1 0
- 24 28 1 0
- 24 29 2 0
- 25 30 1 0
- 25 31 2 0
- 27 32 1 0
- 27 33 1 0
- 27 34 1 0
- 28 35 1 0
- 30 36 1 0
- 32 37 1 0
- 32 38 2 0
- 33 39 1 0
- 35 40 1 0
- 36 41 1 0
- 1 42 1 0
- 2 43 1 0
- 2 44 1 0
- 3 45 1 0
- 3 46 1 0
- 9 47 1 0
- 9 48 1 0
- 11 49 1 0
- 11 50 1 0
- 11 51 1 0
- 12 52 1 0
- 12 53 1 0
- 14 54 1 0
- 14 55 1 0
- 14 56 1 0
- 15 57 1 0
- 15 58 1 0
- 16 59 1 0
- 17 60 1 0
- 19 61 1 0
- 20 62 1 0
- 22 63 1 0
- 22 64 1 0
- 22 65 1 0
- 23 66 1 0
- 23 67 1 0
- 26 68 1 0
- 26 69 1 0
- 26 70 1 0
- 33 71 1 0
- 33 72 1 0
- 34 73 1 0
- 34 74 1 0
- 34 75 1 0
- 35 76 1 0
- 35 77 1 0
- 36 78 1 0
- 36 79 1 0
- 37 80 1 0
- 39 81 1 0
- 39 82 1 0
- 39 83 1 0
- 40 84 1 0
- 40 85 1 0
- 40 86 1 0
- 41 87 1 0
- 41 88 1 0
- 41 89 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-113698-23-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 40 1 V2000
- -0.9905 0.4976 0.0034 C 0 0 0
- -1.7075 -0.7194 0.0023 C 0 0 0
- 0.4080 0.4292 0.0019 C 0 0 0
- -1.8896 1.5322 0.0003 N 0 0 0
- -3.1336 -0.3576 0.0041 C 0 0 0
- -1.0102 -1.9232 0.0000 C 0 0 0
- 1.0290 -0.8285 -0.0004 C 0 0 0
- 1.2299 1.6559 0.0024 C 0 0 0
- -3.1862 1.0457 -0.0029 C 0 0 0
- -4.3135 -1.1000 0.0040 C 0 0 0
- 0.3061 -1.9422 -0.0008 N 0 0 0
- -1.7722 -3.2234 -0.0010 C 0 0 0
- 2.5095 -0.8983 -0.0019 C 0 0 0
- 2.6900 1.5598 0.0004 C 0 0 0
- 0.6926 2.7475 0.0040 O 0 0 0
- -4.4240 1.6800 -0.0067 C 0 0 0
- -5.5297 -0.4524 0.0060 C 0 0 0
- 3.3035 0.3540 -0.0009 C 0 0 0
- 3.0693 -1.9755 -0.0034 O 0 0 0
- -5.5830 0.9333 -0.0093 C 0 0 0
- 4.6802 0.2890 -0.0019 N 0 0 0
- 5.9643 0.9941 -0.0019 C 0 0 0
- 5.8921 -0.5341 0.0026 C 0 0 0
- -1.6328 2.5457 0.0000 H 0 0 0
- -4.2757 -2.1448 0.0000 H 0 0 0
- -2.6742 -2.6948 0.0000 H 0 0 0
- -2.3008 -4.1254 0.0000 H 0 0 0
- -0.8702 -3.7520 0.0000 H 0 0 0
- 3.2655 2.4327 0.0000 H 0 0 0
- -4.4756 2.7242 0.0000 H 0 0 0
- -6.4155 -1.0077 0.0000 H 0 0 0
- -6.5104 1.4161 0.0000 H 0 0 0
- 7.0002 1.1358 0.0000 H 0 0 0
- 5.6364 1.9869 0.0000 H 0 0 0
- 5.4720 -1.4915 0.0000 H 0 0 0
- 6.9100 -0.7728 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 13 18 1 0
- 13 19 2 0
- 16 20 2 0
- 18 21 1 0
- 21 22 1 0
- 21 23 1 0
- 5 9 2 0
- 7 11 1 0
- 14 18 2 0
- 17 20 1 0
- 22 23 1 0
- 4 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
- 17 31 1 0
- 20 32 1 0
- 22 33 1 0
- 22 34 1 0
- 23 35 1 0
- 23 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-46-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.7889 -0.0008 -0.5001 C 0 0 0
- -0.5938 0.0000 -0.0158 N 0 3 0
- 1.5086 1.2493 0.0100 C 0 0 0
- 1.5087 -1.2491 0.0141 C 0 0 0
- -1.5172 -0.0014 -0.8100 O 0 0 0
- -0.8198 0.0019 1.1811 O 0 5 0
- 1.8259 -0.0004 0.0000 H 0 0 0
- 2.4073 0.7319 0.0000 H 0 0 0
- 2.0260 2.1480 0.0000 H 0 0 0
- 0.6099 1.7667 0.0000 H 0 0 0
- 0.6103 -1.7671 0.0000 H 0 0 0
- 2.0267 -2.1475 0.0000 H 0 0 0
- 2.4071 -0.7311 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 1 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-149-91-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.0322 -0.0279 0.0037 C 0 0 0
- -0.3127 -1.2259 0.0029 C 0 0 0
- -0.3516 1.1930 0.0026 C 0 0 0
- -2.5068 -0.0518 -0.0004 C 0 0 0
- 1.0693 -1.2006 0.0010 C 0 0 0
- 1.0301 1.2124 0.0006 C 0 0 0
- -3.1993 1.1041 0.0004 O 0 0 0
- -3.0972 -1.1137 -0.0045 O 0 0 0
- 1.7446 0.0169 -0.0006 C 0 0 0
- 1.7701 -2.3662 0.0002 O 0 0 0
- 1.6929 2.4000 -0.0009 O 0 0 0
- 3.1032 0.0389 -0.0025 O 0 0 0
- -0.8149 -2.1326 0.0000 H 0 0 0
- -0.8829 2.0830 0.0000 H 0 0 0
- -3.7320 1.9933 0.0000 H 0 0 0
- 2.3042 -3.2545 0.0000 H 0 0 0
- 2.1980 3.3051 0.0000 H 0 0 0
- 4.1396 0.0557 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 9 12 1 0
- 6 9 1 0
- 2 13 1 0
- 3 14 1 0
- 7 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-335-76-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 31 1 V2000
- 0.3484 -0.4013 0.0546 C 0 0 0
- -0.9224 0.4419 -0.0669 C 0 0 0
- 1.5753 0.5037 -0.0751 C 0 0 0
- 0.3683 -1.0381 1.3001 F 0 0 0
- 0.3689 -1.3630 -0.9612 F 0 0 0
- -2.1493 -0.4631 0.0628 C 0 0 0
- -0.9429 1.4036 0.9489 F 0 0 0
- -0.9423 1.0787 -1.3124 F 0 0 0
- 2.8461 -0.3395 0.0464 C 0 0 0
- 1.5554 1.1405 -1.3206 F 0 0 0
- 1.5548 1.4654 0.9407 F 0 0 0
- -3.4201 0.3801 -0.0587 C 0 0 0
- -2.1288 -1.4248 -0.9530 F 0 0 0
- -2.1294 -1.0999 1.3083 F 0 0 0
- 4.0730 0.5655 -0.0834 C 0 0 0
- 2.8660 -0.9763 1.2919 F 0 0 0
- 2.8666 -1.3012 -0.9695 F 0 0 0
- -4.6470 -0.5248 0.0710 C 0 0 0
- -3.4406 1.3419 0.9571 F 0 0 0
- -3.4400 1.0169 -1.3042 F 0 0 0
- 5.3438 -0.2778 0.0381 C 0 0 0
- 4.0531 1.2022 -1.3289 F 0 0 0
- 4.0525 1.5272 0.9325 F 0 0 0
- -5.8987 0.3057 -0.0486 C 0 0 0
- -4.6265 -1.4865 -0.9448 F 0 0 0
- -4.6271 -1.1616 1.3165 F 0 0 0
- 6.4656 0.5497 -0.0805 F 0 0 0
- 5.3637 -0.9145 1.2837 F 0 0 0
- 5.3643 -1.2395 -0.9777 F 0 0 0
- -6.1328 1.2967 0.8260 O 0 0 0
- -6.6916 0.0796 -0.9318 O 0 0 0
- -6.2987 1.9988 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 1 0
- 9 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 15 21 1 0
- 15 22 1 0
- 15 23 1 0
- 18 24 1 0
- 18 25 1 0
- 18 26 1 0
- 21 27 1 0
- 21 28 1 0
- 21 29 1 0
- 24 30 1 0
- 24 31 2 0
- 30 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-112022-05-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- -1.1393 -0.6390 -0.0258 C 0 0 0
- -2.1553 -1.6908 0.0807 C 0 0 0
- 0.2711 -1.0387 -0.0799 C 0 0 0
- -1.5121 0.6966 -0.0791 C 0 0 0
- -3.5069 -1.3541 0.1345 C 0 0 0
- -1.7369 -3.0375 0.1265 C 0 0 0
- 0.5786 -2.3886 -0.0282 C 0 0 0
- 1.3370 -0.0269 -0.1875 C 0 0 0
- -2.8654 1.0358 -0.0306 C 0 0 0
- -3.8836 -0.0125 0.0864 C 0 0 0
- -0.4173 -3.3524 0.0728 C 0 0 0
- 2.6298 -0.3986 -0.1041 N 0 0 0
- 1.0501 1.1435 -0.3517 O 0 0 0
- -3.2813 2.3826 -0.0829 C 0 0 0
- -5.2426 0.3651 0.1390 C 0 0 0
- 3.6895 0.6073 -0.2110 C 0 0 0
- -4.6060 2.6771 -0.0339 C 0 0 0
- -5.5745 1.6806 0.0902 C 0 0 0
- 5.0537 -0.0737 -0.0843 C 0 0 0
- 6.1164 0.9349 -0.1915 N 0 0 0
- 5.9969 1.8010 0.9889 C 0 0 0
- 7.3925 0.2189 -0.0624 C 0 0 0
- -0.7826 1.4458 0.0000 H 0 0 0
- -4.2353 -2.1044 0.0000 H 0 0 0
- -2.4512 -3.8013 0.0000 H 0 0 0
- 1.5810 -2.6865 0.0000 H 0 0 0
- -0.1410 -4.3610 0.0000 H 0 0 0
- 2.8781 -1.4144 0.0000 H 0 0 0
- -2.5723 3.1513 0.0000 H 0 0 0
- -5.9908 -0.3655 0.0000 H 0 0 0
- 4.2618 1.4825 0.0000 H 0 0 0
- 2.8865 1.2772 0.0000 H 0 0 0
- -4.9055 3.6790 0.0000 H 0 0 0
- -6.5846 1.9515 0.0000 H 0 0 0
- 4.4813 -0.9489 0.0000 H 0 0 0
- 5.8567 -0.7437 0.0000 H 0 0 0
- 7.0328 1.9439 0.0000 H 0 0 0
- 5.8540 2.8369 0.0000 H 0 0 0
- 4.9610 1.6581 0.0000 H 0 0 0
- 6.8808 -0.6931 0.0000 H 0 0 0
- 8.3045 -0.2928 0.0000 H 0 0 0
- 7.9042 1.1309 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 7 11 1 0
- 9 10 2 0
- 17 18 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2177-18-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.4870 -0.0544 -0.0011 C 0 0 0
- -0.7335 0.5181 0.0006 O 0 0 0
- 1.6925 0.7856 0.0009 C 0 0 0
- 0.5902 -1.2655 0.0008 O 0 0 0
- -1.8467 -0.2576 -0.0012 C 0 0 0
- 2.8975 0.2204 -0.0008 C 0 0 0
- -3.0392 0.3017 0.0004 C 0 0 0
- 1.6072 1.7866 0.0000 H 0 0 0
- -1.7614 -1.2586 0.0000 H 0 0 0
- 2.9828 -0.7806 0.0000 H 0 0 0
- 3.7218 0.7948 0.0000 H 0 0 0
- -3.1245 1.3027 0.0000 H 0 0 0
- -3.8634 -0.2727 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 3 8 1 0
- 5 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-31647-36-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 39 1 V2000
- -0.2917 -0.0121 -0.0021 C 0 0 0
- -1.6653 0.2893 -0.0017 C 0 0 0
- 0.6529 1.0297 0.0004 C 0 0 0
- 0.1447 -1.4091 0.0011 C 0 0 0
- -2.6199 -0.7520 -0.0032 C 0 0 0
- -2.0802 1.6410 0.0008 C 0 0 0
- 2.0724 0.6813 -0.0001 C 0 0 0
- 0.2156 2.3676 0.0037 C 0 0 0
- 1.4974 -1.7062 0.0003 C 0 0 0
- -0.8692 -2.4643 0.0045 C 0 0 0
- -2.1817 -2.1454 -0.0047 C 0 0 0
- -3.9769 -0.4224 -0.0027 C 0 0 0
- -1.1079 2.6661 0.0022 C 0 0 0
- -3.4502 1.9291 0.0012 C 0 0 0
- 2.4590 -0.6826 -0.0030 C 0 0 0
- 3.0561 1.6779 0.0017 C 0 0 0
- -0.4476 -3.9111 0.0073 C 0 0 0
- -4.3720 0.9031 -0.0008 C 0 0 0
- 3.8313 -1.0027 -0.0038 C 0 0 0
- 4.3742 1.3306 0.0008 C 0 0 0
- 4.7592 -0.0078 -0.0020 C 0 0 0
- 0.9255 3.1476 0.0000 H 0 0 0
- 1.8093 -2.7137 0.0000 H 0 0 0
- -2.9023 -2.9155 0.0000 H 0 0 0
- -4.7033 -1.1871 0.0000 H 0 0 0
- -1.4145 3.6752 0.0000 H 0 0 0
- -3.7778 2.9317 0.0000 H 0 0 0
- 2.7777 2.6952 0.0000 H 0 0 0
- -1.4602 -4.2062 0.0000 H 0 0 0
- -0.1525 -4.9237 0.0000 H 0 0 0
- 0.5650 -3.6160 0.0000 H 0 0 0
- -5.4010 1.1344 0.0000 H 0 0 0
- 4.1385 -2.0117 0.0000 H 0 0 0
- 5.1116 2.0847 0.0000 H 0 0 0
- 5.7849 -0.2536 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 2 0
- 7 16 1 0
- 10 17 1 0
- 12 18 2 0
- 15 19 1 0
- 16 20 2 0
- 19 21 2 0
- 8 13 2 0
- 9 15 1 0
- 10 11 2 0
- 14 18 1 0
- 20 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-41069-00-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -2.2059 -0.8046 0.7012 C 0 0 1
- -1.5211 -1.2756 -0.5834 C 0 0 2
- -3.1783 0.2998 0.3761 C 0 0 0
- -2.5960 -1.9985 0.0198 O 0 0 0
- -0.2132 -1.9411 -0.2405 C 0 0 0
- -4.4897 -0.0041 0.0628 C 0 0 0
- -2.7600 1.6175 0.3969 C 0 0 0
- 1.0213 -1.1434 -0.1670 C 0 0 0
- -0.1781 -3.1339 -0.0251 O 0 0 0
- -5.3818 1.0092 -0.2354 C 0 0 0
- -3.6519 2.6304 0.0988 C 0 0 0
- 2.2372 -1.7575 0.1510 C 0 0 0
- 0.9859 0.2313 -0.4203 C 0 0 0
- -4.9622 2.3260 -0.2203 C 0 0 0
- 3.3894 -1.0035 0.2175 C 0 0 0
- 2.1471 0.9718 -0.3499 C 0 0 0
- 3.3452 0.3579 -0.0295 C 0 0 0
- 4.5869 1.1600 0.0440 N 0 3 0
- 4.5517 2.3580 -0.1727 O 0 0 0
- 5.6439 0.6221 0.3212 O 0 5 0
- -1.5309 -0.0438 0.0000 H 0 0 0
- -1.0012 -0.4015 0.0000 H 0 0 0
- -4.8005 -0.9725 0.0000 H 0 0 0
- -1.7647 1.8268 0.0000 H 0 0 0
- -6.3772 0.8005 0.0000 H 0 0 0
- -3.3414 3.5989 0.0000 H 0 0 0
- 2.2940 -2.7730 0.0000 H 0 0 0
- 0.0879 0.7088 0.0000 H 0 0 0
- -5.6520 3.0734 0.0000 H 0 0 0
- 4.2918 -1.4727 0.0000 H 0 0 0
- 2.0992 1.9877 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 8 12 1 0
- 8 13 2 0
- 10 14 2 0
- 12 15 2 0
- 13 16 1 0
- 15 17 1 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 2 4 1 0
- 11 14 1 0
- 16 17 2 0
- 1 21 1 0
- 2 22 1 0
- 6 23 1 0
- 7 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 15 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13674-84-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- 0.1033 -0.3752 0.4053 P 0 0 0
- -0.9802 -0.8498 1.4976 O 0 0 0
- 0.5606 1.1352 0.7242 O 0 0 0
- 1.3852 -1.3476 0.4633 O 0 0 0
- -0.4994 -0.4335 -0.9451 O 0 0 0
- -2.1829 -0.1269 1.2275 C 0 0 0
- 0.5710 1.8353 -0.5215 C 0 0 0
- 2.1123 -1.1452 -0.7501 C 0 0 0
- -3.2495 -1.0897 0.7019 C 0 0 0
- -2.6812 0.5329 2.5148 C 0 0 0
- -0.5680 2.8565 -0.5422 C 0 0 0
- 1.9084 2.5596 -0.6883 C 0 0 0
- 3.6136 -1.1894 -0.4584 C 0 0 0
- 1.7543 -2.2473 -1.7491 C 0 0 0
- -2.6621 -1.8674 -0.8150 Cl 0 0 0
- -2.1293 2.0092 -0.8510 Cl 0 0 0
- 4.0578 0.1882 0.6166 Cl 0 0 0
- -1.4706 0.6649 0.0000 H 0 0 0
- -0.4047 1.4083 0.0000 H 0 0 0
- 1.9837 -0.0879 0.0000 H 0 0 0
- -3.9398 -0.2787 0.0000 H 0 0 0
- -4.0803 -1.7561 0.0000 H 0 0 0
- -1.8313 1.1748 0.0000 H 0 0 0
- -3.3231 1.3828 0.0000 H 0 0 0
- -3.5311 -0.1090 0.0000 H 0 0 0
- 0.2287 3.5633 0.0000 H 0 0 0
- -1.1794 3.7286 0.0000 H 0 0 0
- 2.4156 1.6231 0.0000 H 0 0 0
- 2.8449 3.0668 0.0000 H 0 0 0
- 1.4012 3.4961 0.0000 H 0 0 0
- 3.4823 -2.2463 0.0000 H 0 0 0
- 4.6535 -1.4195 0.0000 H 0 0 0
- 0.7414 -1.9183 0.0000 H 0 0 0
- 1.4253 -3.2602 0.0000 H 0 0 0
- 2.7672 -2.5763 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 13 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 14 34 1 0
- 14 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-465-29-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 1.3429 -2.1205 -0.0247 C 0 0 0
- 0.6233 -0.8016 0.2644 C 0 0 0
- 1.0398 0.4282 -0.6177 C 0 0 0
- -0.8966 -0.7989 0.0473 C 0 0 0
- 0.8188 -0.2122 1.6948 C 0 0 0
- 2.4951 0.8386 -0.3837 C 0 0 0
- 0.7463 0.1987 -2.1016 C 0 0 0
- 0.0291 1.4343 0.0380 C 0 0 0
- -1.6299 -1.7577 0.0026 O 0 0 0
- -1.2799 0.6440 -0.0977 C 0 0 0
- 0.4323 1.2782 1.5539 C 0 0 0
- -2.3869 1.0906 -0.2826 O 0 0 0
- 0.4040 -2.6328 0.0000 H 0 0 0
- 1.8552 -3.0594 0.0000 H 0 0 0
- 2.2818 -1.6082 0.0000 H 0 0 0
- 1.6686 -0.8616 0.0000 H 0 0 0
- 1.7099 0.3793 0.0000 H 0 0 0
- 2.7854 -0.1908 0.0000 H 0 0 0
- 3.5245 1.1289 0.0000 H 0 0 0
- 2.2048 1.8680 0.0000 H 0 0 0
- 0.0875 1.0413 0.0000 H 0 0 0
- -0.0963 -0.4601 0.0000 H 0 0 0
- 1.4051 -0.6439 0.0000 H 0 0 0
- -0.0637 2.4998 0.0000 H 0 0 0
- 1.5007 1.3274 0.0000 H 0 0 0
- 0.6045 2.3338 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 3 1 0
- 9 4 2 0
- 10 4 1 0
- 11 5 1 0
- 12 10 2 0
- 8 10 1 0
- 8 11 1 0
- 1 13 1 0
- 1 14 1 0
- 1 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 11 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24554-26-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.8693 -0.3980 -0.0013 C 0 0 0
- -0.4723 -0.0129 -0.0016 C 0 0 0
- 1.9365 0.4305 -0.0014 O 0 0 0
- 1.3586 -1.7317 0.0052 C 0 0 0
- -1.4522 -0.8959 -0.0016 N 0 0 0
- -0.8805 1.4158 0.0043 C 0 0 0
- 3.0617 -0.2930 -0.0011 C 0 0 0
- 2.7349 -1.6433 0.0029 C 0 0 0
- -2.7151 -0.5126 -0.0014 C 0 0 0
- -2.6111 1.2684 0.0017 S 0 0 0
- 4.4364 0.2575 -0.0010 N 0 3 0
- -3.8380 -1.2955 -0.0013 N 0 0 0
- 5.3939 -0.4953 -0.0007 O 0 0 0
- 4.6377 1.6591 -0.0013 O 0 5 0
- -5.0583 -0.7234 -0.0011 C 0 0 0
- -5.1616 0.4845 -0.0010 O 0 0 0
- 0.7939 -2.5983 0.0000 H 0 0 0
- -0.2933 2.2673 0.0000 H 0 0 0
- 3.4003 -2.4353 0.0000 H 0 0 0
- -3.7499 -2.3261 0.0000 H 0 0 0
- -5.9068 -1.3150 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 1 0
- 15 16 2 0
- 7 8 2 0
- 9 10 1 0
- 4 17 1 0
- 6 18 1 0
- 8 19 1 0
- 12 20 1 0
- 15 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-484-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- 0.9316 -0.5307 -0.0014 C 0 0 0
- -0.5178 -0.7520 -0.0007 C 0 0 0
- 1.4276 0.7920 -0.0009 C 0 0 0
- 1.8256 -1.6044 0.0034 C 0 0 0
- -1.3773 0.3687 0.0003 C 0 0 0
- -1.0610 -2.0384 -0.0016 C 0 0 0
- 0.5384 1.8902 0.0006 C 0 0 0
- 2.8159 1.0006 -0.0015 C 0 0 0
- 3.1704 -1.3678 0.0032 C 0 0 0
- -0.8045 1.7134 0.0002 C 0 0 0
- -2.7632 0.1710 0.0009 C 0 0 0
- -2.4173 -2.1997 -0.0014 C 0 0 0
- 3.6627 -0.0680 -0.0025 C 0 0 0
- -1.6259 2.7949 0.0008 O 0 0 0
- -3.2649 -1.0983 0.0005 C 0 0 0
- 1.4653 -2.5878 0.0000 H 0 0 0
- -0.4315 -2.8754 0.0000 H 0 0 0
- 0.9265 2.8629 0.0000 H 0 0 0
- 3.2002 1.9748 0.0000 H 0 0 0
- 3.8382 -2.1746 0.0000 H 0 0 0
- -3.4119 0.9932 0.0000 H 0 0 0
- -2.8235 -3.1650 0.0000 H 0 0 0
- 4.6976 0.0927 0.0000 H 0 0 0
- -2.2593 3.6289 0.0000 H 0 0 0
- -4.3020 -1.2442 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 1 0
- 11 15 2 0
- 7 10 2 0
- 9 13 1 0
- 12 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 14 24 1 0
- 15 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-540-49-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.4617 -0.4663 -0.0049 C 0 0 0
- -0.4617 0.4663 0.0049 C 0 0 0
- 2.2907 0.0141 0.0001 Br 0 0 0
- -2.2907 -0.0141 -0.0001 Br 0 0 0
- 0.0878 -1.8344 0.0000 H 0 0 0
- -0.0878 1.8344 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115767-74-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 74 1 V2000
- 0.5491 0.3765 0.2269 C 0 0 0
- 0.4187 1.6825 0.5680 C 0 0 0
- 1.8954 -0.2142 0.0625 C 0 0 0
- -0.6550 -0.4590 0.0251 C 0 0 0
- -0.8773 2.3584 0.4078 C 0 0 0
- 1.6021 2.4411 1.1113 C 0 0 0
- 2.4758 -0.9346 1.1076 C 0 0 0
- 2.5863 -0.0575 -1.1405 C 0 0 0
- -1.0625 -0.7988 -1.2658 C 0 0 0
- -1.3833 -0.9145 1.1257 C 0 0 0
- -1.6773 2.6189 1.5252 C 0 0 0
- -1.3142 2.7495 -0.8626 C 0 0 0
- 2.2185 3.2902 -0.0022 C 0 0 0
- 3.7304 -1.4840 0.9505 C 0 0 0
- 3.8402 -0.6097 -1.2900 C 0 0 0
- -2.1851 -1.5775 -1.4498 C 0 0 0
- -2.5044 -1.6926 0.9337 C 0 0 0
- -2.8914 3.2532 1.3664 C 0 0 0
- -2.5305 3.3827 -1.0044 C 0 0 0
- 4.4166 -1.3215 -0.2457 C 0 0 0
- -2.9101 -2.0238 -0.3528 C 0 0 0
- -3.3190 3.6317 0.1059 C 0 0 0
- 5.6529 -1.8640 -0.3967 O 0 0 0
- -4.0159 -2.7911 -0.5381 O 0 0 0
- -4.6472 4.3244 -0.0584 C 0 0 0
- 6.7153 -0.6966 -0.0794 P 0 0 0
- -4.5354 -3.0871 0.7598 C 0 0 0
- -4.4292 5.7038 -0.6835 C 0 0 0
- -5.5490 3.4887 -0.9689 C 0 0 0
- 6.7612 -0.4297 1.5077 O 0 0 0
- 8.1745 -1.1454 -0.5906 O 0 0 0
- 6.3082 0.5438 -0.7766 O 0 0 0
- -5.7889 -3.9535 0.6219 C 0 0 0
- -6.8586 -3.1700 -0.0105 N 0 0 0
- -7.2703 -3.9096 -1.2110 C 0 0 0
- -8.0012 -3.1936 0.9125 C 0 0 0
- 1.7689 1.4736 0.0000 H 0 0 0
- 2.5583 2.2186 0.0000 H 0 0 0
- 1.8796 -1.7146 0.0000 H 0 0 0
- 2.6803 0.9197 0.0000 H 0 0 0
- -0.4678 -1.5799 0.0000 H 0 0 0
- -1.9236 -0.0948 0.0000 H 0 0 0
- -2.0579 1.7139 0.0000 H 0 0 0
- -0.7558 3.5570 0.0000 H 0 0 0
- 3.0130 2.7135 0.0000 H 0 0 0
- 2.7952 4.0847 0.0000 H 0 0 0
- 1.4240 3.8669 0.0000 H 0 0 0
- 3.6421 -2.4618 0.0000 H 0 0 0
- 4.4363 0.1704 0.0000 H 0 0 0
- -1.6478 -2.3992 0.0000 H 0 0 0
- -3.0952 -0.9085 0.0000 H 0 0 0
- -3.4482 2.4446 0.0000 H 0 0 0
- -2.1546 4.2896 0.0000 H 0 0 0
- -5.5134 4.7865 0.0000 H 0 0 0
- -4.5582 -2.1056 0.0000 H 0 0 0
- -5.4101 -2.6413 0.0000 H 0 0 0
- -3.4595 5.5505 0.0000 H 0 0 0
- -4.2759 6.6735 0.0000 H 0 0 0
- -5.3989 5.8571 0.0000 H 0 0 0
- -6.2163 4.2088 0.0000 H 0 0 0
- -6.2691 2.8214 0.0000 H 0 0 0
- -4.8817 2.7686 0.0000 H 0 0 0
- 6.9276 0.5378 0.0000 H 0 0 0
- 9.1129 -1.4340 0.0000 H 0 0 0
- -6.4534 -4.6762 0.0000 H 0 0 0
- -5.1445 -4.6941 0.0000 H 0 0 0
- -8.1281 -3.4321 0.0000 H 0 0 0
- -7.7478 -4.7674 0.0000 H 0 0 0
- -6.4125 -4.3871 0.0000 H 0 0 0
- -8.0215 -2.2121 0.0000 H 0 0 0
- -8.9827 -3.2139 0.0000 H 0 0 0
- -7.9809 -4.1751 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 10 17 2 0
- 11 18 1 0
- 12 19 2 0
- 14 20 2 0
- 16 21 2 0
- 18 22 2 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 25 29 1 0
- 26 30 1 0
- 26 31 1 0
- 26 32 2 0
- 27 33 1 0
- 33 34 1 0
- 34 35 1 0
- 34 36 1 0
- 15 20 1 0
- 17 21 1 0
- 19 22 1 0
- 6 37 1 0
- 6 38 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 10 42 1 0
- 11 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 13 47 1 0
- 14 48 1 0
- 15 49 1 0
- 16 50 1 0
- 17 51 1 0
- 18 52 1 0
- 19 53 1 0
- 25 54 1 0
- 27 55 1 0
- 27 56 1 0
- 28 57 1 0
- 28 58 1 0
- 28 59 1 0
- 29 60 1 0
- 29 61 1 0
- 29 62 1 0
- 30 63 1 0
- 31 64 1 0
- 33 65 1 0
- 33 66 1 0
- 35 67 1 0
- 35 68 1 0
- 35 69 1 0
- 36 70 1 0
- 36 71 1 0
- 36 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57609-64-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 4.8621 0.1942 -0.0009 C 0 0 0
- 3.6588 1.0451 -0.0008 C 0 0 0
- 6.1331 0.7778 -0.0012 C 0 0 0
- 4.7356 -1.1986 0.0052 C 0 0 0
- 2.4348 0.4813 -0.0004 O 0 0 0
- 3.7703 2.2552 -0.0010 O 0 0 0
- 7.2531 -0.0223 -0.0014 C 0 0 0
- 5.8510 -1.9867 0.0051 C 0 0 0
- 1.2492 1.3196 -0.0003 C 0 0 0
- 7.1175 -1.4081 -0.0012 C 0 0 0
- 0.0000 0.4362 0.0001 C 0 0 0
- 8.2489 -2.2156 -0.0018 N 0 0 0
- -1.2492 1.3196 0.0002 C 0 0 0
- -2.4348 0.4812 0.0006 O 0 0 0
- -3.6588 1.0451 0.0008 C 0 0 0
- -4.8621 0.1942 0.0012 C 0 0 0
- -3.7703 2.2552 0.0006 O 0 0 0
- -6.1331 0.7778 0.0013 C 0 0 0
- -4.7356 -1.1986 -0.0045 C 0 0 0
- -7.2531 -0.0223 0.0012 C 0 0 0
- -5.8510 -1.9867 -0.0045 C 0 0 0
- -7.1175 -1.4081 0.0010 C 0 0 0
- -8.2489 -2.2156 0.0009 N 0 0 0
- 6.2321 1.8174 0.0000 H 0 0 0
- 3.7875 -1.6364 0.0000 H 0 0 0
- 8.2039 0.4097 0.0000 H 0 0 0
- 5.7537 -3.0265 0.0000 H 0 0 0
- 1.9446 2.0987 0.0000 H 0 0 0
- 0.5537 2.0986 0.0000 H 0 0 0
- -0.6955 -0.3428 0.0000 H 0 0 0
- 0.6955 -0.3428 0.0000 H 0 0 0
- 8.1485 -3.2551 0.0000 H 0 0 0
- 9.1993 -1.7828 0.0000 H 0 0 0
- -0.5537 2.0986 0.0000 H 0 0 0
- -1.9447 2.0987 0.0000 H 0 0 0
- -6.2321 1.8174 0.0000 H 0 0 0
- -3.7875 -1.6364 0.0000 H 0 0 0
- -8.2039 0.4097 0.0000 H 0 0 0
- -5.7537 -3.0265 0.0000 H 0 0 0
- -9.1993 -1.7828 0.0000 H 0 0 0
- -8.1485 -3.2551 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 2 0
- 16 18 2 0
- 16 19 1 0
- 18 20 1 0
- 19 21 2 0
- 20 22 2 0
- 22 23 1 0
- 8 10 1 0
- 21 22 1 0
- 3 24 1 0
- 4 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 11 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
- 21 39 1 0
- 23 40 1 0
- 23 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119525-97-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 57 1 V2000
- -2.8253 0.1484 0.0560 C 0 0 1
- -2.5386 -1.2418 -0.5878 C 0 0 1
- -1.5740 0.9411 0.4037 C 0 0 1
- -3.1808 -0.1262 -1.4018 C 0 0 0
- -3.8255 -0.1243 1.1432 C 0 0 0
- -1.0948 -1.6145 -0.8217 C 0 0 0
- -3.4079 -2.2031 0.2233 C 0 0 2
- -0.6016 0.7659 -0.7879 C 0 0 2
- -1.7400 2.4643 0.4407 C 0 0 0
- -4.1218 -1.4215 1.2121 O 0 0 0
- -4.2997 0.7230 1.8623 O 0 0 0
- -0.1617 -0.6443 -0.8981 C 0 0 0
- -0.7106 -3.0185 -0.9641 C 0 0 0
- -2.5741 -3.1583 0.8826 O 0 0 0
- 0.4483 1.8419 -0.5608 C 0 0 1
- -1.3138 1.0876 -1.9843 O 0 0 0
- -0.2947 2.9776 0.1897 C 0 0 0
- 0.4371 -3.3095 -1.2294 O 0 0 0
- 1.5061 1.3154 0.2831 O 0 0 0
- -0.3285 4.2417 -0.6716 C 0 0 0
- 0.3981 3.2689 1.5224 C 0 0 0
- 2.7011 0.9975 -0.2536 C 0 0 0
- 3.7717 0.4646 0.6004 C 0 0 0
- 2.8931 1.1515 -1.4438 O 0 0 0
- 4.9515 0.1507 0.0706 C 0 0 0
- 6.0494 -0.3957 0.9464 C 0 0 0
- 6.4499 -1.7876 0.4534 C 0 0 0
- 7.5646 -2.3424 1.3426 C 0 0 0
- -1.3919 0.0103 0.0000 H 0 0 0
- -3.7261 0.6498 0.0000 H 0 0 0
- -3.9806 -0.6360 0.0000 H 0 0 0
- -4.1153 -2.8348 0.0000 H 0 0 0
- -1.9872 3.3799 0.0000 H 0 0 0
- -2.6720 2.2888 0.0000 H 0 0 0
- 0.7614 -0.8621 0.0000 H 0 0 0
- -1.3749 -3.6954 0.0000 H 0 0 0
- -1.9504 -3.8728 0.0000 H 0 0 0
- 1.0784 2.5508 0.0000 H 0 0 0
- -2.1781 1.4780 0.0000 H 0 0 0
- 0.6196 4.2671 0.0000 H 0 0 0
- -0.3539 5.1898 0.0000 H 0 0 0
- -1.2766 4.2164 0.0000 H 0 0 0
- 0.7657 2.3946 0.0000 H 0 0 0
- 1.2724 3.6365 0.0000 H 0 0 0
- 0.0305 4.1432 0.0000 H 0 0 0
- 3.4368 -0.4227 0.0000 H 0 0 0
- 5.2864 1.0380 0.0000 H 0 0 0
- 6.9973 -0.3646 0.0000 H 0 0 0
- 6.2512 0.5310 0.0000 H 0 0 0
- 5.5020 -1.8187 0.0000 H 0 0 0
- 6.2480 -2.7143 0.0000 H 0 0 0
- 7.1420 -3.1915 0.0000 H 0 0 0
- 8.4137 -2.7650 0.0000 H 0 0 0
- 7.9872 -1.4933 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 9 17 1 0
- 13 18 2 0
- 15 19 1 0
- 17 20 1 0
- 17 21 1 0
- 19 22 1 0
- 22 23 1 0
- 22 24 2 0
- 23 25 2 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 2 4 1 0
- 7 10 1 0
- 8 12 1 0
- 15 17 1 0
- 3 29 1 0
- 4 30 1 0
- 4 31 1 0
- 7 32 1 0
- 9 33 1 0
- 9 34 1 0
- 12 35 1 0
- 13 36 1 0
- 14 37 1 0
- 15 38 1 0
- 16 39 1 0
- 20 40 1 0
- 20 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 21 45 1 0
- 23 46 1 0
- 25 47 1 0
- 26 48 1 0
- 26 49 1 0
- 27 50 1 0
- 27 51 1 0
- 28 52 1 0
- 28 53 1 0
- 28 54 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-54-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 24 1 V2000
- 1.3729 -0.3768 -0.0029 C 0 0 0
- 0.0935 -0.9015 -0.0034 C 0 0 0
- 1.5594 1.0034 -0.0003 C 0 0 0
- 2.4490 -1.2085 0.0006 O 0 0 0
- -1.0086 -0.0452 -0.0012 C 0 0 0
- 0.4640 1.8541 0.0014 C 0 0 0
- 2.8179 1.5179 0.0001 O 0 0 0
- 1.9392 -2.5434 0.0032 C 0 0 0
- -0.8148 1.3369 0.0014 C 0 0 0
- -2.3779 -0.6009 -0.0011 C 0 0 0
- -3.4240 0.2139 0.0009 C 0 0 0
- -4.8204 -0.3527 0.0010 C 0 0 0
- -0.0475 -1.9343 0.0000 H 0 0 0
- 0.6074 2.8866 0.0000 H 0 0 0
- 3.7828 1.9124 0.0000 H 0 0 0
- 0.9654 -2.1715 0.0000 H 0 0 0
- 1.5673 -3.5172 0.0000 H 0 0 0
- 2.9130 -2.9153 0.0000 H 0 0 0
- -1.6364 1.9784 0.0000 H 0 0 0
- -2.5214 -1.6334 0.0000 H 0 0 0
- -3.2805 1.2464 0.0000 H 0 0 0
- -5.2123 0.6132 0.0000 H 0 0 0
- -5.7863 -0.7446 0.0000 H 0 0 0
- -4.4285 -1.3186 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 10 11 2 0
- 11 12 1 0
- 6 9 2 0
- 2 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2752-54-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- 0.7981 0.7211 -0.3141 O 0 0 0
- -0.1509 -0.2183 0.1950 C 0 0 0
- 2.0311 0.1930 -0.0929 C 0 0 0
- -1.5457 0.3101 -0.0203 C 0 0 0
- 3.1660 0.8889 -0.4860 C 0 0 0
- 2.1571 -1.0394 0.5309 C 0 0 0
- -2.6096 -0.4121 0.3834 N 0 0 0
- -1.7109 1.3851 -0.5568 O 0 0 0
- 3.0123 2.4352 -1.2601 Cl 0 0 0
- 4.4188 0.3497 -0.2600 C 0 0 0
- 3.4109 -1.5746 0.7548 C 0 0 0
- -3.9656 0.1015 0.1741 C 0 0 0
- 4.5412 -0.8823 0.3573 C 0 0 0
- -4.9325 -1.0704 -0.0071 C 0 0 0
- -4.3839 0.9174 1.3701 C 0 0 0
- 6.1153 -1.5578 0.6395 Cl 0 0 0
- -4.7260 -1.6927 -1.3895 C 0 0 0
- -3.9481 0.6514 2.4652 O 0 0 0
- -5.2404 1.9397 1.2188 O 0 0 0
- -4.4919 -3.1975 -1.2415 C 0 0 0
- -5.9693 -1.4521 -2.2480 C 0 0 0
- -0.6348 -1.0937 0.0000 H 0 0 0
- 0.6468 -0.8218 0.0000 H 0 0 0
- 1.3516 -1.6324 0.0000 H 0 0 0
- -2.4927 -1.4055 0.0000 H 0 0 0
- 5.2260 0.9404 0.0000 H 0 0 0
- 3.4839 -2.5722 0.0000 H 0 0 0
- -3.2989 0.8472 0.0000 H 0 0 0
- -5.5724 -0.3016 0.0000 H 0 0 0
- -5.8068 -1.5563 0.0000 H 0 0 0
- -3.7538 -1.4575 0.0000 H 0 0 0
- -5.8828 2.7064 0.0000 H 0 0 0
- -5.4803 -3.3513 0.0000 H 0 0 0
- -4.3381 -4.1859 0.0000 H 0 0 0
- -3.5035 -3.0437 0.0000 H 0 0 0
- -5.7793 -0.4701 0.0000 H 0 0 0
- -6.9513 -1.2621 0.0000 H 0 0 0
- -6.1593 -2.4341 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 1 0
- 11 6 2 0
- 12 7 1 0
- 13 10 2 0
- 14 12 1 0
- 15 12 1 0
- 16 13 1 0
- 17 14 1 0
- 18 15 2 0
- 19 15 1 0
- 20 17 1 0
- 21 17 1 0
- 11 13 1 0
- 2 22 1 0
- 2 23 1 0
- 6 24 1 0
- 7 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 14 30 1 0
- 17 31 1 0
- 19 32 1 0
- 20 33 1 0
- 20 34 1 0
- 20 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71721-78-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- -1.6265 0.2523 -0.0066 C 0 0 0
- -1.4661 -1.1299 -0.0048 C 0 0 0
- -0.5351 1.0640 -0.0057 O 0 0 0
- -2.8989 0.7992 -0.0035 C 0 0 0
- -0.2178 -1.6700 -0.0021 O 0 0 0
- -2.5793 -1.9538 -0.0051 C 0 0 0
- 0.7135 0.5239 -0.0031 C 0 0 0
- -4.0069 -0.0288 0.0014 C 0 0 0
- 0.8739 -0.8582 -0.0013 C 0 0 0
- -3.8476 -1.4017 -0.0074 C 0 0 0
- 1.8263 1.3483 -0.0027 C 0 0 0
- -5.3664 0.5568 0.0052 N 0 3 0
- 2.1459 -1.4059 0.0014 C 0 0 0
- 3.0957 0.7967 -0.0005 C 0 0 0
- -6.3430 -0.1710 0.0095 O 0 0 0
- -5.5085 1.7665 0.0040 O 0 5 0
- 3.2552 -0.5783 0.0022 C 0 0 0
- 4.4900 1.8309 0.0000 Cl 0 0 0
- 4.8493 -1.2657 0.0055 Cl 0 0 0
- -3.0210 1.8300 0.0000 H 0 0 0
- -2.4620 -2.9852 0.0000 H 0 0 0
- -4.6815 -2.0198 0.0000 H 0 0 0
- 1.7084 2.3796 0.0000 H 0 0 0
- 2.2673 -2.4368 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 12 15 2 0
- 12 16 1 0
- 13 17 2 0
- 14 18 1 0
- 17 19 1 0
- 7 9 2 0
- 8 10 1 0
- 14 17 1 0
- 4 20 1 0
- 6 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-136587-13-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 43 1 V2000
- 2.2650 0.1565 -0.0749 N 0 0 0
- 1.0331 0.7353 0.4777 C 0 0 0
- 3.3648 1.0449 0.3240 C 0 0 0
- 2.4652 -1.0304 0.5709 N 0 0 0
- -0.1803 0.0774 -0.1823 C 0 0 0
- 4.6136 0.7093 -0.4937 C 0 0 0
- 2.5773 -2.1224 -0.1065 N 0 0 0
- 2.5495 -1.0620 1.9840 O 0 0 0
- -1.4633 0.6802 0.3933 C 0 0 0
- 5.7591 1.6346 -0.0782 C 0 0 0
- 2.4163 -2.1094 -1.3138 O 0 0 0
- -2.6767 0.0223 -0.2667 C 0 0 0
- 6.9582 1.3124 -0.8632 N 0 0 0
- -3.9086 0.6011 0.2860 N 0 0 0
- -5.0290 -0.0704 -0.3861 C 0 0 0
- -6.3508 0.4877 0.1452 C 0 0 0
- -7.5178 -0.2116 -0.5549 C 0 0 0
- -8.7869 0.3243 -0.0448 N 0 0 0
- 1.6515 1.5475 0.0000 H 0 0 0
- 0.3689 1.5105 0.0000 H 0 0 0
- 3.8291 1.9540 0.0000 H 0 0 0
- 2.5721 1.6882 0.0000 H 0 0 0
- -0.7987 -0.7348 0.0000 H 0 0 0
- 0.4839 -0.6978 0.0000 H 0 0 0
- 4.1493 -0.1998 0.0000 H 0 0 0
- 5.4062 0.0660 0.0000 H 0 0 0
- 3.5054 -1.4203 0.0000 H 0 0 0
- -0.8449 1.4924 0.0000 H 0 0 0
- -2.1275 1.4554 0.0000 H 0 0 0
- 6.2233 2.5438 0.0000 H 0 0 0
- 4.9664 2.2779 0.0000 H 0 0 0
- -3.2951 -0.7899 0.0000 H 0 0 0
- -2.0125 -0.7529 0.0000 H 0 0 0
- 7.2217 0.3262 0.0000 H 0 0 0
- 7.6805 2.0337 0.0000 H 0 0 0
- -3.9600 1.6206 0.0000 H 0 0 0
- -5.6138 -0.9071 0.0000 H 0 0 0
- -4.3329 -0.8171 0.0000 H 0 0 0
- -5.7660 1.3244 0.0000 H 0 0 0
- -7.0469 1.2344 0.0000 H 0 0 0
- -8.1026 -1.0483 0.0000 H 0 0 0
- -6.8217 -0.9583 0.0000 H 0 0 0
- -8.9132 1.3373 0.0000 H 0 0 0
- -9.6010 -0.2916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 2 19 1 0
- 2 20 1 0
- 3 21 1 0
- 3 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-51-36-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.1950 -0.0944 0.0037 C 0 0 0
- -0.4104 -1.2494 0.0026 C 0 0 0
- -0.5812 1.1594 0.0027 C 0 0 0
- -2.6687 -0.1987 -0.0002 C 0 0 0
- 0.9661 -1.1452 0.0005 C 0 0 0
- 0.7967 1.2503 0.0006 C 0 0 0
- -3.4230 0.9174 0.0009 O 0 0 0
- -3.2002 -1.2910 -0.0044 O 0 0 0
- 1.5691 0.1014 -0.0005 C 0 0 0
- 1.9434 -2.5800 -0.0003 Cl 0 0 0
- 1.5620 2.8085 -0.0013 Cl 0 0 0
- -0.8615 -2.1849 0.0000 H 0 0 0
- -1.1596 2.0220 0.0000 H 0 0 0
- -4.0046 1.7779 0.0000 H 0 0 0
- 2.6051 0.1747 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 7 14 1 0
- 9 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-123-86-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- 0.7560 -0.5271 0.0000 O 0 0 0
- -0.3805 0.3767 0.0000 C 0 0 0
- 2.0048 -0.0351 0.0000 C 0 0 0
- -1.6775 -0.4349 0.0000 C 0 0 0
- 3.1843 -0.9731 0.0000 C 0 0 0
- 2.1833 1.1599 0.0000 O 0 0 0
- -2.8750 0.5174 0.0000 C 0 0 0
- -4.1720 -0.2941 0.0000 C 0 0 0
- 0.4185 1.1761 0.0000 H 0 0 0
- -1.0845 1.2609 0.0000 H 0 0 0
- -2.4765 -1.2343 0.0000 H 0 0 0
- -0.9735 -1.3191 0.0000 H 0 0 0
- 2.4808 -1.8577 0.0000 H 0 0 0
- 4.0689 -1.6766 0.0000 H 0 0 0
- 3.8878 -0.0885 0.0000 H 0 0 0
- -2.0760 1.3168 0.0000 H 0 0 0
- -3.5790 1.4016 0.0000 H 0 0 0
- -4.7715 0.6641 0.0000 H 0 0 0
- -5.1302 -0.8936 0.0000 H 0 0 0
- -3.5725 -1.2523 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 7 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-39834-38-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 41 1 V2000
- -0.1243 -1.1641 0.1549 C 0 0 0
- 0.8898 -2.2814 0.2483 C 0 0 0
- 0.3072 0.1684 0.0711 C 0 0 0
- -1.4476 -1.4748 0.1483 C 0 0 0
- 2.3786 -1.9065 0.2465 C 0 0 0
- 1.6836 -2.2962 -0.9398 O 0 0 0
- 1.7486 0.5223 0.0704 C 0 0 0
- -0.6223 1.1940 -0.0145 C 0 0 0
- -2.4119 -0.4559 0.0621 C 0 0 0
- -1.8819 -2.9153 0.2331 C 0 0 0
- 2.7438 -0.4444 0.1536 C 0 0 0
- 2.1098 1.8701 -0.0154 C 0 0 0
- -1.9921 0.8960 -0.0170 C 0 0 0
- -0.1609 2.6258 -0.1041 C 0 0 0
- -3.7852 -0.7520 0.0533 C 0 0 0
- 4.0742 -0.0749 0.1505 C 0 0 0
- 3.4405 2.2299 -0.0184 C 0 0 0
- -2.9594 1.9136 -0.1028 C 0 0 0
- -4.6927 0.2591 -0.0310 C 0 0 0
- 4.4238 1.2604 0.0659 C 0 0 0
- -4.2808 1.5887 -0.1029 C 0 0 0
- 0.4571 -3.2343 0.0000 H 0 0 0
- 3.2103 -2.5417 0.0000 H 0 0 0
- -2.8839 -2.6132 0.0000 H 0 0 0
- -2.1840 -3.9173 0.0000 H 0 0 0
- -0.8799 -3.2174 0.0000 H 0 0 0
- 1.3690 2.6093 0.0000 H 0 0 0
- 0.8352 2.3048 0.0000 H 0 0 0
- 0.1601 3.6219 0.0000 H 0 0 0
- -1.1570 2.9468 0.0000 H 0 0 0
- -4.1079 -1.7475 0.0000 H 0 0 0
- 4.8197 -0.8094 0.0000 H 0 0 0
- 3.7066 3.2420 0.0000 H 0 0 0
- -2.6653 2.9180 0.0000 H 0 0 0
- -5.7150 0.0353 0.0000 H 0 0 0
- 5.4329 1.5377 0.0000 H 0 0 0
- -4.9985 2.3503 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 2 0
- 13 18 1 0
- 15 19 2 0
- 16 20 2 0
- 18 21 2 0
- 5 6 1 0
- 7 11 2 0
- 9 13 2 0
- 17 20 1 0
- 19 21 1 0
- 2 22 1 0
- 5 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 20 36 1 0
- 21 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-91-17-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.0000 0.7121 0.2794 C 0 0 0
- 0.0000 -0.7122 -0.2794 C 0 0 0
- 1.2492 1.4503 -0.2058 C 0 0 0
- -1.2492 1.4503 -0.2058 C 0 0 0
- 1.2492 -1.4503 0.2058 C 0 0 0
- -1.2492 -1.4503 0.2058 C 0 0 0
- 2.4985 0.7121 0.2794 C 0 0 0
- -2.4985 0.7122 0.2794 C 0 0 0
- 2.4985 -0.7122 -0.2794 C 0 0 0
- -2.4985 -0.7121 -0.2794 C 0 0 0
- 0.9452 0.1728 0.0000 H 0 0 0
- -0.9452 -0.1728 0.0000 H 0 0 0
- 1.9515 2.2816 0.0000 H 0 0 0
- 0.5469 2.2816 0.0000 H 0 0 0
- -0.5468 2.2816 0.0000 H 0 0 0
- -1.9515 2.2816 0.0000 H 0 0 0
- 0.5469 -2.2816 0.0000 H 0 0 0
- 1.9515 -2.2816 0.0000 H 0 0 0
- -1.9515 -2.2816 0.0000 H 0 0 0
- -0.5469 -2.2816 0.0000 H 0 0 0
- 3.5696 0.5195 0.0000 H 0 0 0
- 2.8776 1.7322 0.0000 H 0 0 0
- -2.8775 1.7323 0.0000 H 0 0 0
- -3.5696 0.5196 0.0000 H 0 0 0
- 2.8775 -1.7323 0.0000 H 0 0 0
- 3.5696 -0.5196 0.0000 H 0 0 0
- -3.5696 -0.5195 0.0000 H 0 0 0
- -2.8776 -1.7322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 9 1 0
- 8 10 1 0
- 1 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 10 27 1 0
- 10 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-100-12-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 2.3317 0.0000 -0.0869 N 0 3 0
- 2.9382 -1.0549 -0.1410 O 0 5 0
- 2.9377 1.0547 -0.1475 O 0 0 0
- 0.8575 0.0001 0.0464 C 0 0 0
- 0.1693 1.1971 0.1078 C 0 0 0
- 0.1685 -1.1972 0.1038 C 0 0 0
- -1.2077 1.1972 0.2323 C 0 0 0
- -1.2080 -1.1971 0.2283 C 0 0 0
- -1.8960 0.0003 0.2955 C 0 0 0
- -3.3968 0.0004 0.4312 C 0 0 0
- -4.0347 -0.0006 -0.9595 C 0 0 0
- 0.6879 2.0934 0.0000 H 0 0 0
- 0.6869 -2.0936 0.0000 H 0 0 0
- -1.7262 2.0936 0.0000 H 0 0 0
- -1.7267 -2.0933 0.0000 H 0 0 0
- -2.8795 0.8974 0.0000 H 0 0 0
- -3.9155 0.8967 0.0000 H 0 0 0
- -4.0363 1.0349 0.0000 H 0 0 0
- -5.0702 -0.0022 0.0000 H 0 0 0
- -4.0331 -1.0361 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 9 1 0
- 11 10 1 0
- 8 9 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-83-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -0.0001 -1.8525 -0.0005 C 0 0 0
- -1.1978 -1.1613 0.0001 C 0 0 0
- 1.1980 -1.1610 -0.0006 C 0 0 0
- 0.0000 -3.3594 0.0053 C 0 0 0
- -1.1983 0.2230 0.0001 C 0 0 0
- -2.8352 -2.1072 0.0002 Br 0 0 0
- 1.1983 0.2228 0.0003 C 0 0 0
- 2.8354 -2.1068 -0.0015 Br 0 0 0
- -0.0002 0.9150 0.0000 C 0 0 0
- -2.8362 1.1680 -0.0003 Br 0 0 0
- 2.8362 1.1680 0.0014 Br 0 0 0
- -0.0002 2.8060 -0.0006 Br 0 0 0
- -1.0842 -3.3595 0.0000 H 0 0 0
- 0.0001 -4.4436 0.0000 H 0 0 0
- 1.0842 -3.3593 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 7 9 1 0
- 4 13 1 0
- 4 14 1 0
- 4 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-114899-77-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 97105 1 V2000
- 0.2127 -2.5149 0.0000 C 0 0 2
- 1.6107 -3.2671 0.0000 C 0 0 1
- 0.2355 -1.0409 0.0000 N 0 0 0
- -0.6762 -3.5938 0.0000 C 0 0 1
- 2.8036 -2.5149 0.0000 C 0 0 0
- -0.0228 2.3477 0.0000 S 0 0 0
- 1.5424 -0.2735 0.0000 C 0 0 2
- -0.7750 0.0532 0.0000 C 0 0 2
- -2.1730 -3.5938 0.0000 C 0 0 0
- -2.2414 -1.6943 0.0000 N 0 0 0
- 2.8036 -1.0181 0.0000 C 0 0 0
- 4.0952 -3.2367 0.0000 C 0 0 0
- -0.0228 3.8217 0.0000 C 0 0 0
- 1.5652 1.4360 0.0000 C 0 0 0
- -2.2414 0.0532 0.0000 C 0 0 1
- -1.1701 1.6715 0.0000 O 0 0 0
- -3.2291 -2.5149 0.0000 C 0 0 0
- -2.5757 -5.0374 0.0000 C 0 0 0
- -4.0421 -1.6943 0.0000 C 0 0 0
- 4.0952 -0.2963 0.0000 C 0 0 0
- 5.3793 -2.5149 0.0000 C 0 0 0
- 4.0952 -4.7563 0.0000 O 0 0 0
- 1.4512 4.5663 0.0000 C 0 0 1
- 2.8264 2.3477 0.0000 O 0 0 0
- -3.2291 -1.0181 0.0000 C 0 0 0
- -4.6727 -2.8644 0.0000 C 0 0 0
- -4.0193 -5.4173 0.0000 C 0 0 0
- -1.3828 -6.0251 0.0000 O 0 0 0
- 5.3793 -1.0181 0.0000 C 0 0 0
- 4.4219 1.1777 0.0000 O 0 0 0
- 6.6861 -3.2899 0.0000 C 0 0 0
- 5.4249 -5.5312 0.0000 C 0 0 0
- 0.1368 5.3413 0.0000 C 0 0 0
- 2.8264 3.7989 0.0000 C 0 0 0
- 2.8796 5.3413 0.0000 N 0 0 0
- -5.0754 -4.3612 0.0000 C 0 0 0
- -4.0193 -6.8381 0.0000 O 0 0 0
- 6.5038 -0.0152 0.0000 O 0 0 0
- 5.8959 1.2688 0.0000 C 0 0 0
- 6.7089 -4.7563 0.0000 C 0 0 0
- 5.4249 -7.0736 0.0000 O 0 0 0
- 0.1368 6.8381 0.0000 C 0 0 0
- -1.2612 4.4523 0.0000 C 0 0 0
- 4.4219 4.5663 0.0000 O 0 0 0
- 2.8796 6.8381 0.0000 C 0 0 0
- -6.7089 -4.6879 0.0000 C 0 0 0
- -2.6896 -7.9170 0.0000 C 0 0 0
- -1.2612 7.7270 0.0000 C 0 0 0
- 1.4512 7.6358 0.0000 C 0 0 0
- -2.6668 5.2729 0.0000 C 0 0 0
- -2.6668 6.9064 0.0000 C 0 0 0
- -4.0648 4.4523 0.0000 O 0 0 0
- -4.0648 7.7270 0.0000 O 0 0 0
- -5.4477 5.2501 0.0000 C 0 0 0
- -0.8555 -2.1222 0.0000 H 0 0 0
- 1.6499 -4.4045 0.0000 H 0 0 0
- -0.1906 -4.6231 0.0000 H 0 0 0
- 0.5585 0.2985 0.0000 H 0 0 0
- 0.2278 0.5914 0.0000 H 0 0 0
- -0.3720 4.9049 0.0000 H 0 0 0
- -1.1471 3.6450 0.0000 H 0 0 0
- 1.1086 2.4785 0.0000 H 0 0 0
- 0.4498 1.2102 0.0000 H 0 0 0
- -2.6982 1.0956 0.0000 H 0 0 0
- -1.4400 2.7771 0.0000 H 0 0 0
- -4.0421 -0.5562 0.0000 H 0 0 0
- -5.1802 -1.6943 0.0000 H 0 0 0
- -4.0421 -2.8324 0.0000 H 0 0 0
- -3.8246 -0.0482 0.0000 H 0 0 0
- -4.3243 -1.3275 0.0000 H 0 0 0
- -5.4672 -2.0495 0.0000 H 0 0 0
- -0.5062 -6.7509 0.0000 H 0 0 0
- 6.1056 -4.2688 0.0000 H 0 0 0
- 7.6650 -3.8704 0.0000 H 0 0 0
- 7.2666 -2.3110 0.0000 H 0 0 0
- 3.8576 4.7593 0.0000 H 0 0 0
- 6.9779 1.6218 0.0000 H 0 0 0
- 5.6826 2.3867 0.0000 H 0 0 0
- 7.2969 -5.7307 0.0000 H 0 0 0
- 7.6833 -4.1683 0.0000 H 0 0 0
- 6.1209 -3.7819 0.0000 H 0 0 0
- -1.2396 3.3144 0.0000 H 0 0 0
- 4.0013 6.6458 0.0000 H 0 0 0
- 3.2586 7.9112 0.0000 H 0 0 0
- -6.9321 -3.5719 0.0000 H 0 0 0
- -7.8249 -4.9111 0.0000 H 0 0 0
- -6.4857 -5.8039 0.0000 H 0 0 0
- -3.4067 -8.8008 0.0000 H 0 0 0
- -1.8058 -8.6341 0.0000 H 0 0 0
- -1.9725 -7.0332 0.0000 H 0 0 0
- -1.2396 8.8649 0.0000 H 0 0 0
- 2.1680 8.5198 0.0000 H 0 0 0
- 0.7029 8.4933 0.0000 H 0 0 0
- -5.0463 8.3031 0.0000 H 0 0 0
- -4.8790 6.2359 0.0000 H 0 0 0
- -6.4335 5.8188 0.0000 H 0 0 0
- -6.0164 4.2643 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 1
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 6
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 1
- 8 15 1 0
- 8 16 1 6
- 9 17 1 0
- 9 18 2 0
- 10 19 1 0
- 11 20 2 0
- 12 21 1 0
- 12 22 1 0
- 23 13 1 6
- 14 24 1 0
- 15 25 1 0
- 17 26 2 0
- 18 27 1 0
- 18 28 1 0
- 20 29 1 0
- 20 30 1 0
- 21 31 1 0
- 22 32 1 0
- 23 33 1 0
- 23 34 1 0
- 23 35 1 0
- 26 36 1 0
- 27 37 1 0
- 29 38 1 0
- 30 39 1 0
- 32 40 1 0
- 32 41 2 0
- 33 42 2 0
- 33 43 1 0
- 34 44 2 0
- 35 45 1 0
- 36 46 1 0
- 37 47 1 0
- 42 48 1 0
- 42 49 1 0
- 43 50 2 0
- 48 51 2 0
- 50 52 1 0
- 51 53 1 0
- 52 54 1 0
- 7 11 1 0
- 15 10 1 6
- 17 25 1 0
- 21 29 2 0
- 24 34 1 0
- 27 36 2 0
- 38 39 1 0
- 45 49 1 0
- 50 51 1 0
- 1 55 1 0
- 2 56 1 0
- 4 57 1 0
- 7 58 1 0
- 8 59 1 0
- 13 60 1 0
- 13 61 1 0
- 14 62 1 0
- 14 63 1 0
- 15 64 1 0
- 16 65 1 0
- 19 66 1 0
- 19 67 1 0
- 19 68 1 0
- 25 69 1 0
- 25 70 1 0
- 26 71 1 0
- 28 72 1 0
- 31 73 1 0
- 31 74 1 0
- 31 75 1 0
- 35 76 1 0
- 39 77 1 0
- 39 78 1 0
- 40 79 1 0
- 40 80 1 0
- 40 81 1 0
- 43 82 1 0
- 45 83 1 0
- 45 84 1 0
- 46 85 1 0
- 46 86 1 0
- 46 87 1 0
- 47 88 1 0
- 47 89 1 0
- 47 90 1 0
- 48 91 1 0
- 49 92 1 0
- 49 93 1 0
- 53 94 1 0
- 54 95 1 0
- 54 96 1 0
- 54 97 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-16311-38-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- -0.6688 0.4049 0.0505 C 0 0 0
- -1.4778 -0.6748 -0.0764 C 0 0 0
- 0.8146 0.3870 0.0470 C 0 0 0
- -1.4477 1.4995 0.1746 N 0 0 0
- -2.7920 -0.2243 -0.0220 N 0 0 0
- -1.0408 -2.0816 -0.2431 N 0 3 0
- 1.5247 1.3899 -0.6109 C 0 0 0
- 1.5033 -0.6291 0.7064 C 0 0 0
- -2.6956 1.1348 0.1290 C 0 0 0
- -4.0617 -0.7563 -0.0841 C 0 0 0
- -0.8622 -2.5357 -1.3591 O 0 0 0
- -0.8603 -2.7833 0.7360 O 0 5 0
- 2.9045 1.3685 -0.6105 C 0 0 0
- 2.8836 -0.6404 0.7004 C 0 0 0
- -4.3979 1.6445 0.1835 S 0 0 0
- -5.1351 0.0270 0.0091 C 0 0 0
- 3.5830 0.3543 0.0414 C 0 0 0
- 5.0633 0.3368 0.0384 N 0 3 0
- 5.6629 -0.5550 0.6116 O 0 0 0
- 5.6815 1.2142 -0.5372 O 0 5 0
- 1.0678 2.2903 0.0000 H 0 0 0
- 1.0266 -1.5192 0.0000 H 0 0 0
- -4.1794 -1.7591 0.0000 H 0 0 0
- 3.3871 2.2554 0.0000 H 0 0 0
- 3.3453 -1.5384 0.0000 H 0 0 0
- -6.1118 -0.2290 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 2 0
- 13 17 1 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 5 9 1 0
- 14 17 2 0
- 15 16 1 0
- 7 21 1 0
- 8 22 1 0
- 10 23 1 0
- 13 24 1 0
- 14 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-56-93-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -2.7365 -0.6858 0.2970 C 0 0 0
- -3.8065 0.3517 0.5199 C 0 0 0
- -1.7937 -0.9285 1.2786 C 0 0 0
- -2.7011 -1.3987 -0.8866 C 0 0 0
- -3.3834 1.6269 -0.0742 N 0 3 0
- -0.8123 -1.8801 1.0741 C 0 0 0
- -1.7194 -2.3506 -1.0912 C 0 0 0
- -3.3383 1.4947 -1.5365 C 0 0 0
- -4.3400 2.6795 0.2931 C 0 0 0
- -2.0488 1.9816 0.4269 C 0 0 0
- -0.7735 -2.5891 -0.1121 C 0 0 0
- 9.4917 0.4836 -0.0598 Cl 0 0 0
- -4.7048 0.8083 0.0000 H 0 0 0
- -4.3921 -0.4684 0.0000 H 0 0 0
- -1.3009 -0.0495 0.0000 H 0 0 0
- -3.6190 -1.8144 0.0000 H 0 0 0
- 0.1046 -1.4621 0.0000 H 0 0 0
- -2.2100 -3.2308 0.0000 H 0 0 0
- -4.2920 1.1693 0.0000 H 0 0 0
- -3.0129 0.5410 0.0000 H 0 0 0
- -2.3846 1.8201 0.0000 H 0 0 0
- -3.5943 3.3572 0.0000 H 0 0 0
- -5.0177 3.4252 0.0000 H 0 0 0
- -5.0857 2.0018 0.0000 H 0 0 0
- -1.7900 1.0077 0.0000 H 0 0 0
- -1.0749 2.2404 0.0000 H 0 0 0
- -2.3076 2.9555 0.0000 H 0 0 0
- -0.1327 -3.3667 0.0000 H 0 0 0
- 10.4994 0.4836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 11 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7239-21-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -1.2284 -0.4249 0.0052 C 0 0 0
- -0.3813 -1.5339 0.0055 C 0 0 0
- -0.6857 0.8605 0.0026 C 0 0 0
- -2.5896 -0.5979 0.0017 N 0 0 0
- 0.9862 -1.3538 0.0033 C 0 0 0
- 0.6838 1.0281 0.0004 C 0 0 0
- -3.3702 0.4291 0.0014 N 0 0 0
- 1.5189 -0.0757 0.0008 C 0 0 0
- -4.7601 0.2525 -0.0021 N 0 0 0
- 3.3948 0.1626 -0.0016 Br 0 0 0
- -5.3268 -1.0985 -0.0056 C 0 0 0
- -5.6467 1.4187 -0.0025 C 0 0 0
- -0.7813 -2.4966 0.0000 H 0 0 0
- -1.3137 1.6926 0.0000 H 0 0 0
- 1.6199 -2.1815 0.0000 H 0 0 0
- 1.0904 1.9880 0.0000 H 0 0 0
- -6.2881 -0.6953 0.0000 H 0 0 0
- -5.7300 -2.0598 0.0000 H 0 0 0
- -4.3655 -1.5017 0.0000 H 0 0 0
- -4.8168 2.0496 0.0000 H 0 0 0
- -6.2776 2.2486 0.0000 H 0 0 0
- -6.4766 0.7878 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 9 12 1 0
- 6 8 2 0
- 2 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 11 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 12 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5397-37-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 27 1 V2000
- -0.2762 0.1024 -0.0026 C 0 0 0
- -1.6819 -0.3730 -0.0014 C 0 0 0
- -0.2577 1.4947 0.0000 C 0 0 0
- 0.9308 -0.5985 -0.0005 C 0 0 0
- -2.5416 0.7217 0.0020 C 0 0 0
- -2.2156 -1.6632 -0.0034 C 0 0 0
- -1.6906 1.9680 0.0030 C 0 0 0
- 0.9420 2.1736 -0.0006 C 0 0 0
- 2.1268 0.0893 -0.0018 C 0 0 0
- -3.9076 0.5328 0.0033 C 0 0 0
- -3.5831 -1.8427 -0.0021 C 0 0 0
- 2.1350 1.4722 -0.0037 C 0 0 0
- 3.4058 -0.6557 0.0009 N 0 3 0
- -4.4296 -0.7485 0.0012 C 0 0 0
- 4.4629 -0.0508 -0.0002 O 0 0 0
- 3.4011 -1.8737 0.0043 O 0 5 0
- 0.9286 -1.6363 0.0000 H 0 0 0
- -1.5838 -2.4865 0.0000 H 0 0 0
- -1.2747 2.9188 0.0000 H 0 0 0
- -2.5985 2.4708 0.0000 H 0 0 0
- 0.9506 3.2114 0.0000 H 0 0 0
- -4.5444 1.3522 0.0000 H 0 0 0
- -3.9785 -2.8022 0.0000 H 0 0 0
- 3.0373 1.9849 0.0000 H 0 0 0
- -5.4578 -0.8890 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 13 16 1 0
- 5 7 1 0
- 9 12 2 0
- 11 14 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 14 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-772-43-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.9565 0.5407 -0.0110 C 0 0 0
- 0.0702 -0.2859 0.2713 O 0 0 0
- -0.4423 1.6956 -0.5182 C 0 0 0
- -2.3847 0.2444 0.1882 C 0 0 0
- 1.2268 0.3161 -0.0445 C 0 0 0
- 0.9562 1.5428 -0.5360 C 0 0 0
- -2.8978 -0.8503 -0.3004 N 0 0 0
- -3.1842 1.1293 0.8954 N 0 0 0
- 2.5768 -0.2691 0.1193 N 0 3 0
- -2.0640 -1.9604 -0.5783 O 0 0 0
- 3.5615 0.3715 -0.2026 O 0 0 0
- 2.7029 -1.3913 0.5759 O 0 5 0
- -0.9221 2.5306 0.0000 H 0 0 0
- 1.5993 2.2596 0.0000 H 0 0 0
- -2.8882 2.0457 0.0000 H 0 0 0
- -4.1258 0.9275 0.0000 H 0 0 0
- -1.4856 -2.7304 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 5 6 2 0
- 3 13 1 0
- 6 14 1 0
- 8 15 1 0
- 8 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-85-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 25 1 V2000
- 0.7640 -0.3890 -0.0013 C 0 0 0
- -0.7003 -0.4107 -0.0006 C 0 0 0
- 1.4233 0.8615 -0.0008 C 0 0 0
- 1.5144 -1.5663 0.0033 C 0 0 0
- -1.4025 0.8155 0.0006 C 0 0 0
- -1.4173 -1.6113 -0.0016 C 0 0 0
- 0.6655 2.0550 0.0009 C 0 0 0
- 2.8249 0.8955 -0.0015 C 0 0 0
- 2.8785 -1.4996 0.0029 C 0 0 0
- -0.6828 2.0332 0.0011 C 0 0 0
- -2.7372 0.8116 0.0009 N 0 0 0
- -2.7864 -1.5479 -0.0013 C 0 0 0
- 3.5303 -0.2720 -0.0026 C 0 0 0
- -3.4186 -0.3106 0.0000 C 0 0 0
- 1.0345 -2.4943 0.0000 H 0 0 0
- -0.9228 -2.5316 0.0000 H 0 0 0
- 1.1613 2.9746 0.0000 H 0 0 0
- 3.3272 1.8116 0.0000 H 0 0 0
- 3.4386 -2.3816 0.0000 H 0 0 0
- -1.2079 2.9364 0.0000 H 0 0 0
- -3.3523 -2.4262 0.0000 H 0 0 0
- 4.5747 -0.2431 0.0000 H 0 0 0
- -4.4627 -0.2723 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 11 14 2 0
- 7 10 1 0
- 9 13 1 0
- 12 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 13 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-31438-22-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 26 1 V2000
- 0.4013 1.0875 -0.0024 C 0 0 0
- -0.4843 -0.0001 -0.0012 C 0 0 0
- 1.7618 0.5192 -0.0015 C 0 0 0
- -0.0929 2.3899 0.0009 C 0 0 0
- 0.2583 -1.1673 0.0004 N 0 0 0
- -1.8555 0.2381 -0.0014 C 0 0 0
- 1.6106 -0.8753 0.0003 C 0 0 0
- 3.0356 1.0830 -0.0015 C 0 0 0
- -1.4540 2.6055 0.0053 C 0 0 0
- -2.3311 1.5315 -0.0022 C 0 0 0
- -2.8037 -0.8985 -0.0001 N 0 3 0
- 2.7438 -1.6832 0.0015 C 0 0 0
- 4.1456 0.2663 0.0001 C 0 0 0
- -4.0038 -0.6905 -0.0003 O 0 0 0
- -2.3839 -2.0419 0.0010 O 0 5 0
- 3.9981 -1.1124 0.0010 C 0 0 0
- 0.5631 3.1968 0.0000 H 0 0 0
- -0.1426 -2.1269 0.0000 H 0 0 0
- 3.1485 2.1168 0.0000 H 0 0 0
- -1.8247 3.5772 0.0000 H 0 0 0
- -3.3567 1.7036 0.0000 H 0 0 0
- 2.6440 -2.7184 0.0000 H 0 0 0
- 5.0973 0.6855 0.0000 H 0 0 0
- 4.8414 -1.7210 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 11 14 2 0
- 11 15 1 0
- 12 16 2 0
- 5 7 1 0
- 9 10 1 0
- 13 16 1 0
- 4 17 1 0
- 5 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 12 22 1 0
- 13 23 1 0
- 16 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-578-66-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.3880 0.9495 -0.0027 C 0 0 0
- -0.0220 -0.4186 -0.0015 C 0 0 0
- 0.6100 1.9378 -0.0015 C 0 0 0
- -1.7540 1.2896 0.0009 C 0 0 0
- 1.3484 -0.7620 0.0003 C 0 0 0
- -0.9681 -1.3608 -0.0017 N 0 0 0
- 1.9229 1.5771 0.0007 C 0 0 0
- -2.6705 0.2767 0.0054 C 0 0 0
- 2.2976 0.2365 0.0010 C 0 0 0
- 1.7372 -2.1009 0.0019 N 0 0 0
- -2.2416 -1.0485 -0.0029 C 0 0 0
- 0.3454 2.9480 0.0000 H 0 0 0
- -2.0583 2.2886 0.0000 H 0 0 0
- 2.6597 2.3172 0.0000 H 0 0 0
- -3.6916 0.4957 0.0000 H 0 0 0
- 3.3110 -0.0156 0.0000 H 0 0 0
- 1.0143 -2.8546 0.0000 H 0 0 0
- 2.7513 -2.3501 0.0000 H 0 0 0
- -2.9528 -1.8132 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 3 12 1 0
- 4 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-75-05-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 6 5 1 V2000
- 0.0464 0.0000 0.0000 C 0 0 0
- -1.4256 0.0000 0.0000 C 0 0 0
- 1.1824 0.0000 0.0000 N 0 0 0
- -1.4256 0.9780 0.0000 H 0 0 0
- -2.4036 0.0000 0.0000 H 0 0 0
- -1.4256 -0.9780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 3 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1064-48-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 58 1 V2000
- -0.4716 -1.8431 -0.0387 N 0 0 0
- -0.3478 -0.4662 -0.0932 C 0 0 0
- 0.9217 0.1397 -0.0003 C 0 0 0
- -1.4808 0.3408 -0.2470 C 0 0 0
- 1.0277 1.5520 -0.0582 C 0 0 0
- 2.0841 -0.6382 0.1485 C 0 0 0
- -2.7120 -0.2304 -0.3436 N 0 0 0
- -1.3514 1.7404 -0.3015 C 0 0 0
- 2.2936 2.1598 0.0342 C 0 0 0
- -0.1334 2.3326 -0.2085 C 0 0 0
- 2.0011 -1.9895 0.2052 O 0 0 0
- 3.3251 -0.0031 0.2367 C 0 0 0
- -3.6394 0.0903 0.4937 N 0 0 0
- -2.7902 2.7388 -0.4955 S 0 0 0
- 3.4093 1.4003 0.1781 C 0 0 0
- 4.4578 -0.7449 0.3809 N 0 0 0
- -4.8764 -0.4837 0.3966 C 0 0 0
- -2.3635 3.8989 -1.1964 O 0 0 0
- -3.8195 1.8548 -0.9179 O 0 0 0
- -3.2004 3.2197 0.8890 O 0 0 0
- 4.9843 2.1820 0.2912 S 0 0 0
- 4.6757 -1.7480 -0.4003 N 0 0 0
- -5.8834 -0.1387 1.3017 C 0 0 0
- -5.1416 -1.4141 -0.6121 C 0 0 0
- 4.7454 3.4461 0.8947 O 0 0 0
- 5.8733 1.1896 0.7853 O 0 0 0
- 5.4465 2.4818 -1.1276 O 0 0 0
- 5.8130 -2.4928 -0.2555 C 0 0 0
- -7.1290 -0.7220 1.1976 C 0 0 0
- -6.3916 -1.9890 -0.7038 C 0 0 0
- 6.0523 -3.5801 -1.0999 C 0 0 0
- 6.7446 -2.1669 0.7341 C 0 0 0
- -7.3825 -1.6466 0.1999 C 0 0 0
- 7.2019 -4.3270 -0.9478 C 0 0 0
- 7.8893 -2.9227 0.8743 C 0 0 0
- -8.7219 -2.2686 0.0950 N 0 3 0
- 8.1169 -4.0019 0.0379 C 0 0 0
- -8.9483 -3.0829 -0.7820 O 0 0 0
- -9.5975 -1.9661 0.8859 O 0 5 0
- -1.3941 -2.2705 0.0000 H 0 0 0
- 0.3598 -2.4282 0.0000 H 0 0 0
- 2.3698 3.1736 0.0000 H 0 0 0
- -0.0626 3.3468 0.0000 H 0 0 0
- 1.9388 -3.0043 0.0000 H 0 0 0
- -3.8602 3.9932 0.0000 H 0 0 0
- -5.9382 0.8765 0.0000 H 0 0 0
- -4.3697 -2.0758 0.0000 H 0 0 0
- 6.2995 3.0351 0.0000 H 0 0 0
- -7.9065 -0.0669 0.0000 H 0 0 0
- -6.3416 -3.0044 0.0000 H 0 0 0
- 5.2164 -4.1589 0.0000 H 0 0 0
- 6.8699 -1.1580 0.0000 H 0 0 0
- 7.0828 -5.3367 0.0000 H 0 0 0
- 8.7298 -2.3507 0.0000 H 0 0 0
- 9.0038 -4.4989 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 1 0
- 10 5 2 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 9 2 0
- 16 12 1 0
- 17 13 1 0
- 18 14 2 0
- 19 14 2 0
- 20 14 1 0
- 21 15 1 0
- 22 16 2 0
- 23 17 2 0
- 24 17 1 0
- 25 21 2 0
- 26 21 2 0
- 27 21 1 0
- 28 22 1 0
- 29 23 1 0
- 30 24 2 0
- 31 28 2 0
- 32 28 1 0
- 33 29 2 0
- 34 31 1 0
- 35 32 2 0
- 36 33 1 0
- 37 34 2 0
- 38 36 2 0
- 39 36 1 0
- 8 10 1 0
- 12 15 1 0
- 30 33 1 0
- 35 37 1 0
- 1 40 1 0
- 1 41 1 0
- 9 42 1 0
- 10 43 1 0
- 11 44 1 0
- 20 45 1 0
- 23 46 1 0
- 24 47 1 0
- 27 48 1 0
- 29 49 1 0
- 30 50 1 0
- 31 51 1 0
- 32 52 1 0
- 34 53 1 0
- 35 54 1 0
- 37 55 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-121-54-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 73 1 V2000
- 5.8911 -0.1796 -0.5618 C 0 0 0
- 6.3165 -0.7664 0.7857 C 0 0 0
- 6.8145 0.9849 -0.9253 C 0 0 0
- 5.9841 -1.2603 -1.6408 C 0 0 0
- 4.4709 0.3158 -0.4681 C 0 0 0
- 7.7583 -1.2693 0.6905 C 0 0 0
- 3.8664 0.8906 -1.5705 C 0 0 0
- 3.7726 0.1893 0.7189 C 0 0 0
- 7.8513 -2.3500 -0.3885 C 0 0 0
- 8.6817 -0.1048 0.3269 C 0 0 0
- 8.1838 -1.8560 2.0380 C 0 0 0
- 2.5643 1.3452 -1.4873 C 0 0 0
- 2.4708 0.6422 0.8072 C 0 0 0
- 1.8636 1.2243 -0.2963 C 0 0 0
- 0.5829 1.6710 -0.2118 O 0 0 0
- 0.1411 1.4088 1.1217 C 0 0 0
- -1.3019 1.8904 1.2848 C 0 0 0
- -2.1426 1.1980 0.3597 O 0 0 0
- -3.4696 1.6889 0.5601 C 0 0 0
- -4.4436 0.8983 -0.3158 C 0 0 0
- -5.8196 1.3206 -0.0221 N 0 3 0
- -6.7545 0.5637 -0.8653 C 0 0 0
- -6.1190 1.0644 1.3930 C 0 0 0
- -5.9612 2.7560 -0.3005 C 0 0 0
- -6.6834 -0.8983 -0.5069 C 0 0 0
- -7.5923 -1.4364 0.3845 C 0 0 0
- -5.7123 -1.7026 -1.0740 C 0 0 0
- -7.5270 -2.7777 0.7133 C 0 0 0
- -5.6470 -3.0435 -0.7453 C 0 0 0
- -6.5527 -3.5805 0.1507 C 0 0 0
- 5.4148 -1.0516 0.0000 H 0 0 0
- 6.3027 -1.7120 0.0000 H 0 0 0
- 7.5555 0.3973 0.0000 H 0 0 0
- 7.4021 1.7259 0.0000 H 0 0 0
- 6.0735 1.5725 0.0000 H 0 0 0
- 5.0419 -1.3414 0.0000 H 0 0 0
- 6.0652 -2.2025 0.0000 H 0 0 0
- 6.9263 -1.1792 0.0000 H 0 0 0
- 4.3591 1.6978 0.0000 H 0 0 0
- 3.6991 -0.7535 0.0000 H 0 0 0
- 6.9091 -2.4311 0.0000 H 0 0 0
- 7.9324 -3.2922 0.0000 H 0 0 0
- 8.7935 -2.2689 0.0000 H 0 0 0
- 9.4227 -0.6924 0.0000 H 0 0 0
- 9.2693 0.6362 0.0000 H 0 0 0
- 7.9407 0.4828 0.0000 H 0 0 0
- 7.4182 -2.4112 0.0000 H 0 0 0
- 8.7390 -2.6216 0.0000 H 0 0 0
- 8.9494 -1.3008 0.0000 H 0 0 0
- 2.6422 2.2877 0.0000 H 0 0 0
- 1.9769 -0.1642 0.0000 H 0 0 0
- -0.3611 0.6075 0.0000 H 0 0 0
- 0.8017 0.7321 0.0000 H 0 0 0
- -0.8413 2.7164 0.0000 H 0 0 0
- -2.0281 2.4962 0.0000 H 0 0 0
- -2.9895 2.5036 0.0000 H 0 0 0
- -4.1863 2.3059 0.0000 H 0 0 0
- -4.8927 0.0660 0.0000 H 0 0 0
- -3.7154 0.2949 0.0000 H 0 0 0
- -7.1827 1.4069 0.0000 H 0 0 0
- -7.6686 0.3213 0.0000 H 0 0 0
- -6.7339 1.7829 0.0000 H 0 0 0
- -6.8375 0.4495 0.0000 H 0 0 0
- -5.5041 0.3459 0.0000 H 0 0 0
- -5.0201 2.8488 0.0000 H 0 0 0
- -6.0540 3.6971 0.0000 H 0 0 0
- -6.9023 2.6632 0.0000 H 0 0 0
- -8.4250 -0.9882 0.0000 H 0 0 0
- -4.8665 -1.2795 0.0000 H 0 0 0
- -8.3722 -3.2019 0.0000 H 0 0 0
- -4.8141 -3.4915 0.0000 H 0 0 0
- -6.6254 -4.5234 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 5 2 0
- 8 5 1 0
- 9 6 1 0
- 10 6 1 0
- 11 6 1 0
- 12 7 1 0
- 13 8 2 0
- 14 12 2 0
- 15 14 1 0
- 16 15 1 0
- 17 16 1 0
- 18 17 1 0
- 19 18 1 0
- 20 19 1 0
- 21 20 1 0
- 22 21 1 0
- 23 21 1 0
- 24 21 1 0
- 25 22 1 0
- 26 25 2 0
- 27 25 1 0
- 28 26 1 0
- 29 27 2 0
- 30 28 2 0
- 13 14 1 0
- 29 30 1 0
- 2 31 1 0
- 2 32 1 0
- 3 33 1 0
- 3 34 1 0
- 3 35 1 0
- 4 36 1 0
- 4 37 1 0
- 4 38 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 9 42 1 0
- 9 43 1 0
- 10 44 1 0
- 10 45 1 0
- 10 46 1 0
- 11 47 1 0
- 11 48 1 0
- 11 49 1 0
- 12 50 1 0
- 13 51 1 0
- 16 52 1 0
- 16 53 1 0
- 17 54 1 0
- 17 55 1 0
- 19 56 1 0
- 19 57 1 0
- 20 58 1 0
- 20 59 1 0
- 22 60 1 0
- 22 61 1 0
- 23 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 24 66 1 0
- 24 67 1 0
- 26 68 1 0
- 27 69 1 0
- 28 70 1 0
- 29 71 1 0
- 30 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-122-19-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 78 1 V2000
- 8.4817 0.9399 0.4187 C 0 0 0
- 7.2295 1.5721 -0.0176 N 0 3 0
- 8.4092 -0.5443 0.1674 C 0 0 0
- 6.0915 0.7378 0.3908 C 0 0 0
- 7.1101 2.8995 0.6000 C 0 0 0
- 7.2348 1.7111 -1.4800 C 0 0 0
- 8.6702 -1.0452 -1.0940 C 0 0 0
- 8.0872 -1.4053 1.2001 C 0 0 0
- 4.7874 1.3962 -0.0636 C 0 0 0
- 8.6037 -2.4068 -1.3246 C 0 0 0
- 8.0207 -2.7665 0.9697 C 0 0 0
- 3.6021 0.5273 0.3618 C 0 0 0
- 8.2762 -3.2670 -0.2935 C 0 0 0
- 2.2980 1.1857 -0.0926 C 0 0 0
- 1.1127 0.3168 0.3328 C 0 0 0
- -0.1914 0.9752 -0.1216 C 0 0 0
- -1.3767 0.1063 0.3038 C 0 0 0
- -2.6808 0.7648 -0.1506 C 0 0 0
- -3.8661 -0.1042 0.2748 C 0 0 0
- -5.1703 0.5543 -0.1796 C 0 0 0
- -6.3555 -0.3147 0.2458 C 0 0 0
- -7.6597 0.3438 -0.2086 C 0 0 0
- -8.8449 -0.5252 0.2168 C 0 0 0
- -10.1491 0.1333 -0.2376 C 0 0 0
- -11.3343 -0.7357 0.1878 C 0 0 0
- -12.6385 -0.0772 -0.2666 C 0 0 0
- -13.8237 -0.9461 0.1588 C 0 0 0
- -15.1279 -0.2877 -0.2956 C 0 0 0
- 9.5580 0.7347 0.0000 H 0 0 0
- 8.8346 1.9772 0.0000 H 0 0 0
- 5.4509 -0.1512 0.0000 H 0 0 0
- 6.8695 -0.0338 0.0000 H 0 0 0
- 8.2014 2.9977 0.0000 H 0 0 0
- 7.0119 3.9908 0.0000 H 0 0 0
- 6.0188 2.8013 0.0000 H 0 0 0
- 8.3297 1.6694 0.0000 H 0 0 0
- 7.2765 2.8060 0.0000 H 0 0 0
- 6.1399 1.7528 0.0000 H 0 0 0
- 9.7405 -0.8106 0.0000 H 0 0 0
- 7.0141 -1.1840 0.0000 H 0 0 0
- 5.4280 2.2851 0.0000 H 0 0 0
- 4.0095 2.1678 0.0000 H 0 0 0
- 9.6762 -2.6312 0.0000 H 0 0 0
- 6.9494 -2.9966 0.0000 H 0 0 0
- 2.9615 -0.3616 0.0000 H 0 0 0
- 4.3800 -0.2443 0.0000 H 0 0 0
- 8.3355 -4.3611 0.0000 H 0 0 0
- 2.9386 2.0746 0.0000 H 0 0 0
- 1.5201 1.9573 0.0000 H 0 0 0
- 0.4721 -0.5721 0.0000 H 0 0 0
- 1.8906 -0.4548 0.0000 H 0 0 0
- 0.4492 1.8641 0.0000 H 0 0 0
- -0.9693 1.7468 0.0000 H 0 0 0
- -2.0173 -0.7826 0.0000 H 0 0 0
- -0.5988 -0.6653 0.0000 H 0 0 0
- -2.0402 1.6537 0.0000 H 0 0 0
- -3.4587 1.5364 0.0000 H 0 0 0
- -4.5067 -0.9931 0.0000 H 0 0 0
- -3.0881 -0.8758 0.0000 H 0 0 0
- -4.5297 1.4433 0.0000 H 0 0 0
- -5.9483 1.3259 0.0000 H 0 0 0
- -6.9961 -1.2037 0.0000 H 0 0 0
- -5.5775 -1.0863 0.0000 H 0 0 0
- -7.0191 1.2328 0.0000 H 0 0 0
- -8.4377 1.1154 0.0000 H 0 0 0
- -9.4855 -1.4142 0.0000 H 0 0 0
- -8.0669 -1.2968 0.0000 H 0 0 0
- -9.5085 1.0223 0.0000 H 0 0 0
- -10.9271 0.9049 0.0000 H 0 0 0
- -11.9749 -1.6247 0.0000 H 0 0 0
- -10.5563 -1.5073 0.0000 H 0 0 0
- -11.9979 0.8117 0.0000 H 0 0 0
- -13.4164 0.6944 0.0000 H 0 0 0
- -14.4643 -1.8351 0.0000 H 0 0 0
- -13.0457 -1.7177 0.0000 H 0 0 0
- -14.6341 0.6904 0.0000 H 0 0 0
- -16.1060 0.2061 0.0000 H 0 0 0
- -15.6217 -1.2658 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 10 7 1 0
- 11 8 2 0
- 12 9 1 0
- 13 10 2 0
- 14 12 1 0
- 15 14 1 0
- 16 15 1 0
- 17 16 1 0
- 18 17 1 0
- 19 18 1 0
- 20 19 1 0
- 21 20 1 0
- 22 21 1 0
- 23 22 1 0
- 24 23 1 0
- 25 24 1 0
- 26 25 1 0
- 27 26 1 0
- 28 27 1 0
- 11 13 1 0
- 1 29 1 0
- 1 30 1 0
- 4 31 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 5 35 1 0
- 6 36 1 0
- 6 37 1 0
- 6 38 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 9 42 1 0
- 10 43 1 0
- 11 44 1 0
- 12 45 1 0
- 12 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 17 54 1 0
- 17 55 1 0
- 18 56 1 0
- 18 57 1 0
- 19 58 1 0
- 19 59 1 0
- 20 60 1 0
- 20 61 1 0
- 21 62 1 0
- 21 63 1 0
- 22 64 1 0
- 22 65 1 0
- 23 66 1 0
- 23 67 1 0
- 24 68 1 0
- 24 69 1 0
- 25 70 1 0
- 25 71 1 0
- 26 72 1 0
- 26 73 1 0
- 27 74 1 0
- 27 75 1 0
- 28 76 1 0
- 28 77 1 0
- 28 78 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1239-45-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- -0.6309 0.3544 -0.0682 C 0 0 0
- -0.5185 -1.0536 -0.0195 C 0 0 0
- 0.4574 1.1415 -0.0957 N 0 3 0
- -1.9671 0.9704 -0.0954 C 0 0 0
- 0.7681 -1.6474 0.0008 C 0 0 0
- -1.6529 -1.8752 0.0097 C 0 0 0
- 1.7369 0.6287 -0.0787 C 0 0 0
- 0.2784 2.5946 -0.1459 C 0 0 0
- -2.7054 1.1020 1.0863 C 0 0 0
- -2.5038 1.4331 -1.3019 C 0 0 0
- 1.9424 -0.7638 -0.0306 C 0 0 0
- 0.8946 -3.0336 0.0496 C 0 0 0
- -1.4975 -3.2473 0.0576 C 0 0 0
- 2.8381 1.4769 -0.1087 C 0 0 0
- 0.2087 3.1494 1.2783 C 0 0 0
- -3.9559 1.6806 1.0523 C 0 0 0
- -3.7562 2.0095 -1.3188 C 0 0 0
- 3.2387 -1.2813 -0.0126 C 0 0 0
- -0.2234 -3.8187 0.0780 C 0 0 0
- -2.6253 -4.0705 0.0868 N 0 0 0
- 4.1171 0.9457 -0.0911 C 0 0 0
- -4.4820 2.1311 -0.1466 C 0 0 0
- 4.3099 -0.4354 -0.0421 C 0 0 0
- 5.2203 1.7974 -0.1218 N 0 0 0
- -2.6067 -1.4543 0.0000 H 0 0 0
- 1.2385 2.1884 0.0000 H 0 0 0
- 1.1097 3.2237 0.0000 H 0 0 0
- -3.0183 0.1076 0.0000 H 0 0 0
- -1.9400 2.3100 0.0000 H 0 0 0
- 1.8405 -3.4718 0.0000 H 0 0 0
- 2.7016 2.5104 0.0000 H 0 0 0
- 1.2431 3.2793 0.0000 H 0 0 0
- 0.0788 4.1838 0.0000 H 0 0 0
- -0.8257 3.0195 0.0000 H 0 0 0
- -4.5191 0.8033 0.0000 H 0 0 0
- -3.4495 3.0058 0.0000 H 0 0 0
- 3.3886 -2.3130 0.0000 H 0 0 0
- -0.1242 -4.8565 0.0000 H 0 0 0
- -3.5786 -3.6486 0.0000 H 0 0 0
- -2.5140 -5.1070 0.0000 H 0 0 0
- -5.4265 2.5724 0.0000 H 0 0 0
- 5.2773 -0.8239 0.0000 H 0 0 0
- 6.1846 1.4013 0.0000 H 0 0 0
- 5.0812 2.8306 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 10 17 1 0
- 11 18 1 0
- 12 19 2 0
- 13 20 1 0
- 14 21 2 0
- 16 22 1 0
- 18 23 2 0
- 21 24 1 0
- 7 11 2 0
- 13 19 1 0
- 17 22 2 0
- 21 23 1 0
- 6 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 12 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 22 41 1 0
- 23 42 1 0
- 24 43 1 0
- 24 44 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-124-64-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.1579 0.4368 -0.0635 P 0 0 0
- -1.5042 0.6251 -0.8995 C 0 0 0
- 1.8200 0.2485 0.7724 C 0 0 0
- -0.6958 -0.0843 1.5165 C 0 0 0
- 0.6488 -0.8494 -1.3291 C 0 0 0
- -2.1974 1.7402 -0.3356 O 0 0 0
- 2.8040 0.9902 0.0487 O 0 0 0
- -1.0744 -1.4590 1.4223 O 0 0 0
- -0.0397 -2.0718 -1.0576 O 0 0 0
- -2.4892 0.2842 0.0000 H 0 0 0
- -1.3896 -0.4109 0.0000 H 0 0 0
- 1.4300 -0.7182 0.0000 H 0 0 0
- 2.6472 -0.3858 0.0000 H 0 0 0
- -0.9796 0.9187 0.0000 H 0 0 0
- -1.7382 -0.0880 0.0000 H 0 0 0
- 1.4157 -1.5554 0.0000 H 0 0 0
- 1.5116 -0.2646 0.0000 H 0 0 0
- -2.7477 2.6255 0.0000 H 0 0 0
- 3.6364 1.6176 0.0000 H 0 0 0
- -1.3512 -2.4640 0.0000 H 0 0 0
- -0.5512 -2.9800 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 2 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-126-92-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- 1.1545 0.6758 -0.0337 C 0 0 0
- -0.1121 -0.1303 -0.3284 C 0 0 0
- 2.3492 0.0212 -0.7302 C 0 0 0
- 0.9818 2.1047 -0.5527 C 0 0 0
- -1.2279 0.4811 0.3221 O 0 0 0
- 3.3757 -0.4127 0.3182 C 0 0 0
- 1.1607 3.0920 0.6024 C 0 0 0
- -2.4485 -0.3653 -0.0097 S 0 0 0
- 4.6218 -0.9571 -0.3830 C 0 0 0
- -2.5709 -1.4305 1.0705 O 0 0 0
- -3.5700 0.4901 0.1628 O 0 0 0
- -2.1218 -1.0625 -1.2041 O 0 0 0
- 5.6483 -1.3910 0.6653 C 0 0 0
- 1.9720 1.2290 0.0000 H 0 0 0
- -0.7242 -0.9047 0.0000 H 0 0 0
- 0.5493 -0.8630 0.0000 H 0 0 0
- 1.5234 -0.5195 0.0000 H 0 0 0
- 2.4378 -0.9619 0.0000 H 0 0 0
- 0.1688 2.6645 0.0000 H 0 0 0
- 0.1372 1.5938 0.0000 H 0 0 0
- 4.1678 0.1762 0.0000 H 0 0 0
- 3.2578 0.5673 0.0000 H 0 0 0
- 2.1319 2.9160 0.0000 H 0 0 0
- 1.3367 4.0632 0.0000 H 0 0 0
- 0.1895 3.2680 0.0000 H 0 0 0
- 3.8297 -1.5460 0.0000 H 0 0 0
- 4.7397 -1.9371 0.0000 H 0 0 0
- -2.6836 -2.4111 0.0000 H 0 0 0
- 5.2640 -2.3002 0.0000 H 0 0 0
- 6.5575 -1.7753 0.0000 H 0 0 0
- 6.0326 -0.4818 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 8 10 1 0
- 8 11 2 0
- 8 12 2 0
- 9 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 13 29 1 0
- 13 30 1 0
- 13 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135-20-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- 0.2684 0.0757 -0.0013 C 0 0 0
- -1.1189 0.2325 -0.0003 N 0 0 0
- 1.0955 1.1922 -0.0001 C 0 0 0
- 0.8255 -1.1977 0.0024 C 0 0 0
- -1.8853 -0.8051 -0.0014 N 0 0 0
- -1.6846 1.5306 0.0019 O 0 0 0
- 2.4674 1.0332 -0.0005 C 0 0 0
- 2.1978 -1.3490 0.0020 C 0 0 0
- -3.0956 -0.6682 -0.0006 O 0 0 0
- 3.0181 -0.2352 -0.0022 C 0 0 0
- 0.6831 2.1440 0.0000 H 0 0 0
- 0.2110 -2.0333 0.0000 H 0 0 0
- -2.0990 2.4815 0.0000 H 0 0 0
- 3.0854 1.8663 0.0000 H 0 0 0
- 2.6142 -2.2990 0.0000 H 0 0 0
- 4.0488 -0.3517 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 7 10 2 0
- 8 10 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-135-49-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -1.1969 0.7865 -0.0044 C 0 0 0
- -1.1603 -0.6794 -0.0017 C 0 0 0
- 0.0001 1.5066 -0.0047 C 0 0 0
- -2.4440 1.4451 -0.0008 C 0 0 0
- 0.0001 -1.3301 0.0004 N 0 0 0
- -2.3806 -1.3822 -0.0010 C 0 0 0
- 1.1968 0.7867 -0.0024 C 0 0 0
- -3.5888 0.7182 0.0050 C 0 0 0
- 1.1602 -0.6794 0.0002 C 0 0 0
- -3.5655 -0.6836 -0.0029 C 0 0 0
- 2.4441 1.4452 -0.0020 C 0 0 0
- -4.9155 1.4330 0.0089 C 0 0 0
- 2.3805 -1.3823 0.0021 C 0 0 0
- -4.7691 -1.3846 -0.0026 N 0 0 0
- 3.5888 0.7182 0.0007 C 0 0 0
- 3.5654 -0.6837 0.0014 C 0 0 0
- 4.9155 1.4329 0.0006 C 0 0 0
- 4.7690 -1.3846 0.0032 N 0 0 0
- 0.0001 2.5562 0.0000 H 0 0 0
- -2.4859 2.4939 0.0000 H 0 0 0
- -2.3860 -2.4318 0.0000 H 0 0 0
- 2.4861 2.4939 0.0000 H 0 0 0
- -4.4177 2.3570 0.0000 H 0 0 0
- -5.8395 1.9308 0.0000 H 0 0 0
- -5.4133 0.5090 0.0000 H 0 0 0
- 2.3858 -2.4319 0.0000 H 0 0 0
- -5.6801 -0.8633 0.0000 H 0 0 0
- -4.7651 -2.4342 0.0000 H 0 0 0
- 5.4133 0.5089 0.0000 H 0 0 0
- 5.8395 1.9307 0.0000 H 0 0 0
- 4.4177 2.3569 0.0000 H 0 0 0
- 4.7651 -2.4342 0.0000 H 0 0 0
- 5.6799 -0.8632 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 2 0
- 13 16 2 0
- 15 17 1 0
- 16 18 1 0
- 7 9 1 0
- 8 10 1 0
- 15 16 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 11 22 1 0
- 12 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 17 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
- 18 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-137-09-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -0.6601 0.7939 0.0019 C 0 0 0
- -1.0898 -0.5312 0.0007 C 0 0 0
- 0.6967 1.0806 0.0016 C 0 0 0
- -1.5963 1.8342 -0.0024 N 0 0 0
- -0.1624 -1.5595 -0.0009 C 0 0 0
- -2.4210 -0.8152 0.0005 O 0 0 0
- 1.6226 0.0465 0.0001 C 0 0 0
- 1.1901 -1.2731 -0.0012 C 0 0 0
- 2.9920 0.3338 -0.0002 N 0 0 0
- 1.0204 2.0700 0.0000 H 0 0 0
- -1.2743 2.8242 0.0000 H 0 0 0
- -2.6146 1.6180 0.0000 H 0 0 0
- -0.4841 -2.5496 0.0000 H 0 0 0
- -3.4391 -1.0324 0.0000 H 0 0 0
- 1.8854 -2.0479 0.0000 H 0 0 0
- 3.6865 -0.4417 0.0000 H 0 0 0
- 3.3163 1.3230 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 7 8 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-146-56-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 59 1 V2000
- -2.1979 0.1332 -0.0210 C 0 0 0
- -1.7020 -0.9999 0.6235 N 0 0 0
- -2.9470 0.0393 -1.1879 C 0 0 0
- -1.9344 1.3818 0.5307 C 0 0 0
- -2.3109 -2.2512 0.5312 C 0 0 0
- -0.4876 -0.8700 1.4326 C 0 0 0
- -3.3175 -1.5135 -1.9233 S 0 0 0
- -3.4194 1.1991 -1.7941 C 0 0 0
- -2.4099 2.5283 -0.0780 C 0 0 0
- -3.0723 -2.6121 -0.5734 C 0 0 0
- -2.1446 -3.1514 1.5781 C 0 0 0
- 0.7388 -1.1401 0.5587 C 0 0 0
- -3.1485 2.4365 -1.2420 C 0 0 0
- -2.1222 3.8779 0.5276 C 0 0 0
- -3.6596 -3.8731 -0.6189 C 0 0 0
- -2.7323 -4.4010 1.5241 C 0 0 0
- 2.0070 -1.0045 1.4038 C 0 0 0
- -2.7025 4.8766 -0.2618 F 0 0 0
- -2.6582 3.9336 1.8186 F 0 0 0
- -0.7386 4.0765 0.5881 F 0 0 0
- -3.4893 -4.7612 0.4254 C 0 0 0
- 3.1846 -1.2639 0.5647 N 0 0 0
- 4.3605 -1.1184 1.4314 C 0 0 0
- 3.2461 -0.1793 -0.4228 C 0 0 0
- 5.6345 -1.2546 0.5967 C 0 0 0
- 4.5201 -0.3155 -1.2575 C 0 0 0
- 5.6960 -0.1700 -0.3907 N 0 0 0
- 6.8736 -0.4294 -1.2298 C 0 0 0
- 7.7420 0.8287 -1.2926 C 0 0 0
- 8.3204 1.0728 -0.0089 O 0 0 0
- -1.0223 1.4665 0.0000 H 0 0 0
- 0.0540 -0.1313 0.0000 H 0 0 0
- -0.9446 -0.0762 0.0000 H 0 0 0
- -4.3320 1.1208 0.0000 H 0 0 0
- -1.2362 -3.2688 0.0000 H 0 0 0
- 0.1972 -1.8788 0.0000 H 0 0 0
- 1.1958 -1.9339 0.0000 H 0 0 0
- -3.7658 3.1133 0.0000 H 0 0 0
- -4.5687 -3.7605 0.0000 H 0 0 0
- -2.0831 -5.0472 0.0000 H 0 0 0
- 2.5486 -0.2658 0.0000 H 0 0 0
- 1.5500 -0.2106 0.0000 H 0 0 0
- -3.9030 -5.5784 0.0000 H 0 0 0
- 4.8421 -0.3392 0.0000 H 0 0 0
- 3.8661 -0.3473 0.0000 H 0 0 0
- 3.3283 0.7330 0.0000 H 0 0 0
- 2.3326 -0.1123 0.0000 H 0 0 0
- 5.5523 -2.1669 0.0000 H 0 0 0
- 6.5480 -1.3216 0.0000 H 0 0 0
- 4.0385 -1.0947 0.0000 H 0 0 0
- 5.0145 -1.0866 0.0000 H 0 0 0
- 6.5630 -1.2911 0.0000 H 0 0 0
- 7.6882 -0.8484 0.0000 H 0 0 0
- 7.6826 1.7428 0.0000 H 0 0 0
- 6.8591 1.0727 0.0000 H 0 0 0
- 9.1643 1.4290 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 2 0
- 17 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 7 10 1 0
- 9 13 2 0
- 16 21 1 0
- 26 27 1 0
- 4 31 1 0
- 6 32 1 0
- 6 33 1 0
- 8 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 15 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 21 43 1 0
- 23 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 25 48 1 0
- 25 49 1 0
- 26 50 1 0
- 26 51 1 0
- 28 52 1 0
- 28 53 1 0
- 29 54 1 0
- 29 55 1 0
- 30 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15826-37-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 53 1 V2000
- -4.7822 0.2259 0.1887 C 0 0 0
- -5.8963 1.0738 0.2980 C 0 0 0
- -3.4843 0.7459 0.1381 C 0 0 0
- -5.0231 -1.2290 0.1083 C 0 0 0
- -7.1487 0.6146 0.4086 O 0 0 0
- -5.6775 2.4532 0.3062 C 0 0 0
- -2.4153 -0.0870 0.0709 O 0 0 0
- -3.3006 2.1180 0.1568 C 0 0 0
- -6.4292 -1.5898 -0.1718 C 0 0 0
- -4.1422 -2.0574 0.2587 O 0 0 0
- -7.3558 -0.6201 -0.0158 C 0 0 0
- -4.3989 2.9590 0.2341 C 0 0 0
- -1.2498 0.7390 0.0327 C 0 0 0
- -8.7521 -0.9777 -0.3562 C 0 0 0
- -0.0019 -0.1429 -0.0439 C 0 0 0
- -9.0418 -2.2176 -0.7957 O 0 0 0
- -9.6357 -0.1533 -0.2392 O 0 0 0
- 1.2459 0.7415 -0.0848 C 0 0 0
- 0.0530 -0.9913 1.1047 O 0 0 0
- 2.4114 -0.0823 -0.1563 O 0 0 0
- 3.4803 0.7528 -0.1898 C 0 0 0
- 4.7782 0.2354 -0.2614 C 0 0 0
- 3.2962 2.1247 -0.1592 C 0 0 0
- 5.8923 1.0871 -0.3371 C 0 0 0
- 5.0194 -1.2216 -0.2388 C 0 0 0
- 4.3944 2.9681 -0.2033 C 0 0 0
- 7.1447 0.6328 -0.4661 O 0 0 0
- 5.6734 2.4657 -0.2904 C 0 0 0
- 6.4256 -1.5930 0.0267 C 0 0 0
- 4.1387 -2.0435 -0.4221 O 0 0 0
- 7.3521 -0.6178 -0.0909 C 0 0 0
- 8.7484 -0.9884 0.2350 C 0 0 0
- 9.0383 -2.2447 0.6251 O 0 0 0
- 9.6319 -0.1599 0.1506 O 0 0 0
- -6.4875 3.1025 0.0000 H 0 0 0
- -2.3412 2.5147 0.0000 H 0 0 0
- -6.7146 -2.5880 0.0000 H 0 0 0
- -4.2557 3.9872 0.0000 H 0 0 0
- -0.5589 1.5138 0.0000 H 0 0 0
- -1.9418 1.5129 0.0000 H 0 0 0
- -0.9079 -0.6498 0.0000 H 0 0 0
- -9.2780 -3.2285 0.0000 H 0 0 0
- 1.9369 1.5163 0.0000 H 0 0 0
- 0.5539 1.5154 0.0000 H 0 0 0
- 0.1200 -2.0273 0.0000 H 0 0 0
- 2.3365 2.5206 0.0000 H 0 0 0
- 4.2492 3.9960 0.0000 H 0 0 0
- 6.4826 3.1160 0.0000 H 0 0 0
- 6.7089 -2.5917 0.0000 H 0 0 0
- 9.2717 -3.2563 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 14 17 2 0
- 15 18 1 0
- 15 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 2 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 24 28 1 0
- 25 29 1 0
- 25 30 2 0
- 27 31 1 0
- 31 32 1 0
- 32 33 1 0
- 32 34 2 0
- 8 12 1 0
- 9 11 2 0
- 26 28 2 0
- 29 31 2 0
- 6 35 1 0
- 8 36 1 0
- 9 37 1 0
- 12 38 1 0
- 13 39 1 0
- 13 40 1 0
- 15 41 1 0
- 16 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 23 46 1 0
- 26 47 1 0
- 28 48 1 0
- 29 49 1 0
- 33 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1684-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- -1.1851 0.8892 -0.0160 C 0 0 0
- -1.2237 -0.5255 0.0114 C 0 0 0
- -0.0091 1.5189 -0.0309 N 0 0 0
- -2.3951 1.6037 -0.0329 C 0 0 0
- -0.0019 -1.2350 0.0258 C 0 0 0
- -2.4584 -1.1874 0.0241 C 0 0 0
- 1.1445 0.8730 -0.0199 C 0 0 0
- -3.5782 0.9298 -0.0238 C 0 0 0
- 1.1857 -0.5101 0.0113 C 0 0 0
- 0.0133 -2.6211 0.0533 N 0 0 0
- -3.6119 -0.4616 0.0114 C 0 0 0
- 2.3986 1.7117 -0.0476 C 0 0 0
- 2.4754 -1.2870 0.0348 C 0 0 0
- 3.6039 0.8913 0.4054 C 0 0 0
- 3.6414 -0.4063 -0.4099 C 0 0 0
- -2.3869 2.6475 0.0000 H 0 0 0
- -2.4947 -2.2306 0.0000 H 0 0 0
- -4.4743 1.4652 0.0000 H 0 0 0
- -0.8849 -3.1529 0.0000 H 0 0 0
- 0.9230 -3.1331 0.0000 H 0 0 0
- -4.5317 -0.9551 0.0000 H 0 0 0
- 3.0912 2.4927 0.0000 H 0 0 0
- 1.7124 2.4983 0.0000 H 0 0 0
- 1.8277 -2.1056 0.0000 H 0 0 0
- 3.2052 -2.0334 0.0000 H 0 0 0
- 4.6309 0.7045 0.0000 H 0 0 0
- 3.9996 1.8573 0.0000 H 0 0 0
- 4.0869 -1.3503 0.0000 H 0 0 0
- 4.6566 -0.1634 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 1 0
- 13 15 1 0
- 7 9 1 0
- 8 11 2 0
- 14 15 1 0
- 4 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 15 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1934-20-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- -2.0816 0.2463 -0.3915 N 0 0 0
- -3.1070 0.3535 0.3838 N 0 0 0
- -1.0274 1.0909 -0.2443 C 0 0 0
- -4.1673 -0.4959 0.2357 C 0 0 0
- 0.3398 0.5756 -0.1783 C 0 0 0
- -1.2249 2.4718 -0.1583 C 0 0 0
- -5.2800 -0.3829 1.0738 C 0 0 0
- -4.1467 -1.4785 -0.7585 C 0 0 0
- 1.4096 1.4905 -0.0243 C 0 0 0
- 0.6083 -0.7951 -0.2643 C 0 0 0
- -2.4817 2.9785 -0.2222 O 0 0 0
- -0.1381 3.3315 -0.0068 C 0 0 0
- -6.3463 -1.2438 0.9183 C 0 0 0
- -5.2201 -2.3319 -0.9018 C 0 0 0
- 2.7255 1.0021 0.0398 C 0 0 0
- 1.1378 2.8678 0.0610 C 0 0 0
- 1.8975 -1.2350 -0.1989 C 0 0 0
- -6.3162 -2.2176 -0.0643 C 0 0 0
- 2.9517 -0.3382 -0.0467 C 0 0 0
- 4.6035 -0.9465 0.0341 S 0 0 0
- 4.6159 -2.1347 -0.7450 O 0 0 0
- 5.4412 0.1823 -0.1740 O 0 0 0
- 4.8555 -1.3896 1.4682 O 0 0 0
- -5.5712 0.5964 0.0000 H 0 0 0
- -3.2220 -1.9128 0.0000 H 0 0 0
- -0.1613 -1.4670 0.0000 H 0 0 0
- -3.4292 3.3605 0.0000 H 0 0 0
- -0.3012 4.3400 0.0000 H 0 0 0
- -7.2748 -0.8176 0.0000 H 0 0 0
- -4.9339 -3.3126 0.0000 H 0 0 0
- 3.5126 1.6534 0.0000 H 0 0 0
- 1.9136 3.5326 0.0000 H 0 0 0
- 2.0885 -2.2386 0.0000 H 0 0 0
- -7.0645 -2.9132 0.0000 H 0 0 0
- 5.3606 -2.2777 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 1 0
- 16 9 2 0
- 17 10 2 0
- 18 13 2 0
- 19 15 2 0
- 20 19 1 0
- 21 20 2 0
- 22 20 2 0
- 23 20 1 0
- 12 16 1 0
- 14 18 1 0
- 17 19 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1936-15-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 0.4915 -1.6085 0.0220 S 0 0 0
- 1.1785 -1.3904 1.2467 O 0 0 0
- 1.0796 -1.5613 -1.2707 O 0 0 0
- -0.1363 -2.9899 0.1405 O 0 0 0
- -0.8215 -0.4338 -0.0061 C 0 0 0
- -0.5394 0.9364 -0.0133 C 0 0 0
- -2.1186 -0.8554 -0.0266 C 0 0 0
- 0.8368 1.4324 0.0025 C 0 0 0
- -1.6034 1.8704 -0.0359 C 0 0 0
- -3.1670 0.0600 -0.0489 C 0 0 0
- 1.8860 0.5692 0.0239 N 0 0 0
- 1.0483 2.8135 -0.0054 C 0 0 0
- -2.9273 1.4011 -0.0511 C 0 0 0
- -1.3176 3.2480 -0.0432 C 0 0 0
- -4.8290 -0.5246 -0.0749 S 0 0 0
- 3.0884 1.0185 0.1520 N 0 0 0
- 2.3139 3.3019 0.0089 O 0 0 0
- -0.0337 3.6928 -0.0283 C 0 0 0
- -5.5741 0.4615 -0.7761 O 0 0 0
- -4.7493 -1.8992 -0.4258 O 0 0 0
- -5.3451 -0.4925 1.3566 O 0 0 0
- 4.1506 0.1636 0.0606 C 0 0 0
- 5.4565 0.6602 0.0940 C 0 0 0
- 3.9364 -1.2124 -0.0610 C 0 0 0
- 6.5236 -0.2087 0.0017 C 0 0 0
- 5.0132 -2.0688 -0.1523 C 0 0 0
- 6.3037 -1.5691 -0.1238 C 0 0 0
- -0.5639 -3.9308 0.0000 H 0 0 0
- -2.3257 -1.8680 0.0000 H 0 0 0
- -3.7155 2.0697 0.0000 H 0 0 0
- -2.0940 3.9302 0.0000 H 0 0 0
- 3.2781 3.6740 0.0000 H 0 0 0
- 0.1457 4.7107 0.0000 H 0 0 0
- -6.3767 -0.4283 0.0000 H 0 0 0
- 5.6212 1.6805 0.0000 H 0 0 0
- 2.9736 -1.5883 0.0000 H 0 0 0
- 7.4896 0.1589 0.0000 H 0 0 0
- 4.8575 -3.0905 0.0000 H 0 0 0
- 7.1068 -2.2196 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 1 0
- 12 8 2 0
- 13 9 2 0
- 14 9 1 0
- 15 10 1 0
- 16 11 2 0
- 17 12 1 0
- 18 12 1 0
- 19 15 2 0
- 20 15 2 0
- 21 15 1 0
- 22 16 1 0
- 23 22 2 0
- 24 22 1 0
- 25 23 1 0
- 26 24 2 0
- 27 25 2 0
- 10 13 1 0
- 14 18 2 0
- 26 27 1 0
- 4 28 1 0
- 7 29 1 0
- 13 30 1 0
- 14 31 1 0
- 17 32 1 0
- 18 33 1 0
- 21 34 1 0
- 23 35 1 0
- 24 36 1 0
- 25 37 1 0
- 26 38 1 0
- 27 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1937-37-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 84 1 V2000
- 2.4288 -1.2601 -0.7157 N 0 0 0
- 2.8831 0.0186 -0.4454 C 0 0 0
- 4.2613 0.2662 -0.2840 C 0 0 0
- 1.9797 1.0822 -0.3348 C 0 0 0
- 4.7070 1.5831 -0.0075 C 0 0 0
- 5.2000 -0.7757 -0.3932 C 0 0 0
- 0.6473 0.8591 -0.4938 N 0 0 0
- 2.4451 2.3808 -0.0594 C 0 0 0
- 3.7700 2.6272 0.1032 C 0 0 0
- 6.0823 1.8334 0.1542 C 0 0 0
- 4.7915 -2.0404 -0.6576 O 0 0 0
- 6.5578 -0.4929 -0.2267 C 0 0 0
- -0.1768 1.1791 0.4457 N 0 0 0
- 1.2920 3.7062 0.0759 S 0 0 0
- 6.9801 0.8211 0.0464 C 0 0 0
- 7.4763 -1.4929 -0.3296 N 0 0 0
- -1.5140 0.9553 0.2862 C 0 0 0
- 1.9888 4.8691 -0.3499 O 0 0 0
- 0.0796 3.2221 -0.4855 O 0 0 0
- 1.0083 3.9131 1.5569 O 0 0 0
- 8.6975 1.1570 0.2525 S 0 0 0
- 7.3042 -2.5958 0.3169 N 0 0 0
- -2.4084 1.3020 1.3046 C 0 0 0
- -1.9920 0.3842 -0.8983 C 0 0 0
- 8.7711 2.2523 1.1548 O 0 0 0
- 9.3182 -0.1073 0.4413 O 0 0 0
- 9.2215 1.6805 -1.0771 O 0 0 0
- 8.2264 -3.5998 0.2136 C 0 0 0
- -3.7558 1.0751 1.1394 C 0 0 0
- -3.3295 0.1601 -1.0593 C 0 0 0
- 8.0432 -4.7958 0.9124 C 0 0 0
- 9.3540 -3.4369 -0.5959 C 0 0 0
- -4.2250 0.4998 -0.0432 C 0 0 0
- 8.9777 -5.8045 0.8030 C 0 0 0
- 10.2797 -4.4541 -0.6955 C 0 0 0
- -5.6745 0.2546 -0.2222 C 0 0 0
- 10.0943 -5.6341 0.0037 C 0 0 0
- -6.2738 0.4890 -1.4614 C 0 0 0
- -6.4394 -0.2164 0.8468 C 0 0 0
- -7.6209 0.2601 -1.6263 C 0 0 0
- -7.7763 -0.4444 0.6860 C 0 0 0
- -8.3845 -0.2067 -0.5512 C 0 0 0
- -9.7214 -0.4345 -0.7104 N 0 0 0
- -10.4250 -0.8650 0.2814 N 0 0 0
- -11.7573 -1.0921 0.1227 C 0 0 0
- -12.5276 -1.5616 1.2026 C 0 0 0
- -12.3685 -0.8541 -1.1139 C 0 0 0
- -11.9317 -1.7964 2.4373 N 0 0 0
- -13.8833 -1.7890 1.0285 C 0 0 0
- -13.7052 -1.0823 -1.2723 C 0 0 0
- -14.4716 -1.5529 -0.2073 C 0 0 0
- -15.8338 -1.7821 -0.3817 N 0 0 0
- 1.4308 -1.4440 0.0000 H 0 0 0
- 3.0871 -2.0324 0.0000 H 0 0 0
- 4.0967 3.5880 0.0000 H 0 0 0
- 6.4137 2.7926 0.0000 H 0 0 0
- 4.4796 -3.0061 0.0000 H 0 0 0
- 0.1884 4.5111 0.0000 H 0 0 0
- -2.3056 2.3116 0.0000 H 0 0 0
- -1.4878 -0.4965 0.0000 H 0 0 0
- 9.9394 2.3977 0.0000 H 0 0 0
- -4.2660 1.9524 0.0000 H 0 0 0
- -3.4291 -0.8498 0.0000 H 0 0 0
- 7.0730 -5.0934 0.0000 H 0 0 0
- 9.6967 -2.4817 0.0000 H 0 0 0
- 8.6430 -6.7625 0.0000 H 0 0 0
- 11.2518 -4.1627 0.0000 H 0 0 0
- 10.8103 -6.3533 0.0000 H 0 0 0
- -6.1702 1.4985 0.0000 H 0 0 0
- -6.0815 -1.1660 0.0000 H 0 0 0
- -7.9770 1.2104 0.0000 H 0 0 0
- -7.8795 -1.4539 0.0000 H 0 0 0
- -12.2661 0.1555 0.0000 H 0 0 0
- -11.7818 -2.8001 0.0000 H 0 0 0
- -11.1374 -1.1647 0.0000 H 0 0 0
- -13.9924 -2.7979 0.0000 H 0 0 0
- -14.0626 -0.1325 0.0000 H 0 0 0
- -16.4800 -0.9996 0.0000 H 0 0 0
- -16.1883 -2.7330 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 12 1 0
- 17 13 1 0
- 18 14 2 0
- 19 14 2 0
- 20 14 1 0
- 21 15 1 0
- 22 16 2 0
- 23 17 2 0
- 24 17 1 0
- 25 21 2 0
- 26 21 2 0
- 27 21 1 0
- 28 22 1 0
- 29 23 1 0
- 30 24 2 0
- 31 28 2 0
- 32 28 1 0
- 33 29 2 0
- 34 31 1 0
- 35 32 2 0
- 36 33 1 0
- 37 34 2 0
- 38 36 2 0
- 39 36 1 0
- 40 38 1 0
- 41 39 2 0
- 42 40 2 0
- 43 42 1 0
- 44 43 2 0
- 45 44 1 0
- 46 45 2 0
- 47 45 1 0
- 48 46 1 0
- 49 46 1 0
- 50 47 2 0
- 51 49 2 0
- 52 51 1 0
- 8 9 1 0
- 12 15 1 0
- 30 33 1 0
- 35 37 1 0
- 41 42 1 0
- 50 51 1 0
- 1 53 1 0
- 1 54 1 0
- 9 55 1 0
- 10 56 1 0
- 11 57 1 0
- 20 58 1 0
- 23 59 1 0
- 24 60 1 0
- 27 61 1 0
- 29 62 1 0
- 30 63 1 0
- 31 64 1 0
- 32 65 1 0
- 34 66 1 0
- 35 67 1 0
- 37 68 1 0
- 38 69 1 0
- 39 70 1 0
- 40 71 1 0
- 41 72 1 0
- 47 73 1 0
- 48 74 1 0
- 48 75 1 0
- 49 76 1 0
- 50 77 1 0
- 52 78 1 0
- 52 79 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2045-52-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 0.3377 0.1883 -0.4044 N 0 0 0
- 0.4011 -1.1823 -0.1434 C 0 0 0
- -0.6534 0.7089 -1.3494 C 0 0 0
- 1.2581 1.1061 0.2715 C 0 0 0
- 1.1081 -2.0213 -0.9958 C 0 0 0
- -0.2375 -1.7088 0.9719 C 0 0 0
- -1.9732 0.8894 -0.6447 C 0 0 0
- 2.6060 1.1013 -0.4524 C 0 0 0
- 1.1692 -3.3759 -0.7346 C 0 0 0
- -0.1723 -3.0647 1.2273 C 0 0 0
- -2.2637 2.0866 -0.0171 C 0 0 0
- -2.8954 -0.1399 -0.6305 C 0 0 0
- 3.5290 2.0216 0.2253 N 0 0 0
- 0.5277 -3.8976 0.3741 C 0 0 0
- -3.4741 2.2520 0.6293 C 0 0 0
- -4.1062 0.0256 0.0160 C 0 0 0
- 3.7928 1.4525 1.5537 C 0 0 0
- 4.7965 1.9697 -0.5154 C 0 0 0
- -4.3943 1.2204 0.6484 C 0 0 0
- 0.0760 1.2981 0.0000 H 0 0 0
- -0.9051 1.6122 0.0000 H 0 0 0
- 1.5034 2.0111 0.0000 H 0 0 0
- 0.4470 1.5767 0.0000 H 0 0 0
- 1.9814 -1.6799 0.0000 H 0 0 0
- -1.0950 -1.3293 0.0000 H 0 0 0
- 2.3607 0.1963 0.0000 H 0 0 0
- 3.4170 0.6307 0.0000 H 0 0 0
- 2.0248 -3.7595 0.0000 H 0 0 0
- -1.0453 -3.4068 0.0000 H 0 0 0
- -1.6354 2.7827 0.0000 H 0 0 0
- -2.5719 -1.0200 0.0000 H 0 0 0
- 0.4392 -4.8311 0.0000 H 0 0 0
- -3.7985 3.1318 0.0000 H 0 0 0
- -4.7350 -0.6700 0.0000 H 0 0 0
- 2.9421 1.0582 0.0000 H 0 0 0
- 4.1871 0.6018 0.0000 H 0 0 0
- 4.6435 1.8468 0.0000 H 0 0 0
- 4.7581 1.0328 0.0000 H 0 0 0
- 5.7334 1.9313 0.0000 H 0 0 0
- 4.8349 2.9066 0.0000 H 0 0 0
- -5.3038 1.4486 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 15 19 1 0
- 10 14 2 0
- 16 19 2 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
- 17 37 1 0
- 18 38 1 0
- 18 39 1 0
- 18 40 1 0
- 19 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2216-51-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -0.6689 0.1080 0.4353 C 0 0 0
- 0.0693 -1.0700 -0.2037 C 0 0 0
- -0.0873 1.4211 -0.0924 C 0 0 0
- -2.1556 0.0304 0.0820 C 0 0 0
- 1.5559 -0.9924 0.1496 C 0 0 0
- -0.4740 -2.2964 0.2892 O 0 0 0
- 1.3994 1.4987 0.2609 C 0 0 0
- -2.9124 1.1404 0.8141 C 0 0 0
- -2.3307 0.2040 -1.4280 C 0 0 0
- 2.1376 0.3207 -0.3781 C 0 0 0
- 3.6242 0.3984 -0.0248 C 0 0 0
- 0.4055 0.1849 0.0000 H 0 0 0
- -1.0051 -1.1468 0.0000 H 0 0 0
- 0.0248 2.4924 0.0000 H 0 0 0
- -1.1280 1.6986 0.0000 H 0 0 0
- -2.5395 -0.9759 0.0000 H 0 0 0
- 1.4438 -2.0637 0.0000 H 0 0 0
- 2.5966 -1.2700 0.0000 H 0 0 0
- -0.9103 -3.2812 0.0000 H 0 0 0
- 2.3954 1.9088 0.0000 H 0 0 0
- 1.1629 2.5495 0.0000 H 0 0 0
- -2.0225 1.7472 0.0000 H 0 0 0
- -3.5192 2.0303 0.0000 H 0 0 0
- -3.8023 0.5336 0.0000 H 0 0 0
- -1.5724 0.9689 0.0000 H 0 0 0
- -3.0956 0.9623 0.0000 H 0 0 0
- -3.0890 -0.5609 0.0000 H 0 0 0
- 1.0632 0.2439 0.0000 H 0 0 0
- 3.6804 -0.6772 0.0000 H 0 0 0
- 4.6998 0.4546 0.0000 H 0 0 0
- 3.5680 1.4740 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 10 11 1 0
- 7 10 1 0
- 1 12 1 0
- 2 13 1 0
- 3 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 8 23 1 0
- 8 24 1 0
- 9 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 11 30 1 0
- 11 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2390-59-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 78 1 V2000
- -0.0153 0.0076 0.0067 C 0 0 0
- 1.4486 0.0678 0.0048 C 0 0 0
- -0.7994 1.2452 0.0166 C 0 0 0
- -0.6950 -1.2899 -0.0075 C 0 0 0
- 2.1641 -0.2254 -1.1671 C 0 0 0
- 2.1405 0.4246 1.1737 C 0 0 0
- -1.4725 1.6432 1.1828 C 0 0 0
- -0.8755 2.0404 -1.1385 C 0 0 0
- 0.0419 -2.4732 0.1636 C 0 0 0
- -2.0865 -1.3545 -0.1864 C 0 0 0
- 3.5270 -0.1674 -1.1638 C 0 0 0
- 3.5032 0.4797 1.1667 C 0 0 0
- -2.2009 2.7967 1.1870 C 0 0 0
- -1.6063 3.1918 -1.1240 C 0 0 0
- -0.5957 -3.6788 0.1501 C 0 0 0
- -2.7147 -2.5650 -0.1984 C 0 0 0
- 4.2098 0.1823 0.0011 C 0 0 0
- -2.2776 3.5801 0.0357 C 0 0 0
- -1.9774 -3.7378 -0.0333 C 0 0 0
- 5.5952 0.2398 -0.0008 N 0 0 0
- -3.0197 4.7515 0.0452 N 0 0 0
- -2.6207 -4.9658 -0.0462 N 0 3 0
- 6.3697 -0.7314 0.7758 C 0 0 0
- 6.2845 1.2717 -0.7795 C 0 0 0
- -4.4063 4.7440 -0.4276 C 0 0 0
- -2.4171 5.9965 0.5279 C 0 0 0
- -3.2907 -5.4289 -1.2640 C 0 0 0
- -2.6305 -5.8003 1.1578 C 0 0 0
- 6.2145 -2.1211 0.1548 C 0 0 0
- 6.9867 2.2437 0.1707 C 0 0 0
- -5.2065 3.7012 0.3555 C 0 0 0
- -1.8762 6.7952 -0.6597 C 0 0 0
- -2.2427 -5.7572 -2.3292 C 0 0 0
- -3.4507 -5.1105 2.2497 C 0 0 0
- 1.9878 -1.2329 0.0000 H 0 0 0
- 1.8793 1.4135 0.0000 H 0 0 0
- -2.1851 0.9095 0.0000 H 0 0 0
- 0.0920 2.3723 0.0000 H 0 0 0
- 1.0641 -2.4371 0.0000 H 0 0 0
- -2.6378 -0.4930 0.0000 H 0 0 0
- 3.7879 -1.1564 0.0000 H 0 0 0
- 3.6853 1.4862 0.0000 H 0 0 0
- -3.1684 2.4649 0.0000 H 0 0 0
- -0.8981 3.9298 0.0000 H 0 0 0
- -0.0494 -4.5435 0.0000 H 0 0 0
- -3.7367 -2.6072 0.0000 H 0 0 0
- 7.3221 -1.1045 0.0000 H 0 0 0
- 6.9768 0.0918 0.0000 H 0 0 0
- 5.8546 2.1998 0.0000 H 0 0 0
- 5.2647 1.3509 0.0000 H 0 0 0
- -4.1885 5.7434 0.0000 H 0 0 0
- -5.3341 5.1746 0.0000 H 0 0 0
- -2.9075 6.8941 0.0000 H 0 0 0
- -3.4396 5.9713 0.0000 H 0 0 0
- -4.0424 -4.7353 0.0000 H 0 0 0
- -3.8028 -6.3143 0.0000 H 0 0 0
- -3.0938 -6.7122 0.0000 H 0 0 0
- -1.6372 -6.0443 0.0000 H 0 0 0
- 5.1980 -2.0076 0.0000 H 0 0 0
- 6.1010 -3.1376 0.0000 H 0 0 0
- 7.2310 -2.2346 0.0000 H 0 0 0
- 7.8158 1.6447 0.0000 H 0 0 0
- 7.5857 3.0728 0.0000 H 0 0 0
- 6.1576 2.8427 0.0000 H 0 0 0
- -6.0180 4.3239 0.0000 H 0 0 0
- -5.8292 2.8897 0.0000 H 0 0 0
- -4.3950 3.0785 0.0000 H 0 0 0
- -1.0293 6.2217 0.0000 H 0 0 0
- -1.3027 7.6421 0.0000 H 0 0 0
- -2.7231 7.3687 0.0000 H 0 0 0
- -2.5485 -6.7333 0.0000 H 0 0 0
- -1.2666 -6.0630 0.0000 H 0 0 0
- -1.9369 -4.7811 0.0000 H 0 0 0
- -2.7924 -4.3277 0.0000 H 0 0 0
- -4.2335 -4.4522 0.0000 H 0 0 0
- -4.1090 -5.8933 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 2 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 10 4 1 0
- 11 5 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 10 2 0
- 17 11 2 0
- 18 13 2 0
- 19 15 1 0
- 20 17 1 0
- 21 18 1 0
- 22 19 2 0
- 23 20 1 0
- 24 20 1 0
- 25 21 1 0
- 26 21 1 0
- 27 22 1 0
- 28 22 1 0
- 29 23 1 0
- 30 24 1 0
- 31 25 1 0
- 32 26 1 0
- 33 27 1 0
- 34 28 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 5 35 1 0
- 6 36 1 0
- 7 37 1 0
- 8 38 1 0
- 9 39 1 0
- 10 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 14 44 1 0
- 15 45 1 0
- 16 46 1 0
- 23 47 1 0
- 23 48 1 0
- 24 49 1 0
- 24 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 27 55 1 0
- 27 56 1 0
- 28 57 1 0
- 28 58 1 0
- 29 59 1 0
- 29 60 1 0
- 29 61 1 0
- 30 62 1 0
- 30 63 1 0
- 30 64 1 0
- 31 65 1 0
- 31 66 1 0
- 31 67 1 0
- 32 68 1 0
- 32 69 1 0
- 32 70 1 0
- 33 71 1 0
- 33 72 1 0
- 33 73 1 0
- 34 74 1 0
- 34 75 1 0
- 34 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2429-73-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 76 81 1 V2000
- 5.3538 -1.9135 0.2485 O 0 0 0
- 6.1125 -0.8136 0.0199 C 0 0 0
- 7.5136 -0.8874 0.1035 C 0 0 0
- 5.5105 0.4034 -0.3067 C 0 0 0
- 8.2904 0.2727 -0.1387 C 0 0 0
- 8.1612 -2.0995 0.4255 C 0 0 0
- 4.1547 0.4861 -0.3961 N 0 0 0
- 6.2993 1.5451 -0.5444 C 0 0 0
- 7.6515 1.4866 -0.4603 C 0 0 0
- 9.6894 0.1954 -0.0540 C 0 0 0
- 7.4174 -3.2501 0.6674 N 0 0 0
- 9.5393 -2.1328 0.4987 C 0 0 0
- 3.4159 0.0162 0.5512 N 0 0 0
- 5.5191 3.0705 -0.9557 S 0 0 0
- 10.2901 -0.9875 0.2588 C 0 0 0
- 2.0562 0.0992 0.4615 C 0 0 0
- 6.4423 3.7657 -1.7824 O 0 0 0
- 4.1844 2.7377 -1.3123 O 0 0 0
- 5.4136 3.8873 0.3243 O 0 0 0
- 12.0474 -1.0665 0.3609 S 0 0 0
- 1.2543 -0.4102 1.4887 C 0 0 0
- 1.4634 0.6988 -0.6549 C 0 0 0
- 12.3963 -2.3938 -0.0075 O 0 0 0
- 12.5242 0.1143 -0.2696 O 0 0 0
- 12.4244 -0.9323 1.8294 O 0 0 0
- -0.1160 -0.3241 1.3944 C 0 0 0
- 0.1034 0.7829 -0.7457 C 0 0 0
- -0.7008 0.2710 0.2747 C 0 0 0
- -2.1751 0.3644 0.1718 C 0 0 0
- -2.7665 1.5187 -0.3454 C 0 0 0
- -2.9724 -0.7042 0.5869 C 0 0 0
- -4.1368 1.6042 -0.4404 C 0 0 0
- -4.3323 -0.6223 0.4939 C 0 0 0
- -4.9321 0.5334 -0.0181 C 0 0 0
- -6.2918 0.6140 -0.1106 N 0 0 0
- -7.0244 -0.3737 0.2791 N 0 0 0
- -8.3810 -0.2933 0.1868 C 0 0 0
- -9.1071 -1.3479 -0.3996 C 0 0 0
- -9.0445 0.8305 0.6786 C 0 0 0
- -8.2484 -2.7610 -1.0082 S 0 0 0
- -10.4580 -1.2906 -0.5026 C 0 0 0
- -8.3464 1.8437 1.2483 O 0 0 0
- -10.4479 0.9015 0.5777 C 0 0 0
- -9.0302 -3.2523 -2.0884 O 0 0 0
- -6.8826 -2.3775 -1.0892 O 0 0 0
- -8.3138 -3.8327 0.0705 O 0 0 0
- -11.1597 -0.1681 -0.0210 C 0 0 0
- -11.1521 2.0159 1.0613 C 0 0 0
- -12.5590 -0.0965 -0.1212 C 0 0 0
- -12.5251 2.0535 0.9470 C 0 0 0
- -13.2194 0.9954 0.3499 C 0 0 0
- -13.2295 3.1603 1.4269 N 0 0 0
- 4.7774 -2.7491 0.0000 H 0 0 0
- 8.1948 2.3441 0.0000 H 0 0 0
- 10.2440 1.0456 0.0000 H 0 0 0
- 6.4036 -3.1991 0.0000 H 0 0 0
- 7.8801 -4.1536 0.0000 H 0 0 0
- 10.0109 -3.0317 0.0000 H 0 0 0
- 5.2836 4.8940 0.0000 H 0 0 0
- 1.5070 -1.3933 0.0000 H 0 0 0
- 1.8833 1.6230 0.0000 H 0 0 0
- 13.3807 -0.5919 0.0000 H 0 0 0
- -0.5377 -1.2474 0.0000 H 0 0 0
- -0.1502 1.7658 0.0000 H 0 0 0
- -2.2104 2.3679 0.0000 H 0 0 0
- -2.5448 -1.6248 0.0000 H 0 0 0
- -4.5644 2.5248 0.0000 H 0 0 0
- -4.8853 -1.4735 0.0000 H 0 0 0
- -10.9688 -2.1678 0.0000 H 0 0 0
- -7.7705 2.6796 0.0000 H 0 0 0
- -8.3756 -4.8459 0.0000 H 0 0 0
- -10.6501 2.8982 0.0000 H 0 0 0
- -13.0800 -0.9677 0.0000 H 0 0 0
- -14.2343 1.0141 0.0000 H 0 0 0
- -12.7604 4.0605 0.0000 H 0 0 0
- -14.2437 3.1165 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 14 2 0
- 19 14 1 0
- 20 15 1 0
- 21 16 2 0
- 22 16 1 0
- 23 20 2 0
- 24 20 2 0
- 25 20 1 0
- 26 21 1 0
- 27 22 2 0
- 28 26 2 0
- 29 28 1 0
- 30 29 2 0
- 31 29 1 0
- 32 30 1 0
- 33 31 2 0
- 34 32 2 0
- 35 34 1 0
- 36 35 2 0
- 37 36 1 0
- 38 37 2 0
- 39 37 1 0
- 40 38 1 0
- 41 38 1 0
- 42 39 1 0
- 43 39 2 0
- 44 40 2 0
- 45 40 2 0
- 46 40 1 0
- 47 41 2 0
- 48 43 1 0
- 49 47 1 0
- 50 48 2 0
- 51 49 2 0
- 52 50 1 0
- 8 9 1 0
- 12 15 1 0
- 27 28 1 0
- 33 34 1 0
- 43 47 1 0
- 50 51 1 0
- 1 53 1 0
- 9 54 1 0
- 10 55 1 0
- 11 56 1 0
- 11 57 1 0
- 12 58 1 0
- 19 59 1 0
- 21 60 1 0
- 22 61 1 0
- 25 62 1 0
- 26 63 1 0
- 27 64 1 0
- 30 65 1 0
- 31 66 1 0
- 32 67 1 0
- 33 68 1 0
- 41 69 1 0
- 42 70 1 0
- 46 71 1 0
- 48 72 1 0
- 49 73 1 0
- 51 74 1 0
- 52 75 1 0
- 52 76 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2429-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 63 67 1 V2000
- 5.3727 -2.4041 -0.4411 O 0 0 0
- 6.2048 -1.3440 -0.2907 C 0 0 0
- 7.5979 -1.5380 -0.2123 C 0 0 0
- 5.6909 -0.0495 -0.2178 C 0 0 0
- 8.4510 -0.4171 -0.0551 C 0 0 0
- 8.1541 -2.8253 -0.2871 C 0 0 0
- 4.3461 0.1512 -0.2980 N 0 0 0
- 6.5556 1.0511 -0.0620 C 0 0 0
- 7.8976 0.8761 0.0214 C 0 0 0
- 9.8400 -0.6114 0.0230 C 0 0 0
- 9.5212 -2.9800 -0.2066 C 0 0 0
- 3.5499 -0.4925 0.4867 N 0 0 0
- 5.8842 2.6777 0.0272 S 0 0 0
- 10.3561 -1.8678 -0.0523 C 0 0 0
- 10.0785 -4.2589 -0.2806 N 0 0 0
- 2.2020 -0.2912 0.4063 C 0 0 0
- 6.8779 3.5359 -0.5162 O 0 0 0
- 4.5464 2.5693 -0.4395 O 0 0 0
- 5.7797 3.0467 1.5001 O 0 0 0
- 1.3378 -0.9890 1.2570 C 0 0 0
- 1.6838 0.6172 -0.5231 C 0 0 0
- -0.0203 -0.7827 1.1729 C 0 0 0
- 0.3358 0.8198 -0.6042 C 0 0 0
- -0.5306 0.1216 0.2393 C 0 0 0
- -1.9918 0.3445 0.1476 C 0 0 0
- -2.4892 1.6328 -0.0593 C 0 0 0
- -2.8706 -0.7345 0.2623 C 0 0 0
- -3.8473 1.8385 -0.1448 C 0 0 0
- -4.2187 -0.5334 0.1779 C 0 0 0
- -4.7245 0.7553 -0.0240 C 0 0 0
- -6.0725 0.9550 -0.1077 N 0 0 0
- -6.8807 -0.0443 0.0039 N 0 0 0
- -8.2286 0.1554 -0.0798 C 0 0 0
- -9.1025 -0.9244 0.0406 C 0 0 0
- -8.7348 1.4464 -0.2811 C 0 0 0
- -10.4777 -0.7139 -0.0452 C 0 0 0
- -10.0928 1.6530 -0.3657 C 0 0 0
- -11.4094 -1.8495 0.0815 C 0 0 0
- -10.9724 0.5835 -0.2524 C 0 0 0
- -12.5963 -1.6872 -0.1218 O 0 0 0
- -10.9447 -3.0674 0.4227 O 0 0 0
- -12.3087 0.7934 -0.3371 O 0 0 0
- 4.7366 -3.2145 0.0000 H 0 0 0
- 7.5407 -3.6530 0.0000 H 0 0 0
- 8.5195 1.6975 0.0000 H 0 0 0
- 10.4717 0.2025 0.0000 H 0 0 0
- 11.3780 -1.9984 0.0000 H 0 0 0
- 9.4664 -5.0876 0.0000 H 0 0 0
- 11.1022 -4.3747 0.0000 H 0 0 0
- 5.4990 4.0380 0.0000 H 0 0 0
- 1.6069 -1.9835 0.0000 H 0 0 0
- 2.2662 1.4670 0.0000 H 0 0 0
- -0.6053 -1.6307 0.0000 H 0 0 0
- 0.0664 1.8142 0.0000 H 0 0 0
- -1.8443 2.4363 0.0000 H 0 0 0
- -2.4984 -1.6952 0.0000 H 0 0 0
- -4.2197 2.7991 0.0000 H 0 0 0
- -4.8604 -1.3394 0.0000 H 0 0 0
- -8.7307 -1.8852 0.0000 H 0 0 0
- -8.0918 2.2513 0.0000 H 0 0 0
- -10.4613 2.6151 0.0000 H 0 0 0
- -10.5774 -4.0300 0.0000 H 0 0 0
- -13.3265 0.9533 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 2 0
- 12 7 2 0
- 13 8 1 0
- 14 10 2 0
- 15 11 1 0
- 16 12 1 0
- 17 13 2 0
- 18 13 2 0
- 19 13 1 0
- 20 16 2 0
- 21 16 1 0
- 22 20 1 0
- 23 21 2 0
- 24 22 2 0
- 25 24 1 0
- 26 25 2 0
- 27 25 1 0
- 28 26 1 0
- 29 27 2 0
- 30 28 2 0
- 31 30 1 0
- 32 31 2 0
- 33 32 1 0
- 34 33 2 0
- 35 33 1 0
- 36 34 1 0
- 37 35 2 0
- 38 36 1 0
- 39 36 2 0
- 40 38 2 0
- 41 38 1 0
- 42 39 1 0
- 8 9 1 0
- 11 14 1 0
- 23 24 1 0
- 29 30 1 0
- 37 39 1 0
- 1 43 1 0
- 6 44 1 0
- 9 45 1 0
- 10 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 19 50 1 0
- 20 51 1 0
- 21 52 1 0
- 22 53 1 0
- 23 54 1 0
- 26 55 1 0
- 27 56 1 0
- 28 57 1 0
- 29 58 1 0
- 34 59 1 0
- 35 60 1 0
- 37 61 1 0
- 41 62 1 0
- 42 63 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2465-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 42 1 V2000
- 0.0177 -1.6949 -0.2134 C 0 0 0
- 1.2908 -0.9457 -0.1334 C 0 0 0
- -1.2712 -0.9765 -0.1079 C 0 0 0
- 0.0316 -2.9888 -0.3824 N 0 0 0
- 2.3862 -1.4975 0.5335 C 0 0 0
- 1.4007 0.3124 -0.7296 C 0 0 0
- -1.7850 -0.6427 1.1466 C 0 0 0
- -1.9732 -0.6261 -1.2632 C 0 0 0
- 3.5703 -0.7979 0.6066 C 0 0 0
- 2.5867 1.0076 -0.6536 C 0 0 0
- -2.9850 0.0266 1.2419 C 0 0 0
- -3.1723 0.0429 -1.1623 C 0 0 0
- 3.6753 0.4577 0.0166 C 0 0 0
- -3.6849 0.3699 0.0896 C 0 0 0
- 4.8734 1.1631 0.0924 N 0 0 0
- -4.8979 1.0465 0.1889 N 0 0 0
- 4.9855 2.4854 -0.5284 C 0 0 0
- 6.0220 0.5830 0.7928 C 0 0 0
- -5.6360 1.4086 -1.0237 C 0 0 0
- -5.4359 1.3962 1.5058 C 0 0 0
- 0.0420 -3.9538 0.0000 H 0 0 0
- 2.4185 -2.4620 0.0000 H 0 0 0
- 0.5850 0.8282 0.0000 H 0 0 0
- -1.2868 0.1838 0.0000 H 0 0 0
- -2.4239 -1.4795 0.0000 H 0 0 0
- 4.3878 -1.3108 0.0000 H 0 0 0
- 2.5566 1.9722 0.0000 H 0 0 0
- -2.5373 0.8816 0.0000 H 0 0 0
- -3.6671 -0.7857 0.0000 H 0 0 0
- 5.9471 2.4039 0.0000 H 0 0 0
- 5.0670 3.4470 0.0000 H 0 0 0
- 4.0239 2.5669 0.0000 H 0 0 0
- 5.5869 -0.2784 0.0000 H 0 0 0
- 6.8834 0.1479 0.0000 H 0 0 0
- 6.4571 1.4444 0.0000 H 0 0 0
- -5.2109 2.2750 0.0000 H 0 0 0
- -6.5024 1.8337 0.0000 H 0 0 0
- -6.0611 0.5422 0.0000 H 0 0 0
- -4.9099 2.2054 0.0000 H 0 0 0
- -6.2451 1.9222 0.0000 H 0 0 0
- -5.9619 0.5870 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 2 0
- 9 13 2 0
- 11 14 2 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 10 13 1 0
- 12 14 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 10 27 1 0
- 11 28 1 0
- 12 29 1 0
- 17 30 1 0
- 17 31 1 0
- 17 32 1 0
- 18 33 1 0
- 18 34 1 0
- 18 35 1 0
- 19 36 1 0
- 19 37 1 0
- 19 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2586-60-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 77 1 V2000
- 5.6124 1.6186 -0.0775 N 0 0 0
- 4.7948 1.9983 0.8453 N 0 0 0
- 6.9490 1.6187 0.1580 C 0 0 0
- 3.4511 1.9982 0.6086 C 0 0 0
- 7.7330 0.3925 0.0168 C 0 0 0
- 7.6094 2.7943 0.5360 C 0 0 0
- 2.5637 2.4099 1.6090 C 0 0 0
- 2.9592 1.5919 -0.6372 C 0 0 0
- 9.1244 0.4354 0.2712 C 0 0 0
- 7.1342 -0.8187 -0.3646 C 0 0 0
- 6.8928 3.9762 0.6732 N 0 0 0
- 8.9846 2.7837 0.7758 C 0 0 0
- 1.2185 2.4097 1.3703 C 0 0 0
- 1.6138 1.5929 -0.8728 C 0 0 0
- 9.8849 -0.7387 0.1377 C 0 0 0
- 9.7233 1.6504 0.6525 C 0 0 0
- 5.7997 -0.8751 -0.6125 O 0 0 0
- 7.9126 -1.9504 -0.4857 C 0 0 0
- 0.7290 1.9991 0.1287 C 0 0 0
- 9.2800 -1.9014 -0.2332 C 0 0 0
- -0.7292 1.9990 -0.1282 C 0 0 0
- 10.2450 -3.3665 -0.3976 S 0 0 0
- -1.2187 2.4104 -1.3695 C 0 0 0
- -1.6133 1.5821 0.8694 C 0 0 0
- 9.6011 -4.1426 -1.3988 O 0 0 0
- 11.5984 -2.9352 -0.4350 O 0 0 0
- 10.0980 -4.1556 0.8955 O 0 0 0
- -2.5639 2.4110 -1.6081 C 0 0 0
- -2.9587 1.5815 0.6340 C 0 0 0
- -3.4513 1.9990 -0.6078 C 0 0 0
- -4.7951 1.9990 -0.8445 N 0 0 0
- -5.6125 1.6191 0.0782 N 0 0 0
- -6.9492 1.6190 -0.1573 C 0 0 0
- -7.7331 0.3927 -0.0164 C 0 0 0
- -7.6097 2.7947 -0.5351 C 0 0 0
- -9.1244 0.4356 -0.2708 C 0 0 0
- -7.1342 -0.8185 0.3647 C 0 0 0
- -6.8932 3.9767 -0.6721 N 0 0 0
- -8.9849 2.7840 -0.7750 C 0 0 0
- -9.8849 -0.7386 -0.1376 C 0 0 0
- -9.7235 1.6506 -0.6519 C 0 0 0
- -5.7997 -0.8748 0.6127 O 0 0 0
- -7.9125 -1.9502 0.4856 C 0 0 0
- -9.2799 -1.9013 0.2331 C 0 0 0
- -10.2448 -3.3665 0.3972 S 0 0 0
- -9.6008 -4.1427 1.3982 O 0 0 0
- -11.5982 -2.9354 0.4346 O 0 0 0
- -10.0977 -4.1554 -0.8961 O 0 0 0
- 2.7815 3.3975 0.0000 H 0 0 0
- 3.3010 0.6401 0.0000 H 0 0 0
- 7.3795 4.8627 0.0000 H 0 0 0
- 5.8817 3.9545 0.0000 H 0 0 0
- 9.4698 3.6710 0.0000 H 0 0 0
- 0.8726 3.3600 0.0000 H 0 0 0
- 1.3975 0.6050 0.0000 H 0 0 0
- 10.8951 -0.6907 0.0000 H 0 0 0
- 10.7328 1.7109 0.0000 H 0 0 0
- 4.7893 -0.9178 0.0000 H 0 0 0
- 7.4580 -2.8538 0.0000 H 0 0 0
- -0.8722 3.3605 0.0000 H 0 0 0
- -1.3921 0.5953 0.0000 H 0 0 0
- 9.9128 -5.1498 0.0000 H 0 0 0
- -2.7817 3.3986 0.0000 H 0 0 0
- -3.3067 0.6320 0.0000 H 0 0 0
- -5.8821 3.9551 0.0000 H 0 0 0
- -7.3800 4.8631 0.0000 H 0 0 0
- -9.4702 3.6712 0.0000 H 0 0 0
- -10.8951 -0.6906 0.0000 H 0 0 0
- -10.7330 1.7110 0.0000 H 0 0 0
- -4.7893 -0.9174 0.0000 H 0 0 0
- -7.4578 -2.8535 0.0000 H 0 0 0
- -9.9123 -5.1496 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 1 0
- 16 9 2 0
- 17 10 1 0
- 18 10 2 0
- 19 13 2 0
- 20 15 2 0
- 21 19 1 0
- 22 20 1 0
- 23 21 2 0
- 24 21 1 0
- 25 22 2 0
- 26 22 2 0
- 27 22 1 0
- 28 23 1 0
- 29 24 2 0
- 30 28 2 0
- 31 30 1 0
- 32 31 2 0
- 33 32 1 0
- 34 33 2 0
- 35 33 1 0
- 36 34 1 0
- 37 34 1 0
- 38 35 1 0
- 39 35 2 0
- 40 36 1 0
- 41 36 2 0
- 42 37 1 0
- 43 37 2 0
- 44 40 2 0
- 45 44 1 0
- 46 45 2 0
- 47 45 2 0
- 48 45 1 0
- 12 16 1 0
- 14 19 1 0
- 18 20 1 0
- 29 30 1 0
- 39 41 1 0
- 43 44 1 0
- 7 49 1 0
- 8 50 1 0
- 11 51 1 0
- 11 52 1 0
- 12 53 1 0
- 13 54 1 0
- 14 55 1 0
- 15 56 1 0
- 16 57 1 0
- 17 58 1 0
- 18 59 1 0
- 23 60 1 0
- 24 61 1 0
- 27 62 1 0
- 28 63 1 0
- 29 64 1 0
- 38 65 1 0
- 38 66 1 0
- 39 67 1 0
- 40 68 1 0
- 41 69 1 0
- 42 70 1 0
- 43 71 1 0
- 48 72 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2610-05-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 88 93 1 V2000
- -11.6586 2.6378 0.6363 S 0 0 0
- -11.0679 3.5834 -0.2447 O 0 0 0
- -11.5378 2.6454 2.0521 O 0 0 0
- -13.1525 2.6813 0.3485 O 0 0 0
- -11.0671 1.0623 0.1139 C 0 0 0
- -9.6893 0.7954 0.1137 C 0 0 0
- -11.9487 0.1018 -0.2845 C 0 0 0
- -9.2268 -0.4756 -0.3088 C 0 0 0
- -8.7631 1.7738 0.5270 C 0 0 0
- -11.5078 -1.1489 -0.7011 C 0 0 0
- -10.1604 -1.4498 -0.7216 C 0 0 0
- -7.8471 -0.7460 -0.3106 C 0 0 0
- -7.4347 1.5018 0.5212 C 0 0 0
- -12.6803 -2.3627 -1.2077 S 0 0 0
- -9.7275 -2.7040 -1.1406 N 0 0 0
- -7.3869 -1.9564 -0.7120 O 0 0 0
- -6.9562 0.2448 0.1048 C 0 0 0
- -12.4427 -2.5746 -2.5925 O 0 0 0
- -12.6518 -3.3692 -0.2049 O 0 0 0
- -14.0605 -1.7278 -1.1172 O 0 0 0
- -5.6175 -0.0057 0.1077 N 0 0 0
- -4.7913 0.9078 0.4910 N 0 0 0
- -3.4510 0.6571 0.4940 C 0 0 0
- -2.5503 1.6504 0.9110 C 0 0 0
- -2.9707 -0.5923 0.0872 C 0 0 0
- -3.0106 2.8633 1.3123 O 0 0 0
- -1.1929 1.3881 0.9115 C 0 0 0
- -1.6291 -0.8453 0.0900 C 0 0 0
- -1.8666 3.6417 1.6693 C 0 0 0
- -0.7270 0.1401 0.4985 C 0 0 0
- 0.7269 -0.1428 0.4979 C 0 0 0
- 1.1929 -1.3923 0.9062 C 0 0 0
- 1.6282 0.8406 0.0828 C 0 0 0
- 2.5503 -1.6544 0.9049 C 0 0 0
- 2.9698 0.5878 0.0793 C 0 0 0
- 3.0105 -2.8690 1.3009 O 0 0 0
- 3.4509 -0.6594 0.4920 C 0 0 0
- 1.8666 -3.6490 1.6544 C 0 0 0
- 4.7912 -0.9101 0.4878 N 0 0 0
- 5.6174 0.0049 0.1082 N 0 0 0
- 6.9562 -0.2455 0.1040 C 0 0 0
- 7.8471 0.7469 -0.3074 C 0 0 0
- 7.4351 -1.5024 0.5203 C 0 0 0
- 7.3870 1.9594 -0.7026 O 0 0 0
- 9.2267 0.4763 -0.3072 C 0 0 0
- 8.7635 -1.7744 0.5246 C 0 0 0
- 9.6892 -0.7964 0.1096 C 0 0 0
- 10.1603 1.4524 -0.7163 C 0 0 0
- 11.0674 -1.0633 0.1080 C 0 0 0
- 9.7272 2.7088 -1.1289 N 0 0 0
- 11.5070 1.1497 -0.7031 C 0 0 0
- 11.6591 -2.6411 0.6229 S 0 0 0
- 11.9482 -0.1031 -0.2918 C 0 0 0
- 12.6786 2.3629 -1.2130 S 0 0 0
- 11.2313 -2.7933 1.9694 O 0 0 0
- 11.3575 -3.5327 -0.4417 O 0 0 0
- 13.1780 -2.5617 0.6780 O 0 0 0
- 12.4893 2.5182 -2.6127 O 0 0 0
- 12.5977 3.4060 -0.2513 O 0 0 0
- 14.0642 1.7550 -1.0481 O 0 0 0
- -14.1620 2.7107 0.0000 H 0 0 0
- -12.9382 0.3043 0.0000 H 0 0 0
- -9.0668 2.7370 0.0000 H 0 0 0
- -6.7806 2.2713 0.0000 H 0 0 0
- -10.3895 -3.4667 0.0000 H 0 0 0
- -8.7359 -2.8960 0.0000 H 0 0 0
- -7.0280 -2.9004 0.0000 H 0 0 0
- -14.9780 -1.3057 0.0000 H 0 0 0
- -3.6175 -1.3680 0.0000 H 0 0 0
- -0.5406 2.1591 0.0000 H 0 0 0
- -1.3099 -1.8035 0.0000 H 0 0 0
- -1.2984 2.8067 0.0000 H 0 0 0
- -1.0316 4.2099 0.0000 H 0 0 0
- -2.4348 4.4767 0.0000 H 0 0 0
- 0.5405 -2.1633 0.0000 H 0 0 0
- 1.3092 1.7989 0.0000 H 0 0 0
- 3.6161 1.3639 0.0000 H 0 0 0
- 1.2976 -2.8146 0.0000 H 0 0 0
- 1.0322 -4.2180 0.0000 H 0 0 0
- 2.4356 -4.4834 0.0000 H 0 0 0
- 6.7811 -2.2720 0.0000 H 0 0 0
- 7.0287 2.9037 0.0000 H 0 0 0
- 9.0672 -2.7376 0.0000 H 0 0 0
- 10.3895 3.4713 0.0000 H 0 0 0
- 8.7357 2.9012 0.0000 H 0 0 0
- 12.9377 -0.3056 0.0000 H 0 0 0
- 14.1866 -2.5090 0.0000 H 0 0 0
- 14.9891 1.3492 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 1 0
- 15 11 1 0
- 16 12 1 0
- 17 12 2 0
- 18 14 2 0
- 19 14 2 0
- 20 14 1 0
- 21 17 1 0
- 22 21 2 0
- 23 22 1 0
- 24 23 2 0
- 25 23 1 0
- 26 24 1 0
- 27 24 1 0
- 28 25 2 0
- 29 26 1 0
- 30 27 2 0
- 31 30 1 0
- 32 31 2 0
- 33 31 1 0
- 34 32 1 0
- 35 33 2 0
- 36 34 1 0
- 37 34 2 0
- 38 36 1 0
- 39 37 1 0
- 40 39 2 0
- 41 40 1 0
- 42 41 2 0
- 43 41 1 0
- 44 42 1 0
- 45 42 1 0
- 46 43 2 0
- 47 45 2 0
- 48 45 1 0
- 49 47 1 0
- 50 48 1 0
- 51 48 2 0
- 52 49 1 0
- 53 49 2 0
- 54 51 1 0
- 55 52 2 0
- 56 52 2 0
- 57 52 1 0
- 58 54 2 0
- 59 54 2 0
- 60 54 1 0
- 10 11 1 0
- 13 17 1 0
- 28 30 1 0
- 35 37 1 0
- 46 47 1 0
- 51 53 1 0
- 4 61 1 0
- 7 62 1 0
- 9 63 1 0
- 13 64 1 0
- 15 65 1 0
- 15 66 1 0
- 16 67 1 0
- 20 68 1 0
- 25 69 1 0
- 27 70 1 0
- 28 71 1 0
- 29 72 1 0
- 29 73 1 0
- 29 74 1 0
- 32 75 1 0
- 33 76 1 0
- 35 77 1 0
- 38 78 1 0
- 38 79 1 0
- 38 80 1 0
- 43 81 1 0
- 44 82 1 0
- 46 83 1 0
- 50 84 1 0
- 50 85 1 0
- 53 86 1 0
- 57 87 1 0
- 60 88 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2610-11-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 69 1 V2000
- 2.1355 -2.3504 -0.6036 O 0 0 0
- 2.8048 -1.1769 -0.4930 C 0 0 0
- 4.2118 -1.1546 -0.5296 C 0 0 0
- 2.1057 0.0229 -0.3474 C 0 0 0
- 4.8925 0.0836 -0.4127 C 0 0 0
- 4.9495 -2.3418 -0.6798 C 0 0 0
- 0.7454 0.0140 -0.3160 N 0 0 0
- 2.8012 1.2422 -0.2325 C 0 0 0
- 4.1561 1.2757 -0.2620 C 0 0 0
- 6.2945 0.1036 -0.4493 C 0 0 0
- 6.3081 -2.2967 -0.7121 C 0 0 0
- 0.1234 -0.8156 0.4515 N 0 0 0
- 1.8982 2.7441 -0.0490 S 0 0 0
- 6.9886 -1.0789 -0.5983 C 0 0 0
- -1.2409 -0.8245 0.4830 C 0 0 0
- 2.7008 3.7527 -0.6473 O 0 0 0
- 0.5590 2.4362 -0.4110 O 0 0 0
- 1.8597 3.0733 1.4364 O 0 0 0
- 8.3845 -1.0611 -0.6350 N 0 0 0
- -1.9157 -1.7245 1.3156 C 0 0 0
- -1.9653 0.0706 -0.3131 C 0 0 0
- 9.0777 -0.4851 0.3671 C 0 0 0
- -3.2807 -1.7335 1.3473 C 0 0 0
- -3.3299 0.0617 -0.2816 C 0 0 0
- 8.4960 -0.0837 1.3562 O 0 0 0
- 10.5451 -0.3415 0.2634 C 0 0 0
- -4.0051 -0.8425 0.5470 C 0 0 0
- 11.2660 0.2544 1.2994 C 0 0 0
- 11.2169 -0.8067 -0.8686 C 0 0 0
- -5.3691 -0.8514 0.5786 N 0 0 0
- 12.6357 0.3849 1.1964 C 0 0 0
- 12.5864 -0.6700 -0.9588 C 0 0 0
- -6.0367 -0.0302 -0.1590 N 0 0 0
- 13.2945 -0.0734 0.0697 C 0 0 0
- -7.4025 -0.0391 -0.1274 C 0 0 0
- -8.1293 0.8492 -0.9251 C 0 0 0
- -8.0803 -0.9407 0.6989 C 0 0 0
- -9.5079 0.8343 -0.8878 C 0 0 0
- -9.4588 -0.9437 0.7254 C 0 0 0
- -10.1716 -0.0571 -0.0632 C 0 0 0
- -11.9331 -0.0681 -0.0219 S 0 0 0
- -12.2859 -0.4850 1.2899 O 0 0 0
- -12.3413 1.1462 -0.6368 O 0 0 0
- -12.4030 -1.1796 -0.9494 O 0 0 0
- 1.6302 -3.2363 0.0000 H 0 0 0
- 4.4688 -3.2413 0.0000 H 0 0 0
- 4.6418 2.1725 0.0000 H 0 0 0
- 6.7949 0.9923 0.0000 H 0 0 0
- 6.8387 -3.1677 0.0000 H 0 0 0
- 1.7412 4.0863 0.0000 H 0 0 0
- 8.7371 -2.0181 0.0000 H 0 0 0
- -1.4565 -2.6352 0.0000 H 0 0 0
- -1.5291 0.9925 0.0000 H 0 0 0
- -3.7158 -2.6559 0.0000 H 0 0 0
- -3.7899 0.9719 0.0000 H 0 0 0
- 10.8755 1.1966 0.0000 H 0 0 0
- 10.9615 -1.7941 0.0000 H 0 0 0
- 12.8944 1.3714 0.0000 H 0 0 0
- 12.9834 -1.6094 0.0000 H 0 0 0
- 14.3133 -0.0263 0.0000 H 0 0 0
- -7.6975 1.7732 0.0000 H 0 0 0
- -7.6237 -1.8527 0.0000 H 0 0 0
- -9.9705 1.7432 0.0000 H 0 0 0
- -9.8985 -1.8639 0.0000 H 0 0 0
- -12.8001 -2.1190 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 2 0
- 12 7 2 0
- 13 8 1 0
- 14 10 2 0
- 15 12 1 0
- 16 13 2 0
- 17 13 2 0
- 18 13 1 0
- 19 14 1 0
- 20 15 2 0
- 21 15 1 0
- 22 19 1 0
- 23 20 1 0
- 24 21 2 0
- 25 22 2 0
- 26 22 1 0
- 27 23 2 0
- 28 26 2 0
- 29 26 1 0
- 30 27 1 0
- 31 28 1 0
- 32 29 2 0
- 33 30 2 0
- 34 31 2 0
- 35 33 1 0
- 36 35 2 0
- 37 35 1 0
- 38 36 1 0
- 39 37 2 0
- 40 38 2 0
- 41 40 1 0
- 42 41 2 0
- 43 41 2 0
- 44 41 1 0
- 8 9 1 0
- 11 14 1 0
- 24 27 1 0
- 32 34 1 0
- 39 40 1 0
- 1 45 1 0
- 6 46 1 0
- 9 47 1 0
- 10 48 1 0
- 11 49 1 0
- 18 50 1 0
- 19 51 1 0
- 20 52 1 0
- 21 53 1 0
- 23 54 1 0
- 24 55 1 0
- 28 56 1 0
- 29 57 1 0
- 31 58 1 0
- 32 59 1 0
- 34 60 1 0
- 36 61 1 0
- 37 62 1 0
- 38 63 1 0
- 39 64 1 0
- 44 65 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2611-82-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 52 1 V2000
- 0.0745 0.8612 -0.6557 N 0 0 0
- -0.9156 1.2920 0.0502 N 0 0 0
- 1.2361 1.5638 -0.6961 C 0 0 0
- -2.1298 0.6820 -0.0366 C 0 0 0
- 2.5127 0.9160 -0.3957 C 0 0 0
- 1.2390 2.9211 -1.0314 C 0 0 0
- -3.2839 1.2088 0.6905 C 0 0 0
- -2.3003 -0.4525 -0.8235 C 0 0 0
- 3.7001 1.6855 -0.4494 C 0 0 0
- 2.5815 -0.4402 -0.0582 C 0 0 0
- 0.0704 3.5470 -1.3199 O 0 0 0
- 2.4354 3.6349 -1.0706 C 0 0 0
- -4.5287 0.5436 0.5716 C 0 0 0
- -3.1828 2.3489 1.4958 C 0 0 0
- -3.5391 -1.0712 -0.9100 C 0 0 0
- 4.9299 1.0694 -0.1619 C 0 0 0
- 3.6290 3.0485 -0.7888 C 0 0 0
- 1.1129 -1.4112 0.0124 S 0 0 0
- 3.7917 -1.0064 0.2155 C 0 0 0
- -4.6257 -0.6012 -0.2371 C 0 0 0
- -5.6430 1.0436 1.2673 C 0 0 0
- -4.2838 2.8066 2.1571 C 0 0 0
- 4.9614 -0.2530 0.1627 C 0 0 0
- 0.4106 -0.9660 1.1647 O 0 0 0
- 0.5959 -1.4261 -1.3112 O 0 0 0
- 1.5290 -2.8447 0.3099 O 0 0 0
- -6.1717 -1.4328 -0.3887 S 0 0 0
- -5.5096 2.1555 2.0419 C 0 0 0
- 6.5056 -1.0218 0.5219 S 0 0 0
- -6.5001 -1.8789 0.9199 O 0 0 0
- -6.9833 -0.5944 -1.1996 O 0 0 0
- -5.9320 -2.6934 -1.2072 O 0 0 0
- 7.3260 -0.0010 1.0735 O 0 0 0
- 6.1859 -2.2525 1.1562 O 0 0 0
- 7.1477 -1.3957 -0.8064 O 0 0 0
- -1.4947 -1.0379 0.0000 H 0 0 0
- -0.8074 4.0172 0.0000 H 0 0 0
- 2.3949 4.6299 0.0000 H 0 0 0
- -2.3308 2.8645 0.0000 H 0 0 0
- -3.5117 -2.0666 0.0000 H 0 0 0
- 5.7709 1.6027 0.0000 H 0 0 0
- 4.4603 3.5968 0.0000 H 0 0 0
- 3.8587 -2.0000 0.0000 H 0 0 0
- -6.5098 0.5533 0.0000 H 0 0 0
- -4.3307 3.8013 0.0000 H 0 0 0
- 1.8066 -3.8010 0.0000 H 0 0 0
- -6.3309 2.7186 0.0000 H 0 0 0
- -5.7460 -3.6717 0.0000 H 0 0 0
- 8.0083 -1.8968 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 7 1 0
- 15 8 2 0
- 16 9 1 0
- 17 9 2 0
- 18 10 1 0
- 19 10 2 0
- 20 13 2 0
- 21 13 1 0
- 22 14 2 0
- 23 16 2 0
- 24 18 2 0
- 25 18 2 0
- 26 18 1 0
- 27 20 1 0
- 28 21 2 0
- 29 23 1 0
- 30 27 2 0
- 31 27 2 0
- 32 27 1 0
- 33 29 2 0
- 34 29 2 0
- 35 29 1 0
- 12 17 1 0
- 15 20 1 0
- 19 23 1 0
- 22 28 1 0
- 8 36 1 0
- 11 37 1 0
- 12 38 1 0
- 14 39 1 0
- 15 40 1 0
- 16 41 1 0
- 17 42 1 0
- 19 43 1 0
- 21 44 1 0
- 22 45 1 0
- 26 46 1 0
- 28 47 1 0
- 32 48 1 0
- 35 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-298-59-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 0.0204 -0.3965 -0.5479 C 0 0 0
- -1.1965 0.4323 -0.2264 C 0 0 0
- 1.2624 0.2681 0.0493 C 0 0 0
- -0.1420 -1.7756 0.0376 C 0 0 0
- -1.9648 0.9572 -1.2483 C 0 0 0
- -1.5475 0.6628 1.0909 C 0 0 0
- 2.4978 -0.5733 -0.2772 C 0 0 0
- 1.4155 1.6137 -0.5140 N 0 0 0
- -0.7186 -2.7482 -0.6857 O 0 0 0
- 0.2467 -2.0057 1.1583 O 0 0 0
- -3.0812 1.7176 -0.9533 C 0 0 0
- -2.6635 1.4229 1.3858 C 0 0 0
- 3.7317 0.0765 0.3568 C 0 0 0
- 2.5298 2.2574 0.1897 C 0 0 0
- -0.8751 -4.0769 -0.1215 C 0 0 0
- -3.4289 1.9528 0.3635 C 0 0 0
- 3.8351 1.5256 -0.1290 C 0 0 0
- 0.8573 -0.9670 0.0000 H 0 0 0
- 0.4244 0.8370 0.0000 H 0 0 0
- -1.3940 1.7939 0.0000 H 0 0 0
- -2.1106 -0.1791 0.0000 H 0 0 0
- 1.7995 -1.3070 0.0000 H 0 0 0
- 3.1087 -1.3812 0.0000 H 0 0 0
- 0.5683 2.1689 0.0000 H 0 0 0
- -2.5123 2.5557 0.0000 H 0 0 0
- -3.2369 0.5879 0.0000 H 0 0 0
- 4.0304 -0.8913 0.0000 H 0 0 0
- 4.7380 0.1918 0.0000 H 0 0 0
- 3.1743 3.0388 0.0000 H 0 0 0
- 1.8753 3.0305 0.0000 H 0 0 0
- -1.8810 -3.9584 0.0000 H 0 0 0
- -0.9936 -5.0828 0.0000 H 0 0 0
- 0.1308 -4.1954 0.0000 H 0 0 0
- -4.2648 2.5248 0.0000 H 0 0 0
- 4.8241 1.3067 0.0000 H 0 0 0
- 4.1961 2.4720 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 2 0
- 13 17 1 0
- 12 16 1 0
- 14 17 1 0
- 1 18 1 0
- 3 19 1 0
- 5 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 11 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
- 15 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 17 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3087-16-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 65 68 1 V2000
- 1.3813 -0.0888 0.0362 C 0 0 0
- 0.1254 0.2581 -0.5148 C 0 0 0
- 2.1300 0.8917 0.8305 C 0 0 0
- 1.9324 -1.4307 -0.1816 C 0 0 0
- -1.1153 -0.0052 0.2209 C 0 0 0
- 0.0378 0.8686 -1.7778 C 0 0 0
- 3.0456 1.7517 0.2057 C 0 0 0
- 1.9282 0.9761 2.2166 C 0 0 0
- 3.1206 -1.8160 0.4579 C 0 0 0
- 1.2699 -2.3353 -1.0255 C 0 0 0
- -2.3494 0.3586 -0.3678 C 0 0 0
- -1.1005 -0.6046 1.4827 C 0 0 0
- 1.1654 1.1293 -2.4803 O 0 0 0
- -1.2052 1.2063 -2.3103 C 0 0 0
- 3.7393 2.6624 0.9485 C 0 0 0
- 2.6264 1.8898 2.9509 C 0 0 0
- 3.6291 -3.0653 0.2526 C 0 0 0
- 1.7860 -3.5825 -1.2246 C 0 0 0
- -2.3624 0.9614 -1.6406 C 0 0 0
- -3.5418 0.1095 0.3308 C 0 0 0
- -2.2778 -0.8335 2.1356 C 0 0 0
- -1.2786 1.9704 -3.8963 S 0 0 0
- 3.5393 2.7390 2.3262 C 0 0 0
- 2.9699 -3.9589 -0.5911 C 0 0 0
- -3.4931 -0.4766 1.5607 C 0 0 0
- -2.6219 2.4068 -4.0528 O 0 0 0
- -0.1290 2.8017 -3.9779 O 0 0 0
- -1.0745 0.8789 -4.9372 O 0 0 0
- 4.2474 3.6662 3.0773 N 0 0 0
- 3.4911 -5.2280 -0.7970 N 0 3 0
- -4.9914 -0.7875 2.4343 S 0 0 0
- 4.0390 3.7486 4.5251 C 0 0 0
- 5.2032 4.5628 2.4226 C 0 0 0
- 2.8005 -6.1685 -1.6828 C 0 0 0
- 4.7319 -5.6276 -0.1286 C 0 0 0
- -4.6585 -0.7057 3.8133 O 0 0 0
- -5.9871 -0.0121 1.7812 O 0 0 0
- -5.3699 -2.2406 2.1857 O 0 0 0
- 3.7327 1.1320 0.0000 H 0 0 0
- 1.0343 0.7373 0.0000 H 0 0 0
- 3.7505 -1.1383 0.0000 H 0 0 0
- 0.3513 -2.2246 0.0000 H 0 0 0
- -0.3793 -1.1843 0.0000 H 0 0 0
- 2.0669 1.3377 0.0000 H 0 0 0
- 4.6293 2.9155 0.0000 H 0 0 0
- 1.9413 2.5116 0.0000 H 0 0 0
- 4.5472 -3.1802 0.0000 H 0 0 0
- 1.1600 -4.2638 0.0000 H 0 0 0
- -3.0874 1.5362 0.0000 H 0 0 0
- -4.2834 0.6628 0.0000 H 0 0 0
- -2.3211 -1.7577 0.0000 H 0 0 0
- -0.9044 -0.0306 0.0000 H 0 0 0
- 4.3792 4.6090 0.0000 H 0 0 0
- 3.1786 4.0888 0.0000 H 0 0 0
- 3.6988 2.8882 0.0000 H 0 0 0
- 5.8362 3.8880 0.0000 H 0 0 0
- 5.8780 5.1958 0.0000 H 0 0 0
- 4.5702 5.2376 0.0000 H 0 0 0
- 2.0547 -5.6209 0.0000 H 0 0 0
- 2.2529 -6.9143 0.0000 H 0 0 0
- 3.5463 -6.7161 0.0000 H 0 0 0
- 4.4483 -6.5083 0.0000 H 0 0 0
- 5.6126 -5.9112 0.0000 H 0 0 0
- 5.0155 -4.7469 0.0000 H 0 0 0
- -5.6031 -3.1360 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 2 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 10 4 1 0
- 11 5 1 0
- 12 5 1 0
- 13 6 1 0
- 14 6 2 0
- 15 7 1 0
- 16 8 2 0
- 17 9 2 0
- 18 10 2 0
- 19 11 2 0
- 20 11 1 0
- 21 12 2 0
- 22 14 1 0
- 23 15 2 0
- 24 17 1 0
- 25 20 2 0
- 26 22 2 0
- 27 22 2 0
- 28 22 1 0
- 29 23 1 0
- 30 24 2 0
- 31 25 1 0
- 32 29 1 0
- 33 29 1 0
- 34 30 1 0
- 35 30 1 0
- 36 31 2 0
- 37 31 2 0
- 38 31 1 0
- 14 19 1 0
- 16 23 1 0
- 18 24 1 0
- 21 25 1 0
- 7 39 1 0
- 8 40 1 0
- 9 41 1 0
- 10 42 1 0
- 12 43 1 0
- 13 44 1 0
- 15 45 1 0
- 16 46 1 0
- 17 47 1 0
- 18 48 1 0
- 19 49 1 0
- 20 50 1 0
- 21 51 1 0
- 28 52 1 0
- 32 53 1 0
- 32 54 1 0
- 32 55 1 0
- 33 56 1 0
- 33 57 1 0
- 33 58 1 0
- 34 59 1 0
- 34 60 1 0
- 34 61 1 0
- 35 62 1 0
- 35 63 1 0
- 35 64 1 0
- 38 65 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-314-13-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 86 91 1 V2000
- -9.7364 -2.6794 -1.0719 N 0 0 0
- -10.1645 -1.4226 -0.6563 C 0 0 0
- -9.2271 -0.4503 -0.2479 C 0 0 0
- -11.5103 -1.1134 -0.6452 C 0 0 0
- -9.6847 0.8235 0.1717 C 0 0 0
- -7.8484 -0.7256 -0.2504 C 0 0 0
- -12.6865 -2.3198 -1.1608 S 0 0 0
- -11.9463 0.1398 -0.2320 C 0 0 0
- -11.0616 1.0948 0.1735 C 0 0 0
- -8.7547 1.7999 0.5816 C 0 0 0
- -7.3928 -1.9384 -0.6490 O 0 0 0
- -6.9533 0.2636 0.1616 C 0 0 0
- -12.4964 -2.4707 -2.5609 O 0 0 0
- -12.6110 -3.3667 -0.2030 O 0 0 0
- -14.0697 -1.7066 -0.9950 O 0 0 0
- -11.6470 2.6737 0.6923 S 0 0 0
- -7.4274 1.5236 0.5752 C 0 0 0
- -5.6162 0.0088 0.1640 N 0 0 0
- -11.2071 2.8264 2.0348 O 0 0 0
- -11.3539 3.5641 -0.3756 O 0 0 0
- -13.1654 2.5959 0.7609 O 0 0 0
- -4.7866 0.9206 0.5441 N 0 0 0
- -3.4455 0.6650 0.5465 C 0 0 0
- -2.5451 1.6534 0.9586 C 0 0 0
- -2.9706 -0.5874 0.1423 C 0 0 0
- -3.0535 3.0013 1.4010 C 0 0 0
- -1.1939 1.3915 0.9594 C 0 0 0
- -1.6294 -0.8443 0.1442 C 0 0 0
- -0.7268 0.1412 0.5492 C 0 0 0
- 0.7268 -0.1418 0.5491 C 0 0 0
- 1.1940 -1.3916 0.9609 C 0 0 0
- 1.6284 0.8393 0.1317 C 0 0 0
- 2.5452 -1.6533 0.9603 C 0 0 0
- 2.9696 0.5826 0.1300 C 0 0 0
- 3.0538 -3.0008 1.4035 C 0 0 0
- 3.4455 -0.6654 0.5467 C 0 0 0
- 4.7866 -0.9207 0.5445 N 0 0 0
- 5.6161 -0.0094 0.1631 N 0 0 0
- 6.9532 -0.2641 0.1610 C 0 0 0
- 7.8482 0.7246 -0.2525 C 0 0 0
- 7.4279 -1.5216 0.5812 C 0 0 0
- 7.3926 1.9373 -0.6515 O 0 0 0
- 9.2269 0.4493 -0.2502 C 0 0 0
- 8.7553 -1.7977 0.5875 C 0 0 0
- 9.6846 -0.8237 0.1706 C 0 0 0
- 10.1642 1.4212 -0.6612 C 0 0 0
- 11.0618 -1.0952 0.1711 C 0 0 0
- 9.7357 2.6774 -1.0785 N 0 0 0
- 11.5099 1.1139 -0.6457 C 0 0 0
- 11.6476 -2.6736 0.6910 S 0 0 0
- 11.9464 -0.1391 -0.2306 C 0 0 0
- 12.6862 2.3217 -1.1578 S 0 0 0
- 11.2185 -2.8203 2.0377 O 0 0 0
- 11.3434 -3.5673 -0.3711 O 0 0 0
- 13.1668 -2.5994 0.7467 O 0 0 0
- 12.5001 2.4722 -2.5585 O 0 0 0
- 12.6065 3.3686 -0.2003 O 0 0 0
- 14.0696 1.7103 -0.9878 O 0 0 0
- -10.4024 -3.4405 0.0000 H 0 0 0
- -8.7443 -2.8757 0.0000 H 0 0 0
- -12.9362 0.3469 0.0000 H 0 0 0
- -9.0557 2.7654 0.0000 H 0 0 0
- -7.0372 -2.8851 0.0000 H 0 0 0
- -14.9942 -1.2967 0.0000 H 0 0 0
- -6.7697 2.2918 0.0000 H 0 0 0
- -14.1754 2.5441 0.0000 H 0 0 0
- -3.6212 -1.3617 0.0000 H 0 0 0
- -2.1073 3.3582 0.0000 H 0 0 0
- -3.4104 3.9475 0.0000 H 0 0 0
- -3.9997 2.6444 0.0000 H 0 0 0
- -0.5406 2.1635 0.0000 H 0 0 0
- -1.3113 -1.8043 0.0000 H 0 0 0
- 0.5408 -2.1637 0.0000 H 0 0 0
- 1.3110 1.7995 0.0000 H 0 0 0
- 3.6194 1.3575 0.0000 H 0 0 0
- 2.1076 -3.3579 0.0000 H 0 0 0
- 3.4109 -3.9470 0.0000 H 0 0 0
- 4.0000 -2.6437 0.0000 H 0 0 0
- 6.7706 -2.2902 0.0000 H 0 0 0
- 7.0369 2.8840 0.0000 H 0 0 0
- 9.0560 -2.7633 0.0000 H 0 0 0
- 10.4014 3.4387 0.0000 H 0 0 0
- 8.7435 2.8732 0.0000 H 0 0 0
- 12.9364 -0.3456 0.0000 H 0 0 0
- 14.1769 -2.5501 0.0000 H 0 0 0
- 14.9946 1.3015 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 7 2 0
- 15 7 1 0
- 16 9 1 0
- 17 10 2 0
- 18 12 1 0
- 19 16 2 0
- 20 16 2 0
- 21 16 1 0
- 22 18 2 0
- 23 22 1 0
- 24 23 2 0
- 25 23 1 0
- 26 24 1 0
- 27 24 1 0
- 28 25 2 0
- 29 27 2 0
- 30 29 1 0
- 31 30 2 0
- 32 30 1 0
- 33 31 1 0
- 34 32 2 0
- 35 33 1 0
- 36 33 2 0
- 37 36 1 0
- 38 37 2 0
- 39 38 1 0
- 40 39 2 0
- 41 39 1 0
- 42 40 1 0
- 43 40 1 0
- 44 41 2 0
- 45 43 2 0
- 46 43 1 0
- 47 45 1 0
- 48 46 1 0
- 49 46 2 0
- 50 47 1 0
- 51 47 2 0
- 52 49 1 0
- 53 50 2 0
- 54 50 2 0
- 55 50 1 0
- 56 52 2 0
- 57 52 2 0
- 58 52 1 0
- 8 9 1 0
- 12 17 1 0
- 28 29 1 0
- 34 36 1 0
- 44 45 1 0
- 49 51 1 0
- 1 59 1 0
- 1 60 1 0
- 8 61 1 0
- 10 62 1 0
- 11 63 1 0
- 15 64 1 0
- 17 65 1 0
- 21 66 1 0
- 25 67 1 0
- 26 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 28 72 1 0
- 31 73 1 0
- 32 74 1 0
- 34 75 1 0
- 35 76 1 0
- 35 77 1 0
- 35 78 1 0
- 41 79 1 0
- 42 80 1 0
- 44 81 1 0
- 48 82 1 0
- 48 83 1 0
- 51 84 1 0
- 55 85 1 0
- 58 86 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32780-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 49 1 V2000
- 2.1392 0.2379 -0.7086 C 0 0 0
- 3.2788 -0.4869 -0.4335 C 0 0 0
- 2.0832 1.5902 -0.4147 C 0 0 0
- 0.9511 -0.4428 -1.3378 C 0 0 0
- 4.3828 0.1440 0.1444 C 0 0 0
- 3.1675 2.2265 0.1567 C 0 0 0
- 0.0339 -0.9855 -0.2401 C 0 0 0
- 0.2317 0.4977 -2.1377 O 0 0 0
- 4.3221 1.5128 0.4403 C 0 0 0
- 5.6057 -0.6259 0.4420 C 0 0 0
- -1.1244 -1.6491 -0.8534 N 0 0 0
- 5.3879 2.1364 1.0020 O 0 0 0
- 5.7015 -1.3200 1.5933 N 0 0 0
- 6.5271 -0.6341 -0.3513 O 0 0 0
- -1.9597 -2.1444 0.2488 C 0 0 0
- -3.3816 -1.6010 0.0951 C 0 0 0
- -1.9920 -3.6738 0.2167 C 0 0 0
- -3.4348 -0.1599 0.6064 C 0 0 0
- -4.8354 0.3754 0.4551 C 0 0 0
- -5.7488 0.2220 1.4816 C 0 0 0
- -5.2052 1.0246 -0.7077 C 0 0 0
- -7.0333 0.7129 1.3427 C 0 0 0
- -6.4901 1.5157 -0.8466 C 0 0 0
- -7.4049 1.3573 0.1773 C 0 0 0
- 3.2551 -1.4878 0.0000 H 0 0 0
- 1.2043 2.0696 0.0000 H 0 0 0
- 1.4549 -1.3080 0.0000 H 0 0 0
- 3.1790 3.2276 0.0000 H 0 0 0
- 0.0352 -1.9867 0.0000 H 0 0 0
- 0.9040 -1.4809 0.0000 H 0 0 0
- -0.3766 1.2929 0.0000 H 0 0 0
- -1.6286 -0.7841 0.0000 H 0 0 0
- 6.2520 2.6420 0.0000 H 0 0 0
- 4.9110 -1.9344 0.0000 H 0 0 0
- 6.6289 -1.6973 0.0000 H 0 0 0
- -2.0448 -1.1468 0.0000 H 0 0 0
- -4.3781 -1.5040 0.0000 H 0 0 0
- -3.6109 -2.5756 0.0000 H 0 0 0
- -2.9930 -3.6527 0.0000 H 0 0 0
- -2.0131 -4.6748 0.0000 H 0 0 0
- -0.9910 -3.6949 0.0000 H 0 0 0
- -2.4383 -0.2570 0.0000 H 0 0 0
- -3.2055 0.8147 0.0000 H 0 0 0
- -5.8481 -0.7743 0.0000 H 0 0 0
- -4.5533 1.7845 0.0000 H 0 0 0
- -7.6832 -0.0487 0.0000 H 0 0 0
- -6.3933 2.5122 0.0000 H 0 0 0
- -8.3115 1.7821 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 11 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 2 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 6 9 2 0
- 23 24 2 0
- 2 25 1 0
- 3 26 1 0
- 4 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 13 35 1 0
- 15 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 23 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3567-66-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- -0.7745 -2.3106 -0.4579 O 0 0 0
- -0.2697 -1.0607 -0.3148 C 0 0 0
- 1.1185 -0.8621 -0.2186 C 0 0 0
- -1.1229 0.0435 -0.2672 C 0 0 0
- 1.6280 0.4517 -0.0698 C 0 0 0
- 2.0151 -1.9511 -0.2672 C 0 0 0
- -2.4691 -0.1357 -0.3646 N 0 0 0
- -0.5978 1.3412 -0.1186 C 0 0 0
- 0.7395 1.5439 -0.0200 C 0 0 0
- 3.0149 0.6463 0.0264 C 0 0 0
- 1.5359 -3.2490 -0.4132 N 0 0 0
- 3.3719 -1.7165 -0.1690 C 0 0 0
- -3.0573 -1.0172 0.3710 N 0 0 0
- -1.6927 2.7205 -0.0604 S 0 0 0
- 3.8593 -0.4226 -0.0233 C 0 0 0
- -4.4091 -1.1971 0.2732 C 0 0 0
- -0.9664 3.8133 -0.6059 O 0 0 0
- -2.9421 2.2422 -0.5396 O 0 0 0
- -1.9157 3.0629 1.4057 O 0 0 0
- 5.5973 -0.1600 0.0984 S 0 0 0
- -5.0496 -2.1509 1.0684 C 0 0 0
- -5.1577 -0.4239 -0.6184 C 0 0 0
- 6.1993 -1.2068 -0.6507 O 0 0 0
- 5.7945 1.2294 -0.1247 O 0 0 0
- 5.9945 -0.4068 1.5468 O 0 0 0
- -6.4137 -2.3269 0.9642 C 0 0 0
- -6.5207 -0.6110 -0.7116 C 0 0 0
- -7.1476 -1.5617 0.0751 C 0 0 0
- -1.1592 -3.2630 0.0000 H 0 0 0
- 1.1097 2.5020 0.0000 H 0 0 0
- 3.3972 1.5997 0.0000 H 0 0 0
- 0.5235 -3.4227 0.0000 H 0 0 0
- 2.1925 -4.0389 0.0000 H 0 0 0
- 4.0264 -2.5081 0.0000 H 0 0 0
- -2.4763 3.9236 0.0000 H 0 0 0
- -4.5093 -3.0245 0.0000 H 0 0 0
- -4.8224 0.5470 0.0000 H 0 0 0
- 6.8670 -0.9489 0.0000 H 0 0 0
- -6.7553 -3.2956 0.0000 H 0 0 0
- -7.0682 0.2581 0.0000 H 0 0 0
- -8.1705 -1.6548 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 14 2 0
- 19 14 1 0
- 20 15 1 0
- 21 16 2 0
- 22 16 1 0
- 23 20 2 0
- 24 20 2 0
- 25 20 1 0
- 26 21 1 0
- 27 22 2 0
- 28 26 2 0
- 8 9 1 0
- 12 15 1 0
- 27 28 1 0
- 1 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 19 35 1 0
- 21 36 1 0
- 22 37 1 0
- 25 38 1 0
- 26 39 1 0
- 27 40 1 0
- 28 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3717-88-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 57 1 V2000
- -1.0640 0.1704 -0.7102 C 0 0 0
- -2.3860 0.1961 -0.9702 O 0 0 0
- -0.4325 1.2077 -0.6702 O 0 0 0
- -0.3852 -1.1157 -0.4683 C 0 0 0
- -3.0557 1.4633 -1.2025 C 0 0 0
- 0.9912 -1.1475 -0.1972 C 0 0 0
- -1.1086 -2.3085 -0.5018 C 0 0 0
- -4.5408 1.2133 -1.4721 C 0 0 0
- 1.6160 -2.3829 0.0302 C 0 0 0
- 1.7136 -0.0120 -0.1531 O 0 0 0
- -0.4784 -3.5177 -0.2755 C 0 0 0
- -5.1439 0.5464 -0.3104 N 0 0 0
- 3.0652 -2.3958 0.3139 C 0 0 0
- 0.8762 -3.5633 -0.0125 C 0 0 0
- 3.0308 -0.0082 0.1039 C 0 0 0
- -6.5595 0.3370 -0.6325 C 0 0 0
- -5.0858 1.5017 0.8011 C 0 0 0
- 3.6622 -3.4395 0.5192 O 0 0 0
- 3.7335 -1.1489 0.3376 C 0 0 0
- 3.7449 1.2840 0.1326 C 0 0 0
- -7.2608 -0.3512 0.5402 C 0 0 0
- -5.7059 0.8776 2.0528 C 0 0 0
- 5.2123 -1.0853 0.6210 C 0 0 0
- 4.3116 1.7983 -1.0355 C 0 0 0
- 3.8516 2.0003 1.3270 C 0 0 0
- -7.1765 0.5495 1.7764 C 0 0 0
- 4.9773 3.0061 -1.0014 C 0 0 0
- 4.5200 3.2065 1.3465 C 0 0 0
- 5.0842 3.7075 0.1863 C 0 0 0
- -2.1087 1.8412 0.0000 H 0 0 0
- -3.3308 2.4451 0.0000 H 0 0 0
- -2.1277 -2.2755 0.0000 H 0 0 0
- -4.4047 2.2238 0.0000 H 0 0 0
- -5.4656 1.6425 0.0000 H 0 0 0
- -1.0217 -4.3805 0.0000 H 0 0 0
- 1.3548 -4.4636 0.0000 H 0 0 0
- -6.3900 1.3424 0.0000 H 0 0 0
- -7.4634 0.8087 0.0000 H 0 0 0
- -4.0913 1.7266 0.0000 H 0 0 0
- -5.5795 2.3938 0.0000 H 0 0 0
- -8.2608 -0.5502 0.0000 H 0 0 0
- -6.7844 -1.2526 0.0000 H 0 0 0
- -5.8223 -0.1353 0.0000 H 0 0 0
- -4.7870 0.4357 0.0000 H 0 0 0
- 5.2561 -2.1040 0.0000 H 0 0 0
- 6.2310 -1.0415 0.0000 H 0 0 0
- 5.1685 -0.0666 0.0000 H 0 0 0
- 5.1116 1.1661 0.0000 H 0 0 0
- 2.8860 2.3277 0.0000 H 0 0 0
- -7.2937 1.5623 0.0000 H 0 0 0
- -8.1960 0.5383 0.0000 H 0 0 0
- 5.9427 2.6781 0.0000 H 0 0 0
- 3.7242 3.8439 0.0000 H 0 0 0
- 5.5712 4.6033 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 2 0
- 4 1 1 0
- 5 2 1 0
- 6 4 2 0
- 7 4 1 0
- 8 5 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 2 0
- 12 8 1 0
- 13 9 1 0
- 14 9 2 0
- 15 10 1 0
- 16 12 1 0
- 17 12 1 0
- 18 13 2 0
- 19 13 1 0
- 20 15 1 0
- 21 16 1 0
- 22 17 1 0
- 23 19 1 0
- 24 20 2 0
- 25 20 1 0
- 26 21 1 0
- 27 24 1 0
- 28 25 2 0
- 29 27 2 0
- 11 14 1 0
- 15 19 2 0
- 22 26 1 0
- 28 29 1 0
- 5 30 1 0
- 5 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 11 35 1 0
- 14 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 25 49 1 0
- 26 50 1 0
- 26 51 1 0
- 27 52 1 0
- 28 53 1 0
- 29 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3761-53-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 47 1 V2000
- -1.6368 -0.6580 -0.4269 N 0 0 0
- -2.6580 -0.4617 0.3364 N 0 0 0
- -0.5384 0.1331 -0.3090 C 0 0 0
- -3.7990 -1.1910 0.1523 C 0 0 0
- 0.7982 -0.4529 -0.2132 C 0 0 0
- -0.6602 1.5252 -0.2823 C 0 0 0
- -4.9467 -0.8986 0.8942 C 0 0 0
- -3.8256 -2.2293 -0.7833 C 0 0 0
- 1.9160 0.4078 -0.0915 C 0 0 0
- 0.9913 -1.8387 -0.2390 C 0 0 0
- -1.8871 2.0967 -0.3745 O 0 0 0
- 0.4717 2.3298 -0.1611 C 0 0 0
- -4.9300 0.2225 1.9012 C 0 0 0
- -6.0945 -1.6390 0.7029 C 0 0 0
- -4.9805 -2.9608 -0.9635 C 0 0 0
- 1.7199 1.8002 -0.0648 C 0 0 0
- 3.2029 -0.1487 0.0009 C 0 0 0
- 2.2541 -2.3452 -0.1467 C 0 0 0
- 0.2791 4.0810 -0.1310 S 0 0 0
- -6.1115 -2.6691 -0.2209 C 0 0 0
- 3.3555 -1.5018 -0.0278 C 0 0 0
- 1.5940 4.6153 -0.2002 O 0 0 0
- -0.7747 4.3691 -1.0398 O 0 0 0
- -0.2482 4.4572 1.2463 O 0 0 0
- -7.3697 -3.4733 -0.4239 C 0 0 0
- 4.9711 -2.1955 0.0885 S 0 0 0
- 4.9211 -3.4146 -0.6399 O 0 0 0
- 5.8702 -1.1240 -0.1620 O 0 0 0
- 5.1932 -2.5907 1.5414 O 0 0 0
- -2.9373 -2.7331 0.0000 H 0 0 0
- 0.1870 -2.4680 0.0000 H 0 0 0
- -2.8129 2.5279 0.0000 H 0 0 0
- -3.9089 0.2073 0.0000 H 0 0 0
- -4.9148 1.2436 0.0000 H 0 0 0
- -5.9511 0.2377 0.0000 H 0 0 0
- -6.9872 -1.1429 0.0000 H 0 0 0
- -4.8217 -3.9696 0.0000 H 0 0 0
- 2.5300 2.4221 0.0000 H 0 0 0
- 4.0236 0.4591 0.0000 H 0 0 0
- 2.3926 -3.3570 0.0000 H 0 0 0
- -1.0796 5.0503 0.0000 H 0 0 0
- -7.9197 -2.6128 0.0000 H 0 0 0
- -8.2302 -4.0233 0.0000 H 0 0 0
- -6.8197 -4.3338 0.0000 H 0 0 0
- 5.6935 -3.4810 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 7 1 0
- 15 8 2 0
- 16 9 2 0
- 17 9 1 0
- 18 10 2 0
- 19 12 1 0
- 20 14 2 0
- 21 17 2 0
- 22 19 2 0
- 23 19 2 0
- 24 19 1 0
- 25 20 1 0
- 26 21 1 0
- 27 26 2 0
- 28 26 2 0
- 29 26 1 0
- 12 16 1 0
- 15 20 1 0
- 18 21 1 0
- 8 30 1 0
- 10 31 1 0
- 11 32 1 0
- 13 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 24 41 1 0
- 25 42 1 0
- 25 43 1 0
- 25 44 1 0
- 29 45 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4080-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 32 1 V2000
- -0.7543 -1.4578 0.0374 C 0 0 0
- -1.9119 -0.5522 0.3700 C 0 0 0
- 0.4883 -0.6746 0.0109 N 0 3 0
- -2.9975 -0.5784 -0.3656 C 0 0 0
- 1.6252 -1.5426 -0.3012 C 0 0 0
- 0.3997 0.3778 -1.0029 C 0 0 0
- 0.7142 -0.0428 1.3121 C 0 0 0
- -4.3311 0.4649 0.0175 Cl 0 0 0
- 2.8690 -0.7747 -0.3209 N 0 0 0
- 1.6282 1.1698 -1.0314 N 0 0 0
- 1.9441 0.7473 1.2942 N 0 0 0
- 3.0497 -0.1557 0.9885 C 0 0 0
- 2.7456 0.2777 -1.3247 C 0 0 0
- 1.8298 1.7561 0.2899 C 0 0 0
- -1.5069 -2.2205 0.0000 H 0 0 0
- -0.0828 -2.2928 0.0000 H 0 0 0
- -1.5750 0.4650 0.0000 H 0 0 0
- -3.3344 -1.5956 0.0000 H 0 0 0
- 0.8763 -2.3089 0.0000 H 0 0 0
- 2.2948 -2.3791 0.0000 H 0 0 0
- -0.0272 1.3606 0.0000 H 0 0 0
- -0.6393 0.1160 0.0000 H 0 0 0
- 0.4323 0.9910 0.0000 H 0 0 0
- -0.3565 -0.0015 0.0000 H 0 0 0
- 4.0291 -0.5903 0.0000 H 0 0 0
- 3.6109 0.7571 0.0000 H 0 0 0
- 3.8056 0.1210 0.0000 H 0 0 0
- 3.1730 1.2603 0.0000 H 0 0 0
- 2.7760 2.2589 0.0000 H 0 0 0
- 1.0150 2.4519 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 2 0
- 5 3 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 5 1 0
- 10 6 1 0
- 11 7 1 0
- 12 9 1 0
- 13 9 1 0
- 14 10 1 0
- 11 12 1 0
- 10 13 1 0
- 11 14 1 0
- 1 15 1 0
- 1 16 1 0
- 2 17 1 0
- 4 18 1 0
- 5 19 1 0
- 5 20 1 0
- 6 21 1 0
- 6 22 1 0
- 7 23 1 0
- 7 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4213-45-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 60 1 V2000
- 2.2496 -0.3323 0.0047 C 0 0 0
- 3.5877 -0.7761 0.0005 C 0 0 0
- 2.0165 1.0446 -0.1639 C 0 0 0
- 1.2046 -1.2187 0.1630 N 0 0 0
- 4.6435 0.1564 -0.1700 C 0 0 0
- 3.8849 -2.1411 0.1650 C 0 0 0
- 3.1606 1.9427 -0.3340 C 0 0 0
- 0.7173 1.5792 -0.1737 C 0 0 0
- 0.6144 -0.9447 1.4801 C 0 0 0
- 4.3992 1.4577 -0.3282 N 0 0 0
- 5.9743 -0.3133 -0.1701 C 0 0 0
- 5.1845 -2.5560 0.1592 C 0 0 0
- 2.9139 3.3196 -0.5019 C 0 0 0
- 0.5462 2.9183 -0.3407 C 0 0 0
- -0.8025 -1.5195 1.5336 C 0 0 0
- 1.4705 -1.5961 2.5680 C 0 0 0
- 6.2269 -1.6378 -0.0088 C 0 0 0
- 5.4699 -3.8756 0.3189 O 0 0 0
- 1.6328 3.7773 -0.5022 C 0 0 0
- -1.7644 -0.5729 0.8128 C 0 0 0
- 6.8927 -3.9995 0.2693 C 0 0 0
- 1.3429 5.4764 -0.7095 Cl 0 0 0
- -3.1813 -1.1477 0.8663 C 0 0 0
- -4.1049 -0.2389 0.1742 N 0 0 0
- -4.3250 -0.8003 -1.1653 C 0 0 0
- -5.3889 -0.3218 0.8829 C 0 0 0
- -4.9365 -2.1971 -1.0387 C 0 0 0
- -6.1485 0.9960 0.7179 C 0 0 0
- -5.2066 -2.8862 -2.6828 Cl 0 0 0
- -7.7245 0.8943 1.5878 Cl 0 0 0
- 1.3440 -2.2497 0.0000 H 0 0 0
- 3.1153 -2.8411 0.0000 H 0 0 0
- -0.1085 0.9465 0.0000 H 0 0 0
- 0.6400 0.0953 0.0000 H 0 0 0
- 6.7633 0.3648 0.0000 H 0 0 0
- 3.7079 3.9918 0.0000 H 0 0 0
- -0.4171 3.3113 0.0000 H 0 0 0
- -1.6260 -2.1552 0.0000 H 0 0 0
- -0.2843 -2.4216 0.0000 H 0 0 0
- 0.8405 -2.4240 0.0000 H 0 0 0
- 2.2984 -2.2261 0.0000 H 0 0 0
- 2.1005 -0.7682 0.0000 H 0 0 0
- 7.2111 -1.9750 0.0000 H 0 0 0
- -0.9409 0.0628 0.0000 H 0 0 0
- -2.2826 0.3292 0.0000 H 0 0 0
- 6.8024 -5.0359 0.0000 H 0 0 0
- 7.9291 -4.0898 0.0000 H 0 0 0
- 6.9830 -2.9631 0.0000 H 0 0 0
- -4.0048 -1.7835 0.0000 H 0 0 0
- -2.6631 -2.0498 0.0000 H 0 0 0
- -3.6974 -1.6300 0.0000 H 0 0 0
- -3.2944 -0.6583 0.0000 H 0 0 0
- -6.3588 -0.6981 0.0000 H 0 0 0
- -5.1646 -1.3377 0.0000 H 0 0 0
- -5.5641 -1.3674 0.0000 H 0 0 0
- -5.9671 -2.3392 0.0000 H 0 0 0
- -5.1786 1.3723 0.0000 H 0 0 0
- -6.3728 2.0119 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 15 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 7 10 1 0
- 12 17 1 0
- 14 19 1 0
- 4 31 1 0
- 6 32 1 0
- 8 33 1 0
- 9 34 1 0
- 11 35 1 0
- 13 36 1 0
- 14 37 1 0
- 15 38 1 0
- 15 39 1 0
- 16 40 1 0
- 16 41 1 0
- 16 42 1 0
- 17 43 1 0
- 20 44 1 0
- 20 45 1 0
- 21 46 1 0
- 21 47 1 0
- 21 48 1 0
- 23 49 1 0
- 23 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 27 55 1 0
- 27 56 1 0
- 28 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4335-09-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 83 1 V2000
- 1.2149 -0.5206 -0.0390 O 0 0 0
- 1.7033 0.7433 -0.0487 C 0 0 0
- 3.0878 0.9708 0.0440 C 0 0 0
- 0.8367 1.8344 -0.1567 C 0 0 0
- 3.5809 2.2997 0.0318 C 0 0 0
- 3.9929 -0.1053 0.1493 C 0 0 0
- -0.5055 1.6274 -0.2519 N 0 0 0
- 1.3459 3.1457 -0.1671 C 0 0 0
- 2.6805 3.3757 -0.0733 C 0 0 0
- 4.9663 2.5301 0.1253 C 0 0 0
- 3.5308 -1.4094 0.1634 N 0 0 0
- 5.3636 0.1608 0.2401 C 0 0 0
- -1.0962 0.8351 0.5772 N 0 0 0
- 0.2367 4.5078 -0.3047 S 0 0 0
- 5.8300 1.4881 0.2269 C 0 0 0
- 6.2485 -0.8677 0.3427 N 0 0 0
- -2.4422 0.6275 0.4818 C 0 0 0
- 0.9620 5.5304 -0.9737 O 0 0 0
- -0.9991 3.9571 -0.7393 O 0 0 0
- -0.0163 5.0325 1.1014 O 0 0 0
- 7.5600 1.8020 0.3421 S 0 0 0
- 7.1819 -1.0057 -0.5369 N 0 0 0
- -3.0837 -0.2317 1.3805 C 0 0 0
- -3.1824 1.2783 -0.5112 C 0 0 0
- 7.6817 3.0603 0.9909 O 0 0 0
- 8.1440 0.5862 0.7893 O 0 0 0
- 8.0792 2.0143 -1.0727 O 0 0 0
- 8.0710 -2.0391 -0.4338 C 0 0 0
- -4.4408 -0.4377 1.2811 C 0 0 0
- -4.5289 1.0719 -0.6075 C 0 0 0
- 9.0834 -2.1917 -1.3847 C 0 0 0
- 7.9752 -2.9447 0.6265 C 0 0 0
- -5.1722 0.2111 0.2842 C 0 0 0
- 9.9768 -3.2368 -1.2741 C 0 0 0
- 8.8755 -3.9846 0.7240 C 0 0 0
- -6.6326 -0.0096 0.1759 C 0 0 0
- 9.8722 -4.1328 -0.2249 C 0 0 0
- -7.4792 1.0595 -0.1241 C 0 0 0
- -7.1610 -1.2877 0.3682 C 0 0 0
- 10.8348 -5.2516 -0.1133 N 0 3 0
- -8.8362 0.8529 -0.2249 C 0 0 0
- -8.5070 -1.4958 0.2689 C 0 0 0
- 10.7456 -6.0420 0.8091 O 0 0 0
- 11.7162 -5.3819 -0.9438 O 0 5 0
- -9.3620 -0.4283 -0.0261 C 0 0 0
- -10.7074 -0.6376 -0.1247 N 0 0 0
- -11.1915 -1.8192 0.0586 N 0 0 0
- -12.5365 -2.0284 -0.0400 C 0 0 0
- -13.0638 -3.3086 0.1584 C 0 0 0
- -13.3930 -0.9619 -0.3341 C 0 0 0
- -14.4219 -3.5147 0.0578 C 0 0 0
- -14.7492 -1.1781 -0.4326 C 0 0 0
- -15.2679 -2.4533 -0.2402 C 0 0 0
- -16.6060 -2.6616 -0.3388 O 0 0 0
- 0.8467 -1.4734 0.0000 H 0 0 0
- 3.0324 4.3347 0.0000 H 0 0 0
- 5.3232 3.4872 0.0000 H 0 0 0
- 2.5264 -1.5954 0.0000 H 0 0 0
- 4.1941 -2.1863 0.0000 H 0 0 0
- -0.4600 5.9526 0.0000 H 0 0 0
- -2.5585 -1.1078 0.0000 H 0 0 0
- -2.8956 2.2587 0.0000 H 0 0 0
- 9.0247 2.4009 0.0000 H 0 0 0
- -4.7304 -1.4173 0.0000 H 0 0 0
- -5.0546 1.9478 0.0000 H 0 0 0
- 9.5790 -1.2985 0.0000 H 0 0 0
- 7.0006 -3.2506 0.0000 H 0 0 0
- 10.9540 -2.9393 0.0000 H 0 0 0
- 8.3836 -4.8799 0.0000 H 0 0 0
- -7.1051 2.0100 0.0000 H 0 0 0
- -6.5298 -2.0908 0.0000 H 0 0 0
- -9.4675 1.6560 0.0000 H 0 0 0
- -8.8774 -2.4478 0.0000 H 0 0 0
- -12.4332 -4.1122 0.0000 H 0 0 0
- -13.0255 -0.0088 0.0000 H 0 0 0
- -14.7947 -4.4657 0.0000 H 0 0 0
- -15.3846 -0.3782 0.0000 H 0 0 0
- -17.6153 -2.8187 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 12 1 0
- 17 13 1 0
- 18 14 2 0
- 19 14 2 0
- 20 14 1 0
- 21 15 1 0
- 22 16 2 0
- 23 17 2 0
- 24 17 1 0
- 25 21 2 0
- 26 21 2 0
- 27 21 1 0
- 28 22 1 0
- 29 23 1 0
- 30 24 2 0
- 31 28 2 0
- 32 28 1 0
- 33 29 2 0
- 34 31 1 0
- 35 32 2 0
- 36 33 1 0
- 37 34 2 0
- 38 36 2 0
- 39 36 1 0
- 40 37 1 0
- 41 38 1 0
- 42 39 2 0
- 43 40 2 0
- 44 40 1 0
- 45 41 2 0
- 46 45 1 0
- 47 46 2 0
- 48 47 1 0
- 49 48 2 0
- 50 48 1 0
- 51 49 1 0
- 52 50 2 0
- 53 51 2 0
- 54 53 1 0
- 8 9 1 0
- 12 15 1 0
- 30 33 1 0
- 35 37 1 0
- 42 45 1 0
- 52 53 1 0
- 1 55 1 0
- 9 56 1 0
- 10 57 1 0
- 11 58 1 0
- 11 59 1 0
- 20 60 1 0
- 23 61 1 0
- 24 62 1 0
- 27 63 1 0
- 29 64 1 0
- 30 65 1 0
- 31 66 1 0
- 32 67 1 0
- 34 68 1 0
- 35 69 1 0
- 38 70 1 0
- 39 71 1 0
- 41 72 1 0
- 42 73 1 0
- 49 74 1 0
- 50 75 1 0
- 51 76 1 0
- 52 77 1 0
- 54 78 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-477-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 46 1 V2000
- -4.7936 0.2971 -0.0039 N 0 0 0
- -3.5756 -0.3634 -0.0032 C 0 0 0
- -2.4020 0.3732 -0.0022 C 0 0 0
- -3.5527 -1.7660 0.0022 C 0 0 0
- -1.1796 -0.2840 -0.0015 C 0 0 0
- -4.8545 -2.5251 0.0071 C 0 0 0
- -2.3843 -2.4527 0.0026 C 0 0 0
- -0.0003 0.4168 -0.0010 N 0 3 0
- -1.1556 -1.7494 -0.0020 C 0 0 0
- 1.1783 -0.2858 -0.0009 C 0 0 0
- 0.0006 1.8129 0.0000 C 0 0 0
- -0.0023 -2.4039 -0.0019 N 0 0 0
- 1.1522 -1.7508 -0.0014 C 0 0 0
- 2.4015 0.3698 0.0000 C 0 0 0
- 0.0035 2.5087 1.2031 C 0 0 0
- 0.0045 2.5106 -1.2025 C 0 0 0
- 2.3798 -2.4558 -0.0008 C 0 0 0
- 3.5741 -0.3682 0.0005 C 0 0 0
- 0.0049 3.8896 1.2001 C 0 0 0
- 0.0060 3.8911 -1.1975 C 0 0 0
- 3.5492 -1.7707 0.0001 C 0 0 0
- 4.7930 0.2907 0.0009 N 0 0 0
- 0.0035 4.5802 0.0020 C 0 0 0
- 4.8500 -2.5317 0.0012 C 0 0 0
- -4.8213 1.3359 0.0000 H 0 0 0
- -5.6794 -0.2463 0.0000 H 0 0 0
- -2.4369 1.4118 0.0000 H 0 0 0
- -5.3780 -1.6274 0.0000 H 0 0 0
- -5.7522 -3.0486 0.0000 H 0 0 0
- -4.3310 -3.4228 0.0000 H 0 0 0
- -2.3903 -3.4919 0.0000 H 0 0 0
- 2.4377 1.4083 0.0000 H 0 0 0
- 1.0427 2.5060 0.0000 H 0 0 0
- 1.0437 2.5071 0.0000 H 0 0 0
- 2.3843 -3.4950 0.0000 H 0 0 0
- 1.0441 3.8901 0.0000 H 0 0 0
- 1.0452 3.8924 0.0000 H 0 0 0
- 5.6780 -0.2539 0.0000 H 0 0 0
- 4.8221 1.3295 0.0000 H 0 0 0
- 0.0006 5.6194 0.0000 H 0 0 0
- 4.3253 -3.4287 0.0000 H 0 0 0
- 5.7470 -3.0564 0.0000 H 0 0 0
- 5.3747 -1.6347 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 1 0
- 7 4 2 0
- 8 5 2 0
- 9 5 1 0
- 10 8 1 0
- 11 8 1 0
- 12 9 2 0
- 13 10 2 0
- 14 10 1 0
- 15 11 2 0
- 16 11 1 0
- 17 13 1 0
- 18 14 2 0
- 19 15 1 0
- 20 16 2 0
- 21 17 2 0
- 22 18 1 0
- 23 19 2 0
- 24 21 1 0
- 7 9 1 0
- 12 13 1 0
- 18 21 1 0
- 20 23 1 0
- 1 25 1 0
- 1 26 1 0
- 3 27 1 0
- 6 28 1 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 19 36 1 0
- 20 37 1 0
- 22 38 1 0
- 22 39 1 0
- 23 40 1 0
- 24 41 1 0
- 24 42 1 0
- 24 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5407-04-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -1.1802 -0.6521 0.1615 C 0 0 0
- -2.3254 0.0868 -0.3867 N 0 0 0
- 0.1167 0.0723 -0.2048 C 0 0 0
- -3.5318 -0.6576 -0.0012 C 0 0 0
- -2.3776 1.3719 0.3232 C 0 0 0
- 1.3094 -0.6973 0.3661 C 0 0 0
- 2.8377 0.1564 -0.0656 Cl 0 0 0
- -1.8943 -1.4407 0.0000 H 0 0 0
- -0.5177 -1.4845 0.0000 H 0 0 0
- 0.8308 0.8609 0.0000 H 0 0 0
- -0.5458 0.9048 0.0000 H 0 0 0
- -4.0905 0.2478 0.0000 H 0 0 0
- -4.4372 -1.2163 0.0000 H 0 0 0
- -2.9731 -1.5630 0.0000 H 0 0 0
- -1.3146 1.4151 0.0000 H 0 0 0
- -2.4208 2.4349 0.0000 H 0 0 0
- -3.4406 1.3287 0.0000 H 0 0 0
- 0.5953 -1.4859 0.0000 H 0 0 0
- 1.9719 -1.5297 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 6 1 0
- 1 8 1 0
- 1 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 6 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-569-61-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 0.0000 -0.0241 -0.0048 C 0 0 0
- -1.2723 0.7110 0.0012 C 0 0 0
- 1.2729 0.7102 -0.0068 C 0 0 0
- -0.0004 -1.4320 -0.0029 C 0 0 0
- -1.9006 1.0183 1.2157 C 0 0 0
- -1.8582 1.1121 -1.2075 C 0 0 0
- 1.9081 1.0122 -1.2190 C 0 0 0
- 1.8523 1.1157 1.2035 C 0 0 0
- 1.2154 -2.1376 0.1387 C 0 0 0
- -1.2174 -2.1372 -0.1368 C 0 0 0
- -3.0827 1.7020 1.2166 C 0 0 0
- -3.0401 1.7953 -1.1971 C 0 0 0
- 3.0906 1.6952 -1.2161 C 0 0 0
- 3.0347 1.7982 1.1970 C 0 0 0
- 1.2173 -3.4911 0.1408 C 0 0 0
- -1.2202 -3.4907 -0.1353 C 0 0 0
- -3.6641 2.0941 0.0127 C 0 0 0
- 3.6656 2.0917 -0.0106 C 0 0 0
- -0.0013 -4.2004 0.0008 C 0 0 0
- -4.8673 2.7893 0.0185 N 0 0 0
- 4.8692 2.7861 -0.0124 N 0 0 0
- -0.0017 -5.5263 0.0022 N 0 0 0
- -2.3821 0.1147 0.0000 H 0 0 0
- -1.3124 1.9784 0.0000 H 0 0 0
- 2.3844 0.1058 0.0000 H 0 0 0
- 1.3023 1.9793 0.0000 H 0 0 0
- 2.1023 -1.6260 0.0000 H 0 0 0
- -2.1040 -1.6250 0.0000 H 0 0 0
- -3.6256 0.8339 0.0000 H 0 0 0
- -2.5624 2.7009 0.0000 H 0 0 0
- 3.6377 0.8297 0.0000 H 0 0 0
- 2.5624 2.7066 0.0000 H 0 0 0
- 2.1053 -4.0009 0.0000 H 0 0 0
- -2.1084 -4.0001 0.0000 H 0 0 0
- -4.8670 3.8132 0.0000 H 0 0 0
- -5.7542 2.2776 0.0000 H 0 0 0
- 5.7558 2.2739 0.0000 H 0 0 0
- 4.8695 3.8100 0.0000 H 0 0 0
- -0.0020 -6.5502 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 2 0
- 5 2 2 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 9 4 1 0
- 10 4 1 0
- 11 5 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 10 2 0
- 17 11 2 0
- 18 13 2 0
- 19 15 1 0
- 20 17 1 0
- 21 18 1 0
- 22 19 2 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 5 23 1 0
- 6 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 20 35 1 0
- 20 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-573-58-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 75 1 V2000
- 9.7081 -2.0036 0.6882 S 0 0 0
- 10.5068 -1.6452 1.8075 O 0 0 0
- 10.1848 -2.6263 -0.4968 O 0 0 0
- 8.6240 -2.9235 1.2315 O 0 0 0
- 8.9226 -0.5158 0.1646 C 0 0 0
- 9.7035 0.5807 -0.2510 C 0 0 0
- 7.5692 -0.4331 0.1581 C 0 0 0
- 9.0702 1.7762 -0.6718 C 0 0 0
- 11.1058 0.5084 -0.2559 C 0 0 0
- 6.9180 0.7444 -0.2559 C 0 0 0
- 7.6617 1.8538 -0.6683 C 0 0 0
- 9.8551 2.8645 -1.0850 C 0 0 0
- 11.8363 1.5836 -0.6631 C 0 0 0
- 5.5585 0.8031 -0.2541 N 0 0 0
- 7.0228 3.0135 -1.0754 N 0 0 0
- 11.2131 2.7585 -1.0766 C 0 0 0
- 4.8693 -0.2189 0.1264 N 0 0 0
- 3.5054 -0.1601 0.1283 C 0 0 0
- 2.7573 -1.2680 0.5408 C 0 0 0
- 2.8544 1.0102 -0.2769 C 0 0 0
- 1.3825 -1.2043 0.5415 C 0 0 0
- 1.4902 1.0705 -0.2751 C 0 0 0
- 0.7396 -0.0348 0.1308 C 0 0 0
- -0.7397 0.0352 0.1306 C 0 0 0
- -1.3827 1.2044 0.5419 C 0 0 0
- -1.4899 -1.0662 -0.2863 C 0 0 0
- -2.7575 1.2682 0.5408 C 0 0 0
- -2.8542 -1.0059 -0.2885 C 0 0 0
- -3.5055 0.1605 0.1273 C 0 0 0
- -4.8694 0.2193 0.1251 N 0 0 0
- -5.5584 -0.8024 -0.2562 N 0 0 0
- -6.9180 -0.7438 -0.2584 C 0 0 0
- -7.6613 -1.8525 -0.6722 C 0 0 0
- -7.5694 0.4318 0.1618 C 0 0 0
- -7.0222 -3.0117 -1.0804 N 0 0 0
- -9.0703 -1.7776 -0.6688 C 0 0 0
- -8.9226 0.5141 0.1689 C 0 0 0
- -9.7035 -0.5827 -0.2471 C 0 0 0
- -9.8551 -2.8677 -1.0771 C 0 0 0
- -9.7084 1.9989 0.7003 S 0 0 0
- -11.1059 -0.5126 -0.2458 C 0 0 0
- -11.2133 -2.7640 -1.0629 C 0 0 0
- -10.4587 2.4592 -0.4152 O 0 0 0
- -10.2387 1.7157 1.9878 O 0 0 0
- -8.6175 3.0370 0.9216 O 0 0 0
- -11.8366 -1.5895 -0.6484 C 0 0 0
- 7.8545 -3.5764 0.0000 H 0 0 0
- 7.0303 -1.2863 0.0000 H 0 0 0
- 11.5550 -0.3953 0.0000 H 0 0 0
- 9.4307 3.7801 0.0000 H 0 0 0
- 12.8440 1.5286 0.0000 H 0 0 0
- 7.5448 3.8772 0.0000 H 0 0 0
- 6.0138 3.0337 0.0000 H 0 0 0
- 11.7666 3.6024 0.0000 H 0 0 0
- 3.2101 -2.1699 0.0000 H 0 0 0
- 3.3850 1.8686 0.0000 H 0 0 0
- 0.8488 -2.0608 0.0000 H 0 0 0
- 1.0376 1.9725 0.0000 H 0 0 0
- -0.8490 2.0609 0.0000 H 0 0 0
- -1.0380 -1.9685 0.0000 H 0 0 0
- -3.2103 2.1701 0.0000 H 0 0 0
- -3.3841 -1.8647 0.0000 H 0 0 0
- -7.0310 1.2853 0.0000 H 0 0 0
- -7.5439 -3.8755 0.0000 H 0 0 0
- -6.0132 -3.0316 0.0000 H 0 0 0
- -9.4295 -3.7828 0.0000 H 0 0 0
- -11.5560 0.3906 0.0000 H 0 0 0
- -11.7660 -3.6084 0.0000 H 0 0 0
- -7.8864 3.7327 0.0000 H 0 0 0
- -12.8443 -1.5349 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 2 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 8 2 0
- 12 8 1 0
- 13 9 2 0
- 14 10 1 0
- 15 11 1 0
- 16 12 2 0
- 17 14 2 0
- 18 17 1 0
- 19 18 2 0
- 20 18 1 0
- 21 19 1 0
- 22 20 2 0
- 23 21 2 0
- 24 23 1 0
- 25 24 2 0
- 26 24 1 0
- 27 25 1 0
- 28 26 2 0
- 29 27 2 0
- 30 29 1 0
- 31 30 2 0
- 32 31 1 0
- 33 32 2 0
- 34 32 1 0
- 35 33 1 0
- 36 33 1 0
- 37 34 2 0
- 38 36 2 0
- 39 36 1 0
- 40 37 1 0
- 41 38 1 0
- 42 39 2 0
- 43 40 2 0
- 44 40 2 0
- 45 40 1 0
- 46 41 2 0
- 10 11 1 0
- 13 16 1 0
- 22 23 1 0
- 28 29 1 0
- 37 38 1 0
- 42 46 1 0
- 4 47 1 0
- 7 48 1 0
- 9 49 1 0
- 12 50 1 0
- 13 51 1 0
- 15 52 1 0
- 15 53 1 0
- 16 54 1 0
- 19 55 1 0
- 20 56 1 0
- 21 57 1 0
- 22 58 1 0
- 25 59 1 0
- 26 60 1 0
- 27 61 1 0
- 28 62 1 0
- 34 63 1 0
- 35 64 1 0
- 35 65 1 0
- 39 66 1 0
- 41 67 1 0
- 42 68 1 0
- 45 69 1 0
- 46 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 42 1 V2000
- -0.1366 -0.1580 -0.5736 N 0 0 0
- 0.9899 -0.9744 -0.4765 C 0 0 0
- -0.0824 1.2291 -0.4388 C 0 0 0
- -1.4345 -0.7851 -0.8349 C 0 0 0
- 2.1021 -0.5982 0.2669 C 0 0 0
- 0.9878 -2.1932 -1.1457 C 0 0 0
- 0.9090 1.8515 0.3095 C 0 0 0
- -1.0518 1.9977 -1.0744 C 0 0 0
- -2.2089 -0.9205 0.4777 C 0 0 0
- 2.1596 0.9305 1.1323 S 0 0 0
- 3.2017 -1.4483 0.3329 C 0 0 0
- 2.0852 -3.0308 -1.0740 C 0 0 0
- 0.9188 3.2394 0.4144 C 0 0 0
- -1.0328 3.3751 -0.9650 C 0 0 0
- -3.5615 -1.4211 0.1988 N 0 0 0
- -1.4821 -1.9016 1.3997 C 0 0 0
- 3.1916 -2.6577 -0.3353 C 0 0 0
- -0.0479 3.9953 -0.2197 C 0 0 0
- -4.2978 -1.3781 1.4692 C 0 0 0
- -4.1987 -0.4418 -0.6917 C 0 0 0
- -1.6704 -1.6786 0.0000 H 0 0 0
- -0.7215 -1.3729 0.0000 H 0 0 0
- 0.1592 -2.6023 0.0000 H 0 0 0
- -1.8866 1.6013 0.0000 H 0 0 0
- -2.4498 -0.0284 0.0000 H 0 0 0
- 4.0329 -1.0445 0.0000 H 0 0 0
- 1.9349 -3.9426 0.0000 H 0 0 0
- 1.7509 3.6414 0.0000 H 0 0 0
- -1.8387 3.8273 0.0000 H 0 0 0
- -2.2246 -2.4517 0.0000 H 0 0 0
- -0.9320 -2.6441 0.0000 H 0 0 0
- -0.7396 -1.3515 0.0000 H 0 0 0
- 3.9400 -3.1999 0.0000 H 0 0 0
- -0.0010 4.9182 0.0000 H 0 0 0
- -4.2439 -0.4556 0.0000 H 0 0 0
- -5.2203 -1.3242 0.0000 H 0 0 0
- -4.3517 -2.3006 0.0000 H 0 0 0
- -3.4241 0.0622 0.0000 H 0 0 0
- -4.7027 0.3328 0.0000 H 0 0 0
- -4.9733 -0.9458 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 13 18 2 0
- 15 19 1 0
- 15 20 1 0
- 7 10 1 0
- 12 17 2 0
- 14 18 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
- 19 36 1 0
- 19 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-02-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 81 82 1 V2000
- -4.8146 -0.1211 0.3213 C 0 0 0
- -5.8899 0.6508 -0.0735 C 0 0 0
- -3.6017 0.3837 0.6521 O 0 0 0
- -4.9641 -1.5076 0.3975 C 0 0 0
- -5.7923 2.1532 -0.1931 C 0 0 0
- -7.1026 0.0529 -0.3782 C 0 0 0
- -3.3882 1.6331 0.0128 C 0 0 0
- -6.1679 -2.1024 0.0909 C 0 0 0
- -3.7962 -2.3616 0.8190 C 0 0 0
- -4.4819 2.6142 0.4557 C 0 0 0
- -7.2470 -1.3219 -0.2975 C 0 0 0
- -8.2721 0.9048 -0.7998 C 0 0 0
- -2.0163 2.1828 0.4085 C 0 0 0
- -3.4474 1.4483 -1.5049 C 0 0 0
- -6.3130 -3.5999 0.1782 C 0 0 0
- -8.4391 -1.9033 -0.5975 O 0 0 0
- -0.9282 1.1976 -0.0231 C 0 0 0
- 0.4437 1.7474 0.3726 C 0 0 0
- 1.5317 0.7622 -0.0590 C 0 0 0
- 2.9036 1.3119 0.3367 C 0 0 0
- 1.3035 -0.5842 0.6310 C 0 0 0
- 3.9917 0.3267 -0.0949 C 0 0 0
- 5.3636 0.8765 0.3008 C 0 0 0
- 6.4517 -0.1088 -0.1308 C 0 0 0
- 7.8235 0.4410 0.2649 C 0 0 0
- 6.2234 -1.4551 0.5592 C 0 0 0
- 8.9116 -0.5442 -0.1667 C 0 0 0
- 10.2835 0.0056 0.2290 C 0 0 0
- 11.3716 -0.9797 -0.2026 C 0 0 0
- 11.3161 -1.1682 -1.7199 C 0 0 0
- 12.7434 -0.4299 0.1931 C 0 0 0
- -6.0136 3.2236 0.0000 H 0 0 0
- -6.8827 2.0773 0.0000 H 0 0 0
- -4.4413 -3.2439 0.0000 H 0 0 0
- -2.9139 -3.0067 0.0000 H 0 0 0
- -3.1511 -1.4793 0.0000 H 0 0 0
- -3.6269 3.2951 0.0000 H 0 0 0
- -5.0111 3.5706 0.0000 H 0 0 0
- -7.6286 1.7883 0.0000 H 0 0 0
- -9.1556 1.5483 0.0000 H 0 0 0
- -8.9156 0.0213 0.0000 H 0 0 0
- -1.1690 2.8732 0.0000 H 0 0 0
- -2.5711 3.1245 0.0000 H 0 0 0
- -4.4883 1.7817 0.0000 H 0 0 0
- -3.7808 0.4074 0.0000 H 0 0 0
- -2.4065 1.1149 0.0000 H 0 0 0
- -7.4009 -3.4945 0.0000 H 0 0 0
- -6.4184 -4.6878 0.0000 H 0 0 0
- -5.2251 -3.7053 0.0000 H 0 0 0
- -9.4215 -2.3824 0.0000 H 0 0 0
- -1.7755 0.5072 0.0000 H 0 0 0
- -0.3734 0.2559 0.0000 H 0 0 0
- 1.2910 2.4378 0.0000 H 0 0 0
- -0.1111 2.6891 0.0000 H 0 0 0
- 0.4989 0.4044 0.0000 H 0 0 0
- 3.7509 2.0023 0.0000 H 0 0 0
- 2.3488 2.2536 0.0000 H 0 0 0
- 0.2259 -0.4016 0.0000 H 0 0 0
- 1.1209 -1.6618 0.0000 H 0 0 0
- 2.3811 -0.7668 0.0000 H 0 0 0
- 3.1444 -0.3637 0.0000 H 0 0 0
- 4.5465 -0.6150 0.0000 H 0 0 0
- 6.2109 1.5669 0.0000 H 0 0 0
- 4.8088 1.8182 0.0000 H 0 0 0
- 5.4189 -0.4666 0.0000 H 0 0 0
- 8.6708 1.1314 0.0000 H 0 0 0
- 7.2686 1.3827 0.0000 H 0 0 0
- 5.1458 -1.2724 0.0000 H 0 0 0
- 6.0407 -2.5327 0.0000 H 0 0 0
- 7.3010 -1.6378 0.0000 H 0 0 0
- 8.0643 -1.2346 0.0000 H 0 0 0
- 9.4664 -1.4859 0.0000 H 0 0 0
- 11.1308 0.6960 0.0000 H 0 0 0
- 9.7287 0.9473 0.0000 H 0 0 0
- 12.1802 -1.7151 0.0000 H 0 0 0
- 10.2676 -0.8595 0.0000 H 0 0 0
- 11.0074 -2.2167 0.0000 H 0 0 0
- 12.3646 -1.4769 0.0000 H 0 0 0
- 13.1500 -1.4444 0.0000 H 0 0 0
- 13.7579 -0.0233 0.0000 H 0 0 0
- 12.3368 0.5846 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 1 0
- 13 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 28 29 1 0
- 29 30 1 0
- 29 31 1 0
- 7 10 1 0
- 8 11 1 0
- 5 32 1 0
- 5 33 1 0
- 9 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 12 39 1 0
- 12 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 14 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 18 53 1 0
- 18 54 1 0
- 19 55 1 0
- 20 56 1 0
- 20 57 1 0
- 21 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 25 66 1 0
- 25 67 1 0
- 26 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 27 72 1 0
- 28 73 1 0
- 28 74 1 0
- 29 75 1 0
- 30 76 1 0
- 30 77 1 0
- 30 78 1 0
- 31 79 1 0
- 31 80 1 0
- 31 81 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-590-46-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.0242 -0.6129 0.7369 C 0 0 0
- -1.1747 -0.0833 -0.0073 N 0 3 0
- 1.2473 -0.0251 0.1812 C 0 0 0
- -0.8771 -0.1002 -1.4458 C 0 0 0
- -2.3552 -0.9163 0.2583 C 0 0 0
- -1.4422 1.2961 0.4212 C 0 0 0
- 1.3170 1.1599 -0.0441 O 0 0 0
- 2.3023 -0.8180 -0.0635 O 0 0 0
- -0.6364 -1.3907 0.0000 H 0 0 0
- 0.5893 -1.3897 0.0000 H 0 0 0
- -0.9332 -1.0884 0.0000 H 0 0 0
- 0.1111 -0.1563 0.0000 H 0 0 0
- -0.8210 0.8880 0.0000 H 0 0 0
- -2.9259 -0.1076 0.0000 H 0 0 0
- -3.1639 -1.4870 0.0000 H 0 0 0
- -1.7845 -1.7250 0.0000 H 0 0 0
- -0.4705 1.4845 0.0000 H 0 0 0
- -1.6306 2.2678 0.0000 H 0 0 0
- -2.4139 1.1077 0.0000 H 0 0 0
- 3.0935 -1.4127 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 2 1 0
- 7 3 2 0
- 8 3 1 0
- 1 9 1 0
- 1 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 6 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-593-56-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- -0.0865 -0.5311 0.0000 O 0 0 0
- -1.1962 0.3692 0.0000 C 0 0 0
- 1.1243 0.2901 0.0000 N 0 0 0
- -0.5129 1.2114 0.0000 H 0 0 0
- -2.0384 1.0525 0.0000 H 0 0 0
- -1.8795 -0.4730 0.0000 H 0 0 0
- 2.1002 -0.1828 0.0000 H 0 0 0
- 1.0459 1.3718 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61-73-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- -5.1068 0.5051 -0.0015 N 0 0 0
- -6.2426 -0.4202 -0.0014 C 0 0 0
- -5.3403 1.9514 0.0049 C 0 0 0
- -3.8111 0.0122 -0.0017 C 0 0 0
- -2.7367 0.8949 -0.0018 C 0 0 0
- -3.5932 -1.3738 0.0039 C 0 0 0
- -1.4647 0.3842 -0.0016 C 0 0 0
- -2.3524 -1.9141 0.0043 C 0 0 0
- -1.2099 -1.0692 -0.0014 C 0 0 0
- 0.0000 1.3956 -0.0011 S 0 3 0
- 0.0001 -1.5723 -0.0013 N 0 0 0
- 1.4647 0.3844 -0.0004 C 0 0 0
- 1.2099 -1.0693 -0.0009 C 0 0 0
- 2.7367 0.8950 0.0000 C 0 0 0
- 2.3525 -1.9143 -0.0009 C 0 0 0
- 3.8111 0.0121 0.0005 C 0 0 0
- 3.5932 -1.3739 -0.0007 C 0 0 0
- 5.1067 0.5050 0.0010 N 0 0 0
- 6.2425 -0.4204 0.0015 C 0 0 0
- 5.3403 1.9513 0.0009 C 0 0 0
- -6.9072 0.3956 0.0000 H 0 0 0
- -7.0584 -1.0848 0.0000 H 0 0 0
- -5.5780 -1.2360 0.0000 H 0 0 0
- -4.3015 2.1191 0.0000 H 0 0 0
- -5.5080 2.9902 0.0000 H 0 0 0
- -6.3791 1.7837 0.0000 H 0 0 0
- -2.8971 1.9349 0.0000 H 0 0 0
- -4.4258 -2.0173 0.0000 H 0 0 0
- -2.2337 -2.9597 0.0000 H 0 0 0
- 2.8971 1.9350 0.0000 H 0 0 0
- 2.2339 -2.9599 0.0000 H 0 0 0
- 4.4258 -2.0174 0.0000 H 0 0 0
- 5.5778 -1.2362 0.0000 H 0 0 0
- 7.0583 -1.0851 0.0000 H 0 0 0
- 6.9072 0.3954 0.0000 H 0 0 0
- 6.3791 1.7835 0.0000 H 0 0 0
- 5.5081 2.9901 0.0000 H 0 0 0
- 4.3015 2.1191 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 7 1 0
- 11 9 1 0
- 12 10 2 0
- 13 11 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 2 0
- 17 15 2 0
- 18 16 1 0
- 19 18 1 0
- 20 18 1 0
- 8 9 1 0
- 12 13 1 0
- 16 17 1 0
- 2 21 1 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 3 25 1 0
- 3 26 1 0
- 5 27 1 0
- 6 28 1 0
- 8 29 1 0
- 14 30 1 0
- 15 31 1 0
- 17 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
- 20 36 1 0
- 20 37 1 0
- 20 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- 0.8934 -1.3909 0.4666 C 0 0 0
- 0.8566 0.0684 0.8406 C 0 0 0
- 1.5414 -2.2977 1.2840 C 0 0 0
- 0.2742 -1.8237 -0.6914 C 0 0 0
- 1.1976 0.8835 -0.3331 N 0 0 0
- 1.5752 -3.6366 0.9409 C 0 0 0
- 0.3080 -3.1621 -1.0344 C 0 0 0
- 0.2223 1.9808 -0.3828 C 0 0 0
- 2.5054 1.4932 -0.0580 C 0 0 0
- 0.9611 -4.0683 -0.2196 C 0 0 0
- -1.1668 1.4152 -0.6852 C 0 0 0
- 0.1967 2.7019 0.9664 C 0 0 0
- 3.6150 0.5746 -0.5735 C 0 0 0
- -1.7767 0.9752 0.5299 O 0 0 0
- 5.2202 1.3230 -0.2358 Cl 0 0 0
- -3.0614 0.6495 0.2291 C 0 0 0
- -4.0755 1.5782 0.4146 C 0 0 0
- -3.3603 -0.6100 -0.2693 C 0 0 0
- -5.3803 1.2447 0.1082 C 0 0 0
- -4.6672 -0.9387 -0.5744 C 0 0 0
- -5.6765 -0.0135 -0.3832 C 0 0 0
- 0.1422 0.7742 0.0000 H 0 0 0
- -0.0651 -0.3304 0.0000 H 0 0 0
- 2.4938 -1.9791 0.0000 H 0 0 0
- -0.6222 -1.3709 0.0000 H 0 0 0
- 2.4722 -4.0882 0.0000 H 0 0 0
- -0.6438 -3.4827 0.0000 H 0 0 0
- 1.1546 2.3543 0.0000 H 0 0 0
- 3.2527 2.1641 0.0000 H 0 0 0
- 1.9517 2.3311 0.0000 H 0 0 0
- 0.7944 -5.0587 0.0000 H 0 0 0
- -1.1091 2.4178 0.0000 H 0 0 0
- -2.0474 1.8982 0.0000 H 0 0 0
- 1.2004 2.7375 0.0000 H 0 0 0
- 0.1611 3.7056 0.0000 H 0 0 0
- -0.8070 2.6663 0.0000 H 0 0 0
- 2.8677 -0.0964 0.0000 H 0 0 0
- 4.1687 -0.2633 0.0000 H 0 0 0
- -3.8313 2.5524 0.0000 H 0 0 0
- -2.6454 -1.3154 0.0000 H 0 0 0
- -6.0972 1.9481 0.0000 H 0 0 0
- -4.9135 -1.9123 0.0000 H 0 0 0
- -6.6363 -0.3092 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 1 0
- 6 10 2 0
- 8 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 1 0
- 13 15 1 0
- 14 16 1 0
- 16 17 1 0
- 16 18 2 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 7 10 1 0
- 20 21 2 0
- 2 22 1 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 20 42 1 0
- 21 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-632-99-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 44 1 V2000
- 0.1949 -0.0537 -0.0978 C 0 0 0
- -1.2444 0.2244 -0.1990 C 0 0 0
- 1.1560 1.0567 -0.0466 C 0 0 0
- 0.6528 -1.3840 -0.0440 C 0 0 0
- -2.0240 0.3264 0.9617 C 0 0 0
- -1.8407 0.3942 -1.4558 C 0 0 0
- 1.7433 1.5328 -1.2266 C 0 0 0
- 1.4837 1.6467 1.1821 C 0 0 0
- 2.0187 -1.6506 0.1998 C 0 0 0
- -0.2554 -2.4506 -0.2283 C 0 0 0
- -3.3608 0.5854 0.8629 C 0 0 0
- -3.1786 0.6530 -1.5451 C 0 0 0
- 2.6356 2.5653 -1.1744 C 0 0 0
- 2.3768 2.6784 1.2249 C 0 0 0
- 2.4610 -2.9287 0.2519 C 0 0 0
- 0.1826 -3.7302 -0.1771 C 0 0 0
- -3.9506 0.7478 -0.3892 C 0 0 0
- -4.1999 0.6953 2.1099 C 0 0 0
- 2.9623 3.1452 0.0495 C 0 0 0
- 1.5530 -3.9998 0.0616 C 0 0 0
- -5.3117 1.0109 -0.4849 N 0 0 0
- 3.8708 4.1955 0.0979 N 0 0 0
- 1.9842 -5.2526 0.1123 N 0 0 0
- -2.1874 -0.6817 0.0000 H 0 0 0
- -1.6037 1.3876 0.0000 H 0 0 0
- 2.4540 0.7994 0.0000 H 0 0 0
- 0.6468 2.2320 0.0000 H 0 0 0
- 2.6884 -0.8796 0.0000 H 0 0 0
- -1.2587 -2.2600 0.0000 H 0 0 0
- -3.0193 1.6617 0.0000 H 0 0 0
- 3.4710 1.9779 0.0000 H 0 0 0
- 1.6694 3.4150 0.0000 H 0 0 0
- 3.4648 -3.1166 0.0000 H 0 0 0
- -0.4890 -4.4996 0.0000 H 0 0 0
- -4.0673 1.7079 0.0000 H 0 0 0
- -5.2125 0.8279 0.0000 H 0 0 0
- -4.3325 -0.3173 0.0000 H 0 0 0
- -5.6452 1.9762 0.0000 H 0 0 0
- -5.9809 0.2395 0.0000 H 0 0 0
- 4.8738 4.0031 0.0000 H 0 0 0
- 3.5359 5.1603 0.0000 H 0 0 0
- 2.3166 -6.2182 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 13 1 0
- 8 14 2 0
- 9 15 2 0
- 10 16 2 0
- 11 17 1 0
- 11 18 1 0
- 13 19 2 0
- 15 20 1 0
- 17 21 1 0
- 19 22 1 0
- 20 23 2 0
- 12 17 2 0
- 14 19 1 0
- 16 20 1 0
- 5 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 21 38 1 0
- 21 39 1 0
- 22 40 1 0
- 22 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-633-96-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- 1.3955 0.2087 -0.3181 N 0 0 0
- 0.5397 0.8481 0.4049 N 0 0 0
- 2.7193 0.4992 -0.2202 C 0 0 0
- -0.7917 0.5560 0.3065 C 0 0 0
- 3.7080 -0.5656 -0.0529 C 0 0 0
- 3.1670 1.8217 -0.2829 C 0 0 0
- -1.7218 1.2466 1.0881 C 0 0 0
- -1.2304 -0.4311 -0.5808 C 0 0 0
- 5.0774 -0.2190 0.0449 C 0 0 0
- 3.3281 -1.9109 0.0121 C 0 0 0
- 2.2730 2.8294 -0.4428 O 0 0 0
- 4.5268 2.1113 -0.1817 C 0 0 0
- -3.0638 0.9462 0.9833 C 0 0 0
- -2.5753 -0.7204 -0.6746 C 0 0 0
- 5.4572 1.1336 -0.0197 C 0 0 0
- 6.0324 -1.2371 0.2058 C 0 0 0
- 4.2810 -2.8736 0.1691 C 0 0 0
- -3.4901 -0.0362 0.1070 C 0 0 0
- 5.6286 -2.5365 0.2649 C 0 0 0
- -5.2067 -0.4129 -0.0199 S 0 0 0
- -5.2752 -1.7883 -0.3701 O 0 0 0
- -5.8167 0.1770 1.1199 O 0 0 0
- -5.7518 0.3472 -1.2205 O 0 0 0
- -1.5095 2.2466 0.0000 H 0 0 0
- -0.5858 -1.2246 0.0000 H 0 0 0
- 2.3382 -2.1663 0.0000 H 0 0 0
- 1.5946 3.5941 0.0000 H 0 0 0
- 4.8291 3.0879 0.0000 H 0 0 0
- -3.7152 1.7341 0.0000 H 0 0 0
- -2.7935 -1.7191 0.0000 H 0 0 0
- 6.4494 1.3800 0.0000 H 0 0 0
- 7.0287 -1.0080 0.0000 H 0 0 0
- 4.0057 -3.8581 0.0000 H 0 0 0
- 6.3309 -3.2794 0.0000 H 0 0 0
- -6.3476 1.1780 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 2 0
- 8 4 1 0
- 9 5 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 1 0
- 14 8 2 0
- 15 9 2 0
- 16 9 1 0
- 17 10 2 0
- 18 13 2 0
- 19 16 2 0
- 20 18 1 0
- 21 20 2 0
- 22 20 2 0
- 23 20 1 0
- 12 15 1 0
- 14 18 1 0
- 17 19 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 13 29 1 0
- 14 30 1 0
- 15 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-65-61-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -1.1602 0.1976 -0.0063 C 0 0 0
- -1.1968 -1.2686 -0.0031 C 0 0 0
- -0.0001 0.8483 -0.0061 N 0 0 0
- -2.3806 0.9004 -0.0036 C 0 0 0
- -0.0002 -1.9885 0.0001 C 0 0 0
- -2.4440 -1.9271 -0.0029 C 0 0 0
- 1.1604 0.1976 -0.0031 C 0 0 0
- -3.5654 0.2018 0.0019 C 0 0 0
- 1.1970 -1.2685 0.0001 C 0 0 0
- -3.5888 -1.2001 -0.0056 C 0 0 0
- 2.3803 0.9003 -0.0025 C 0 0 0
- -4.7690 0.9026 0.0045 N 0 0 0
- 2.4438 -1.9269 0.0037 C 0 0 0
- 3.5655 0.2016 0.0011 C 0 0 0
- -6.0404 0.1749 0.0104 C 0 0 0
- -4.7635 2.3676 0.0015 C 0 0 0
- 3.5889 -1.1998 0.0041 C 0 0 0
- 4.7691 0.9025 0.0017 N 0 0 0
- 6.0406 0.1749 0.0056 C 0 0 0
- 4.7636 2.3675 -0.0015 C 0 0 0
- -2.3860 1.9518 0.0000 H 0 0 0
- -0.0003 -3.0399 0.0000 H 0 0 0
- -2.4860 -2.9776 0.0000 H 0 0 0
- -4.5144 -1.6988 0.0000 H 0 0 0
- 2.3856 1.9517 0.0000 H 0 0 0
- 2.4858 -2.9774 0.0000 H 0 0 0
- -6.5627 1.0874 0.0000 H 0 0 0
- -6.9529 -0.3474 0.0000 H 0 0 0
- -5.5181 -0.7376 0.0000 H 0 0 0
- -3.7121 2.3637 0.0000 H 0 0 0
- -4.7596 3.4190 0.0000 H 0 0 0
- -5.8149 2.3715 0.0000 H 0 0 0
- 4.5145 -1.6985 0.0000 H 0 0 0
- 5.5184 -0.7376 0.0000 H 0 0 0
- 6.9531 -0.3473 0.0000 H 0 0 0
- 6.5628 1.0874 0.0000 H 0 0 0
- 5.8150 2.3714 0.0000 H 0 0 0
- 4.7597 3.4189 0.0000 H 0 0 0
- 3.7122 2.3636 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 11 14 1 0
- 12 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 18 19 1 0
- 18 20 1 0
- 7 9 1 0
- 8 10 1 0
- 14 17 2 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 10 24 1 0
- 11 25 1 0
- 13 26 1 0
- 15 27 1 0
- 15 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 19 34 1 0
- 19 35 1 0
- 19 36 1 0
- 20 37 1 0
- 20 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67-03-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- 0.6718 0.3022 1.4892 C 0 0 0
- -0.4481 0.4812 0.5618 N 0 3 0
- 1.9059 -0.0877 0.7173 C 0 0 0
- -1.5036 -0.3578 0.6069 C 0 0 0
- -0.4283 1.4806 -0.3280 C 0 0 0
- 2.9456 0.8236 0.5222 C 0 0 0
- 2.0394 -1.3572 0.1899 C 0 0 0
- -1.5490 -1.4863 1.6047 C 0 0 0
- -2.5127 -0.1648 -0.2579 C 0 0 0
- -1.9349 1.2627 -1.1613 S 0 0 0
- 2.8616 2.1077 1.0355 N 0 0 0
- 4.0177 0.4393 -0.1645 N 0 0 0
- 3.1389 -1.6655 -0.4831 N 0 0 0
- -3.7925 -0.9436 -0.4207 C 0 0 0
- 4.1006 -0.7809 -0.6544 C 0 0 0
- -4.9701 -0.0971 0.0666 C 0 0 0
- 5.3321 -1.1780 -1.4270 C 0 0 0
- -6.1837 -0.8357 -0.0878 O 0 0 0
- 1.3546 0.9918 0.0000 H 0 0 0
- 0.3703 1.2246 0.0000 H 0 0 0
- 0.2141 2.2080 0.0000 H 0 0 0
- 1.2978 -1.9832 0.0000 H 0 0 0
- -2.5187 -1.4473 0.0000 H 0 0 0
- -1.5880 -2.4560 0.0000 H 0 0 0
- -0.5793 -1.5253 0.0000 H 0 0 0
- 3.6686 2.6468 0.0000 H 0 0 0
- 1.9913 2.5370 0.0000 H 0 0 0
- -4.4589 -1.6491 0.0000 H 0 0 0
- -3.1821 -1.6980 0.0000 H 0 0 0
- -4.3037 0.6084 0.0000 H 0 0 0
- -5.5806 0.6573 0.0000 H 0 0 0
- 5.0343 -2.1016 0.0000 H 0 0 0
- 6.2557 -1.4758 0.0000 H 0 0 0
- 5.6299 -0.2544 0.0000 H 0 0 0
- -7.0127 -1.3402 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 2 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 4 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 1 0
- 13 7 2 0
- 14 9 1 0
- 15 12 2 0
- 16 14 1 0
- 17 15 1 0
- 18 16 1 0
- 9 10 1 0
- 13 15 1 0
- 1 19 1 0
- 1 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 8 25 1 0
- 11 26 1 0
- 11 27 1 0
- 14 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-69-05-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 60 1 V2000
- -0.2892 -1.4835 0.2564 N 0 0 0
- 0.3398 -1.6216 -1.0639 C 0 0 0
- -1.0928 -0.3638 0.1975 C 0 0 0
- 1.5844 -2.5037 -0.9461 C 0 0 0
- -0.6511 -2.2649 -2.0361 C 0 0 0
- -2.4982 -0.4740 0.2025 C 0 0 0
- -0.5380 0.9273 0.1363 C 0 0 0
- 2.7400 -1.6812 -0.3727 C 0 0 0
- -3.3013 0.6941 0.1411 C 0 0 0
- -3.1123 -1.7378 0.2677 C 0 0 0
- -1.4351 2.0833 0.0752 C 0 0 0
- 0.8512 1.1363 0.1319 C 0 0 0
- 3.9846 -2.5633 -0.2550 C 0 0 0
- -2.7537 1.9084 0.0788 N 0 0 0
- -4.7058 0.5567 0.1470 C 0 0 0
- -4.4735 -1.8291 0.2713 C 0 0 0
- -0.8672 3.3711 0.0142 C 0 0 0
- 1.3368 2.4055 0.0710 C 0 0 0
- 5.0942 -1.7736 0.2956 N 0 0 0
- -5.2670 -0.6783 0.2107 C 0 0 0
- -5.0654 -3.0515 0.3344 O 0 0 0
- 0.4862 3.5091 0.0135 C 0 0 0
- 6.2512 -2.6745 0.3822 C 0 0 0
- 5.4266 -0.7549 -0.7093 C 0 0 0
- -6.4768 -2.8282 0.3215 C 0 0 0
- 1.1729 5.1017 -0.0626 Cl 0 0 0
- 6.7428 -2.7355 1.8298 C 0 0 0
- 5.5687 0.6071 -0.0271 C 0 0 0
- -0.8648 -2.3578 0.0000 H 0 0 0
- 0.7631 -0.6643 0.0000 H 0 0 0
- 0.8876 -3.2848 0.0000 H 0 0 0
- 2.2828 -3.2834 0.0000 H 0 0 0
- -1.2211 -1.3870 0.0000 H 0 0 0
- -1.5290 -2.8349 0.0000 H 0 0 0
- -0.0811 -3.1428 0.0000 H 0 0 0
- 3.4368 -0.9001 0.0000 H 0 0 0
- 2.0416 -0.9015 0.0000 H 0 0 0
- -2.5276 -2.6060 0.0000 H 0 0 0
- 1.5072 0.3207 0.0000 H 0 0 0
- 3.2878 -3.3443 0.0000 H 0 0 0
- 4.6830 -3.3430 0.0000 H 0 0 0
- -5.3147 1.4080 0.0000 H 0 0 0
- -1.4826 4.2178 0.0000 H 0 0 0
- 2.3724 2.5574 0.0000 H 0 0 0
- -6.3096 -0.7709 0.0000 H 0 0 0
- 5.3672 -3.2349 0.0000 H 0 0 0
- 6.4804 -3.6958 0.0000 H 0 0 0
- 6.1791 -1.4824 0.0000 H 0 0 0
- 6.4101 -0.3968 0.0000 H 0 0 0
- -6.3132 -1.7944 0.0000 H 0 0 0
- -7.5106 -2.6646 0.0000 H 0 0 0
- -6.6404 -3.8620 0.0000 H 0 0 0
- 6.6139 -3.7742 0.0000 H 0 0 0
- 7.7815 -2.8644 0.0000 H 0 0 0
- 6.8717 -1.6968 0.0000 H 0 0 0
- 6.6098 0.4985 0.0000 H 0 0 0
- 5.6773 1.6482 0.0000 H 0 0 0
- 4.5276 0.7157 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 1 0
- 9 6 1 0
- 10 6 1 0
- 11 7 2 0
- 12 7 1 0
- 13 8 1 0
- 14 9 2 0
- 15 9 1 0
- 16 10 2 0
- 17 11 1 0
- 18 12 2 0
- 19 13 1 0
- 20 15 2 0
- 21 16 1 0
- 22 17 2 0
- 23 19 1 0
- 24 19 1 0
- 25 21 1 0
- 26 22 1 0
- 27 23 1 0
- 28 24 1 0
- 11 14 1 0
- 16 20 1 0
- 18 22 1 0
- 1 29 1 0
- 2 30 1 0
- 4 31 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 5 35 1 0
- 8 36 1 0
- 8 37 1 0
- 10 38 1 0
- 12 39 1 0
- 13 40 1 0
- 13 41 1 0
- 15 42 1 0
- 17 43 1 0
- 18 44 1 0
- 20 45 1 0
- 23 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
- 27 53 1 0
- 27 54 1 0
- 27 55 1 0
- 28 56 1 0
- 28 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6959-47-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.2911 0.0083 -0.9960 C 0 0 0
- -2.4370 -0.0217 0.3957 Cl 0 0 0
- 0.1251 -0.0064 -0.4810 C 0 0 0
- 0.7645 -1.2140 -0.2754 C 0 0 0
- 0.7417 1.1336 -0.2369 N 0 0 0
- 2.0678 -1.2166 0.1983 C 0 0 0
- 1.9803 1.1692 0.2139 C 0 0 0
- 2.6813 0.0012 0.4484 C 0 0 0
- -0.7929 0.8749 0.0000 H 0 0 0
- -1.8029 0.8669 0.0000 H 0 0 0
- 0.2481 -2.0698 0.0000 H 0 0 0
- 2.5912 -2.0682 0.0000 H 0 0 0
- 2.4602 2.0460 0.0000 H 0 0 0
- 3.6802 0.0381 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 7 8 1 0
- 1 9 1 0
- 1 10 1 0
- 4 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6959-48-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- 0.0886 -0.0400 -0.4907 C 0 0 0
- 0.7240 -1.2462 -0.2397 C 0 0 0
- 0.7737 1.1405 -0.2718 C 0 0 0
- -1.3289 -0.0161 -1.0016 C 0 0 0
- 2.0306 -1.2199 0.2242 C 0 0 0
- 2.0159 1.1274 0.1700 N 0 0 0
- -2.4701 0.0229 0.3937 Cl 0 0 0
- 2.6514 -0.0010 0.4194 C 0 0 0
- 0.2153 -2.1087 0.0000 H 0 0 0
- 0.2786 2.0109 0.0000 H 0 0 0
- -1.8540 -0.8687 0.0000 H 0 0 0
- -0.8480 -0.8944 0.0000 H 0 0 0
- 2.5624 -2.0683 0.0000 H 0 0 0
- 3.6525 0.0199 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-72-57-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 86 91 1 V2000
- 6.7016 -1.8041 0.1564 O 0 0 0
- 7.4958 -0.7228 -0.0369 C 0 0 0
- 8.8949 -0.8549 -0.0080 C 0 0 0
- 6.9327 0.5333 -0.2725 C 0 0 0
- 9.7092 0.2867 -0.2121 C 0 0 0
- 9.5036 -2.1074 0.2216 C 0 0 0
- 5.5791 0.6728 -0.3083 N 0 0 0
- 7.7584 1.6557 -0.4735 C 0 0 0
- 9.1092 1.5407 -0.4415 C 0 0 0
- 11.1060 0.1511 -0.1822 C 0 0 0
- 8.7226 -3.2409 0.4239 N 0 0 0
- 10.8809 -2.1977 0.2432 C 0 0 0
- 4.8541 0.1745 0.6351 N 0 0 0
- 7.0269 3.2310 -0.7704 S 0 0 0
- 11.6688 -1.0700 0.0416 C 0 0 0
- 3.4926 0.2164 0.5442 C 0 0 0
- 7.9492 3.9369 -1.5891 O 0 0 0
- 5.6688 2.9705 -1.0975 O 0 0 0
- 6.9971 3.9762 0.5563 O 0 0 0
- 13.4239 -1.2221 0.0752 S 0 0 0
- 2.7056 -0.2102 1.6194 C 0 0 0
- 2.8829 0.6914 -0.6220 C 0 0 0
- 13.7061 -2.5384 -0.3796 O 0 0 0
- 13.9262 -0.0261 -0.5047 O 0 0 0
- 13.8557 -1.1873 1.5343 O 0 0 0
- 3.3588 -0.7176 2.8791 C 0 0 0
- 1.3333 -0.1659 1.5237 C 0 0 0
- 1.5211 0.7343 -0.7140 C 0 0 0
- 0.7318 0.3045 0.3547 C 0 0 0
- -0.7446 0.3528 0.2503 C 0 0 0
- -1.3646 1.4376 -0.3731 C 0 0 0
- -1.5151 -0.6892 0.7702 C 0 0 0
- -2.7368 1.4810 -0.4698 C 0 0 0
- -2.8768 -0.6489 0.6757 C 0 0 0
- -3.4100 2.6497 -1.1423 C 0 0 0
- -3.5052 0.4374 0.0572 C 0 0 0
- -4.8667 0.4767 -0.0362 N 0 0 0
- -5.5689 -0.5353 0.3468 N 0 0 0
- -6.9211 -0.5236 0.1908 C 0 0 0
- -7.5688 -1.6298 -0.3916 C 0 0 0
- -7.6601 0.5831 0.6142 C 0 0 0
- -6.6181 -3.0191 -0.9117 S 0 0 0
- -8.9147 -1.6404 -0.5570 C 0 0 0
- -7.0379 1.6465 1.1796 O 0 0 0
- -9.0557 0.5830 0.4475 C 0 0 0
- -7.3245 -3.5814 -2.0089 O 0 0 0
- -5.2690 -2.5737 -0.9434 O 0 0 0
- -6.6847 -4.0576 0.1990 O 0 0 0
- -9.6888 -0.5373 -0.1458 C 0 0 0
- -9.8389 1.6816 0.8622 C 0 0 0
- -11.0829 -0.5342 -0.3103 C 0 0 0
- -9.2374 2.7917 1.4467 N 0 0 0
- -11.2070 1.6449 0.6821 C 0 0 0
- -11.8156 0.5418 0.0940 C 0 0 0
- -13.5644 0.5290 -0.1205 S 0 0 0
- -13.9412 1.8872 -0.3010 O 0 0 0
- -13.8339 -0.5273 -1.0320 O 0 0 0
- -14.1821 0.1009 1.2030 O 0 0 0
- 6.1028 -2.6194 0.0000 H 0 0 0
- 9.6843 2.3729 0.0000 H 0 0 0
- 11.6920 0.9756 0.0000 H 0 0 0
- 7.7143 -3.1603 0.0000 H 0 0 0
- 9.1570 -4.1544 0.0000 H 0 0 0
- 11.3188 -3.1095 0.0000 H 0 0 0
- 6.9567 4.9869 0.0000 H 0 0 0
- 3.2266 1.6428 0.0000 H 0 0 0
- 14.8640 -1.1060 0.0000 H 0 0 0
- 2.7383 -1.5164 0.0000 H 0 0 0
- 4.1576 -1.3381 0.0000 H 0 0 0
- 3.9793 0.0812 0.0000 H 0 0 0
- 0.9884 -1.1168 0.0000 H 0 0 0
- 1.2870 1.7184 0.0000 H 0 0 0
- -0.8431 2.3044 0.0000 H 0 0 0
- -1.0731 -1.5990 0.0000 H 0 0 0
- -3.3951 -1.5176 0.0000 H 0 0 0
- -2.5335 3.1546 0.0000 H 0 0 0
- -3.9149 3.5262 0.0000 H 0 0 0
- -4.2865 2.1448 0.0000 H 0 0 0
- -9.3778 -2.5397 0.0000 H 0 0 0
- -6.5271 2.5196 0.0000 H 0 0 0
- -6.7494 -5.0671 0.0000 H 0 0 0
- -11.5568 -1.4279 0.0000 H 0 0 0
- -8.2262 2.8190 0.0000 H 0 0 0
- -9.7667 3.6537 0.0000 H 0 0 0
- -11.7329 2.5090 0.0000 H 0 0 0
- -15.0135 -0.4753 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 4 2 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 6 2 0
- 13 7 2 0
- 14 8 1 0
- 15 10 2 0
- 16 13 1 0
- 17 14 2 0
- 18 14 2 0
- 19 14 1 0
- 20 15 1 0
- 21 16 2 0
- 22 16 1 0
- 23 20 2 0
- 24 20 2 0
- 25 20 1 0
- 26 21 1 0
- 27 21 1 0
- 28 22 2 0
- 29 27 2 0
- 30 29 1 0
- 31 30 2 0
- 32 30 1 0
- 33 31 1 0
- 34 32 2 0
- 35 33 1 0
- 36 33 2 0
- 37 36 1 0
- 38 37 2 0
- 39 38 1 0
- 40 39 2 0
- 41 39 1 0
- 42 40 1 0
- 43 40 1 0
- 44 41 1 0
- 45 41 2 0
- 46 42 2 0
- 47 42 2 0
- 48 42 1 0
- 49 43 2 0
- 50 45 1 0
- 51 49 1 0
- 52 50 1 0
- 53 50 2 0
- 54 51 2 0
- 55 54 1 0
- 56 55 2 0
- 57 55 2 0
- 58 55 1 0
- 8 9 1 0
- 12 15 1 0
- 28 29 1 0
- 34 36 1 0
- 45 49 1 0
- 53 54 1 0
- 1 59 1 0
- 9 60 1 0
- 10 61 1 0
- 11 62 1 0
- 11 63 1 0
- 12 64 1 0
- 19 65 1 0
- 22 66 1 0
- 25 67 1 0
- 26 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 28 72 1 0
- 31 73 1 0
- 32 74 1 0
- 34 75 1 0
- 35 76 1 0
- 35 77 1 0
- 35 78 1 0
- 43 79 1 0
- 44 80 1 0
- 48 81 1 0
- 51 82 1 0
- 52 83 1 0
- 52 84 1 0
- 53 85 1 0
- 58 86 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-81-88-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 67 1 V2000
- -0.1218 2.7856 1.6564 C 0 0 0
- -0.0974 1.5964 1.9024 O 0 0 0
- -0.1540 3.6810 2.6624 O 0 0 0
- -0.1101 3.2503 0.2537 C 0 0 0
- -0.0706 2.3170 -0.8028 C 0 0 0
- -0.1439 4.6120 -0.0335 C 0 0 0
- -0.0397 0.8717 -0.5155 C 0 0 0
- -0.0605 2.7715 -2.1224 C 0 0 0
- -0.1333 5.0422 -1.3475 C 0 0 0
- 1.1904 0.1870 -0.3544 C 0 0 0
- -1.2396 0.1284 -0.3867 C 0 0 0
- -0.0892 4.1270 -2.3854 C 0 0 0
- 1.1828 -1.1983 -0.0792 C 0 0 0
- 2.4104 0.8751 -0.4667 C 0 0 0
- -1.1729 -1.2549 -0.1107 C 0 0 0
- -2.4877 0.7572 -0.5320 C 0 0 0
- 0.0188 -1.8706 0.0301 O 0 3 0
- 2.3886 -1.8644 0.0777 C 0 0 0
- 3.5839 0.2043 -0.3099 C 0 0 0
- -2.3490 -1.9783 0.0145 C 0 0 0
- -3.6315 0.0308 -0.4061 C 0 0 0
- 3.5836 -1.1681 -0.0363 C 0 0 0
- -3.5726 -1.3401 -0.1317 C 0 0 0
- 4.7880 -1.8383 0.1215 N 0 0 0
- -4.7473 -2.0675 -0.0057 N 0 0 0
- 5.7351 -1.4095 1.1536 C 0 0 0
- 5.1126 -2.9748 -0.7440 C 0 0 0
- -5.3222 -2.7386 -1.1741 C 0 0 0
- -5.4127 -2.1645 1.2959 C 0 0 0
- 5.6403 -2.3512 2.3557 C 0 0 0
- 5.8461 -2.4739 -1.9898 C 0 0 0
- -5.0245 -4.2375 -1.0991 C 0 0 0
- -5.4296 -0.7882 1.9638 C 0 0 0
- -0.1906 4.6996 0.0000 H 0 0 0
- -1.1631 4.6119 0.0000 H 0 0 0
- 0.9587 2.7710 0.0000 H 0 0 0
- -0.1453 6.0614 0.0000 H 0 0 0
- 0.9294 4.1623 0.0000 H 0 0 0
- 2.4133 1.8943 0.0000 H 0 0 0
- -2.5382 1.7752 0.0000 H 0 0 0
- 2.4003 -2.8836 0.0000 H 0 0 0
- 4.4655 0.7157 0.0000 H 0 0 0
- -2.3130 -2.9969 0.0000 H 0 0 0
- -4.5351 0.5024 0.0000 H 0 0 0
- 6.7515 -1.3333 0.0000 H 0 0 0
- 5.4830 -0.4220 0.0000 H 0 0 0
- 4.1681 -3.3578 0.0000 H 0 0 0
- 5.5942 -3.8730 0.0000 H 0 0 0
- -5.9311 -1.9213 0.0000 H 0 0 0
- -6.2536 -3.1525 0.0000 H 0 0 0
- -6.4303 -2.2220 0.0000 H 0 0 0
- -5.3103 -3.1786 0.0000 H 0 0 0
- 4.6262 -2.2491 0.0000 H 0 0 0
- 5.5382 -3.3653 0.0000 H 0 0 0
- 6.6544 -2.4533 0.0000 H 0 0 0
- 6.4209 -3.3156 0.0000 H 0 0 0
- 6.6878 -1.8991 0.0000 H 0 0 0
- 5.2713 -1.6322 0.0000 H 0 0 0
- -6.0242 -4.4361 0.0000 H 0 0 0
- -4.8259 -5.2372 0.0000 H 0 0 0
- -4.0248 -4.0389 0.0000 H 0 0 0
- -4.4105 -0.7757 0.0000 H 0 0 0
- -5.4421 0.2309 0.0000 H 0 0 0
- -6.4487 -0.8007 0.0000 H 0 0 0
- 2 1 2 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 2 0
- 11 7 1 0
- 12 8 2 0
- 13 10 1 0
- 14 10 1 0
- 15 11 2 0
- 16 11 1 0
- 17 13 2 0
- 18 13 1 0
- 19 14 2 0
- 20 15 1 0
- 21 16 2 0
- 22 18 2 0
- 23 20 2 0
- 24 22 1 0
- 25 23 1 0
- 26 24 1 0
- 27 24 1 0
- 28 25 1 0
- 29 25 1 0
- 30 26 1 0
- 31 27 1 0
- 32 28 1 0
- 33 29 1 0
- 9 12 1 0
- 15 17 1 0
- 19 22 1 0
- 21 23 1 0
- 3 34 1 0
- 6 35 1 0
- 8 36 1 0
- 9 37 1 0
- 12 38 1 0
- 14 39 1 0
- 16 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 26 45 1 0
- 26 46 1 0
- 27 47 1 0
- 27 48 1 0
- 28 49 1 0
- 28 50 1 0
- 29 51 1 0
- 29 52 1 0
- 30 53 1 0
- 30 54 1 0
- 30 55 1 0
- 31 56 1 0
- 31 57 1 0
- 31 58 1 0
- 32 59 1 0
- 32 60 1 0
- 32 61 1 0
- 33 62 1 0
- 33 63 1 0
- 33 64 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -1.1928 0.3444 -0.0038 C 0 0 0
- -1.2082 -1.0721 -0.0024 C 0 0 0
- 0.0001 1.0246 -0.0027 N 0 3 0
- -2.3959 1.0388 -0.0004 C 0 0 0
- 0.0002 -1.7823 0.0001 C 0 0 0
- -2.4402 -1.7581 -0.0030 C 0 0 0
- 1.1927 0.3445 -0.0012 C 0 0 0
- 0.0001 2.4896 -0.0037 C 0 0 0
- -3.5940 0.3425 0.0042 C 0 0 0
- 1.2081 -1.0722 0.0011 C 0 0 0
- -3.6046 -1.0586 -0.0050 C 0 0 0
- 2.3958 1.0389 -0.0006 C 0 0 0
- -4.7938 1.0389 0.0081 N 0 0 0
- 2.4403 -1.7582 0.0031 C 0 0 0
- 3.5939 0.3425 0.0005 C 0 0 0
- 3.6046 -1.0586 0.0035 C 0 0 0
- 4.7937 1.0389 0.0011 N 0 0 0
- -2.3975 2.0806 0.0000 H 0 0 0
- 0.0003 -2.8241 0.0000 H 0 0 0
- -2.4573 -2.7998 0.0000 H 0 0 0
- 1.0419 2.4896 0.0000 H 0 0 0
- 0.0001 3.5314 0.0000 H 0 0 0
- -1.0417 2.4896 0.0000 H 0 0 0
- -4.5133 -1.5682 0.0000 H 0 0 0
- 2.3974 2.0807 0.0000 H 0 0 0
- -4.7914 2.0807 0.0000 H 0 0 0
- -5.6973 0.5201 0.0000 H 0 0 0
- 2.4575 -2.7999 0.0000 H 0 0 0
- 4.5133 -1.5682 0.0000 H 0 0 0
- 5.6972 0.5201 0.0000 H 0 0 0
- 4.7913 2.0807 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 1 0
- 12 15 2 0
- 14 16 2 0
- 15 17 1 0
- 7 10 1 0
- 9 11 1 0
- 15 16 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-92-31-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 37 1 V2000
- 4.8296 0.2213 0.0017 N 0 0 0
- 5.8708 -0.8093 0.0019 C 0 0 0
- 5.2014 1.6383 -0.0049 C 0 0 0
- 3.4924 -0.1445 0.0019 C 0 0 0
- 2.5081 0.8378 0.0017 C 0 0 0
- 3.1419 -1.5030 -0.0035 C 0 0 0
- 1.1928 0.4521 0.0015 C 0 0 0
- 1.8547 -1.9211 -0.0040 C 0 0 0
- 0.7990 -0.9700 0.0015 C 0 0 0
- -0.1676 1.5999 0.0007 S 0 3 0
- -0.4539 -1.3541 0.0013 N 0 0 0
- -1.7230 0.7347 0.0001 C 0 0 0
- -1.6095 -0.7368 0.0008 C 0 0 0
- -2.9399 1.3656 -0.0006 C 0 0 0
- -2.8283 -1.4677 0.0008 C 0 0 0
- -4.0943 0.5904 -0.0011 C 0 0 0
- -4.0111 -0.8102 0.0004 C 0 0 0
- -5.3364 1.2059 -0.0017 N 0 0 0
- -5.2868 -1.6125 -0.0001 C 0 0 0
- 5.1306 -1.5571 0.0000 H 0 0 0
- 6.6186 -1.5495 0.0000 H 0 0 0
- 6.6110 -0.0615 0.0000 H 0 0 0
- 6.2192 1.3712 0.0000 H 0 0 0
- 5.4685 2.6561 0.0000 H 0 0 0
- 4.1836 1.9054 0.0000 H 0 0 0
- 2.7680 1.8574 0.0000 H 0 0 0
- 3.9085 -2.2238 0.0000 H 0 0 0
- 1.6357 -2.9503 0.0000 H 0 0 0
- -2.9993 2.4162 0.0000 H 0 0 0
- -2.8110 -2.5198 0.0000 H 0 0 0
- -5.4032 2.2560 0.0000 H 0 0 0
- -6.2124 0.6230 0.0000 H 0 0 0
- -5.8470 -0.7218 0.0000 H 0 0 0
- -6.1775 -2.1727 0.0000 H 0 0 0
- -4.7266 -2.5032 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 4 2 0
- 6 4 1 0
- 7 5 1 0
- 8 6 2 0
- 9 7 2 0
- 10 7 1 0
- 11 9 1 0
- 12 10 2 0
- 13 11 2 0
- 14 12 1 0
- 15 13 1 0
- 16 14 2 0
- 17 15 2 0
- 18 16 1 0
- 19 17 1 0
- 8 9 1 0
- 12 13 1 0
- 16 17 1 0
- 2 20 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 3 24 1 0
- 3 25 1 0
- 5 26 1 0
- 6 27 1 0
- 8 28 1 0
- 14 29 1 0
- 15 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-108-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.6579 -1.1763 -0.0019 C 0 0 0
- -0.6897 -1.1579 -0.0012 N 0 0 0
- 1.3476 -0.0183 -0.0012 N 0 0 0
- 1.2511 -2.2368 0.0020 O 0 0 0
- -1.3476 0.0183 0.0001 C 0 0 0
- 0.6897 1.1579 0.0001 C 0 0 0
- -0.6579 1.1763 0.0008 N 0 0 0
- -2.5627 0.0349 0.0003 O 0 0 0
- 1.3115 2.2019 0.0003 O 0 0 0
- -1.2070 -2.0263 0.0000 H 0 0 0
- 2.3583 -0.0320 0.0000 H 0 0 0
- -1.1513 2.0585 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 2 0
- 6 9 2 0
- 6 7 1 0
- 2 10 1 0
- 3 11 1 0
- 7 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1127-45-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 20 1 V2000
- -0.0116 0.1118 -0.0021 C 0 0 0
- 0.0089 -1.3045 -0.0011 C 0 0 0
- 1.2116 0.8145 -0.0011 C 0 0 0
- -1.1801 0.7607 0.0014 N 0 3 0
- 1.2396 -1.9814 0.0014 C 0 0 0
- -1.2121 -2.0044 -0.0021 C 0 0 0
- 2.3886 0.1216 0.0009 C 0 0 0
- 1.2188 2.1728 -0.0026 O 0 0 0
- -2.3204 0.1114 0.0060 C 0 0 0
- -1.1877 2.1767 0.0008 O 0 5 0
- 2.4012 -1.2707 0.0028 C 0 0 0
- -2.3706 -1.2803 -0.0040 C 0 0 0
- 1.2637 -3.0254 0.0000 H 0 0 0
- -1.2320 -3.0485 0.0000 H 0 0 0
- 3.2928 0.6440 0.0000 H 0 0 0
- 1.2243 3.2171 0.0000 H 0 0 0
- -3.2136 0.6524 0.0000 H 0 0 0
- 3.3144 -1.7771 0.0000 H 0 0 0
- -3.2929 -1.7700 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 7 11 1 0
- 9 12 2 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-115-02-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 0.4887 -0.6993 0.4485 O 0 0 0
- -0.6043 0.1297 0.0484 C 0 0 0
- 1.6214 -0.0523 0.0910 C 0 0 0
- -1.9231 -0.5480 0.4259 C 0 0 1
- 2.8699 -0.6273 0.3574 C 0 0 0
- 1.5552 1.0304 -0.4625 O 0 0 0
- -3.0759 0.3262 0.0040 C 0 0 0
- -2.0187 -1.8464 -0.2545 N 0 0 0
- 3.9167 -0.0293 0.0270 N 0 3 0
- -3.5657 1.2458 0.8503 O 0 0 0
- -3.5592 0.1995 -1.0961 O 0 0 0
- 4.8579 0.5084 -0.2701 N 0 5 0
- 0.0948 0.8114 0.0000 H 0 0 0
- -1.1746 0.9223 0.0000 H 0 0 0
- -2.8130 -0.9499 0.0000 H 0 0 0
- 2.9126 -1.6028 0.0000 H 0 0 0
- -2.8979 -2.2712 0.0000 H 0 0 0
- -1.2112 -2.3954 0.0000 H 0 0 0
- -4.0247 2.1076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 7 11 2 0
- 9 12 2 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 5 16 1 0
- 8 17 1 0
- 8 18 1 0
- 10 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-115-28-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -0.2573 -1.1416 0.0120 C 0 0 1
- 0.6773 -0.8220 -1.1974 C 0 0 0
- 0.1008 0.0505 0.9726 C 0 0 0
- -1.6400 -0.6858 -0.4686 C 0 0 0
- -0.1348 -2.8028 0.7021 Cl 0 0 0
- 0.6698 0.7245 -1.2690 C 0 0 0
- 2.0728 -1.3041 -0.8950 C 0 0 0
- -0.2684 1.1453 -0.0938 C 0 0 1
- -0.9677 0.1125 2.4235 Cl 0 0 0
- 1.8486 0.0794 1.4145 Cl 0 0 0
- -1.6465 0.6336 -0.5297 C 0 0 0
- -2.9710 -1.7271 -0.8660 Cl 0 0 0
- 2.0604 1.2459 -1.0130 C 0 0 0
- 2.4606 -2.5271 -1.2894 O 0 0 0
- 2.8425 -0.5897 -0.2974 O 0 0 0
- -0.1846 2.8633 0.4467 Cl 0 0 0
- -2.9875 1.6209 -1.0201 Cl 0 0 0
- 2.9750 1.2288 -1.9953 O 0 0 0
- 2.3520 1.6794 0.0765 O 0 0 0
- 0.6757 -1.8627 0.0000 H 0 0 0
- 0.7025 1.7647 0.0000 H 0 0 0
- 2.7752 -3.5192 0.0000 H 0 0 0
- 4.0156 1.2093 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 2 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 11 17 1 0
- 13 18 1 0
- 13 19 2 0
- 6 8 1 0
- 8 11 1 0
- 2 20 1 0
- 6 21 1 0
- 14 22 1 0
- 18 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-119-39-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.4758 0.9103 -0.0027 C 0 0 0
- -0.1299 -0.4603 -0.0016 C 0 0 0
- 0.5991 1.9027 -0.0017 C 0 0 0
- -1.8217 1.2816 0.0011 C 0 0 0
- 1.2940 -0.8177 0.0004 C 0 0 0
- -1.1345 -1.4272 -0.0020 C 0 0 0
- 1.8403 1.5168 0.0001 N 0 0 0
- -2.7898 0.3166 0.0059 C 0 0 0
- 2.2114 0.1720 0.0012 N 0 0 0
- 1.6409 -1.9854 0.0018 O 0 0 0
- -2.4540 -1.0312 -0.0035 C 0 0 0
- 0.3692 2.9208 0.0000 H 0 0 0
- -2.0873 2.2910 0.0000 H 0 0 0
- -0.8891 -2.4417 0.0000 H 0 0 0
- -3.7953 0.5964 0.0000 H 0 0 0
- 3.2254 -0.0752 0.0000 H 0 0 0
- -3.2093 -1.7515 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 9 1 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-121-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- 0.5655 0.1969 -0.0027 C 0 0 0
- -0.7502 -1.0120 -0.0021 S 0 0 0
- -0.1492 1.3474 -0.0005 C 0 0 0
- 2.0325 -0.0037 0.0002 N 0 3 0
- -2.0818 0.1026 0.0009 C 0 0 0
- -1.4668 1.2698 0.0013 N 0 0 0
- 2.7788 0.9589 -0.0007 O 0 0 0
- 2.4930 -1.1313 0.0035 O 0 5 0
- -3.4418 -0.1653 0.0021 N 0 0 0
- 0.3181 2.2493 0.0000 H 0 0 0
- -4.1102 0.5997 0.0000 H 0 0 0
- -3.7701 -1.1266 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 6 2 0
- 3 10 1 0
- 9 11 1 0
- 9 12 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1214-39-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 2.0312 -0.4907 0.0010 C 0 0 0
- 1.0172 0.4693 0.0008 C 0 0 0
- 3.3673 -0.0583 0.0007 C 0 0 0
- 2.0753 -1.8689 -0.0039 N 0 0 0
- -0.3158 0.0916 0.0007 N 0 0 0
- 1.3598 1.7548 0.0003 N 0 0 0
- 4.1354 -1.1640 0.0005 N 0 0 0
- 3.6160 1.2554 0.0002 N 0 0 0
- 3.3793 -2.2265 -0.0010 C 0 0 0
- -1.3664 1.1125 0.0005 C 0 0 0
- 2.6284 2.1228 0.0000 C 0 0 0
- -2.7168 0.4436 0.0003 C 0 0 0
- -3.3362 0.1370 1.1972 C 0 0 0
- -3.3387 0.1418 -1.1971 C 0 0 0
- -4.5751 -0.4767 1.1971 C 0 0 0
- -4.5772 -0.4716 -1.1972 C 0 0 0
- -5.1942 -0.7836 0.0001 C 0 0 0
- 1.2823 -2.4940 0.0000 H 0 0 0
- -0.5631 -0.8874 0.0000 H 0 0 0
- 3.7182 -3.1776 0.0000 H 0 0 0
- -0.5854 1.7525 0.0000 H 0 0 0
- -1.9140 1.9609 0.0000 H 0 0 0
- 2.8479 3.1084 0.0000 H 0 0 0
- -3.7843 1.0419 0.0000 H 0 0 0
- -3.7832 1.0484 0.0000 H 0 0 0
- -5.0234 0.4280 0.0000 H 0 0 0
- -5.0291 0.4314 0.0000 H 0 0 0
- -6.0971 -1.2357 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 10 12 1 0
- 12 13 2 0
- 12 14 1 0
- 13 15 1 0
- 14 16 2 0
- 15 17 2 0
- 7 9 2 0
- 8 11 2 0
- 16 17 1 0
- 4 18 1 0
- 5 19 1 0
- 9 20 1 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1250-95-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 75 79 1 V2000
- -4.0971 0.5806 -0.5314 C 0 0 2
- -3.2859 -0.5094 0.1436 C 0 0 1
- -3.5130 1.9211 -0.8849 C 0 0 1
- -4.4165 1.7589 0.2212 O 0 0 0
- -5.2758 0.0233 -1.3580 C 0 0 0
- -2.0382 -0.0021 0.8383 C 0 0 2
- -4.1969 -1.2993 1.0836 C 0 0 0
- -2.8346 -1.4801 -0.9496 C 0 0 0
- -2.1417 2.2141 -0.3086 C 0 0 0
- -6.1524 -0.8094 -0.4156 C 0 0 2
- -1.2986 0.9590 -0.1053 C 0 0 1
- -1.1738 -1.1954 1.2393 C 0 0 0
- -5.3274 -1.9123 0.2457 C 0 0 0
- -7.2246 -1.3957 -1.1563 O 0 0 0
- 0.0108 1.3502 0.5587 C 0 0 1
- 0.1931 -0.7682 1.7909 C 0 0 0
- 0.8622 0.0628 0.7108 C 0 0 2
- 0.9358 2.2389 -0.2804 C 0 0 0
- 2.2514 0.5999 1.0431 C 0 0 2
- 0.8985 -0.7027 -0.6133 C 0 0 0
- 2.3301 1.9857 0.3555 C 0 0 0
- 3.3126 -0.3266 0.4460 C 0 0 1
- 4.6740 0.3709 0.4763 C 0 0 0
- 3.3823 -1.6169 1.2653 C 0 0 0
- 5.7351 -0.5556 -0.1208 C 0 0 0
- 7.0965 0.1420 -0.0905 C 0 0 0
- 8.1576 -0.7845 -0.6876 C 0 0 0
- 7.7876 -1.1181 -2.1342 C 0 0 0
- 9.5190 -0.0869 -0.6573 C 0 0 0
- -3.7107 2.9268 0.0000 H 0 0 0
- -5.3005 1.0479 0.0000 H 0 0 0
- -6.2224 0.4163 0.0000 H 0 0 0
- -2.6589 0.8135 0.0000 H 0 0 0
- -4.1500 -2.3232 0.0000 H 0 0 0
- -3.2550 -1.7035 0.0000 H 0 0 0
- -3.7640 -1.9122 0.0000 H 0 0 0
- -2.4025 -2.4095 0.0000 H 0 0 0
- -1.9052 -1.0480 0.0000 H 0 0 0
- -1.2254 2.6733 0.0000 H 0 0 0
- -2.4811 3.1812 0.0000 H 0 0 0
- -6.7563 0.0187 0.0000 H 0 0 0
- -0.7177 0.1146 0.0000 H 0 0 0
- -2.0638 -1.7037 0.0000 H 0 0 0
- -0.7644 -2.1350 0.0000 H 0 0 0
- -6.1769 -2.4858 0.0000 H 0 0 0
- -4.7958 -2.7886 0.0000 H 0 0 0
- -8.1239 -1.8874 0.0000 H 0 0 0
- -0.5054 2.2356 0.0000 H 0 0 0
- 0.1685 -1.7928 0.0000 H 0 0 0
- 1.1556 -1.1206 0.0000 H 0 0 0
- 1.3238 3.1876 0.0000 H 0 0 0
- 0.0880 2.8149 0.0000 H 0 0 0
- 3.1962 0.9973 0.0000 H 0 0 0
- -0.1253 -0.7512 0.0000 H 0 0 0
- 0.9470 -1.7265 0.0000 H 0 0 0
- 1.9223 -0.6542 0.0000 H 0 0 0
- 3.3502 1.8857 0.0000 H 0 0 0
- 2.4718 3.0008 0.0000 H 0 0 0
- 2.3913 -0.7757 0.0000 H 0 0 0
- 5.4401 1.0517 0.0000 H 0 0 0
- 4.0953 1.2168 0.0000 H 0 0 0
- 2.3589 -1.6722 0.0000 H 0 0 0
- 3.4376 -2.6403 0.0000 H 0 0 0
- 4.4057 -1.5616 0.0000 H 0 0 0
- 4.9690 -1.2364 0.0000 H 0 0 0
- 6.3138 -1.4015 0.0000 H 0 0 0
- 7.8626 0.8228 0.0000 H 0 0 0
- 6.5178 0.9879 0.0000 H 0 0 0
- 8.7394 -1.6283 0.0000 H 0 0 0
- 7.1013 -0.3569 0.0000 H 0 0 0
- 7.0264 -1.8044 0.0000 H 0 0 0
- 8.4739 -1.8793 0.0000 H 0 0 0
- 9.9864 -0.9991 0.0000 H 0 0 0
- 10.4312 0.3805 0.0000 H 0 0 0
- 9.0516 0.8253 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 27 29 1 0
- 3 4 1 0
- 9 11 1 0
- 10 13 1 0
- 16 17 1 0
- 19 21 1 0
- 3 30 1 0
- 5 31 1 0
- 5 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 11 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 13 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 18 51 1 0
- 18 52 1 0
- 19 53 1 0
- 20 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 23 60 1 0
- 23 61 1 0
- 24 62 1 0
- 24 63 1 0
- 24 64 1 0
- 25 65 1 0
- 25 66 1 0
- 26 67 1 0
- 26 68 1 0
- 27 69 1 0
- 28 70 1 0
- 28 71 1 0
- 28 72 1 0
- 29 73 1 0
- 29 74 1 0
- 29 75 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-130-01-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 51 1 V2000
- 2.6484 -0.4249 -0.5917 C 0 0 2
- 1.6678 -0.9442 0.4232 C 0 0 1
- 4.0021 -0.6137 0.0667 N 0 0 0
- 2.4850 1.0613 -0.7669 C 0 0 0
- 2.4299 -1.3747 1.6630 C 0 0 0
- 0.3041 -0.9677 0.3203 O 0 0 0
- 3.6994 -0.4690 1.5373 C 0 0 0
- 4.6988 0.6611 -0.2589 C 0 0 0
- 3.6220 1.6740 -0.5501 C 0 0 0
- 1.2138 1.7654 -1.1712 C 0 0 0
- -0.4926 -1.9739 -0.0774 C 0 0 0
- 0.1274 1.4168 -0.2756 O 0 0 0
- -1.9328 -1.9218 0.2086 C 0 0 0
- -0.0233 -2.9241 -0.6723 O 0 0 0
- -1.0693 2.0172 -0.4147 C 0 0 0
- -2.5155 -0.7694 0.9850 C 0 0 0
- -2.7278 -2.8987 -0.2212 C 0 0 0
- -2.2068 1.6666 0.5086 C 0 0 2
- -1.2316 2.8411 -1.2835 O 0 0 0
- -2.8607 0.3683 0.0214 C 0 0 2
- -2.5574 -3.4517 -1.6127 C 0 0 0
- -3.2398 2.7953 0.5002 C 0 0 0
- -1.7076 1.4849 1.8351 O 0 0 0
- -4.3790 0.5501 -0.0299 C 0 0 0
- 2.8163 -1.3788 0.0000 H 0 0 0
- 1.4262 -0.0062 0.0000 H 0 0 0
- 1.8362 -2.1400 0.0000 H 0 0 0
- 3.1009 -2.0732 0.0000 H 0 0 0
- 4.2577 0.3225 0.0000 H 0 0 0
- 3.0127 0.2141 0.0000 H 0 0 0
- 5.5063 0.1262 0.0000 H 0 0 0
- 5.3002 1.4203 0.0000 H 0 0 0
- 3.7478 2.6344 0.0000 H 0 0 0
- 1.8792 2.4693 0.0000 H 0 0 0
- 0.6977 2.5850 0.0000 H 0 0 0
- -3.4699 -0.6044 0.0000 H 0 0 0
- -3.0915 -1.5481 0.0000 H 0 0 0
- -3.6786 -2.7138 0.0000 H 0 0 0
- -1.8957 0.2851 0.0000 H 0 0 0
- -3.4830 -3.7369 0.0000 H 0 0 0
- -2.2722 -4.3773 0.0000 H 0 0 0
- -1.6318 -3.1665 0.0000 H 0 0 0
- -2.5253 3.4492 0.0000 H 0 0 0
- -3.8937 3.5098 0.0000 H 0 0 0
- -3.9543 2.1414 0.0000 H 0 0 0
- -0.7974 1.1536 0.0000 H 0 0 0
- -4.2638 1.5118 0.0000 H 0 0 0
- -5.3407 0.6653 0.0000 H 0 0 0
- -4.4942 -0.4116 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 6 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 20 24 1 0
- 5 7 1 0
- 8 9 1 0
- 18 20 1 0
- 1 25 1 0
- 2 26 1 0
- 5 27 1 0
- 5 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 10 34 1 0
- 10 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 24 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13010-08-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.5960 -0.9513 -0.2248 N 0 0 0
- -0.7320 -0.6792 0.0641 C 0 0 0
- 1.4476 0.0899 -0.8054 C 0 0 0
- 1.0836 -2.1197 0.0224 N 0 0 0
- -1.2886 0.5164 -0.3232 N 0 0 0
- -1.4514 -1.5551 0.7017 N 0 0 0
- 2.2214 0.7962 0.3096 C 0 0 0
- 2.2506 -2.3588 -0.2315 O 0 0 0
- -2.6430 0.7725 -0.0724 N 0 3 0
- 3.1107 1.8836 -0.2967 C 0 0 0
- -3.3240 -0.0589 0.5009 O 0 0 0
- -3.1395 1.8264 -0.4276 O 0 5 0
- 3.8846 2.5900 0.8183 C 0 0 0
- 1.2065 0.9793 0.0000 H 0 0 0
- 0.5464 0.2824 0.0000 H 0 0 0
- -0.7229 1.2438 0.0000 H 0 0 0
- -2.0363 -2.2672 0.0000 H 0 0 0
- 2.4625 -0.0932 0.0000 H 0 0 0
- 3.1226 0.6037 0.0000 H 0 0 0
- 2.8696 2.7730 0.0000 H 0 0 0
- 2.2095 2.0761 0.0000 H 0 0 0
- 4.5058 1.9094 0.0000 H 0 0 0
- 4.5652 3.2112 0.0000 H 0 0 0
- 3.2634 3.2706 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 10 20 1 0
- 10 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-134-58-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.4922 0.9423 -0.0025 C 0 0 0
- -0.7420 -0.4364 -0.0019 C 0 0 0
- 0.7696 1.3894 -0.0014 N 0 0 0
- -1.7137 1.5487 0.0011 N 0 0 0
- 0.3668 -1.3230 -0.0001 C 0 0 0
- -2.0728 -0.6159 -0.0029 N 0 0 0
- 1.7862 0.5566 0.0003 C 0 0 0
- -2.6715 0.5237 0.0039 N 0 0 0
- 1.6105 -0.7953 0.0010 N 0 0 0
- 0.2008 -2.5302 0.0009 O 0 0 0
- 3.0611 1.0623 0.0010 N 0 0 0
- -1.8952 2.5503 0.0000 H 0 0 0
- 2.4212 -1.4108 0.0000 H 0 0 0
- 3.8592 0.4306 0.0000 H 0 0 0
- 3.2092 2.0693 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 7 11 1 0
- 6 8 2 0
- 7 9 1 0
- 4 12 1 0
- 9 13 1 0
- 11 14 1 0
- 11 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-137-66-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 67 1 V2000
- 7.4122 0.1660 0.7942 C 0 0 1
- 7.5003 -1.2235 0.4631 O 0 0 0
- 8.6321 0.8237 0.1925 C 0 0 0
- 6.1502 0.7608 0.1662 C 0 0 2
- 8.6251 -1.4160 -0.2516 C 0 0 0
- 9.3303 -0.1509 -0.4222 C 0 0 0
- 8.9588 2.1327 0.2581 O 0 0 0
- 4.9166 0.0593 0.7382 C 0 0 0
- 6.1898 0.5749 -1.2501 O 0 0 0
- 8.9986 -2.4877 -0.6899 O 0 0 0
- 10.5038 0.0180 -1.0943 O 0 0 0
- 3.7189 0.6238 0.1423 O 0 0 0
- 2.5103 0.1597 0.4964 C 0 0 0
- 1.2672 0.7456 -0.1221 C 0 0 0
- 2.4189 -0.7278 1.3112 O 0 0 0
- 0.0337 0.0441 0.4499 C 0 0 0
- -1.2283 0.6390 -0.1780 C 0 0 0
- -2.4619 -0.0625 0.3940 C 0 0 0
- -3.7239 0.5324 -0.2340 C 0 0 0
- -4.9574 -0.1691 0.3380 C 0 0 0
- -6.2195 0.4257 -0.2899 C 0 0 0
- -7.4530 -0.2757 0.2821 C 0 0 0
- -8.7150 0.3191 -0.3459 C 0 0 0
- -9.9485 -0.3824 0.2262 C 0 0 0
- -11.2106 0.2125 -0.4018 C 0 0 0
- -12.4441 -0.4890 0.1702 C 0 0 0
- -13.7061 0.1058 -0.4578 C 0 0 0
- -14.9397 -0.5956 0.1143 C 0 0 0
- -16.2017 -0.0008 -0.5137 C 0 0 0
- 7.3839 1.2120 0.0000 H 0 0 0
- 6.1101 1.8064 0.0000 H 0 0 0
- 9.2122 3.1479 0.0000 H 0 0 0
- 4.2876 -0.7769 0.0000 H 0 0 0
- 5.6077 -0.7263 0.0000 H 0 0 0
- 6.4078 -0.4485 0.0000 H 0 0 0
- 11.5395 0.1671 0.0000 H 0 0 0
- 1.8962 1.5818 0.0000 H 0 0 0
- 0.5761 1.5312 0.0000 H 0 0 0
- -0.5953 -0.7921 0.0000 H 0 0 0
- 0.7248 -0.7415 0.0000 H 0 0 0
- -0.5993 1.4752 0.0000 H 0 0 0
- -1.9194 1.4246 0.0000 H 0 0 0
- -3.0909 -0.8987 0.0000 H 0 0 0
- -1.7708 -0.8481 0.0000 H 0 0 0
- -3.0949 1.3686 0.0000 H 0 0 0
- -4.4150 1.3180 0.0000 H 0 0 0
- -5.5863 -1.0053 0.0000 H 0 0 0
- -4.2662 -0.9547 0.0000 H 0 0 0
- -5.5905 1.2619 0.0000 H 0 0 0
- -6.9106 1.2113 0.0000 H 0 0 0
- -8.0820 -1.1119 0.0000 H 0 0 0
- -6.7619 -1.0613 0.0000 H 0 0 0
- -8.0860 1.1553 0.0000 H 0 0 0
- -9.4061 1.1047 0.0000 H 0 0 0
- -10.5775 -1.2186 0.0000 H 0 0 0
- -9.2574 -1.1680 0.0000 H 0 0 0
- -10.5816 1.0487 0.0000 H 0 0 0
- -11.9017 0.9981 0.0000 H 0 0 0
- -13.0731 -1.3252 0.0000 H 0 0 0
- -11.7530 -1.2746 0.0000 H 0 0 0
- -13.0771 0.9420 0.0000 H 0 0 0
- -14.3972 0.8915 0.0000 H 0 0 0
- -15.5687 -1.4318 0.0000 H 0 0 0
- -14.2486 -1.3813 0.0000 H 0 0 0
- -15.7556 0.9457 0.0000 H 0 0 0
- -17.1482 0.4453 0.0000 H 0 0 0
- -16.6478 -0.9473 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 8 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 1 0
- 20 21 1 0
- 21 22 1 0
- 22 23 1 0
- 23 24 1 0
- 24 25 1 0
- 25 26 1 0
- 26 27 1 0
- 27 28 1 0
- 28 29 1 0
- 5 6 1 0
- 1 30 1 0
- 4 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 11 36 1 0
- 14 37 1 0
- 14 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 26 59 1 0
- 26 60 1 0
- 27 61 1 0
- 27 62 1 0
- 28 63 1 0
- 28 64 1 0
- 29 65 1 0
- 29 66 1 0
- 29 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-137-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 66 66 1 V2000
- 1.1612 0.3220 0.0143 C 0 0 0
- 0.0000 0.0013 0.7145 C 0 0 0
- 2.3972 0.6643 0.7476 C 0 0 0
- 1.1555 0.3135 -1.3833 C 0 0 0
- -1.1615 -0.3209 0.0147 C 0 0 0
- 3.5190 0.9742 0.0691 O 0 0 0
- 2.4020 0.6664 1.9623 O 0 0 0
- 0.0029 -0.0116 -2.0700 C 0 0 0
- -2.3976 -0.6619 0.7487 C 0 0 0
- -1.1544 -0.3203 -1.3825 C 0 0 0
- 4.7338 1.3106 0.7898 C 0 0 0
- -3.5193 -0.9730 0.0708 O 0 0 0
- -2.4023 -0.6616 1.9633 O 0 0 0
- 5.9505 0.8983 -0.0412 C 0 0 0
- 4.7759 2.8191 1.0420 C 0 0 0
- -4.7341 -1.3081 0.7921 C 0 0 0
- 5.9083 -0.6101 -0.2935 C 0 0 0
- 6.0560 3.1736 1.8014 C 0 0 0
- -5.9508 -0.8974 -0.0396 C 0 0 0
- -4.7762 -2.8161 1.0472 C 0 0 0
- 7.1250 -1.0224 -1.1245 C 0 0 0
- -5.9086 0.6106 -0.2948 C 0 0 0
- -6.0563 -3.1691 1.8073 C 0 0 0
- 7.0828 -2.5309 -1.3768 C 0 0 0
- -7.1253 1.0213 -1.1265 C 0 0 0
- 8.2995 -2.9432 -2.2077 C 0 0 0
- -7.0832 2.5293 -1.3817 C 0 0 0
- -8.2999 2.9400 -2.2134 C 0 0 0
- -0.2568 0.9289 0.0000 H 0 0 0
- 1.7206 -0.4656 0.0000 H 0 0 0
- 0.2576 -0.9398 0.0000 H 0 0 0
- -0.9892 -1.2685 0.0000 H 0 0 0
- 4.7066 0.3485 0.0000 H 0 0 0
- 6.9052 0.7759 0.0000 H 0 0 0
- 6.1672 1.8361 0.0000 H 0 0 0
- 4.6123 3.7676 0.0000 H 0 0 0
- 3.8159 2.7504 0.0000 H 0 0 0
- -4.7070 -0.3460 0.0000 H 0 0 0
- 4.9536 -0.4877 0.0000 H 0 0 0
- 5.6916 -1.5479 0.0000 H 0 0 0
- 6.3129 2.2460 0.0000 H 0 0 0
- 6.9836 3.4305 0.0000 H 0 0 0
- 5.7991 4.1012 0.0000 H 0 0 0
- -6.9055 -0.7753 0.0000 H 0 0 0
- -6.1668 -1.8353 0.0000 H 0 0 0
- -4.6133 -3.7647 0.0000 H 0 0 0
- -3.8161 -2.7477 0.0000 H 0 0 0
- 8.0797 -1.1448 0.0000 H 0 0 0
- 7.3417 -0.0846 0.0000 H 0 0 0
- -4.9539 0.4885 0.0000 H 0 0 0
- -5.6926 1.5485 0.0000 H 0 0 0
- -6.3122 -2.2412 0.0000 H 0 0 0
- -6.9842 -3.4250 0.0000 H 0 0 0
- -5.8004 -4.0970 0.0000 H 0 0 0
- 6.1281 -2.4085 0.0000 H 0 0 0
- 6.8661 -3.4687 0.0000 H 0 0 0
- -8.0800 1.1433 0.0000 H 0 0 0
- -7.3413 0.0833 0.0000 H 0 0 0
- 7.9906 -3.8548 0.0000 H 0 0 0
- 9.2111 -3.2521 0.0000 H 0 0 0
- 8.6084 -2.0316 0.0000 H 0 0 0
- -6.1285 2.4073 0.0000 H 0 0 0
- -6.8672 3.4673 0.0000 H 0 0 0
- -7.9921 3.8519 0.0000 H 0 0 0
- -9.2118 3.2478 0.0000 H 0 0 0
- -8.6077 2.0281 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 9 12 1 0
- 9 13 2 0
- 11 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 1 0
- 16 19 1 0
- 16 20 1 0
- 17 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 8 10 1 0
- 2 29 1 0
- 4 30 1 0
- 8 31 1 0
- 10 32 1 0
- 11 33 1 0
- 14 34 1 0
- 14 35 1 0
- 15 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 18 41 1 0
- 18 42 1 0
- 18 43 1 0
- 19 44 1 0
- 19 45 1 0
- 20 46 1 0
- 20 47 1 0
- 21 48 1 0
- 21 49 1 0
- 22 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
- 23 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 25 58 1 0
- 26 59 1 0
- 26 60 1 0
- 26 61 1 0
- 27 62 1 0
- 27 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1397-89-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-138140 1 V2000
- 5.7509 0.3438 1.6976 C 0 0 2
- 6.9375 -0.1357 2.4860 C 0 0 1
- 5.5918 -0.2858 0.4787 O 0 0 0
- 5.4747 1.8076 1.7831 C 0 0 0
- 6.8432 -1.6566 2.7055 C 0 0 2
- 8.2033 0.1858 1.7341 C 0 0 0
- 5.4068 -1.6862 0.6634 C 0 0 1
- 4.7597 2.3233 0.5230 C 0 0 1
- 6.6483 -2.2953 1.3207 C 0 0 0
- 5.7126 -1.9498 3.5288 O 0 0 0
- 9.3083 0.5486 2.4043 O 0 0 0
- 8.2236 0.1170 0.5280 O 0 0 0
- 4.1987 -1.9333 1.5633 C 0 0 0
- 5.1966 -2.3106 -0.6099 O 0 0 0
- 4.5533 1.2392 -0.3848 O 0 0 0
- 3.4299 2.9047 0.9206 C 0 0 0
- 2.9456 -2.1733 0.7199 C 0 0 2
- 4.2574 1.8171 -1.6578 C 0 0 2
- 3.1138 4.1639 0.5909 C 0 0 0
- 2.0970 -3.2687 1.3646 C 0 0 0
- 3.3276 -2.5792 -0.5959 O 0 0 0
- 3.9584 0.7050 -2.6658 C 0 0 2
- 5.3741 2.5848 -2.1026 O 0 0 0
- 1.8510 4.6618 0.9803 C 0 0 0
- 1.0802 -3.7923 0.3502 C 0 0 2
- 5.1765 -0.2202 -2.7646 C 0 0 2
- 3.6930 1.2814 -3.9462 O 0 0 0
- 6.5267 1.7471 -2.0386 C 0 0 1
- 1.3772 5.8766 0.5915 C 0 0 0
- -0.1153 -4.4008 1.0907 C 0 0 1
- 1.6935 -4.7917 -0.4665 O 0 0 0
- 6.4135 0.6293 -3.0777 C 0 0 1
- 4.9654 -1.1942 -3.8438 N 0 0 0
- 7.7789 2.5800 -2.3200 C 0 0 0
- 0.0812 6.1999 1.0122 C 0 0 0
- -1.1964 -4.7670 0.0725 C 0 0 0
- 0.3033 -5.5775 1.7850 O 0 0 0
- 7.5816 -0.1920 -3.0231 O 0 0 0
- -0.7085 7.1627 0.4801 C 0 0 0
- -2.3822 -5.4203 0.7869 C 0 0 0
- -2.0353 7.2202 0.9272 C 0 0 0
- -3.5221 -5.6217 -0.2140 C 0 0 2
- -3.0736 7.6234 0.1792 C 0 0 0
- -4.8548 -5.6976 0.5337 C 0 0 0
- -3.3119 -6.8360 -0.9374 O 0 0 0
- -4.3960 7.4403 0.5940 C 0 0 0
- -5.9451 -5.0318 -0.3054 C 0 0 2
- -5.1882 6.5470 -0.0193 C 0 0 0
- -6.8008 -4.1376 0.5931 C 0 0 0
- -6.7687 -6.0367 -0.9003 O 0 0 0
- -6.4586 6.1532 0.4254 C 0 0 0
- -7.4838 -3.0884 -0.2446 C 0 0 0
- -6.9757 5.0194 -0.1186 C 0 0 0
- -7.8706 -1.9318 0.3184 O 0 0 0
- -7.6828 -3.2865 -1.4197 O 0 0 0
- -8.2001 4.4571 0.3044 C 0 0 0
- -8.5239 -0.9211 -0.4962 C 0 0 2
- -8.5398 3.2494 -0.1632 C 0 0 0
- -8.7186 0.3525 0.3275 C 0 0 1
- -9.8858 -1.4418 -0.9599 C 0 0 0
- -9.8224 2.5957 0.2725 C 0 0 1
- -9.8726 1.1640 -0.2674 C 0 0 1
- -9.0502 -0.0211 1.7736 C 0 0 0
- -9.8867 2.5669 1.8009 C 0 0 0
- -9.7541 1.1875 -1.6913 O 0 0 0
- 4.8104 0.3725 0.0000 H 0 0 0
- 7.0011 0.8031 0.0000 H 0 0 0
- 6.4123 1.7287 0.0000 H 0 0 0
- 5.8012 2.6900 0.0000 H 0 0 0
- 7.7691 -1.8242 0.0000 H 0 0 0
- 5.2260 3.1405 0.0000 H 0 0 0
- 6.2795 -3.1609 0.0000 H 0 0 0
- 7.5323 -2.6175 0.0000 H 0 0 0
- 4.8018 -2.1860 0.0000 H 0 0 0
- 10.2023 0.8421 0.0000 H 0 0 0
- 3.8936 -2.8234 0.0000 H 0 0 0
- 4.8200 -2.6400 0.0000 H 0 0 0
- 4.8964 -3.2023 0.0000 H 0 0 0
- 2.7116 2.2969 0.0000 H 0 0 0
- 2.4534 -1.3714 0.0000 H 0 0 0
- 3.4892 2.3604 0.0000 H 0 0 0
- 3.8208 4.7847 0.0000 H 0 0 0
- 2.1884 -4.2052 0.0000 H 0 0 0
- 3.0010 -3.5295 0.0000 H 0 0 0
- 3.9725 -3.2644 0.0000 H 0 0 0
- 3.2246 0.1160 0.0000 H 0 0 0
- 1.1844 3.9977 0.0000 H 0 0 0
- 0.6514 -2.9548 0.0000 H 0 0 0
- 5.9577 -0.7447 0.0000 H 0 0 0
- 3.2995 2.1361 0.0000 H 0 0 0
- 7.3326 1.2614 0.0000 H 0 0 0
- 1.9988 6.5829 0.0000 H 0 0 0
- -0.4806 -3.5337 0.0000 H 0 0 0
- 2.1856 -5.5937 0.0000 H 0 0 0
- 5.6040 1.1090 0.0000 H 0 0 0
- 4.0694 -1.4814 0.0000 H 0 0 0
- 5.6621 -1.8266 0.0000 H 0 0 0
- 8.3000 1.7966 0.0000 H 0 0 0
- 8.5623 3.1011 0.0000 H 0 0 0
- 7.2578 3.3634 0.0000 H 0 0 0
- -0.4219 5.4048 0.0000 H 0 0 0
- -1.0670 -3.8350 0.0000 H 0 0 0
- -1.9716 -4.2337 0.0000 H 0 0 0
- 0.6187 -6.4640 0.0000 H 0 0 0
- 8.3513 -0.7332 0.0000 H 0 0 0
- -0.2878 8.0043 0.0000 H 0 0 0
- -2.6051 -6.3344 0.0000 H 0 0 0
- -1.6350 -5.9921 0.0000 H 0 0 0
- -2.2286 6.2993 0.0000 H 0 0 0
- -3.6309 -4.6871 0.0000 H 0 0 0
- -2.9643 8.5580 0.0000 H 0 0 0
- -5.5740 -6.3043 0.0000 H 0 0 0
- -4.5069 -6.5718 0.0000 H 0 0 0
- -3.1514 -7.7631 0.0000 H 0 0 0
- -4.8400 8.2699 0.0000 H 0 0 0
- -5.3551 -4.2989 0.0000 H 0 0 0
- -4.6781 5.7563 0.0000 H 0 0 0
- -7.7354 -4.2461 0.0000 H 0 0 0
- -7.1198 -5.0228 0.0000 H 0 0 0
- -7.3651 -6.7644 0.0000 H 0 0 0
- -7.0803 6.8595 0.0000 H 0 0 0
- -6.3095 4.3549 0.0000 H 0 0 0
- -8.9154 5.0685 0.0000 H 0 0 0
- -7.6442 -0.5872 0.0000 H 0 0 0
- -7.8122 2.6528 0.0000 H 0 0 0
- -7.9188 0.8482 0.0000 H 0 0 0
- -10.2218 -0.5629 0.0000 H 0 0 0
- -10.7647 -1.7778 0.0000 H 0 0 0
- -9.5498 -2.3207 0.0000 H 0 0 0
- -10.2285 3.4445 0.0000 H 0 0 0
- -10.7151 0.7451 0.0000 H 0 0 0
- -9.7539 0.6035 0.0000 H 0 0 0
- -9.6748 -0.7248 0.0000 H 0 0 0
- -8.3465 -0.6457 0.0000 H 0 0 0
- -10.2713 3.4256 0.0000 H 0 0 0
- -10.7454 2.1823 0.0000 H 0 0 0
- -9.5021 1.7082 0.0000 H 0 0 0
- -8.8311 1.3705 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 8 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 19 24 1 0
- 20 25 1 0
- 22 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 2 0
- 25 30 1 0
- 25 31 1 0
- 26 32 1 0
- 26 33 1 0
- 28 34 1 0
- 29 35 1 0
- 30 36 1 0
- 30 37 1 0
- 32 38 1 0
- 35 39 2 0
- 36 40 1 0
- 39 41 1 0
- 40 42 1 0
- 41 43 2 0
- 42 44 1 0
- 42 45 1 0
- 43 46 1 0
- 44 47 1 0
- 46 48 2 0
- 47 49 1 0
- 47 50 1 0
- 48 51 1 0
- 49 52 1 0
- 51 53 2 0
- 52 54 1 0
- 52 55 2 0
- 53 56 1 0
- 54 57 1 0
- 56 58 2 0
- 57 59 1 0
- 57 60 1 0
- 58 61 1 0
- 59 62 1 0
- 59 63 1 0
- 61 64 1 0
- 62 65 1 0
- 7 9 1 0
- 28 32 1 0
- 61 62 1 0
- 1 66 1 0
- 2 67 1 0
- 4 68 1 0
- 4 69 1 0
- 5 70 1 0
- 8 71 1 0
- 9 72 1 0
- 9 73 1 0
- 10 74 1 0
- 11 75 1 0
- 13 76 1 0
- 13 77 1 0
- 14 78 1 0
- 16 79 1 0
- 17 80 1 0
- 18 81 1 0
- 19 82 1 0
- 20 83 1 0
- 20 84 1 0
- 21 85 1 0
- 22 86 1 0
- 24 87 1 0
- 25 88 1 0
- 26 89 1 0
- 27 90 1 0
- 28 91 1 0
- 29 92 1 0
- 30 93 1 0
- 31 94 1 0
- 32 95 1 0
- 33 96 1 0
- 33 97 1 0
- 34 98 1 0
- 34 99 1 0
- 34100 1 0
- 35101 1 0
- 36102 1 0
- 36103 1 0
- 37104 1 0
- 38105 1 0
- 39106 1 0
- 40107 1 0
- 40108 1 0
- 41109 1 0
- 42110 1 0
- 43111 1 0
- 44112 1 0
- 44113 1 0
- 45114 1 0
- 46115 1 0
- 47116 1 0
- 48117 1 0
- 49118 1 0
- 49119 1 0
- 50120 1 0
- 51121 1 0
- 53122 1 0
- 56123 1 0
- 57124 1 0
- 58125 1 0
- 59126 1 0
- 60127 1 0
- 60128 1 0
- 60129 1 0
- 61130 1 0
- 62131 1 0
- 63132 1 0
- 63133 1 0
- 63134 1 0
- 64135 1 0
- 64136 1 0
- 64137 1 0
- 65138 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1445-69-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.3582 0.7046 -0.0023 C 0 0 0
- -0.3582 -0.7044 -0.0016 C 0 0 0
- 0.9412 1.4112 -0.0011 C 0 0 0
- -1.5619 1.3952 0.0016 C 0 0 0
- 0.9410 -1.4113 0.0003 C 0 0 0
- -1.5620 -1.3950 -0.0023 C 0 0 0
- 2.0839 0.6976 0.0007 N 0 0 0
- 0.9777 2.6261 -0.0012 O 0 0 0
- -2.7540 0.6919 0.0062 C 0 0 0
- 2.0839 -0.6979 0.0014 N 0 0 0
- 0.9772 -2.6262 0.0014 O 0 0 0
- -2.7540 -0.6917 -0.0036 C 0 0 0
- -1.5682 2.4333 0.0000 H 0 0 0
- -1.5683 -2.4331 0.0000 H 0 0 0
- 2.9918 1.2010 0.0000 H 0 0 0
- -3.6554 1.2067 0.0000 H 0 0 0
- 2.9917 -1.2014 0.0000 H 0 0 0
- -3.6554 -1.2065 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 10 1 0
- 9 12 1 0
- 4 13 1 0
- 6 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-148-82-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 37 1 V2000
- -0.7989 0.0948 -0.2399 C 0 0 0
- -2.1755 -0.0582 -0.0601 N 0 0 0
- -0.1872 1.3038 0.0651 C 0 0 0
- -0.0374 -0.9640 -0.7189 C 0 0 0
- -2.8298 -1.3111 -0.4452 C 0 0 0
- -2.9652 1.0343 0.5136 C 0 0 0
- 1.1745 1.4515 -0.1134 C 0 0 0
- 1.3234 -0.8096 -0.8950 C 0 0 0
- -2.7309 -2.3132 0.7067 C 0 0 0
- -3.4079 1.9837 -0.6015 C 0 0 0
- 1.9285 0.3975 -0.5952 C 0 0 0
- -3.5361 -3.8552 0.2327 Cl 0 0 0
- -4.3798 3.3283 0.1046 Cl 0 0 0
- 3.4138 0.5625 -0.7892 C 0 0 0
- 4.1533 -0.0161 0.4188 C 0 0 1
- 5.6197 -0.1440 0.0961 C 0 0 0
- 3.9818 0.8776 1.5720 N 0 0 0
- 6.0904 -1.2758 -0.4508 O 0 0 0
- 6.3718 0.7724 0.3297 O 0 0 0
- -0.7634 2.1366 0.0000 H 0 0 0
- -0.4477 -1.8899 0.0000 H 0 0 0
- -3.5268 -0.5765 0.0000 H 0 0 0
- -3.7508 -1.7321 0.0000 H 0 0 0
- -3.9776 1.0587 0.0000 H 0 0 0
- -3.4369 0.1381 0.0000 H 0 0 0
- 1.5883 2.3758 0.0000 H 0 0 0
- 1.9032 -1.6399 0.0000 H 0 0 0
- -2.0338 -3.0478 0.0000 H 0 0 0
- -1.8099 -1.8922 0.0000 H 0 0 0
- -2.3955 1.9593 0.0000 H 0 0 0
- -2.9362 2.8798 0.0000 H 0 0 0
- 4.2252 1.1685 0.0000 H 0 0 0
- 3.0419 1.5044 0.0000 H 0 0 0
- 3.7819 -0.9583 0.0000 H 0 0 0
- 4.7477 1.5402 0.0000 H 0 0 0
- 3.0251 1.2096 0.0000 H 0 0 0
- 6.4793 -2.2109 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 16 18 1 0
- 16 19 2 0
- 8 11 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 14 32 1 0
- 14 33 1 0
- 15 34 1 0
- 17 35 1 0
- 17 36 1 0
- 18 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-149-30-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 16 1 V2000
- -0.7544 0.7135 -0.0029 C 0 0 0
- -1.0234 -0.6740 -0.0011 C 0 0 0
- 0.5522 1.0567 -0.0023 N 0 0 0
- -1.8811 1.5679 0.0006 C 0 0 0
- 0.6085 -1.3765 0.0013 S 0 0 0
- -2.2984 -1.1813 -0.0010 C 0 0 0
- 1.5162 0.1631 -0.0002 C 0 0 0
- -3.1510 1.0523 0.0053 C 0 0 0
- -3.3776 -0.3163 -0.0028 C 0 0 0
- 3.2596 0.4182 0.0004 S 0 0 0
- -1.7446 2.5993 0.0000 H 0 0 0
- -2.4523 -2.2103 0.0000 H 0 0 0
- -3.9635 1.7021 0.0000 H 0 0 0
- -4.3493 -0.6882 0.0000 H 0 0 0
- 4.2891 0.5688 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 5 7 1 0
- 8 9 1 0
- 4 11 1 0
- 6 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-149-32-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 0.6823 -0.2285 -0.2599 C 0 0 1
- -0.6823 0.2285 0.2599 C 0 0 2
- 1.7788 0.6507 0.3447 C 0 0 0
- 0.9029 -1.5899 0.1141 O 0 0 0
- -1.7788 -0.6507 -0.3447 C 0 0 0
- -0.9029 1.5899 -0.1141 O 0 0 0
- 3.0532 0.2239 -0.1409 O 0 0 0
- -3.0532 -0.2239 0.1409 O 0 0 0
- 0.5008 0.7898 0.0000 H 0 0 0
- -0.5008 -0.7898 0.0000 H 0 0 0
- 2.2871 1.5515 0.0000 H 0 0 0
- 0.9906 1.3205 0.0000 H 0 0 0
- 1.0683 -2.6109 0.0000 H 0 0 0
- -2.2871 -1.5515 0.0000 H 0 0 0
- -0.9906 -1.3205 0.0000 H 0 0 0
- -1.0683 2.6109 0.0000 H 0 0 0
- 4.0340 -0.1046 0.0000 H 0 0 0
- -4.0340 0.1046 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 1 9 1 0
- 2 10 1 0
- 3 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1686-14-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.1529 -1.0762 0.0941 C 0 0 2
- -1.2335 -0.4438 0.1472 C 0 0 0
- 1.2488 -0.0529 0.4158 C 0 0 0
- 0.6500 -1.0142 -1.3679 C 0 0 0
- -1.3604 0.8838 -0.5685 C 0 0 0
- -1.2652 0.7942 0.8563 O 0 0 0
- -2.4341 -1.3888 0.2278 C 0 0 0
- 1.0888 0.4180 -1.0404 C 0 0 1
- 0.8316 0.9928 1.4517 C 0 0 0
- 2.6113 -0.6817 0.7146 C 0 0 0
- -0.0585 1.4138 -1.1373 C 0 0 0
- -0.0067 -2.1183 0.0000 H 0 0 0
- 0.6327 -2.0683 0.0000 H 0 0 0
- 1.6913 -1.1789 0.0000 H 0 0 0
- -2.2622 1.4298 0.0000 H 0 0 0
- -3.0861 -0.5604 0.0000 H 0 0 0
- -3.2625 -2.0408 0.0000 H 0 0 0
- -1.7821 -2.2172 0.0000 H 0 0 0
- 1.9638 1.0061 0.0000 H 0 0 0
- 1.8108 1.3835 0.0000 H 0 0 0
- 0.4409 1.9720 0.0000 H 0 0 0
- -0.1476 0.6021 0.0000 H 0 0 0
- 2.1695 -1.6389 0.0000 H 0 0 0
- 3.5685 -1.1235 0.0000 H 0 0 0
- 3.0531 0.2755 0.0000 H 0 0 0
- 0.7482 2.0926 0.0000 H 0 0 0
- -0.6033 2.3164 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 5 11 1 0
- 4 8 1 0
- 5 6 1 0
- 8 11 1 0
- 1 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1747-60-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.4240 0.8185 0.0023 C 0 0 0
- 0.1747 -0.5722 0.0002 C 0 0 0
- 1.7276 1.1798 0.0025 N 0 0 0
- -0.7131 1.6585 -0.0016 C 0 0 0
- -1.0928 -1.0987 -0.0002 C 0 0 0
- 1.8164 -1.2516 -0.0014 S 0 0 0
- 2.7025 0.3004 0.0008 C 0 0 0
- -1.9769 1.1289 -0.0070 C 0 0 0
- -2.1874 -0.2466 0.0015 C 0 0 0
- 4.0659 0.5191 0.0007 N 0 0 0
- -3.4509 -0.7494 0.0007 O 0 0 0
- -4.3405 0.3689 0.0029 C 0 0 0
- -0.5889 2.6914 0.0000 H 0 0 0
- -1.2317 -2.1298 0.0000 H 0 0 0
- -2.7969 1.7692 0.0000 H 0 0 0
- 4.7222 -0.2881 0.0000 H 0 0 0
- 4.4368 1.4911 0.0000 H 0 0 0
- -3.5263 1.0166 0.0000 H 0 0 0
- -4.9882 1.1831 0.0000 H 0 0 0
- -5.1547 -0.2788 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 5 9 2 0
- 7 10 1 0
- 9 11 1 0
- 11 12 1 0
- 6 7 1 0
- 8 9 1 0
- 4 13 1 0
- 5 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18172-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 49 1 V2000
- 0.3412 -0.0166 -0.7458 C 0 0 1
- -0.6888 0.0327 0.3845 C 0 0 2
- 1.4981 0.8975 -0.5587 C 0 0 0
- 0.7566 -1.5032 -0.7603 C 0 0 2
- -1.5006 -1.1760 0.0931 N 0 0 0
- -1.6266 1.2007 0.2486 C 0 0 0
- 2.7798 0.3684 -0.0936 C 0 0 0
- 1.7050 2.2033 -0.7220 C 0 0 0
- -0.5297 -2.2266 -0.2580 C 0 0 0
- 1.8482 -1.8814 0.2383 C 0 0 0
- -2.7963 -0.8570 0.1832 C 0 0 0
- -2.9677 0.6041 0.1955 C 0 0 0
- -1.3382 2.3785 0.1947 O 0 0 0
- 3.0201 -0.9622 0.2519 C 0 0 0
- 3.7077 1.4140 -0.0502 C 0 0 0
- 3.0172 2.5275 -0.4202 N 0 0 0
- -1.0977 -3.1139 -1.3675 C 0 0 0
- -0.2059 -3.0736 0.9743 C 0 0 0
- -3.7057 -1.6623 0.2459 O 0 0 0
- -4.1648 1.2865 0.1638 C 0 0 0
- 4.3039 -1.2413 0.6099 C 0 0 0
- 5.0104 1.0977 0.3323 C 0 0 0
- -4.1881 2.7776 0.3810 C 0 0 0
- -5.3090 0.6235 -0.0603 O 0 0 0
- 5.2635 -0.2316 0.6435 C 0 0 0
- 0.0312 0.9498 0.0000 H 0 0 0
- -0.2282 0.9371 0.0000 H 0 0 0
- 0.8472 -2.5140 0.0000 H 0 0 0
- 0.9575 2.8898 0.0000 H 0 0 0
- 1.3402 -2.7600 0.0000 H 0 0 0
- 2.6146 -2.5467 0.0000 H 0 0 0
- 3.4000 3.4674 0.0000 H 0 0 0
- -1.9525 -2.5667 0.0000 H 0 0 0
- -1.6449 -3.9687 0.0000 H 0 0 0
- -0.2429 -3.6611 0.0000 H 0 0 0
- -1.1539 -3.4360 0.0000 H 0 0 0
- 0.1565 -4.0216 0.0000 H 0 0 0
- 0.7421 -2.7112 0.0000 H 0 0 0
- 4.6022 -2.2113 0.0000 H 0 0 0
- 5.7458 1.7972 0.0000 H 0 0 0
- -3.1733 2.7935 0.0000 H 0 0 0
- -4.2040 3.7924 0.0000 H 0 0 0
- -5.2029 2.7617 0.0000 H 0 0 0
- -6.1871 0.1147 0.0000 H 0 0 0
- 6.2372 -0.5178 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 2 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 11 19 2 0
- 12 20 2 0
- 14 21 1 0
- 15 22 2 0
- 20 23 1 0
- 20 24 1 0
- 21 25 2 0
- 5 9 1 0
- 10 14 1 0
- 11 12 1 0
- 15 16 1 0
- 22 25 1 0
- 1 26 1 0
- 2 27 1 0
- 4 28 1 0
- 8 29 1 0
- 10 30 1 0
- 10 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 21 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
- 24 44 1 0
- 25 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18883-66-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 32 1 V2000
- 0.1498 -0.6205 0.1196 C 0 0 1
- -1.0080 0.3797 0.1338 C 0 0 2
- 1.4190 0.0999 0.2474 N 0 0 0
- -0.0013 -1.5801 1.2717 C 0 0 0
- -2.3143 -0.3478 -0.1905 C 0 0 1
- -0.7726 1.3946 -0.8442 O 0 0 0
- 2.5370 -0.3994 -0.3158 C 0 0 0
- 0.4167 -2.7090 1.1761 O 0 0 0
- -3.4926 0.6083 0.0050 C 0 0 1
- -2.2854 -0.7970 -1.5468 O 0 0 0
- 3.7046 0.2633 -0.1983 N 0 0 0
- 2.4922 -1.4470 -0.9295 O 0 0 0
- -4.7990 -0.1191 -0.3193 C 0 0 0
- -3.5216 1.0575 1.3613 O 0 0 0
- 3.7521 1.3757 0.4532 N 0 0 0
- 4.9198 -0.2795 -0.8105 C 0 0 0
- -5.8995 0.7739 -0.1366 O 0 0 0
- 4.8073 1.9746 0.5595 O 0 0 0
- 0.9049 -1.1431 0.0000 H 0 0 0
- -1.7417 0.9320 0.0000 H 0 0 0
- 1.3748 1.0172 0.0000 H 0 0 0
- -0.9151 -1.6711 0.0000 H 0 0 0
- -3.1302 -0.7692 0.0000 H 0 0 0
- -0.5651 2.2892 0.0000 H 0 0 0
- -2.6767 1.0298 0.0000 H 0 0 0
- -2.2264 -1.7134 0.0000 H 0 0 0
- -5.4633 -0.7531 0.0000 H 0 0 0
- -4.2542 -0.8584 0.0000 H 0 0 0
- -3.5808 1.9739 0.0000 H 0 0 0
- 4.5453 -1.1180 0.0000 H 0 0 0
- 5.7583 -0.6540 0.0000 H 0 0 0
- 5.2943 0.5590 0.0000 H 0 0 0
- -6.6126 1.3525 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 7 12 2 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 15 18 2 0
- 1 19 1 0
- 2 20 1 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 9 25 1 0
- 10 26 1 0
- 13 27 1 0
- 13 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21259-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 67 1 V2000
- -1.9369 -0.1915 0.8919 C 0 0 2
- -3.3816 0.0705 0.3913 C 0 0 2
- -1.0879 0.9060 0.2367 C 0 0 2
- -1.6932 -1.5799 0.2530 C 0 0 1
- -1.8411 -0.2067 2.4264 C 0 0 0
- -3.2601 -0.2514 -1.1063 C 0 0 2
- -4.2863 1.1297 0.9644 C 0 0 0
- -4.5129 -0.2704 1.1653 O 0 0 0
- -1.2826 1.0014 -1.2606 C 0 0 2
- 0.3643 0.8244 0.6520 C 0 0 0
- -1.5850 2.2007 0.7882 O 0 0 0
- -2.3050 -1.4679 -1.1615 C 0 0 2
- -0.2965 -1.9270 0.1786 O 0 0 0
- -2.6088 0.8567 -1.7235 O 0 0 0
- -0.3120 0.1954 -2.0544 C 0 0 0
- 1.2950 -0.0094 -0.1912 C 0 0 1
- -1.0897 3.3604 0.3284 C 0 0 0
- -3.0478 -2.6509 -1.4510 O 0 0 0
- 0.1456 -3.0573 0.7519 C 0 0 0
- 0.8159 -0.2298 -1.5932 C 0 0 0
- 2.6005 0.6479 -0.2571 O 0 0 0
- -1.5125 4.6627 0.9579 C 0 0 0
- -0.3048 3.3602 -0.5903 O 0 0 0
- 1.5771 -3.4884 0.5624 C 0 0 0
- -0.6042 -3.7292 1.4200 O 0 0 0
- 1.7053 -1.0160 -2.5233 C 0 0 0
- 3.5760 0.2896 0.5924 C 0 0 0
- 4.8820 1.0415 0.6005 C 0 0 0
- 3.4070 -0.6359 1.3506 O 0 0 0
- 6.0112 0.1069 0.1622 C 0 0 0
- 5.9619 -0.0756 -1.3560 C 0 0 0
- 7.3585 0.7136 0.5595 C 0 0 0
- -1.8963 -2.5223 0.0000 H 0 0 0
- -1.9922 -1.1588 0.0000 H 0 0 0
- -0.8890 -0.3578 0.0000 H 0 0 0
- -1.6900 0.7454 0.0000 H 0 0 0
- -4.0999 -0.7247 0.0000 H 0 0 0
- -3.7188 1.9090 0.0000 H 0 0 0
- -5.1761 1.5006 0.0000 H 0 0 0
- -1.1162 1.9509 0.0000 H 0 0 0
- 1.1904 1.3212 0.0000 H 0 0 0
- 0.1327 1.7602 0.0000 H 0 0 0
- -1.8068 -0.6426 0.0000 H 0 0 0
- -0.7966 -0.6379 0.0000 H 0 0 0
- 1.7133 -0.8779 0.0000 H 0 0 0
- -3.5604 -3.4673 0.0000 H 0 0 0
- -0.5956 4.9604 0.0000 H 0 0 0
- -1.8102 5.5796 0.0000 H 0 0 0
- -2.4294 4.3650 0.0000 H 0 0 0
- 1.2991 -4.4114 0.0000 H 0 0 0
- 2.5001 -3.7664 0.0000 H 0 0 0
- 1.8551 -2.5654 0.0000 H 0 0 0
- 1.0668 -1.7383 0.0000 H 0 0 0
- 2.4276 -1.6545 0.0000 H 0 0 0
- 2.3438 -0.2937 0.0000 H 0 0 0
- 5.5805 1.7059 0.0000 H 0 0 0
- 4.3052 1.8139 0.0000 H 0 0 0
- 6.7449 -0.5184 0.0000 H 0 0 0
- 5.0313 0.1758 0.0000 H 0 0 0
- 5.7105 -1.0062 0.0000 H 0 0 0
- 6.8925 -0.3270 0.0000 H 0 0 0
- 7.7543 -0.1654 0.0000 H 0 0 0
- 8.2375 1.1094 0.0000 H 0 0 0
- 6.9627 1.5926 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 12 18 1 0
- 13 19 1 0
- 15 20 2 0
- 16 21 1 0
- 17 22 1 0
- 17 23 2 0
- 19 24 1 0
- 19 25 2 0
- 20 26 1 0
- 21 27 1 0
- 27 28 1 0
- 27 29 2 0
- 28 30 1 0
- 30 31 1 0
- 30 32 1 0
- 6 12 1 0
- 7 8 1 0
- 9 14 1 0
- 16 20 1 0
- 4 33 1 0
- 5 34 1 0
- 5 35 1 0
- 5 36 1 0
- 6 37 1 0
- 7 38 1 0
- 7 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 15 44 1 0
- 16 45 1 0
- 18 46 1 0
- 22 47 1 0
- 22 48 1 0
- 22 49 1 0
- 24 50 1 0
- 24 51 1 0
- 24 52 1 0
- 26 53 1 0
- 26 54 1 0
- 26 55 1 0
- 28 56 1 0
- 28 57 1 0
- 30 58 1 0
- 31 59 1 0
- 31 60 1 0
- 31 61 1 0
- 32 62 1 0
- 32 63 1 0
- 32 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21794-01-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 70 1 V2000
- 0.2064 -1.8488 0.4524 C 0 0 0
- -0.8836 -0.8104 0.3800 C 0 0 0
- 1.3736 -1.7382 1.1100 C 0 0 0
- 0.1997 -3.1794 -0.1902 C 0 0 0
- -0.6342 0.1038 -0.8211 C 0 0 1
- -2.2384 -1.5033 0.2209 C 0 0 2
- 1.8400 -0.5518 1.9140 C 0 0 0
- 2.1106 -3.0002 0.8923 C 0 0 0
- 1.3597 -3.8014 0.1082 O 0 0 0
- -0.6963 -3.6354 -0.8700 O 0 0 0
- -0.8606 1.5383 -0.4194 C 0 0 0
- 0.7123 -0.0579 -1.2714 O 0 0 0
- -3.3448 -0.4491 0.1474 C 0 0 0
- -2.4699 -2.3595 1.3414 O 0 0 0
- 1.6027 0.7299 1.1119 C 0 0 0
- 3.2062 -3.2691 1.3400 O 0 0 0
- -0.3868 2.1488 0.6803 C 0 0 0
- -1.6498 2.5434 -1.1621 C 0 0 0
- -4.6996 -1.1420 -0.0116 C 0 0 0
- 0.4693 1.5307 1.7552 C 0 0 0
- 2.8809 1.5708 1.1045 C 0 0 2
- -0.8688 3.5455 0.6372 C 0 0 0
- -1.6084 3.7064 -0.4796 O 0 0 0
- -2.2353 2.3546 -2.2083 O 0 0 0
- -5.8061 -0.0878 -0.0851 C 0 0 0
- 3.9577 0.8548 0.2868 C 0 0 0
- 3.3412 1.7496 2.4455 O 0 0 0
- -0.6383 4.4020 1.4656 O 0 0 0
- -7.1609 -0.7808 -0.2442 C 0 0 0
- 3.3702 0.3407 -0.9476 O 0 0 0
- 5.0648 1.8460 -0.0775 C 0 0 0
- -8.2673 0.2734 -0.3177 C 0 0 0
- 4.2220 -0.2837 -1.8046 C 0 0 0
- 5.9626 1.2707 -1.1359 C 0 0 0
- -9.6221 -0.4195 -0.4768 C 0 0 0
- 5.5739 0.2899 -1.9398 C 0 0 0
- 3.8846 -1.2696 -2.4301 O 0 0 0
- -1.6320 -0.2025 0.0000 H 0 0 0
- -1.5969 0.1567 0.0000 H 0 0 0
- -1.4894 -2.1103 0.0000 H 0 0 0
- 2.5697 -1.1819 0.0000 H 0 0 0
- 2.6763 -0.0721 0.0000 H 0 0 0
- 1.6696 -0.1729 0.0000 H 0 0 0
- -2.6057 0.1700 0.0000 H 0 0 0
- -3.8772 0.3547 0.0000 H 0 0 0
- -2.7215 -3.2902 0.0000 H 0 0 0
- 0.7907 0.2101 0.0000 H 0 0 0
- -5.4387 -1.7611 0.0000 H 0 0 0
- -4.1672 -1.9458 0.0000 H 0 0 0
- -0.4090 1.1329 0.0000 H 0 0 0
- 0.3779 0.5709 0.0000 H 0 0 0
- 2.4389 2.4277 0.0000 H 0 0 0
- -5.0670 0.5313 0.0000 H 0 0 0
- -6.3386 0.7160 0.0000 H 0 0 0
- 4.5967 0.1329 0.0000 H 0 0 0
- 4.2399 2.0987 0.0000 H 0 0 0
- -7.9000 -1.3999 0.0000 H 0 0 0
- -6.6285 -1.5846 0.0000 H 0 0 0
- 5.6560 2.6076 0.0000 H 0 0 0
- 4.3596 2.5034 0.0000 H 0 0 0
- -7.5282 0.8925 0.0000 H 0 0 0
- -8.7997 1.0772 0.0000 H 0 0 0
- 6.8802 1.5665 0.0000 H 0 0 0
- -10.0611 0.4389 0.0000 H 0 0 0
- -10.4805 -0.8585 0.0000 H 0 0 0
- -9.1831 -1.2779 0.0000 H 0 0 0
- 6.2638 -0.3836 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 2 0
- 11 17 2 0
- 11 18 1 0
- 13 19 1 0
- 15 20 1 0
- 15 21 1 0
- 17 22 1 0
- 18 23 1 0
- 18 24 2 0
- 19 25 1 0
- 21 26 1 0
- 21 27 1 0
- 22 28 2 0
- 25 29 1 0
- 26 30 1 0
- 26 31 1 0
- 29 32 1 0
- 30 33 1 0
- 31 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 2 0
- 8 9 1 0
- 17 20 1 0
- 22 23 1 0
- 34 36 2 0
- 2 38 1 0
- 5 39 1 0
- 6 40 1 0
- 7 41 1 0
- 7 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 15 47 1 0
- 19 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 21 52 1 0
- 25 53 1 0
- 25 54 1 0
- 26 55 1 0
- 27 56 1 0
- 29 57 1 0
- 29 58 1 0
- 31 59 1 0
- 31 60 1 0
- 32 61 1 0
- 32 62 1 0
- 34 63 1 0
- 35 64 1 0
- 35 65 1 0
- 35 66 1 0
- 36 67 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2270-40-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 55 1 V2000
- 0.1728 2.3110 0.1960 C 0 0 2
- -0.1664 0.9289 0.7997 C 0 0 2
- 0.1578 2.0395 -1.3163 C 0 0 2
- 1.1516 3.2620 0.8524 C 0 0 0
- -0.2549 3.5238 0.7746 O 0 0 0
- 1.0663 0.0603 0.4456 C 0 0 1
- -1.3005 0.4249 -0.1348 C 0 0 2
- -0.5178 0.9527 2.2886 C 0 0 0
- -1.0678 1.1092 -1.4956 C 0 0 2
- 1.3277 1.2670 -1.6415 O 0 0 0
- 1.9758 0.9475 -0.4171 C 0 0 0
- 1.8325 -0.3009 1.7193 C 0 0 0
- 0.6437 -1.1936 -0.3226 C 0 0 0
- -2.5865 0.8357 0.3999 O 0 0 0
- -0.7736 0.1187 -2.4827 O 0 0 0
- 3.2919 0.2687 -0.6269 C 0 0 0
- 2.9948 -1.2200 1.3322 C 0 0 0
- -0.1702 -2.0356 0.5358 O 0 0 0
- -3.6765 0.0843 0.1781 C 0 0 0
- 3.7345 -0.6739 0.1475 C 0 0 0
- -0.5715 -3.2425 0.1067 C 0 0 0
- -5.0112 0.5106 0.7329 C 0 0 0
- -3.5875 -0.9338 -0.4665 O 0 0 0
- 5.0866 -1.2610 -0.1657 C 0 0 0
- -1.5162 -4.0645 0.9450 C 0 0 0
- -0.1752 -3.6698 -0.9518 O 0 0 0
- -0.6846 2.4870 0.0000 H 0 0 0
- 1.9418 2.7277 0.0000 H 0 0 0
- 1.5136 4.1445 0.0000 H 0 0 0
- -1.2485 -0.5276 0.0000 H 0 0 0
- -0.4533 1.9044 0.0000 H 0 0 0
- -1.4695 1.0172 0.0000 H 0 0 0
- -0.5823 0.0010 0.0000 H 0 0 0
- -1.8416 1.6671 0.0000 H 0 0 0
- 2.4053 1.7992 0.0000 H 0 0 0
- 2.6896 0.1177 0.0000 H 0 0 0
- 1.8259 0.6530 0.0000 H 0 0 0
- 1.0384 -2.0620 0.0000 H 0 0 0
- 1.5964 -1.1452 0.0000 H 0 0 0
- -0.5020 -0.7957 0.0000 H 0 0 0
- 3.9788 0.9306 0.0000 H 0 0 0
- 2.3393 -1.9130 0.0000 H 0 0 0
- 3.6270 -1.9343 0.0000 H 0 0 0
- -4.7210 1.4193 0.0000 H 0 0 0
- -5.9199 0.8008 0.0000 H 0 0 0
- -5.3014 -0.3981 0.0000 H 0 0 0
- 4.7067 -2.1360 0.0000 H 0 0 0
- 5.9616 -1.6409 0.0000 H 0 0 0
- 5.4665 -0.3860 0.0000 H 0 0 0
- -2.1424 -3.3449 0.0000 H 0 0 0
- -2.2358 -4.6907 0.0000 H 0 0 0
- -0.8900 -4.7841 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 1 0
- 14 19 1 0
- 16 20 2 0
- 18 21 1 0
- 19 22 1 0
- 19 23 2 0
- 20 24 1 0
- 21 25 1 0
- 21 26 2 0
- 4 5 1 0
- 7 9 1 0
- 10 11 1 0
- 17 20 1 0
- 3 27 1 0
- 4 28 1 0
- 4 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 8 33 1 0
- 9 34 1 0
- 11 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 15 40 1 0
- 16 41 1 0
- 17 42 1 0
- 17 43 1 0
- 22 44 1 0
- 22 45 1 0
- 22 46 1 0
- 24 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23255-69-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- -0.5477 -0.5933 -0.7067 C 0 0 2
- -0.5311 -1.8903 0.1161 C 0 0 2
- 0.7717 0.1603 -0.4713 C 0 0 1
- -1.6160 0.2617 0.0502 C 0 0 2
- -0.8845 -0.8019 -2.1862 C 0 0 0
- -0.5277 -1.3498 1.5597 C 0 0 2
- 0.0020 -3.2223 -0.3207 C 0 0 0
- -1.4004 -2.9701 -0.2337 O 0 0 0
- 0.9568 0.4149 1.0214 C 0 0 1
- 1.9760 -0.5946 -1.0321 C 0 0 0
- 0.6720 1.5220 -1.1880 C 0 0 0
- -1.6607 -0.3017 1.4832 C 0 0 1
- -2.9079 0.0743 -0.5854 O 0 0 0
- 0.7216 -0.7305 1.8160 O 0 0 0
- 2.3303 0.9636 1.3082 C 0 0 0
- 3.1688 0.3439 -0.8809 C 0 0 0
- 2.2614 -1.7480 -0.2322 O 0 0 0
- 0.1395 2.4960 -0.2882 O 0 0 0
- -1.4932 0.7191 2.4532 O 0 0 0
- -3.8155 1.0632 -0.5654 C 0 0 0
- 3.3254 0.9741 0.4350 C 0 0 0
- 3.9346 0.5484 -1.7904 O 0 0 0
- -5.1564 0.8687 -1.2251 C 0 0 0
- -3.5572 2.1092 -0.0186 O 0 0 0
- 4.6452 1.5958 0.8078 C 0 0 0
- -1.3555 1.2198 0.0000 H 0 0 0
- -1.4073 0.0422 0.0000 H 0 0 0
- -1.7286 -1.3247 0.0000 H 0 0 0
- -0.3617 -1.6460 0.0000 H 0 0 0
- -1.4387 -1.7447 0.0000 H 0 0 0
- 0.0102 -4.2151 0.0000 H 0 0 0
- 0.9762 -3.0304 0.0000 H 0 0 0
- 0.3472 1.1986 0.0000 H 0 0 0
- 1.1718 -1.1769 0.0000 H 0 0 0
- 1.6181 1.2209 0.0000 H 0 0 0
- 1.3035 2.2882 0.0000 H 0 0 0
- -2.5855 -0.6631 0.0000 H 0 0 0
- 2.1376 1.9376 0.0000 H 0 0 0
- 2.4999 -2.7118 0.0000 H 0 0 0
- -0.3368 3.3672 0.0000 H 0 0 0
- -1.3324 1.6989 0.0000 H 0 0 0
- -5.2989 1.8513 0.0000 H 0 0 0
- -6.1390 0.7262 0.0000 H 0 0 0
- -5.0139 -0.1139 0.0000 H 0 0 0
- 5.0683 0.6976 0.0000 H 0 0 0
- 5.5434 2.0189 0.0000 H 0 0 0
- 4.2221 2.4940 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 15 21 2 0
- 16 22 2 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 6 12 1 0
- 7 8 1 0
- 9 14 1 0
- 16 21 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 15 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 23 42 1 0
- 23 43 1 0
- 23 44 1 0
- 25 45 1 0
- 25 46 1 0
- 25 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23282-20-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 2.1775 0.0569 -0.1957 C 0 0 1
- 0.8058 0.3010 -0.8869 C 0 0 2
- 1.8292 -1.0238 0.8397 C 0 0 1
- 3.4640 0.0243 -1.0010 C 0 0 0
- 3.1662 1.0373 -0.0340 O 0 0 0
- -0.0778 0.9514 0.1855 C 0 0 2
- 0.3805 -1.1580 -1.1374 C 0 0 1
- 0.9788 1.1237 -2.1755 C 0 0 0
- 1.1431 -0.3657 1.9031 O 0 0 0
- 0.8269 -1.9467 0.1008 C 0 0 1
- -0.1033 0.1440 1.4743 C 0 0 2
- -1.4768 1.2675 -0.2901 C 0 0 2
- 0.5777 2.3226 0.5468 C 0 0 0
- -0.9622 -1.3453 -1.4865 O 0 0 0
- 1.4933 -3.1452 -0.3007 O 0 0 0
- -1.1763 -0.8888 1.5581 C 0 0 0
- -2.4635 0.1554 -0.1943 C 0 0 0
- -1.5725 2.0169 -1.4764 O 0 0 0
- -0.1135 2.9039 1.6542 O 0 0 0
- -2.2658 -0.8978 0.8084 C 0 0 0
- -3.4359 0.1039 -0.9332 O 0 0 0
- -3.2976 -1.9814 0.9758 C 0 0 0
- 2.6422 -1.5440 0.0000 H 0 0 0
- 3.5396 -0.9379 0.0000 H 0 0 0
- 4.4132 0.1992 0.0000 H 0 0 0
- 1.3392 -1.0466 0.0000 H 0 0 0
- 1.9233 0.9251 0.0000 H 0 0 0
- 1.1774 2.0682 0.0000 H 0 0 0
- 0.0343 1.3223 0.0000 H 0 0 0
- -0.0149 -2.4189 0.0000 H 0 0 0
- -0.9854 0.5358 0.0000 H 0 0 0
- -2.3991 1.5521 0.0000 H 0 0 0
- 1.4103 1.8344 0.0000 H 0 0 0
- 1.1344 3.1110 0.0000 H 0 0 0
- -1.9181 -1.4786 0.0000 H 0 0 0
- 1.9623 -3.9888 0.0000 H 0 0 0
- -0.8118 -1.7825 0.0000 H 0 0 0
- -1.6948 2.9743 0.0000 H 0 0 0
- -0.8522 3.5251 0.0000 H 0 0 0
- -3.9966 -1.3158 0.0000 H 0 0 0
- -3.9632 -2.6804 0.0000 H 0 0 0
- -2.5986 -2.6470 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 12 18 1 0
- 13 19 1 0
- 16 20 2 0
- 17 21 2 0
- 20 22 1 0
- 4 5 1 0
- 7 10 1 0
- 9 11 1 0
- 17 20 1 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 16 37 1 0
- 18 38 1 0
- 19 39 1 0
- 22 40 1 0
- 22 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2349-67-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- 1.8145 0.0809 -0.0015 C 0 0 0
- 0.4330 -1.0514 -0.0008 S 0 0 0
- 1.1959 1.2454 -0.0010 N 0 0 0
- 3.1773 -0.1924 0.0024 N 0 0 0
- -0.8723 0.1680 0.0003 C 0 0 0
- -0.1791 1.2903 0.0000 N 0 0 0
- -2.6188 -0.0658 0.0006 S 0 0 0
- 3.5108 -1.1801 0.0000 H 0 0 0
- 3.8659 0.5903 0.0000 H 0 0 0
- -3.6520 -0.2041 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 6 2 0
- 4 8 1 0
- 4 9 1 0
- 7 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-24815-24-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 88 93 1 V2000
- -3.8693 0.2045 -0.2797 C 0 0 0
- -2.7570 -0.8121 -0.3259 C 0 0 2
- -3.7301 1.4529 -0.7864 C 0 0 0
- -5.1264 0.0548 0.2389 N 0 0 0
- -1.8113 -0.4266 -1.3812 N 0 0 0
- -3.3218 -2.2008 -0.6262 C 0 0 0
- -4.9812 2.1435 -0.5730 C 0 0 0
- -2.4565 1.9373 -1.4333 C 0 0 0
- -5.8323 1.2140 0.0805 C 0 0 0
- -0.6598 -1.3286 -1.2763 C 0 0 0
- -1.3453 0.9325 -1.0919 C 0 0 0
- -2.1667 -3.2122 -0.6189 C 0 0 1
- -5.4189 3.4356 -0.8822 C 0 0 0
- -7.1329 1.5676 0.4319 C 0 0 0
- -1.1033 -2.7519 -1.6178 C 0 0 2
- -1.5635 -3.2618 0.7869 C 0 0 1
- -6.7024 3.7612 -0.5231 C 0 0 0
- -7.5415 2.8566 0.1165 C 0 0 0
- 0.0944 -3.6975 -1.5876 C 0 0 0
- -0.3772 -4.2268 0.8049 C 0 0 2
- -1.0967 -1.8845 1.1821 C 0 0 0
- -8.8034 3.2448 0.4404 O 0 0 0
- 0.6885 -3.7376 -0.1785 C 0 0 2
- -0.8179 -5.5306 0.4200 O 0 0 0
- -1.9046 -1.0793 1.8896 O 0 0 0
- 0.0049 -1.5050 0.8619 O 0 0 0
- -8.9442 4.5980 0.0034 C 0 0 0
- 1.1158 -2.4263 0.1957 O 0 0 0
- -0.5274 -6.4042 1.5130 C 0 0 0
- -1.3379 -0.1021 2.8019 C 0 0 0
- 2.3999 -2.3064 -0.2011 C 0 0 0
- 3.1052 -1.0995 0.0353 C 0 0 0
- 2.9523 -3.2340 -0.7617 O 0 0 0
- 4.3909 -0.9796 -0.3621 C 0 0 0
- 5.1220 0.2714 -0.1170 C 0 0 0
- 6.4538 0.3976 -0.5279 C 0 0 0
- 4.4861 1.3419 0.5228 C 0 0 0
- 7.1381 1.5755 -0.2957 C 0 0 0
- 5.1766 2.5164 0.7515 C 0 0 0
- 6.5039 2.6364 0.3458 C 0 0 0
- 8.4324 1.6990 -0.6946 O 0 0 0
- 4.5596 3.5571 1.3726 O 0 0 0
- 7.1799 3.7935 0.5721 O 0 0 0
- 8.7940 0.4622 -1.3123 C 0 0 0
- 3.2252 3.1342 1.6600 C 0 0 0
- 6.9664 4.6265 -0.5693 C 0 0 0
- -2.0473 -1.5213 0.0000 H 0 0 0
- -5.5652 -0.8475 0.0000 H 0 0 0
- -4.2036 -1.7222 0.0000 H 0 0 0
- -3.8951 -3.0242 0.0000 H 0 0 0
- -1.6752 2.5668 0.0000 H 0 0 0
- -2.9558 2.8076 0.0000 H 0 0 0
- 0.2551 -1.7403 0.0000 H 0 0 0
- -0.1408 -0.4699 0.0000 H 0 0 0
- -0.4486 0.4824 0.0000 H 0 0 0
- -0.7786 1.7605 0.0000 H 0 0 0
- -2.5580 -4.1361 0.0000 H 0 0 0
- -4.7377 4.1722 0.0000 H 0 0 0
- -7.8275 0.8436 0.0000 H 0 0 0
- -1.8495 -2.0812 0.0000 H 0 0 0
- -1.9380 -4.1926 0.0000 H 0 0 0
- -6.9867 4.7234 0.0000 H 0 0 0
- -0.7453 -4.2467 0.0000 H 0 0 0
- 0.3484 -4.6682 0.0000 H 0 0 0
- 0.3683 -4.8983 0.0000 H 0 0 0
- 1.4377 -4.4050 0.0000 H 0 0 0
- -7.9463 4.7018 0.0000 H 0 0 0
- -9.0480 5.5959 0.0000 H 0 0 0
- -9.9421 4.4942 0.0000 H 0 0 0
- -1.4795 -6.7208 0.0000 H 0 0 0
- -0.2108 -7.3563 0.0000 H 0 0 0
- 0.4247 -6.0876 0.0000 H 0 0 0
- -0.4700 -0.6054 0.0000 H 0 0 0
- -0.8346 0.7658 0.0000 H 0 0 0
- -2.2058 0.4012 0.0000 H 0 0 0
- 2.5659 -0.2534 0.0000 H 0 0 0
- 4.9302 -1.8257 0.0000 H 0 0 0
- 6.9948 -0.4474 0.0000 H 0 0 0
- 3.4828 1.3396 0.0000 H 0 0 0
- 7.8310 0.1806 0.0000 H 0 0 0
- 9.0756 -0.5008 0.0000 H 0 0 0
- 9.7570 0.7438 0.0000 H 0 0 0
- 2.9221 4.0906 0.0000 H 0 0 0
- 2.2688 2.8311 0.0000 H 0 0 0
- 3.5283 2.1778 0.0000 H 0 0 0
- 7.9383 4.8756 0.0000 H 0 0 0
- 6.7173 5.5984 0.0000 H 0 0 0
- 5.9945 4.3774 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 16 20 1 0
- 16 21 1 0
- 18 22 1 0
- 19 23 1 0
- 20 24 1 0
- 21 25 1 0
- 21 26 2 0
- 22 27 1 0
- 23 28 1 0
- 24 29 1 0
- 25 30 1 0
- 28 31 1 0
- 31 32 1 0
- 31 33 2 0
- 32 34 2 0
- 34 35 1 0
- 35 36 2 0
- 35 37 1 0
- 36 38 1 0
- 37 39 2 0
- 38 40 2 0
- 38 41 1 0
- 39 42 1 0
- 40 43 1 0
- 41 44 1 0
- 42 45 1 0
- 43 46 1 0
- 7 9 2 0
- 8 11 1 0
- 12 15 1 0
- 17 18 1 0
- 20 23 1 0
- 39 40 1 0
- 2 47 1 0
- 4 48 1 0
- 6 49 1 0
- 6 50 1 0
- 8 51 1 0
- 8 52 1 0
- 10 53 1 0
- 10 54 1 0
- 11 55 1 0
- 11 56 1 0
- 12 57 1 0
- 13 58 1 0
- 14 59 1 0
- 15 60 1 0
- 16 61 1 0
- 17 62 1 0
- 19 63 1 0
- 19 64 1 0
- 20 65 1 0
- 23 66 1 0
- 27 67 1 0
- 27 68 1 0
- 27 69 1 0
- 29 70 1 0
- 29 71 1 0
- 29 72 1 0
- 30 73 1 0
- 30 74 1 0
- 30 75 1 0
- 32 76 1 0
- 34 77 1 0
- 36 78 1 0
- 37 79 1 0
- 44 80 1 0
- 44 81 1 0
- 44 82 1 0
- 45 83 1 0
- 45 84 1 0
- 45 85 1 0
- 46 86 1 0
- 46 87 1 0
- 46 88 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2550-75-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- 1.1423 0.4426 0.1576 C 0 0 1
- 0.0021 1.5251 0.1367 C 0 0 0
- 0.7387 -0.3701 1.4284 C 0 0 0
- 0.6814 -0.4473 -1.0028 C 0 0 0
- 2.8384 1.0516 0.1013 Cl 0 0 0
- -1.1464 0.4518 0.1042 C 0 0 2
- -0.0288 2.5237 1.6376 Cl 0 0 0
- 0.0410 2.5395 -1.3534 Cl 0 0 0
- -0.8090 -0.3639 1.3923 C 0 0 0
- 1.2461 -1.8075 1.2969 C 0 0 0
- -0.6391 -0.4420 -1.0336 C 0 0 0
- 1.7189 -1.3141 -2.0917 Cl 0 0 0
- -2.8315 1.0733 -0.0542 Cl 0 0 0
- -1.3213 -1.7972 1.2371 C 0 0 0
- 3.0491 -1.8117 1.3077 Cl 0 0 0
- -1.6317 -1.3011 -2.1695 Cl 0 0 0
- -3.1198 -1.8096 1.3630 Cl 0 0 0
- 1.8145 -0.4356 0.0000 H 0 0 0
- -1.8864 -0.3903 0.0000 H 0 0 0
- 0.1956 -2.0484 0.0000 H 0 0 0
- 1.3661 -2.8786 0.0000 H 0 0 0
- -1.4394 -2.8685 0.0000 H 0 0 0
- -0.2711 -2.0393 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 2 0
- 4 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 14 17 1 0
- 6 9 1 0
- 6 11 1 0
- 3 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-29975-16-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 35 1 V2000
- 1.4234 -0.7693 -0.0018 C 0 0 0
- 0.1398 -0.2061 -0.0009 C 0 0 0
- 2.6576 -0.0830 -0.0013 N 0 0 0
- 1.5759 -2.1381 0.0029 C 0 0 0
- -0.2156 1.2340 -0.0004 C 0 0 0
- -0.9778 -1.0294 -0.0011 C 0 0 0
- 2.8609 1.2829 0.0001 C 0 0 0
- 3.8852 -0.6948 -0.0017 C 0 0 0
- 0.4535 -2.9575 0.0080 C 0 0 0
- -1.6568 1.5469 0.0000 C 0 0 0
- 0.6025 2.2677 -0.0005 N 0 0 0
- -0.8134 -2.4070 -0.0016 C 0 0 0
- 1.9372 2.3020 0.0009 C 0 0 0
- 4.2155 1.4748 0.0005 N 0 0 0
- 4.8132 0.2070 -0.0006 N 0 0 0
- -2.3444 1.6937 -1.2087 C 0 0 0
- -2.3441 1.6926 1.2094 C 0 0 0
- -2.2060 -3.4435 -0.0018 Cl 0 0 0
- -3.6920 1.9857 -1.2002 C 0 0 0
- -3.6913 1.9846 1.2016 C 0 0 0
- -4.3641 2.1336 0.0007 C 0 0 0
- 2.5223 -2.5546 0.0000 H 0 0 0
- -1.9267 -0.6186 0.0000 H 0 0 0
- 4.0442 -1.7165 0.0000 H 0 0 0
- 0.5674 -3.9852 0.0000 H 0 0 0
- 2.3440 3.2526 0.0000 H 0 0 0
- 4.7065 2.3848 0.0000 H 0 0 0
- -2.5618 0.6828 0.0000 H 0 0 0
- -2.5608 0.6816 0.0000 H 0 0 0
- -3.9126 0.9755 0.0000 H 0 0 0
- -3.9126 0.9746 0.0000 H 0 0 0
- -5.3738 2.3565 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 2 0
- 7 14 1 0
- 8 15 2 0
- 10 16 2 0
- 10 17 1 0
- 12 18 1 0
- 16 19 1 0
- 17 20 2 0
- 19 21 2 0
- 9 12 1 0
- 11 13 1 0
- 14 15 1 0
- 20 21 1 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 9 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 19 30 1 0
- 20 31 1 0
- 21 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3048-64-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.1822 -0.9814 0.3810 C 0 0 1
- 0.7514 -0.0544 -0.4601 C 0 0 0
- -0.7939 0.0636 1.3840 C 0 0 0
- -1.3911 -1.2049 -0.5352 C 0 0 0
- -0.0408 1.2721 -0.5589 C 0 0 0
- 2.0352 0.1820 0.2929 C 0 0 0
- -1.3533 0.9796 0.2350 C 0 0 1
- -2.0654 -0.0758 -0.6192 C 0 0 0
- 3.1792 -0.1790 -0.2334 C 0 0 0
- 0.2663 -1.8380 0.0000 H 0 0 0
- 1.1996 -0.9112 0.0000 H 0 0 0
- 0.1730 0.0754 0.0000 H 0 0 0
- -0.3259 0.9098 0.0000 H 0 0 0
- -1.7896 -2.0859 0.0000 H 0 0 0
- 0.8373 1.6770 0.0000 H 0 0 0
- -0.3501 2.1882 0.0000 H 0 0 0
- 2.0949 1.1471 0.0000 H 0 0 0
- -1.8979 1.7786 0.0000 H 0 0 0
- -3.0320 -0.0491 0.0000 H 0 0 0
- 3.3883 -1.1231 0.0000 H 0 0 0
- 3.8923 0.4741 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 5 7 1 0
- 7 8 1 0
- 1 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-30516-87-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- 0.2872 -0.2119 -0.9857 C 0 0 1
- -1.0802 -0.0327 -0.4915 N 0 0 0
- 1.1619 0.9664 -0.5155 C 0 0 0
- 0.8467 -1.4106 -0.4233 O 0 0 0
- -2.0981 0.0610 -1.3662 C 0 0 0
- -1.3108 0.0322 0.8557 C 0 0 0
- 2.2847 0.2978 0.3146 C 0 0 1
- 2.2526 -1.1601 -0.2107 C 0 0 1
- -3.3640 0.2259 -0.9396 N 0 0 0
- -1.8712 -0.0039 -2.5590 O 0 0 0
- -2.5711 0.1974 1.3112 C 0 0 0
- 3.5721 0.9102 -0.0229 N 0 0 0
- 2.7808 -2.1038 0.8716 C 0 0 0
- -3.6323 0.3001 0.3797 C 0 0 0
- -2.8445 0.2715 2.7913 C 0 0 0
- 3.7415 2.0046 0.1696 N 0 3 0
- 2.6343 -3.4570 0.4365 O 0 0 0
- -4.7773 0.4494 0.7665 O 0 0 0
- 3.9110 3.0989 0.3622 N 0 5 0
- -0.2503 -0.9458 0.0000 H 0 0 0
- 1.6535 1.7318 0.0000 H 0 0 0
- 0.4136 1.4836 0.0000 H 0 0 0
- -1.1280 0.9233 0.0000 H 0 0 0
- 2.3270 1.2065 0.0000 H 0 0 0
- 3.1353 -0.9402 0.0000 H 0 0 0
- -3.5444 -0.6657 0.0000 H 0 0 0
- 3.6094 -2.4792 0.0000 H 0 0 0
- 3.3962 -1.4339 0.0000 H 0 0 0
- -2.6065 1.1495 0.0000 H 0 0 0
- -3.7225 0.5095 0.0000 H 0 0 0
- -3.0825 -0.6065 0.0000 H 0 0 0
- 2.5364 -4.3614 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 14 18 2 0
- 16 19 2 0
- 7 8 1 0
- 11 14 1 0
- 1 20 1 0
- 3 21 1 0
- 3 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 9 26 1 0
- 13 27 1 0
- 13 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-309-00-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 29 1 V2000
- 0.3785 -1.1453 -0.1763 C 0 0 1
- -0.3129 -0.8030 -1.5323 C 0 0 2
- 1.4469 0.0046 -0.0973 C 0 0 0
- -0.6203 -0.6514 0.8768 C 0 0 0
- 0.9916 -2.8312 0.0046 Cl 0 0 0
- -0.3184 0.7592 -1.5539 C 0 0 2
- -1.8206 -1.1688 -1.3675 C 0 0 1
- 0.3689 1.1431 -0.2070 C 0 0 1
- 2.3185 0.0294 1.4808 Cl 0 0 0
- 2.5807 -0.0095 -1.4992 Cl 0 0 0
- -0.6259 0.6692 0.8588 C 0 0 0
- -1.5810 -1.6570 1.9157 Cl 0 0 0
- -1.8287 1.1191 -1.4009 C 0 0 2
- -2.2972 -0.0124 -0.4156 C 0 0 0
- -2.4539 -0.7051 -2.6844 C 0 0 0
- 0.9648 2.8374 -0.0481 Cl 0 0 0
- -1.5958 1.6943 1.8698 Cl 0 0 0
- -2.4584 0.6125 -2.7036 C 0 0 0
- -0.4222 -1.7851 0.0000 H 0 0 0
- -0.4541 1.7380 0.0000 H 0 0 0
- -2.0140 -2.1379 0.0000 H 0 0 0
- -2.0461 2.0831 0.0000 H 0 0 0
- -3.0809 0.5896 0.0000 H 0 0 0
- -3.0819 -0.6131 0.0000 H 0 0 0
- -3.3345 -1.1536 0.0000 H 0 0 0
- -3.3504 1.0378 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 2 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 11 17 1 0
- 13 18 1 0
- 6 8 1 0
- 8 11 1 0
- 13 14 1 0
- 15 18 2 0
- 2 19 1 0
- 6 20 1 0
- 7 21 1 0
- 13 22 1 0
- 14 23 1 0
- 14 24 1 0
- 15 25 1 0
- 18 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-315-22-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 48 1 V2000
- 2.4753 0.6260 -0.7741 C 0 0 2
- 1.8523 -0.7604 -1.1135 C 0 0 1
- 3.8798 0.2059 -0.3510 N 0 0 0
- 1.8438 1.3013 0.4349 C 0 0 0
- 2.7808 -1.7768 -0.5199 C 0 0 0
- 0.4360 -0.7757 -0.8866 O 0 0 0
- 3.5147 -0.9731 0.5553 C 0 0 0
- 4.1327 1.3099 0.6819 C 0 0 0
- 2.7447 1.5878 1.3197 C 0 0 0
- 0.3779 1.4315 0.6897 C 0 0 0
- -0.1490 -1.7394 -0.1376 C 0 0 0
- -0.2787 1.5131 -0.6071 O 0 0 0
- -1.7394 -1.7834 -0.2945 C 0 0 1
- 0.3659 -2.5739 0.5412 O 0 0 0
- -1.5892 1.2667 -0.7989 C 0 0 0
- -2.1867 -0.6672 0.6862 C 0 0 1
- -2.0342 -1.3361 -1.7276 C 0 0 0
- -2.5077 0.7136 0.1608 C 0 0 2
- -2.0475 1.5453 -1.8990 O 0 0 0
- -3.4700 -1.2058 1.3901 C 0 0 0
- -1.2305 -0.6417 1.7740 O 0 0 0
- -3.8881 0.8023 -0.3621 C 0 0 0
- -2.4261 1.5724 1.3421 O 0 0 0
- 2.9504 1.3926 0.0000 H 0 0 0
- 1.4929 -1.5876 0.0000 H 0 0 0
- 2.1336 -2.4049 0.0000 H 0 0 0
- 3.4281 -2.4048 0.0000 H 0 0 0
- 3.9100 -1.7837 0.0000 H 0 0 0
- 4.4139 -0.9040 0.0000 H 0 0 0
- 5.0136 1.1166 0.0000 H 0 0 0
- 4.3179 2.1926 0.0000 H 0 0 0
- 2.6950 2.4883 0.0000 H 0 0 0
- -0.1575 0.7057 0.0000 H 0 0 0
- 0.7484 0.6092 0.0000 H 0 0 0
- -2.1560 -2.5833 0.0000 H 0 0 0
- -1.2812 -0.8398 0.0000 H 0 0 0
- -2.5305 -0.5831 0.0000 H 0 0 0
- -2.7872 -1.8324 0.0000 H 0 0 0
- -3.8190 -0.3742 0.0000 H 0 0 0
- -4.3016 -1.5548 0.0000 H 0 0 0
- -3.1210 -2.0374 0.0000 H 0 0 0
- -0.3290 -0.6177 0.0000 H 0 0 0
- -3.8303 1.7023 0.0000 H 0 0 0
- -4.7881 0.8601 0.0000 H 0 0 0
- -3.9459 -0.0977 0.0000 H 0 0 0
- -2.3408 2.4702 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 6 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 17 1 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 16 21 1 0
- 18 22 1 0
- 18 23 1 0
- 5 7 1 0
- 8 9 1 0
- 16 18 1 0
- 1 24 1 0
- 2 25 1 0
- 5 26 1 0
- 5 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 10 33 1 0
- 10 34 1 0
- 13 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
- 21 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 23 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-320-67-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 0.4519 -0.3609 0.4467 C 0 0 2
- -0.9455 -0.0606 0.1254 N 0 0 0
- 1.2164 0.8643 0.4617 O 0 0 0
- 1.0732 -1.1998 -0.6920 C 0 0 1
- -1.9285 -0.4071 0.9819 C 0 0 0
- -1.2575 0.5701 -1.0280 C 0 0 0
- 2.5867 0.4604 0.2495 C 0 0 1
- 2.5099 -0.6471 -0.8247 C 0 0 1
- 1.1254 -2.5725 -0.2983 O 0 0 0
- -3.1985 -0.1271 0.6761 N 0 0 0
- -1.6596 -0.9725 2.0281 O 0 0 0
- -2.5080 0.8366 -1.3112 N 0 0 0
- 3.3888 1.6441 -0.2949 C 0 0 0
- 3.4479 -1.6790 -0.5128 O 0 0 0
- -3.4857 0.4874 -0.4629 C 0 0 0
- 3.3842 2.7038 0.6638 O 0 0 0
- -4.7919 0.7732 -0.7731 N 0 0 0
- -0.0720 -1.1738 0.0000 H 0 0 0
- 0.1607 -1.5203 0.0000 H 0 0 0
- -0.6640 1.3337 0.0000 H 0 0 0
- 3.5009 0.1448 0.0000 H 0 0 0
- 3.4235 -0.3298 0.0000 H 0 0 0
- 1.1622 -3.5390 0.0000 H 0 0 0
- 3.9754 0.8751 0.0000 H 0 0 0
- 4.3044 1.9556 0.0000 H 0 0 0
- 4.0984 -2.3947 0.0000 H 0 0 0
- 3.3800 3.6709 0.0000 H 0 0 0
- -5.0853 1.6948 0.0000 H 0 0 0
- -5.4433 0.0583 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 2 0
- 13 16 1 0
- 15 17 1 0
- 7 8 1 0
- 12 15 1 0
- 1 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-327-97-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 44 1 V2000
- 2.0978 0.7870 0.1547 C 0 0 2
- 2.7029 -0.5263 0.6547 C 0 0 0
- 3.0260 1.9474 0.5186 C 0 0 1
- 0.8222 0.9873 0.7669 O 0 0 0
- 4.0686 -0.7408 -0.0008 C 0 0 1
- 4.3918 1.7330 -0.1369 C 0 0 1
- 2.4609 3.1740 0.0516 O 0 0 0
- -0.0925 0.4101 -0.0398 C 0 0 0
- 4.9969 0.4197 0.3632 C 0 0 0
- 4.6647 -2.0343 0.4917 C 0 0 0
- 3.9120 -0.7983 -1.4200 O 0 0 0
- 4.2351 1.6753 -1.5561 O 0 0 0
- -1.4666 0.4452 0.3076 C 0 0 0
- 0.2618 -0.1404 -1.0651 O 0 0 0
- 4.9027 -2.2079 1.8013 O 0 0 0
- 4.9283 -2.9151 -0.2922 O 0 0 0
- -2.3825 -0.1327 -0.5001 C 0 0 0
- -3.8068 -0.0963 -0.1400 C 0 0 0
- -4.7576 -0.6944 -0.9754 C 0 0 0
- -4.2162 0.5316 1.0421 C 0 0 0
- -6.0944 -0.6568 -0.6317 C 0 0 0
- -5.5518 0.5643 1.3771 C 0 0 0
- -6.4948 -0.0244 0.5448 C 0 0 0
- -7.0209 -1.2365 -1.4411 O 0 0 0
- -7.8104 0.0111 0.8805 O 0 0 0
- 1.5081 0.0071 0.0000 H 0 0 0
- 1.7522 -0.7548 0.0000 H 0 0 0
- 2.7421 -1.5033 0.0000 H 0 0 0
- 3.6157 2.7273 0.0000 H 0 0 0
- 4.9815 2.5129 0.0000 H 0 0 0
- 2.0518 4.0620 0.0000 H 0 0 0
- 5.6571 -0.3015 0.0000 H 0 0 0
- 5.8112 0.9609 0.0000 H 0 0 0
- 2.9942 -1.1353 0.0000 H 0 0 0
- 3.3176 1.3375 0.0000 H 0 0 0
- -1.7261 1.3879 0.0000 H 0 0 0
- 5.6926 -2.7841 0.0000 H 0 0 0
- -2.1230 -1.0754 0.0000 H 0 0 0
- -4.4999 -1.6376 0.0000 H 0 0 0
- -3.7400 1.3855 0.0000 H 0 0 0
- -5.8096 1.5074 0.0000 H 0 0 0
- -7.8498 -1.7551 0.0000 H 0 0 0
- -8.7878 0.0375 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 8 14 2 0
- 10 15 1 0
- 10 16 2 0
- 13 17 2 0
- 17 18 1 0
- 18 19 2 0
- 18 20 1 0
- 19 21 1 0
- 20 22 2 0
- 21 23 2 0
- 21 24 1 0
- 23 25 1 0
- 6 9 1 0
- 22 23 1 0
- 1 26 1 0
- 2 27 1 0
- 2 28 1 0
- 3 29 1 0
- 6 30 1 0
- 7 31 1 0
- 9 32 1 0
- 9 33 1 0
- 11 34 1 0
- 12 35 1 0
- 13 36 1 0
- 15 37 1 0
- 17 38 1 0
- 19 39 1 0
- 20 40 1 0
- 22 41 1 0
- 24 42 1 0
- 25 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-32795-84-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- -1.6721 -0.3370 -0.0022 C 0 0 0
- -3.1372 -0.2153 -0.0016 C 0 0 0
- -0.8669 0.8856 -0.0002 C 0 0 0
- -1.0616 -1.5800 0.0010 C 0 0 0
- -3.7223 1.0681 0.0010 C 0 0 0
- -3.9515 -1.3490 -0.0030 C 0 0 0
- 0.5212 0.8073 -0.0003 C 0 0 0
- -1.5399 2.1835 0.0024 C 0 0 0
- 0.3341 -1.6648 0.0007 C 0 0 0
- -2.8839 2.2627 0.0025 C 0 0 0
- -5.1197 1.1821 0.0017 C 0 0 0
- -5.3205 -1.2043 -0.0019 C 0 0 0
- 1.1426 -0.4436 -0.0024 C 0 0 0
- 0.9890 -2.9125 0.0045 C 0 0 0
- -5.8958 0.0599 -0.0002 C 0 0 0
- 2.5483 -0.5611 -0.0021 C 0 0 0
- 2.3473 -2.9571 0.0046 C 0 0 0
- 3.1178 -1.7958 -0.0036 C 0 0 0
- 3.6332 0.9878 -0.0001 Br 0 0 0
- -1.6425 -2.4524 0.0000 H 0 0 0
- -3.5229 -2.3055 0.0000 H 0 0 0
- 1.0983 1.6823 0.0000 H 0 0 0
- -0.9693 3.0627 0.0000 H 0 0 0
- -3.3398 3.2065 0.0000 H 0 0 0
- -5.5682 2.1294 0.0000 H 0 0 0
- -5.9334 -2.0546 0.0000 H 0 0 0
- 0.4321 -3.8005 0.0000 H 0 0 0
- -6.9398 0.1531 0.0000 H 0 0 0
- 2.8277 -3.8887 0.0000 H 0 0 0
- 4.1628 -1.8762 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 2 0
- 13 16 1 0
- 14 17 2 0
- 16 18 2 0
- 16 19 1 0
- 8 10 2 0
- 9 13 2 0
- 12 15 1 0
- 17 18 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 10 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
- 17 29 1 0
- 18 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33089-61-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 46 1 V2000
- 3.4621 0.3434 -0.1748 C 0 0 0
- 4.0360 -0.1032 1.0086 C 0 0 0
- 4.1034 0.1108 -1.3851 C 0 0 0
- 2.2393 1.0202 -0.1486 N 0 0 0
- 5.2415 -0.7766 0.9786 C 0 0 0
- 3.3443 0.1473 2.3239 C 0 0 0
- 5.3083 -0.5631 -1.4079 C 0 0 0
- 1.0736 0.3186 -0.1293 C 0 0 0
- 2.2128 2.4850 -0.1419 C 0 0 0
- 5.8770 -1.0064 -0.2277 C 0 0 0
- -0.0730 0.9533 -0.1047 N 0 0 0
- 7.1922 -1.7415 -0.2565 C 0 0 0
- -1.2244 0.2602 -0.0856 C 0 0 0
- -2.3689 0.8937 -0.0611 N 0 0 0
- -3.5413 0.1881 -0.0417 C 0 0 0
- -4.7647 0.8610 -0.0155 C 0 0 0
- -3.5199 -1.2086 -0.0538 C 0 0 0
- -5.9427 0.1432 0.0035 C 0 0 0
- -4.7980 2.3676 -0.0075 C 0 0 0
- -4.7052 -1.9133 -0.0346 C 0 0 0
- -5.9139 -1.2400 -0.0034 C 0 0 0
- -7.2050 -2.0170 0.0175 C 0 0 0
- 4.5337 1.0517 0.0000 H 0 0 0
- 4.8119 -1.7178 0.0000 H 0 0 0
- 3.6966 1.1201 0.0000 H 0 0 0
- 2.3715 0.4996 0.0000 H 0 0 0
- 2.9920 -0.8255 0.0000 H 0 0 0
- 5.8805 0.2989 0.0000 H 0 0 0
- 1.0923 -0.7158 0.0000 H 0 0 0
- 3.2472 2.5037 0.0000 H 0 0 0
- 2.1941 3.5194 0.0000 H 0 0 0
- 1.1784 2.4663 0.0000 H 0 0 0
- 6.6874 -2.6446 0.0000 H 0 0 0
- 8.0953 -2.2463 0.0000 H 0 0 0
- 7.6970 -0.8384 0.0000 H 0 0 0
- -1.2056 -0.7742 0.0000 H 0 0 0
- -2.6167 -1.7133 0.0000 H 0 0 0
- -6.8500 0.6404 0.0000 H 0 0 0
- -3.7637 2.3905 0.0000 H 0 0 0
- -4.8209 3.4019 0.0000 H 0 0 0
- -5.8323 2.3447 0.0000 H 0 0 0
- -4.6906 -2.9478 0.0000 H 0 0 0
- -7.7385 -1.1305 0.0000 H 0 0 0
- -8.0915 -2.5505 0.0000 H 0 0 0
- -6.6715 -2.9035 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 8 11 2 0
- 10 12 1 0
- 11 13 1 0
- 13 14 2 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 16 19 1 0
- 17 20 2 0
- 18 21 2 0
- 21 22 1 0
- 7 10 1 0
- 20 21 1 0
- 3 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 9 31 1 0
- 9 32 1 0
- 12 33 1 0
- 12 34 1 0
- 12 35 1 0
- 13 36 1 0
- 17 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 19 41 1 0
- 20 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33419-42-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 74 80 1 V2000
- 2.2506 0.3320 -1.3629 C 0 0 2
- 1.4469 1.4540 -0.7285 C 0 0 0
- 1.3030 -0.8120 -1.6560 C 0 0 2
- 3.3140 -0.1305 -0.4005 C 0 0 0
- 0.2052 1.2536 -0.1655 C 0 0 0
- 2.0376 2.7190 -0.7446 C 0 0 0
- 0.6204 -1.1603 -0.2948 C 0 0 0
- 1.9321 -2.1235 -2.0231 C 0 0 0
- 4.4556 -0.7465 -0.8785 C 0 0 0
- 3.1478 0.0673 0.9572 C 0 0 0
- -0.4590 -0.1110 -0.1073 C 0 0 2
- -0.5126 2.3112 0.3962 C 0 0 0
- 1.3351 3.7710 -0.1822 C 0 0 0
- 0.1078 -2.5641 -0.6515 C 0 0 0
- 1.2005 -3.1165 -1.4652 O 0 0 0
- 2.9218 -2.2686 -2.7009 O 0 0 0
- 5.4363 -1.1735 0.0036 C 0 0 0
- 4.1241 -0.3568 1.8463 C 0 0 0
- -1.4172 -0.2196 -1.1619 O 0 0 0
- 0.0663 3.5686 0.3829 C 0 0 0
- 1.6629 5.0773 -0.0606 O 0 0 0
- 5.2705 -0.9815 1.3703 C 0 0 0
- 6.5588 -1.7797 -0.4675 O 0 0 0
- 3.9595 -0.1621 3.1821 O 0 0 0
- -2.7060 -0.0515 -0.5679 C 0 0 2
- -0.3948 4.7502 0.8521 O 0 0 0
- 0.7603 5.6114 0.9303 C 0 0 0
- 6.2306 -1.3996 2.2395 O 0 0 0
- 6.4350 -1.8298 -1.8903 C 0 0 0
- 3.3882 -1.3621 3.7071 C 0 0 0
- -3.0627 -1.2394 0.1389 O 0 0 0
- -3.7361 0.2427 -1.6596 C 0 0 1
- -4.2628 -0.9604 0.8541 C 0 0 1
- -5.1139 0.4440 -1.0157 C 0 0 2
- -3.3605 1.4294 -2.3615 O 0 0 0
- -5.4164 -0.7742 -0.1382 C 0 0 2
- -4.6084 -2.1166 1.7950 C 0 0 0
- -6.1062 0.5527 -2.0382 O 0 0 0
- -6.6266 -0.5731 0.5901 O 0 0 0
- -5.8722 -1.8486 2.4090 O 0 0 0
- -6.8415 -1.7500 1.3686 C 0 0 1
- -8.2434 -1.7079 1.9801 C 0 0 0
- 2.8399 1.0611 0.0000 H 0 0 0
- 0.7169 -0.0804 0.0000 H 0 0 0
- 2.9724 2.7901 0.0000 H 0 0 0
- 1.3224 -1.7816 0.0000 H 0 0 0
- 4.0455 -1.5895 0.0000 H 0 0 0
- 2.3964 0.6278 0.0000 H 0 0 0
- -0.7621 -0.9981 0.0000 H 0 0 0
- -1.4469 2.2340 0.0000 H 0 0 0
- -0.7595 -2.2082 0.0000 H 0 0 0
- -0.2819 -3.4167 0.0000 H 0 0 0
- -2.5161 0.8665 0.0000 H 0 0 0
- 1.3397 6.3484 0.0000 H 0 0 0
- 0.1059 6.2827 0.0000 H 0 0 0
- 7.0901 -1.7739 0.0000 H 0 0 0
- 6.0833 -0.9608 0.0000 H 0 0 0
- 5.5660 -2.1815 0.0000 H 0 0 0
- 6.7867 -2.6988 0.0000 H 0 0 0
- 2.5418 -0.9591 0.0000 H 0 0 0
- 2.9852 -2.2085 0.0000 H 0 0 0
- 4.2346 -1.7651 0.0000 H 0 0 0
- -3.9330 -0.6739 0.0000 H 0 0 0
- -4.0819 -0.0406 0.0000 H 0 0 0
- -4.9951 1.3739 0.0000 H 0 0 0
- -3.0776 2.3232 0.0000 H 0 0 0
- -5.5679 -1.6993 0.0000 H 0 0 0
- -4.8277 -3.0281 0.0000 H 0 0 0
- -3.7032 -2.3606 0.0000 H 0 0 0
- -7.0381 0.6548 0.0000 H 0 0 0
- -6.9030 -2.6854 0.0000 H 0 0 0
- -8.2153 -0.7709 0.0000 H 0 0 0
- -9.1804 -1.6798 0.0000 H 0 0 0
- -8.2715 -2.6449 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 2 0
- 10 18 1 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 17 22 1 0
- 17 23 1 0
- 18 24 1 0
- 19 25 1 0
- 20 26 1 0
- 21 27 1 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 25 32 1 0
- 31 33 1 0
- 32 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 1 0
- 34 38 1 0
- 36 39 1 0
- 37 40 1 0
- 39 41 1 0
- 41 42 1 0
- 7 11 1 0
- 13 20 1 0
- 14 15 1 0
- 18 22 2 0
- 26 27 1 0
- 34 36 1 0
- 40 41 1 0
- 1 43 1 0
- 3 44 1 0
- 6 45 1 0
- 7 46 1 0
- 9 47 1 0
- 10 48 1 0
- 11 49 1 0
- 12 50 1 0
- 14 51 1 0
- 14 52 1 0
- 25 53 1 0
- 27 54 1 0
- 27 55 1 0
- 28 56 1 0
- 29 57 1 0
- 29 58 1 0
- 29 59 1 0
- 30 60 1 0
- 30 61 1 0
- 30 62 1 0
- 32 63 1 0
- 33 64 1 0
- 34 65 1 0
- 35 66 1 0
- 36 67 1 0
- 37 68 1 0
- 37 69 1 0
- 38 70 1 0
- 41 71 1 0
- 42 72 1 0
- 42 73 1 0
- 42 74 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-34807-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 86 93 1 V2000
- 1.7663 0.3492 0.4520 C 0 0 2
- 1.6372 0.4048 -1.0685 C 0 0 2
- 2.1449 1.7059 1.0188 C 0 0 1
- 2.7738 -0.5814 0.8369 O 0 0 0
- 0.3954 -0.0462 1.0217 C 0 0 1
- 1.5824 -1.0627 -1.5756 C 0 0 2
- 2.8069 1.0264 -1.7696 C 0 0 1
- 1.6212 2.9117 0.2650 C 0 0 2
- 1.7095 1.9250 2.4452 C 0 0 0
- 2.8300 -1.7880 0.1116 C 0 0 2
- -0.2369 -1.1785 0.2415 C 0 0 2
- 0.5662 -0.5966 2.4530 C 0 0 0
- 0.6964 -1.9127 -0.6810 C 0 0 2
- 2.9372 -1.5312 -1.3084 O 0 0 0
- 3.2570 2.4127 -1.6254 C 0 0 2
- 3.8867 1.3366 -0.9055 O 0 0 0
- 2.5568 3.4218 -0.7809 C 0 0 1
- 1.4299 3.9505 1.3663 C 0 0 0
- 0.3422 2.6544 -0.3097 O 0 0 0
- 1.3572 3.1973 2.6204 C 0 0 0
- 1.6371 -2.5801 0.2157 O 0 0 0
- 4.0196 -2.5933 0.5670 C 0 0 0
- -1.3451 -0.6698 -0.5020 O 0 0 0
- -0.0611 -2.9169 -1.5030 C 0 0 0
- 4.0177 3.0268 -2.8144 C 0 0 0
- 1.8701 4.3544 -1.6181 O 0 0 0
- 1.3517 5.1541 1.2227 O 0 0 0
- 0.9007 3.7803 3.9345 C 0 0 0
- 4.2815 -3.8240 -0.0059 C 0 0 0
- 4.8520 -2.0990 1.5535 C 0 0 0
- -2.4625 -1.0607 0.1466 C 0 0 0
- -0.0070 -4.3794 -1.1436 C 0 0 0
- -0.7686 -2.5210 -2.5320 C 0 0 0
- 5.2816 2.3760 -2.9586 O 0 0 0
- 5.3725 -4.5626 0.4118 C 0 0 0
- 5.9433 -2.8378 1.9713 C 0 0 0
- -3.7260 -0.5787 -0.2679 C 0 0 0
- -2.3827 -1.8278 1.0879 O 0 0 0
- 6.2019 -4.0707 1.4026 C 0 0 0
- -4.8501 -0.9719 0.3846 C 0 0 0
- -6.1110 -0.4909 -0.0290 C 0 0 0
- -7.2309 -0.8827 0.6211 C 0 0 0
- -8.5445 -0.3815 0.1902 C 0 0 0
- -9.7053 -0.7843 0.8599 C 0 0 0
- -8.6399 0.5050 -0.8879 C 0 0 0
- -10.9329 -0.3100 0.4497 C 0 0 0
- -9.8755 0.9702 -1.2857 C 0 0 0
- -11.0193 0.5625 -0.6217 C 0 0 0
- 0.8566 0.8940 0.0000 H 0 0 0
- 3.0639 1.7692 0.0000 H 0 0 0
- -0.1775 0.6752 0.0000 H 0 0 0
- 0.7419 -0.6856 0.0000 H 0 0 0
- 3.1521 0.1723 0.0000 H 0 0 0
- 0.9975 1.3405 0.0000 H 0 0 0
- -0.7172 -1.9646 0.0000 H 0 0 0
- -0.3136 -0.8696 0.0000 H 0 0 0
- 0.8392 -1.4764 0.0000 H 0 0 0
- 1.4460 -0.3236 0.0000 H 0 0 0
- 3.3062 3.9575 0.0000 H 0 0 0
- -0.5609 2.4727 0.0000 H 0 0 0
- 4.5486 3.7796 0.0000 H 0 0 0
- 3.3455 3.6567 0.0000 H 0 0 0
- 1.3239 5.0962 0.0000 H 0 0 0
- 1.6260 4.3482 0.0000 H 0 0 0
- 0.3328 4.5056 0.0000 H 0 0 0
- 0.1754 3.2124 0.0000 H 0 0 0
- 3.5174 -4.3386 0.0000 H 0 0 0
- 4.8793 -1.1782 0.0000 H 0 0 0
- -0.9275 -4.4135 0.0000 H 0 0 0
- 0.0271 -5.2999 0.0000 H 0 0 0
- 0.9135 -4.3453 0.0000 H 0 0 0
- -0.7810 -1.5999 0.0000 H 0 0 0
- -1.5601 -2.9923 0.0000 H 0 0 0
- 6.1006 1.9543 0.0000 H 0 0 0
- 5.3450 -5.4834 0.0000 H 0 0 0
- 6.7081 -2.3244 0.0000 H 0 0 0
- -3.7131 0.3424 0.0000 H 0 0 0
- 7.0451 -4.4416 0.0000 H 0 0 0
- -4.8630 -1.8930 0.0000 H 0 0 0
- -6.0982 0.4302 0.0000 H 0 0 0
- -7.2438 -1.8038 0.0000 H 0 0 0
- -9.7213 -1.7053 0.0000 H 0 0 0
- -7.9116 1.0690 0.0000 H 0 0 0
- -11.6660 -0.8678 0.0000 H 0 0 0
- -9.8674 1.8913 0.0000 H 0 0 0
- -11.7974 1.0556 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 10 4 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 2 0
- 10 21 1 0
- 10 22 1 0
- 11 23 1 0
- 13 24 1 0
- 15 25 1 0
- 17 26 1 0
- 18 27 2 0
- 20 28 1 0
- 22 29 1 0
- 22 30 2 0
- 23 31 1 0
- 24 32 1 0
- 24 33 2 0
- 25 34 1 0
- 29 35 2 0
- 30 36 1 0
- 31 37 1 0
- 31 38 2 0
- 35 39 1 0
- 37 40 2 0
- 40 41 1 0
- 41 42 2 0
- 42 43 1 0
- 43 44 1 0
- 43 45 2 0
- 44 46 2 0
- 45 47 1 0
- 46 48 1 0
- 10 14 1 0
- 11 13 1 0
- 13 21 1 0
- 15 16 1 0
- 15 17 1 0
- 18 20 1 0
- 36 39 2 0
- 47 48 2 0
- 2 49 1 0
- 3 50 1 0
- 5 51 1 0
- 6 52 1 0
- 7 53 1 0
- 9 54 1 0
- 11 55 1 0
- 12 56 1 0
- 12 57 1 0
- 12 58 1 0
- 17 59 1 0
- 19 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
- 29 67 1 0
- 30 68 1 0
- 32 69 1 0
- 32 70 1 0
- 32 71 1 0
- 33 72 1 0
- 33 73 1 0
- 34 74 1 0
- 35 75 1 0
- 36 76 1 0
- 37 77 1 0
- 39 78 1 0
- 40 79 1 0
- 41 80 1 0
- 42 81 1 0
- 44 82 1 0
- 45 83 1 0
- 46 84 1 0
- 47 85 1 0
- 48 86 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3682-19-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.5065 0.5194 0.0030 C 0 0 0
- -0.9534 -0.8168 0.0013 C 0 0 0
- 0.8541 0.7927 0.0026 C 0 0 0
- -1.5144 1.6019 -0.0011 C 0 0 0
- -2.4097 -1.0749 0.0012 C 0 0 0
- -0.0307 -1.8535 -0.0007 C 0 0 0
- 1.7617 -0.2523 0.0006 C 0 0 0
- -2.8246 1.2878 -0.0062 N 0 0 0
- -1.1636 2.7655 0.0006 O 0 0 0
- -3.2672 -0.0358 0.0028 N 0 0 0
- -2.8296 -2.2155 -0.0006 O 0 0 0
- 1.3228 -1.5646 -0.0010 C 0 0 0
- 3.2134 0.0362 -0.0003 N 0 3 0
- 4.0164 -0.8797 -0.0021 O 0 0 0
- 3.6051 1.1895 0.0007 O 0 5 0
- 1.1892 1.7752 0.0000 H 0 0 0
- -0.3539 -2.8399 0.0000 H 0 0 0
- -3.5258 2.0532 0.0000 H 0 0 0
- -4.2878 -0.2253 0.0000 H 0 0 0
- 2.0144 -2.3387 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 13 14 2 0
- 13 15 1 0
- 7 12 1 0
- 8 10 1 0
- 3 16 1 0
- 6 17 1 0
- 8 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3868-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- -0.2609 1.0299 -0.3316 N 0 0 0
- -1.1220 0.0067 -0.0260 C 0 0 0
- 1.2025 0.9650 -0.3142 C 0 0 2
- -1.0179 2.1197 -0.6611 C 0 0 0
- -2.4121 0.5235 -0.1781 C 0 0 0
- -0.9580 -1.2666 0.3522 N 0 0 0
- 1.6396 -0.2278 -1.0012 O 0 0 0
- 1.6927 0.7851 1.1397 C 0 0 1
- -2.2860 1.8175 -0.5733 N 0 0 0
- -0.5277 3.3292 -1.0228 O 0 0 0
- -3.5148 -0.3231 0.0752 C 0 0 0
- -1.9914 -2.0445 0.5846 C 0 0 0
- 2.9667 -0.4929 -0.4966 C 0 0 1
- 2.8800 -0.1961 1.0169 C 0 0 1
- 2.1603 2.0380 1.6432 O 0 0 0
- -3.2724 -1.5974 0.4541 N 0 0 0
- -4.6573 0.0862 -0.0454 O 0 0 0
- -1.7746 -3.3443 0.9701 N 0 0 0
- 3.3071 -1.9695 -0.7080 C 0 0 0
- 4.0796 0.4520 1.4447 O 0 0 0
- 3.2993 -2.2646 -2.1062 O 0 0 0
- 1.3969 1.9340 0.0000 H 0 0 0
- 1.2006 -0.0720 0.0000 H 0 0 0
- -0.1565 4.2451 0.0000 H 0 0 0
- 3.9230 -0.2432 0.0000 H 0 0 0
- 2.0545 -0.7395 0.0000 H 0 0 0
- 2.5059 2.9639 0.0000 H 0 0 0
- -4.0209 -2.2427 0.0000 H 0 0 0
- -2.5375 -3.9725 0.0000 H 0 0 0
- -0.8491 -3.6909 0.0000 H 0 0 0
- 4.1902 -2.4133 0.0000 H 0 0 0
- 4.0843 -1.3590 0.0000 H 0 0 0
- 4.9491 0.9218 0.0000 H 0 0 0
- 3.2732 -3.2526 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 8 15 1 0
- 11 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 14 20 1 0
- 19 21 1 0
- 5 9 1 0
- 12 16 1 0
- 13 14 1 0
- 3 22 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 18 29 1 0
- 18 30 1 0
- 19 31 1 0
- 19 32 1 0
- 20 33 1 0
- 21 34 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38966-21-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 61 1 V2000
- 0.7164 0.2462 -0.4865 C 0 0 2
- -0.7297 0.0177 -0.8840 C 0 0 2
- 0.9432 1.7548 -0.2388 C 0 0 2
- 1.7568 -0.0029 -1.5937 C 0 0 0
- 1.0929 -0.5796 0.7360 C 0 0 0
- -1.6123 0.5142 0.2569 C 0 0 2
- -0.9872 -1.4817 -1.0948 C 0 0 0
- -1.0047 0.7461 -2.2003 C 0 0 0
- 2.4615 1.8397 -0.0784 C 0 0 0
- 0.1058 2.2023 0.9389 C 0 0 0
- 3.0151 0.6760 -0.9607 C 0 0 1
- 2.5046 -0.3024 1.2358 C 0 0 0
- -3.0902 0.2081 0.1132 C 0 0 1
- -1.3727 1.9992 0.5395 C 0 0 0
- -2.4591 -1.6373 -1.4981 C 0 0 0
- 3.5115 -0.3649 0.0782 C 0 0 2
- -3.3464 -1.2277 -0.3300 C 0 0 1
- -3.7391 0.3787 1.5083 C 0 0 0
- -3.7922 1.1872 -0.8285 C 0 0 0
- 4.9096 0.0075 0.5723 C 0 0 0
- 3.5218 -1.6711 -0.4985 O 0 0 0
- -3.1475 -2.1190 0.7684 O 0 0 0
- -5.0857 -0.0980 1.4688 O 0 0 0
- 5.3508 -0.9600 1.5269 O 0 0 0
- 1.1546 2.7114 0.0000 H 0 0 0
- 1.2740 -0.8553 0.0000 H 0 0 0
- 2.4424 -0.7027 0.0000 H 0 0 0
- 0.1726 -0.9154 0.0000 H 0 0 0
- 1.3560 -1.5233 0.0000 H 0 0 0
- -1.7627 -0.4539 0.0000 H 0 0 0
- -0.9740 -2.4613 0.0000 H 0 0 0
- -0.0105 -1.5583 0.0000 H 0 0 0
- -0.0882 1.0921 0.0000 H 0 0 0
- -1.3507 1.6626 0.0000 H 0 0 0
- -1.9212 0.4001 0.0000 H 0 0 0
- 3.3931 2.1429 0.0000 H 0 0 0
- 2.2810 2.8026 0.0000 H 0 0 0
- 0.8122 2.8811 0.0000 H 0 0 0
- -0.3212 3.0840 0.0000 H 0 0 0
- 3.8996 1.0973 0.0000 H 0 0 0
- 2.9745 0.5572 0.0000 H 0 0 0
- 1.9257 0.4879 0.0000 H 0 0 0
- -1.4096 2.9782 0.0000 H 0 0 0
- -2.3505 2.0591 0.0000 H 0 0 0
- -3.1459 -2.3360 0.0000 H 0 0 0
- -2.0333 -2.5196 0.0000 H 0 0 0
- -4.3259 -1.2488 0.0000 H 0 0 0
- -3.2009 1.1973 0.0000 H 0 0 0
- -4.3434 1.1498 0.0000 H 0 0 0
- -2.9960 1.7580 0.0000 H 0 0 0
- -4.3630 1.9834 0.0000 H 0 0 0
- -4.5884 0.6163 0.0000 H 0 0 0
- 5.8223 0.3636 0.0000 H 0 0 0
- 4.6050 0.9386 0.0000 H 0 0 0
- 3.5295 -2.6508 0.0000 H 0 0 0
- -2.9341 -3.0752 0.0000 H 0 0 0
- -6.0092 -0.4249 0.0000 H 0 0 0
- 5.7573 -1.8514 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 11 16 1 0
- 13 17 1 0
- 13 18 1 0
- 13 19 1 0
- 16 20 1 0
- 16 21 1 0
- 17 22 1 0
- 18 23 1 0
- 20 24 1 0
- 9 11 1 0
- 10 14 1 0
- 12 16 1 0
- 15 17 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 5 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 10 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 17 47 1 0
- 18 48 1 0
- 18 49 1 0
- 19 50 1 0
- 19 51 1 0
- 19 52 1 0
- 20 53 1 0
- 20 54 1 0
- 21 55 1 0
- 22 56 1 0
- 23 57 1 0
- 24 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4245-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 13 1 V2000
- 0.8755 0.0731 -0.0325 C 0 0 0
- -0.2912 0.7532 0.2256 N 0 0 0
- 2.0885 0.6663 0.2260 N 0 0 0
- 0.8314 -1.1360 -0.5172 N 0 0 0
- -1.5255 0.1056 0.0840 N 0 3 0
- 3.3317 -0.0584 -0.0490 C 0 0 0
- -1.6636 -1.0362 0.4847 O 0 0 0
- -2.4604 0.6846 -0.4397 O 0 5 0
- -0.2686 1.7657 0.0000 H 0 0 0
- 2.1254 1.6783 0.0000 H 0 0 0
- 0.7945 -2.1480 0.0000 H 0 0 0
- 2.8217 -0.9333 0.0000 H 0 0 0
- 4.2066 -0.5684 0.0000 H 0 0 0
- 3.8417 0.8165 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 5 8 1 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4245-77-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- 1.2973 0.0288 0.1782 N 0 0 0
- -0.0296 0.4104 0.0555 C 0 0 0
- 1.6378 -1.3809 0.3861 C 0 0 0
- 2.2326 0.9141 0.1041 N 0 0 0
- -1.0314 -0.5007 0.2913 N 0 0 0
- -0.3266 1.6304 -0.2829 N 0 0 0
- 1.9423 -2.0362 -0.9625 C 0 0 0
- 3.3985 0.5787 0.2119 O 0 0 0
- -2.3664 -0.1527 0.0475 N 0 3 0
- -3.2615 -0.9189 0.3560 O 0 0 0
- -2.6318 0.9160 -0.4731 O 0 5 0
- 0.7071 -1.1722 0.0000 H 0 0 0
- 1.0394 -2.1236 0.0000 H 0 0 0
- -0.8033 -1.4268 0.0000 H 0 0 0
- -0.5522 2.5571 0.0000 H 0 0 0
- 1.0773 -2.4381 0.0000 H 0 0 0
- 2.3442 -2.9012 0.0000 H 0 0 0
- 2.8073 -1.6343 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 9 10 2 0
- 9 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 7 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-427-51-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 62 1 V2000
- -2.3494 -0.7917 -0.5501 C 0 0 2
- -2.8984 -2.1660 -0.3110 C 0 0 2
- -0.9341 -0.6320 -0.0007 C 0 0 2
- -3.1835 0.3472 -0.0524 C 0 0 0
- -2.2495 -0.6138 -2.0664 C 0 0 0
- -4.3176 -2.3187 0.1819 C 0 0 1
- -3.1517 -2.5078 1.1571 C 0 0 0
- -0.3530 0.6907 -0.5199 C 0 0 2
- -0.0543 -1.8144 -0.3835 C 0 0 0
- -2.5656 1.6806 0.0191 C 0 0 0
- -4.4609 0.2003 0.3551 C 0 0 0
- -5.0776 -1.0528 0.4249 C 0 0 0
- 1.0224 0.8471 0.0935 C 0 0 1
- -1.2587 1.8336 -0.1887 C 0 0 0
- 1.3894 -1.6043 0.1106 C 0 0 0
- -3.5481 3.0663 0.3774 Cl 0 0 0
- -6.2615 -1.1154 0.6894 O 0 0 0
- 1.8914 -0.3050 -0.4837 C 0 0 2
- 1.8166 2.0807 -0.3495 C 0 0 0
- 3.3120 0.1106 -0.1199 C 0 0 1
- 1.7409 -0.3522 -2.0055 C 0 0 0
- 3.2886 1.6595 -0.0876 C 0 0 0
- 3.6715 -0.4146 1.1851 O 0 0 0
- 4.2827 -0.3775 -1.1641 C 0 0 0
- 4.8832 -0.1567 1.7018 C 0 0 0
- 4.9520 -1.7180 -1.0028 C 0 0 0
- 4.5243 0.3056 -2.1302 O 0 0 0
- 5.3062 -0.8088 2.9929 C 0 0 0
- 5.6348 0.5983 1.1318 O 0 0 0
- -1.9738 -2.6819 0.0000 H 0 0 0
- -1.3555 -1.6033 0.0000 H 0 0 0
- -1.3263 -1.1322 0.0000 H 0 0 0
- -1.7311 0.3094 0.0000 H 0 0 0
- -3.1727 -0.0954 0.0000 H 0 0 0
- -4.9114 -3.1952 0.0000 H 0 0 0
- -3.4845 -3.5129 0.0000 H 0 0 0
- -2.2120 -2.9956 0.0000 H 0 0 0
- 0.0532 1.6684 0.0000 H 0 0 0
- -0.9960 -2.2983 0.0000 H 0 0 0
- 0.2683 -2.8228 0.0000 H 0 0 0
- -5.0709 1.0657 0.0000 H 0 0 0
- 0.4636 1.7464 0.0000 H 0 0 0
- -0.8542 2.8120 0.0000 H 0 0 0
- 1.3613 -2.6627 0.0000 H 0 0 0
- 2.4275 -1.8122 0.0000 H 0 0 0
- 2.2058 3.0653 0.0000 H 0 0 0
- 0.8747 2.5642 0.0000 H 0 0 0
- 1.4241 0.6580 0.0000 H 0 0 0
- 0.7307 -0.6690 0.0000 H 0 0 0
- 2.0577 -1.3624 0.0000 H 0 0 0
- 4.3437 1.5719 0.0000 H 0 0 0
- 3.4789 2.7010 0.0000 H 0 0 0
- 4.0048 -2.1910 0.0000 H 0 0 0
- 5.4250 -2.6652 0.0000 H 0 0 0
- 5.8992 -1.2450 0.0000 H 0 0 0
- 4.4180 -1.3850 0.0000 H 0 0 0
- 5.8824 -1.6970 0.0000 H 0 0 0
- 6.1944 -0.2326 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 6 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 12 17 2 0
- 13 18 1 0
- 13 19 1 0
- 18 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 20 24 1 0
- 23 25 1 0
- 24 26 1 0
- 24 27 2 0
- 25 28 1 0
- 25 29 2 0
- 6 7 1 0
- 10 14 2 0
- 11 12 1 0
- 15 18 1 0
- 20 22 1 0
- 2 30 1 0
- 3 31 1 0
- 5 32 1 0
- 5 33 1 0
- 5 34 1 0
- 6 35 1 0
- 7 36 1 0
- 7 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 11 41 1 0
- 13 42 1 0
- 14 43 1 0
- 15 44 1 0
- 15 45 1 0
- 19 46 1 0
- 19 47 1 0
- 21 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 22 52 1 0
- 26 53 1 0
- 26 54 1 0
- 26 55 1 0
- 28 56 1 0
- 28 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4342-03-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -0.3188 -0.6526 -0.0021 C 0 0 0
- -1.6213 -0.1601 -0.0016 C 0 0 0
- 0.8301 0.0757 -0.0007 N 0 0 0
- -0.4275 -2.0182 0.0016 N 0 0 0
- -2.4529 -1.2250 -0.0027 N 0 0 0
- -2.0173 1.2535 -0.0001 C 0 0 0
- 1.9730 -0.5226 -0.0014 N 0 0 0
- -1.7537 -2.3219 0.0043 C 0 0 0
- -3.3230 1.5875 0.0003 N 0 0 0
- -1.1666 2.1237 0.0008 O 0 0 0
- 3.1563 0.2275 0.0000 N 0 0 0
- 3.0957 1.6912 0.0024 C 0 0 0
- 4.4542 -0.4520 -0.0008 C 0 0 0
- 0.3446 -2.6853 0.0000 H 0 0 0
- -2.1408 -3.2660 0.0000 H 0 0 0
- -3.5983 2.5701 0.0000 H 0 0 0
- -4.0363 0.8578 0.0000 H 0 0 0
- 4.1152 1.7334 0.0000 H 0 0 0
- 3.0535 2.7107 0.0000 H 0 0 0
- 2.0762 1.6490 0.0000 H 0 0 0
- 3.9809 -1.3560 0.0000 H 0 0 0
- 5.3582 -0.9253 0.0000 H 0 0 0
- 4.9275 0.4520 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 1 0
- 11 12 1 0
- 11 13 1 0
- 5 8 2 0
- 4 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 12 18 1 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 13 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4345-03-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 92 93 1 V2000
- -2.5166 1.4043 0.6703 C 0 0 0
- -3.5327 2.0364 -0.0208 C 0 0 0
- -1.2230 1.8051 0.6465 O 0 0 0
- -2.8183 0.2876 1.4524 C 0 0 0
- -4.8344 1.5723 0.0754 C 0 0 0
- -3.2712 3.2310 -0.9072 C 0 0 0
- -0.9382 2.5048 -0.5554 C 0 0 1
- -4.1118 -0.1770 1.5445 C 0 0 0
- -1.7175 -0.4166 2.2030 C 0 0 0
- -5.1295 0.4669 0.8564 C 0 0 0
- -5.9369 2.2750 -0.6740 C 0 0 0
- -1.8482 3.7372 -0.6439 C 0 0 0
- 0.5260 2.9487 -0.5547 C 0 0 0
- -1.1950 1.5892 -1.7539 C 0 0 0
- -4.4210 -1.3840 2.3923 C 0 0 0
- -6.4091 0.0157 0.9478 O 0 0 0
- 1.4315 1.7194 -0.4545 C 0 0 0
- -6.8612 -0.9013 0.0779 C 0 0 0
- 2.8957 2.1633 -0.4537 C 0 0 0
- -8.2793 -1.4012 0.1792 C 0 0 0
- -6.1313 -1.3258 -0.7864 O 0 0 0
- 3.8012 0.9341 -0.3535 C 0 0 1
- -8.5365 -2.4319 -0.9219 C 0 0 0
- 5.2654 1.3779 -0.3528 C 0 0 0
- 3.4962 0.1803 0.9425 C 0 0 0
- -9.9546 -2.9318 -0.8206 C 0 0 0
- 6.1708 0.1487 -0.2526 C 0 0 0
- -10.4067 -3.8487 -1.6905 O 0 0 0
- -10.6845 -2.5073 0.0436 O 0 0 0
- 7.6350 0.5925 -0.2519 C 0 0 0
- 8.5405 -0.6367 -0.1517 C 0 0 1
- 10.0047 -0.1928 -0.1510 C 0 0 0
- 8.2355 -1.3905 1.1443 C 0 0 0
- 10.9102 -1.4221 -0.0508 C 0 0 0
- 12.3744 -0.9782 -0.0501 C 0 0 0
- 13.2798 -2.2074 0.0501 C 0 0 0
- 13.0261 -3.1266 -1.1464 C 0 0 0
- 14.7440 -1.7636 0.0508 C 0 0 0
- -3.4293 4.2363 0.0000 H 0 0 0
- -4.2884 3.2613 0.0000 H 0 0 0
- -2.2659 -1.2738 0.0000 H 0 0 0
- -0.8603 -0.9650 0.0000 H 0 0 0
- -1.1691 0.4406 0.0000 H 0 0 0
- -5.3900 3.1331 0.0000 H 0 0 0
- -6.7950 2.8219 0.0000 H 0 0 0
- -6.4838 1.4169 0.0000 H 0 0 0
- -0.9743 4.2586 0.0000 H 0 0 0
- -2.2815 4.6580 0.0000 H 0 0 0
- 1.4084 3.4555 0.0000 H 0 0 0
- 0.1224 3.8828 0.0000 H 0 0 0
- -2.1748 1.8640 0.0000 H 0 0 0
- -1.4698 0.6094 0.0000 H 0 0 0
- -0.2152 1.3144 0.0000 H 0 0 0
- -5.4068 -1.1315 0.0000 H 0 0 0
- -4.6735 -2.3698 0.0000 H 0 0 0
- -3.4352 -1.6365 0.0000 H 0 0 0
- 0.5491 1.2126 0.0000 H 0 0 0
- 1.8351 0.7853 0.0000 H 0 0 0
- 3.7781 2.6702 0.0000 H 0 0 0
- 2.4921 3.0974 0.0000 H 0 0 0
- -8.4258 -0.3942 0.0000 H 0 0 0
- -9.2956 -1.3503 0.0000 H 0 0 0
- 4.4876 0.1828 0.0000 H 0 0 0
- -8.3900 -3.4389 0.0000 H 0 0 0
- -7.5202 -2.4828 0.0000 H 0 0 0
- 6.1478 1.8847 0.0000 H 0 0 0
- 4.8618 2.3121 0.0000 H 0 0 0
- 2.5529 0.5620 0.0000 H 0 0 0
- 3.1145 -0.7630 0.0000 H 0 0 0
- 4.4395 -0.2014 0.0000 H 0 0 0
- 5.2884 -0.3581 0.0000 H 0 0 0
- 6.5744 -0.7855 0.0000 H 0 0 0
- -10.8567 -4.7614 0.0000 H 0 0 0
- 8.5174 1.0993 0.0000 H 0 0 0
- 7.2314 1.5267 0.0000 H 0 0 0
- 9.2269 -1.3879 0.0000 H 0 0 0
- 10.8871 0.3140 0.0000 H 0 0 0
- 9.6011 0.7413 0.0000 H 0 0 0
- 7.2922 -1.0088 0.0000 H 0 0 0
- 7.8538 -2.3338 0.0000 H 0 0 0
- 9.1788 -1.7722 0.0000 H 0 0 0
- 10.0278 -1.9289 0.0000 H 0 0 0
- 11.3138 -2.3562 0.0000 H 0 0 0
- 13.2568 -0.4714 0.0000 H 0 0 0
- 11.9708 -0.0441 0.0000 H 0 0 0
- 12.2791 -2.3924 0.0000 H 0 0 0
- 12.0452 -2.8559 0.0000 H 0 0 0
- 12.7554 -4.1075 0.0000 H 0 0 0
- 14.0070 -3.3973 0.0000 H 0 0 0
- 15.0392 -2.7375 0.0000 H 0 0 0
- 15.7179 -1.4684 0.0000 H 0 0 0
- 14.4488 -0.7897 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 7 14 1 0
- 8 15 1 0
- 10 16 1 0
- 13 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 18 21 2 0
- 19 22 1 0
- 20 23 1 0
- 22 24 1 0
- 22 25 1 0
- 23 26 1 0
- 24 27 1 0
- 26 28 1 0
- 26 29 2 0
- 27 30 1 0
- 30 31 1 0
- 31 32 1 0
- 31 33 1 0
- 32 34 1 0
- 34 35 1 0
- 35 36 1 0
- 36 37 1 0
- 36 38 1 0
- 7 12 1 0
- 8 10 2 0
- 6 39 1 0
- 6 40 1 0
- 9 41 1 0
- 9 42 1 0
- 9 43 1 0
- 11 44 1 0
- 11 45 1 0
- 11 46 1 0
- 12 47 1 0
- 12 48 1 0
- 13 49 1 0
- 13 50 1 0
- 14 51 1 0
- 14 52 1 0
- 14 53 1 0
- 15 54 1 0
- 15 55 1 0
- 15 56 1 0
- 17 57 1 0
- 17 58 1 0
- 19 59 1 0
- 19 60 1 0
- 20 61 1 0
- 20 62 1 0
- 22 63 1 0
- 23 64 1 0
- 23 65 1 0
- 24 66 1 0
- 24 67 1 0
- 25 68 1 0
- 25 69 1 0
- 25 70 1 0
- 27 71 1 0
- 27 72 1 0
- 28 73 1 0
- 30 74 1 0
- 30 75 1 0
- 31 76 1 0
- 32 77 1 0
- 32 78 1 0
- 33 79 1 0
- 33 80 1 0
- 33 81 1 0
- 34 82 1 0
- 34 83 1 0
- 35 84 1 0
- 35 85 1 0
- 36 86 1 0
- 37 87 1 0
- 37 88 1 0
- 37 89 1 0
- 38 90 1 0
- 38 91 1 0
- 38 92 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-461-89-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.0318 -1.0067 -0.0001 N 0 0 0
- -1.1952 -0.3236 -0.0002 C 0 0 0
- 1.1393 -0.3428 0.0000 C 0 0 0
- -1.1632 1.1417 -0.0002 C 0 0 0
- -2.2580 -0.9168 0.0002 O 0 0 0
- 1.1732 1.0017 0.0004 N 0 0 0
- 2.1822 -0.9680 0.0000 O 0 0 0
- -0.0098 1.7501 -0.0001 N 0 0 0
- -0.0395 -2.0158 0.0000 H 0 0 0
- -2.0216 1.6723 0.0000 H 0 0 0
- 2.0633 1.4773 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 2 5 2 0
- 3 6 1 0
- 3 7 2 0
- 4 8 2 0
- 6 8 1 0
- 1 9 1 0
- 4 10 1 0
- 6 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-470-82-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.1879 0.3562 0.0077 C 0 0 1
- 0.0414 1.1904 0.0130 O 0 0 0
- 1.2163 -0.5351 1.2502 C 0 0 0
- 1.2228 -0.5101 -1.2522 C 0 0 0
- 2.4375 1.2390 0.0081 C 0 0 0
- -1.1463 0.4150 0.0021 C 0 0 0
- -0.0254 -1.4362 1.2352 C 0 0 0
- -0.0188 -1.4114 -1.2616 C 0 0 0
- -0.8476 -1.0841 -0.0120 C 0 0 2
- -1.9695 0.7472 1.2482 C 0 0 0
- -1.9628 0.7719 -1.2416 C 0 0 0
- 1.5771 -1.3236 0.0000 H 0 0 0
- 2.0605 -0.3370 0.0000 H 0 0 0
- 1.5859 -1.2975 0.0000 H 0 0 0
- 2.0658 -0.3072 0.0000 H 0 0 0
- 2.9378 0.5308 0.0000 H 0 0 0
- 3.1457 1.7393 0.0000 H 0 0 0
- 1.9372 1.9472 0.0000 H 0 0 0
- -0.5036 -2.1596 0.0000 H 0 0 0
- 0.6010 -2.0358 0.0000 H 0 0 0
- -0.4831 -2.1437 0.0000 H 0 0 0
- 0.6133 -2.0050 0.0000 H 0 0 0
- -1.5211 -1.6303 0.0000 H 0 0 0
- -1.6450 1.5513 0.0000 H 0 0 0
- -2.7736 1.0717 0.0000 H 0 0 0
- -2.2940 -0.0569 0.0000 H 0 0 0
- -1.6155 1.5664 0.0000 H 0 0 0
- -2.7573 1.1192 0.0000 H 0 0 0
- -2.3101 -0.0226 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 1 0
- 6 10 1 0
- 6 11 1 0
- 7 9 1 0
- 8 9 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 5 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 11 28 1 0
- 11 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-471-80-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 56 1 V2000
- -0.8652 0.6386 -0.7778 C 0 0 2
- -1.4323 -0.7632 -0.6179 C 0 0 2
- 0.5292 0.8186 -0.1933 C 0 0 1
- -1.8575 1.7084 -0.3616 C 0 0 0
- -1.9450 -0.9892 0.8219 C 0 0 0
- -0.4663 -1.8589 -1.0151 C 0 0 0
- -2.7348 -0.8328 -1.4497 C 0 0 0
- 1.4188 -0.2629 -0.8024 C 0 0 2
- 1.0705 2.1962 -0.6144 C 0 0 0
- 0.5137 0.7575 1.3300 C 0 0 0
- -2.6365 1.3705 0.9022 C 0 0 0
- -3.1891 -0.0595 0.8263 C 0 0 1
- 0.9002 -1.6344 -0.3523 C 0 0 0
- -3.8162 -0.2704 -0.5422 C 0 0 0
- 2.9035 -0.1186 -0.5552 C 0 0 1
- 2.4963 2.3211 -0.0656 C 0 0 0
- -4.0917 -0.3538 1.8937 O 0 0 0
- -5.0584 -0.0179 -0.8768 C 0 0 0
- 3.3925 1.3107 -0.7740 C 0 0 0
- 3.3041 -0.5973 0.8161 C 0 0 0
- 3.6422 -1.0143 -1.5787 C 0 0 0
- 3.3454 -1.9123 1.0824 O 0 0 0
- 3.5883 0.2024 1.6761 O 0 0 0
- -0.5161 1.6031 0.0000 H 0 0 0
- -1.0317 2.3168 0.0000 H 0 0 0
- -2.3691 2.5975 0.0000 H 0 0 0
- -2.6901 -1.6942 0.0000 H 0 0 0
- -1.3773 -1.8436 0.0000 H 0 0 0
- -1.3482 -2.3828 0.0000 H 0 0 0
- -0.1151 -2.8227 0.0000 H 0 0 0
- -3.4886 -1.5285 0.0000 H 0 0 0
- -2.3360 -1.7779 0.0000 H 0 0 0
- 1.8114 0.6848 0.0000 H 0 0 0
- 1.1387 3.2197 0.0000 H 0 0 0
- 0.0696 2.4205 0.0000 H 0 0 0
- -0.4806 1.0097 0.0000 H 0 0 0
- 0.2615 -0.2368 0.0000 H 0 0 0
- 1.5080 0.5053 0.0000 H 0 0 0
- -2.7897 2.3848 0.0000 H 0 0 0
- -3.6561 1.4825 0.0000 H 0 0 0
- 0.8879 -2.6601 0.0000 H 0 0 0
- 1.9081 -1.8248 0.0000 H 0 0 0
- 3.3901 2.8244 0.0000 H 0 0 0
- 2.1931 3.3010 0.0000 H 0 0 0
- -5.0669 -0.6718 0.0000 H 0 0 0
- -5.3841 0.9548 0.0000 H 0 0 0
- -5.7380 -0.7863 0.0000 H 0 0 0
- 4.2920 0.8176 0.0000 H 0 0 0
- 4.0322 2.1126 0.0000 H 0 0 0
- 2.8508 -1.6670 0.0000 H 0 0 0
- 4.2949 -1.8057 0.0000 H 0 0 0
- 4.4336 -0.3616 0.0000 H 0 0 0
- 3.3776 -2.9376 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 12 17 1 0
- 14 18 2 0
- 15 19 1 0
- 15 20 1 0
- 15 21 1 0
- 20 22 1 0
- 20 23 2 0
- 8 13 1 0
- 11 12 1 0
- 12 14 1 0
- 16 19 1 0
- 1 24 1 0
- 4 25 1 0
- 4 26 1 0
- 5 27 1 0
- 5 28 1 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 8 33 1 0
- 9 34 1 0
- 9 35 1 0
- 10 36 1 0
- 10 37 1 0
- 10 38 1 0
- 11 39 1 0
- 11 40 1 0
- 13 41 1 0
- 13 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 19 48 1 0
- 19 49 1 0
- 21 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-477-30-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- 0.6886 -0.0179 -0.3473 C 0 0 0
- -0.8036 -0.0423 -0.2943 C 0 0 0
- 1.4178 -1.0875 0.1813 C 0 0 0
- 1.3468 1.0674 -0.9152 C 0 0 0
- -1.4423 1.1018 0.1864 C 0 0 0
- -1.4168 -1.1929 -0.7182 C 0 0 0
- 2.8055 -1.0545 0.1382 C 0 0 0
- 0.7742 -2.1502 0.7319 O 0 0 0
- 2.7255 1.0966 -0.9492 C 0 0 0
- 0.5504 2.2012 -1.5080 C 0 0 0
- -0.5881 2.2345 0.7189 C 0 0 2
- -2.7726 1.2898 0.2252 C 0 0 0
- -2.7099 -1.5490 -0.8363 C 0 0 0
- 3.4562 0.0373 -0.4262 C 0 0 0
- 3.5277 -2.0892 0.6481 O 0 0 0
- 0.7578 -1.9363 2.1448 C 0 0 0
- -0.0086 3.0764 -0.3899 C 0 0 0
- 0.5038 1.6836 1.5326 N 0 0 0
- -3.8334 0.5009 -0.1197 C 0 0 0
- -3.8234 -0.8117 -0.5790 C 0 0 0
- 4.8145 0.0701 -0.4623 O 0 0 0
- 3.7202 -3.0228 -0.4166 C 0 0 0
- 0.8186 2.6910 2.5544 C 0 0 0
- -4.9376 1.0170 -0.0097 O 0 0 0
- -5.0236 -1.4056 -0.7883 O 0 0 0
- 5.1814 1.2991 -1.0924 C 0 0 0
- -5.5322 -1.7728 0.4957 C 0 0 0
- -0.8101 -1.9509 0.0000 H 0 0 0
- 3.1677 1.9609 0.0000 H 0 0 0
- -0.4188 2.1435 0.0000 H 0 0 0
- 0.1285 1.3268 0.0000 H 0 0 0
- -1.3757 2.8022 0.0000 H 0 0 0
- -3.0124 2.2306 0.0000 H 0 0 0
- -2.8627 -2.5078 0.0000 H 0 0 0
- 1.7258 -1.8621 0.0000 H 0 0 0
- 0.6836 -0.9683 0.0000 H 0 0 0
- -0.2102 -2.0105 0.0000 H 0 0 0
- 0.7330 3.7030 0.0000 H 0 0 0
- -0.7282 3.7282 0.0000 H 0 0 0
- 0.8822 0.7895 0.0000 H 0 0 0
- 2.7693 -3.2189 0.0000 H 0 0 0
- 3.9163 -3.9737 0.0000 H 0 0 0
- 4.6711 -2.8267 0.0000 H 0 0 0
- 1.7453 2.4014 0.0000 H 0 0 0
- 1.1082 3.6177 0.0000 H 0 0 0
- -0.1081 2.9806 0.0000 H 0 0 0
- 6.1117 1.0214 0.0000 H 0 0 0
- 5.4591 2.2294 0.0000 H 0 0 0
- 4.2511 1.5768 0.0000 H 0 0 0
- -6.1005 -0.9856 0.0000 H 0 0 0
- -6.3194 -2.3411 0.0000 H 0 0 0
- -4.9639 -2.5600 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 2 0
- 14 21 1 0
- 15 22 1 0
- 18 23 1 0
- 19 24 2 0
- 20 25 1 0
- 21 26 1 0
- 25 27 1 0
- 9 14 2 0
- 11 17 1 0
- 19 20 1 0
- 6 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 12 33 1 0
- 13 34 1 0
- 16 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 22 41 1 0
- 22 42 1 0
- 22 43 1 0
- 23 44 1 0
- 23 45 1 0
- 23 46 1 0
- 26 47 1 0
- 26 48 1 0
- 26 49 1 0
- 27 50 1 0
- 27 51 1 0
- 27 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-481-49-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 83 90 1 V2000
- -2.7814 0.0367 -0.1138 C 0 0 0
- -3.4660 -1.1807 0.0521 C 0 0 0
- -3.4876 1.1698 -0.4796 C 0 0 0
- -1.4568 -0.0006 0.1088 O 0 0 0
- -4.8313 -1.2365 -0.1098 C 0 0 0
- -2.6532 -2.4012 0.3926 C 0 0 2
- -4.8743 1.1066 -0.6211 C 0 0 0
- -3.0941 2.4448 -0.7798 O 0 0 0
- -0.8516 1.1789 0.3208 C 0 0 0
- -5.5409 -0.0919 -0.4326 C 0 0 0
- -5.5745 -2.5412 0.0452 C 0 0 0
- -1.9389 -2.9123 -0.8620 C 0 0 0
- -3.5047 -3.4610 0.9330 N 0 0 0
- -5.3383 2.3482 -0.9563 O 0 0 0
- -4.1925 3.0311 -1.5057 C 0 0 0
- 0.4824 1.3029 -0.0614 C 0 0 0
- -1.4833 2.2522 0.9403 C 0 0 0
- -4.5694 -3.6929 -0.0534 C 0 0 0
- -0.4529 -2.9423 -0.6111 C 0 0 0
- -2.6884 -4.6818 0.9679 C 0 0 0
- 1.1517 2.4987 0.1177 C 0 0 0
- -0.8160 3.4559 1.0875 C 0 0 0
- -2.7557 2.1188 1.4014 O 0 0 0
- 0.4235 -3.0338 -1.6763 C 0 0 0
- 0.0310 -2.8790 0.6822 C 0 0 0
- 2.5964 2.5888 -0.2621 C 0 0 1
- 0.4924 3.5879 0.6551 C 0 0 0
- -2.6660 1.5076 2.6899 C 0 0 0
- 1.7849 -3.0607 -1.4496 C 0 0 0
- 1.3924 -2.9012 0.9149 C 0 0 0
- 2.9575 1.6134 -1.3685 C 0 0 0
- 2.9916 3.9561 -0.5664 N 0 0 0
- 1.1846 4.9215 0.7809 C 0 0 0
- 2.2755 -2.9897 -0.1527 C 0 0 0
- 3.8244 0.5136 -0.8052 C 0 0 0
- 2.6956 4.7504 0.6370 C 0 0 0
- 4.4526 3.9493 -0.7190 C 0 0 0
- 3.6123 -3.0155 0.0710 O 0 0 0
- 3.2988 -0.7473 -0.5937 C 0 0 0
- 5.1462 0.7764 -0.4946 C 0 0 0
- 4.1011 -1.7629 -0.1210 C 0 0 0
- 5.9509 -0.2258 0.0153 C 0 0 0
- 5.4361 -1.4995 0.1851 C 0 0 0
- 6.2303 -2.4880 0.6763 O 0 0 0
- 7.5220 -1.9141 0.8863 C 0 0 0
- -1.9277 -1.6996 0.0000 H 0 0 0
- -6.5499 -0.1158 0.0000 H 0 0 0
- -6.3902 -1.9469 0.0000 H 0 0 0
- -6.2561 -3.2855 0.0000 H 0 0 0
- -2.7565 -3.5040 0.0000 H 0 0 0
- -1.6376 -3.8755 0.0000 H 0 0 0
- -3.5647 3.8213 0.0000 H 0 0 0
- -4.8568 3.7909 0.0000 H 0 0 0
- 1.0326 0.4568 0.0000 H 0 0 0
- -5.4299 -4.2203 0.0000 H 0 0 0
- -4.1930 -4.6293 0.0000 H 0 0 0
- -3.5274 -5.2428 0.0000 H 0 0 0
- -2.1274 -5.5208 0.0000 H 0 0 0
- -1.8494 -4.1208 0.0000 H 0 0 0
- -1.3713 4.2987 0.0000 H 0 0 0
- 0.3611 -4.0411 0.0000 H 0 0 0
- -0.0264 -1.8714 0.0000 H 0 0 0
- 3.6050 2.6257 0.0000 H 0 0 0
- -3.6645 1.3611 0.0000 H 0 0 0
- -2.5195 0.5091 0.0000 H 0 0 0
- -1.6675 1.6541 0.0000 H 0 0 0
- 1.8474 -4.0680 0.0000 H 0 0 0
- 1.4510 -1.8937 0.0000 H 0 0 0
- 1.9504 1.6787 0.0000 H 0 0 0
- 2.4879 0.7201 0.0000 H 0 0 0
- 1.4194 5.9031 0.0000 H 0 0 0
- 0.2389 5.2740 0.0000 H 0 0 0
- 3.6847 4.9511 0.0000 H 0 0 0
- 2.6515 5.7587 0.0000 H 0 0 0
- 4.4479 2.9401 0.0000 H 0 0 0
- 5.4618 3.9446 0.0000 H 0 0 0
- 4.4573 4.9585 0.0000 H 0 0 0
- 2.2990 -0.8850 0.0000 H 0 0 0
- 5.4913 1.7248 0.0000 H 0 0 0
- 6.9494 -0.0788 0.0000 H 0 0 0
- 7.9318 -2.8364 0.0000 H 0 0 0
- 8.4443 -1.5043 0.0000 H 0 0 0
- 7.1122 -0.9918 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 2 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 1 0
- 16 21 1 0
- 17 22 2 0
- 17 23 1 0
- 19 24 1 0
- 19 25 2 0
- 21 26 1 0
- 21 27 2 0
- 23 28 1 0
- 24 29 2 0
- 25 30 1 0
- 26 31 1 0
- 26 32 1 0
- 27 33 1 0
- 29 34 1 0
- 31 35 1 0
- 32 36 1 0
- 32 37 1 0
- 34 38 1 0
- 35 39 1 0
- 35 40 2 0
- 38 41 1 0
- 40 42 1 0
- 41 43 1 0
- 43 44 1 0
- 44 45 1 0
- 7 10 2 0
- 13 18 1 0
- 14 15 1 0
- 22 27 1 0
- 30 34 2 0
- 33 36 1 0
- 39 41 2 0
- 42 43 2 0
- 6 46 1 0
- 10 47 1 0
- 11 48 1 0
- 11 49 1 0
- 12 50 1 0
- 12 51 1 0
- 15 52 1 0
- 15 53 1 0
- 16 54 1 0
- 18 55 1 0
- 18 56 1 0
- 20 57 1 0
- 20 58 1 0
- 20 59 1 0
- 22 60 1 0
- 24 61 1 0
- 25 62 1 0
- 26 63 1 0
- 28 64 1 0
- 28 65 1 0
- 28 66 1 0
- 29 67 1 0
- 30 68 1 0
- 31 69 1 0
- 31 70 1 0
- 33 71 1 0
- 33 72 1 0
- 36 73 1 0
- 36 74 1 0
- 37 75 1 0
- 37 76 1 0
- 37 77 1 0
- 39 78 1 0
- 40 79 1 0
- 42 80 1 0
- 45 81 1 0
- 45 82 1 0
- 45 83 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-488-41-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.5564 -0.5250 -0.0056 C 0 0 1
- -0.5564 0.5250 0.0056 C 0 0 1
- 1.9173 0.1741 0.0019 C 0 0 1
- 0.4405 -1.3542 1.1524 O 0 0 0
- -1.9173 -0.1741 -0.0019 C 0 0 1
- -0.4405 1.3293 1.1811 O 0 0 0
- 3.0301 -0.8758 -0.0093 C 0 0 0
- 2.0332 1.0033 -1.1562 O 0 0 0
- -3.0301 0.8758 0.0093 C 0 0 0
- -2.0332 -0.9784 -1.1773 O 0 0 0
- 4.7788 0.0225 0.0002 Br 0 0 0
- -4.7788 -0.0225 -0.0002 Br 0 0 0
- -0.5262 -0.9052 0.0000 H 0 0 0
- -1.4905 1.1914 0.0000 H 0 0 0
- 2.9999 0.5544 0.0000 H 0 0 0
- 0.2817 -2.4906 0.0000 H 0 0 0
- -0.9832 -0.8405 0.0000 H 0 0 0
- -0.2768 2.4650 0.0000 H 0 0 0
- 2.1534 -1.6160 0.0000 H 0 0 0
- 3.6664 -1.8306 0.0000 H 0 0 0
- 2.1920 2.1397 0.0000 H 0 0 0
- -2.1534 1.6160 0.0000 H 0 0 0
- -3.6664 1.8306 0.0000 H 0 0 0
- -2.1969 -2.1141 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 5 9 1 0
- 5 10 1 0
- 7 11 1 0
- 9 12 1 0
- 1 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-07-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 45 1 V2000
- 0.8873 -1.6157 -0.6928 C 0 0 2
- 0.0288 -1.7207 0.5082 N 0 0 0
- 2.2875 -2.0669 -0.3044 C 0 0 2
- 0.8214 -0.0890 -0.9330 C 0 0 1
- 0.3708 -2.3705 -1.7908 O 0 0 0
- -1.0089 -0.8339 0.3055 C 0 0 0
- 0.6580 -2.6432 1.4479 C 0 0 0
- 2.1345 -2.7855 1.0466 C 0 0 2
- 2.7723 -1.4629 0.9396 N 0 0 0
- -0.6178 0.1829 -0.5114 C 0 0 0
- 1.7771 0.6203 0.0284 C 0 0 0
- 1.3566 -2.3236 -2.8243 C 0 0 0
- -2.4048 -0.8455 0.8298 C 0 0 0
- -1.5042 1.2375 -0.8234 C 0 0 0
- 1.7153 2.0533 -0.1970 O 0 0 0
- -3.2977 0.2054 0.5081 C 0 0 0
- -2.7778 -1.7610 1.5370 O 0 0 0
- -2.8927 1.2266 -0.2859 C 0 0 0
- -1.1333 2.1541 -1.5304 O 0 0 0
- 2.4767 2.8842 0.5396 C 0 0 0
- -4.7042 0.1874 1.0490 C 0 0 0
- -3.7592 2.2484 -0.5920 N 0 0 0
- 2.4192 4.2144 0.3303 N 0 0 0
- 3.2157 2.4348 1.3931 O 0 0 0
- 3.1897 -2.4950 0.0000 H 0 0 0
- 0.5978 0.8842 0.0000 H 0 0 0
- -0.2741 -3.0015 0.0000 H 0 0 0
- 0.7929 -3.6326 0.0000 H 0 0 0
- 2.6243 -3.6557 0.0000 H 0 0 0
- 3.3051 -0.6184 0.0000 H 0 0 0
- 2.2025 -0.2832 0.0000 H 0 0 0
- 2.7467 0.8592 0.0000 H 0 0 0
- 1.4041 -3.3211 0.0000 H 0 0 0
- 2.3541 -2.2761 0.0000 H 0 0 0
- 1.3091 -1.3261 0.0000 H 0 0 0
- -4.7170 1.1859 0.0000 H 0 0 0
- -5.7027 0.1746 0.0000 H 0 0 0
- -4.6914 -0.8111 0.0000 H 0 0 0
- -3.4226 3.1885 0.0000 H 0 0 0
- -4.7417 2.0699 0.0000 H 0 0 0
- 3.2616 4.7506 0.0000 H 0 0 0
- 1.5336 4.6759 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 10 14 1 0
- 11 15 1 0
- 13 16 1 0
- 13 17 2 0
- 14 18 1 0
- 14 19 2 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 2 0
- 6 10 2 0
- 7 8 1 0
- 8 9 1 0
- 16 18 2 0
- 3 25 1 0
- 4 26 1 0
- 7 27 1 0
- 7 28 1 0
- 8 29 1 0
- 9 30 1 0
- 11 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 12 35 1 0
- 21 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 22 40 1 0
- 23 41 1 0
- 23 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-24-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 57 1 V2000
- 0.8009 -1.3432 -0.4306 C 0 0 1
- -0.4940 -1.0740 0.3136 C 0 0 1
- 1.7040 -0.0956 -0.2358 C 0 0 1
- 1.6806 -2.4561 0.1494 C 0 0 0
- -1.1821 0.1151 -0.3757 C 0 0 1
- -1.4011 -2.3039 0.2408 C 0 0 0
- 3.0755 -0.5818 -0.6932 C 0 0 2
- 1.0857 1.0289 -1.0440 C 0 0 0
- 1.7534 0.2864 1.2449 C 0 0 0
- 3.0919 -2.1017 -0.3939 C 0 0 0
- -2.4690 0.4536 0.3825 C 0 0 2
- -0.2793 1.3446 -0.4121 C 0 0 2
- -2.6882 -2.0413 1.0290 C 0 0 0
- 4.1624 0.1152 0.0839 C 0 0 0
- 3.2418 -0.3491 -2.0933 O 0 0 0
- -3.3237 -0.7745 0.4875 C 0 0 0
- -3.1590 1.6159 -0.2456 C 0 0 0
- -2.0776 0.8740 1.8006 C 0 0 0
- -0.0873 1.8340 0.9167 O 0 0 0
- 4.6790 1.4535 -0.3777 C 0 0 0
- 4.6195 -0.3987 1.0765 O 0 0 0
- -4.5971 -0.8032 0.1189 C 0 0 0
- -4.4267 1.6083 -0.6262 C 0 0 0
- 5.6977 1.9052 0.5168 O 0 0 0
- -5.2403 0.3945 -0.4431 C 0 0 0
- -6.4177 0.3823 -0.7501 O 0 0 0
- 0.2681 -2.2056 0.0000 H 0 0 0
- 0.0996 -0.2522 0.0000 H 0 0 0
- 0.8049 -2.9668 0.0000 H 0 0 0
- 2.0632 -3.3949 0.0000 H 0 0 0
- -1.7970 -0.6909 0.0000 H 0 0 0
- -1.7449 -3.2576 0.0000 H 0 0 0
- -0.5070 -2.7817 0.0000 H 0 0 0
- 2.0655 1.2889 0.0000 H 0 0 0
- 1.0694 2.0425 0.0000 H 0 0 0
- 2.7588 0.1564 0.0000 H 0 0 0
- 1.8834 1.2918 0.0000 H 0 0 0
- 0.7480 0.4164 0.0000 H 0 0 0
- 3.2610 -3.1013 0.0000 H 0 0 0
- 4.1016 -2.0114 0.0000 H 0 0 0
- -1.1672 1.8338 0.0000 H 0 0 0
- -3.6722 -2.2851 0.0000 H 0 0 0
- -2.6671 -3.0548 0.0000 H 0 0 0
- 3.8312 0.4757 0.0000 H 0 0 0
- -2.6601 2.4984 0.0000 H 0 0 0
- -1.3356 0.1832 0.0000 H 0 0 0
- -1.3868 1.6160 0.0000 H 0 0 0
- -2.8196 1.5648 0.0000 H 0 0 0
- 0.2829 2.7777 0.0000 H 0 0 0
- 4.5221 2.4550 0.0000 H 0 0 0
- 3.6710 1.5612 0.0000 H 0 0 0
- -5.1076 -1.6790 0.0000 H 0 0 0
- -4.9066 2.5013 0.0000 H 0 0 0
- 6.6244 2.3161 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 11 16 1 0
- 11 17 1 0
- 11 18 1 0
- 12 19 1 0
- 14 20 1 0
- 14 21 2 0
- 16 22 2 0
- 17 23 2 0
- 20 24 1 0
- 22 25 1 0
- 25 26 2 0
- 7 10 1 0
- 8 12 1 0
- 13 16 1 0
- 23 25 1 0
- 1 27 1 0
- 2 28 1 0
- 4 29 1 0
- 4 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 8 34 1 0
- 8 35 1 0
- 9 36 1 0
- 9 37 1 0
- 9 38 1 0
- 10 39 1 0
- 10 40 1 0
- 12 41 1 0
- 13 42 1 0
- 13 43 1 0
- 15 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 22 52 1 0
- 23 53 1 0
- 24 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-27-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 48 1 V2000
- 1.7257 -0.5993 -0.3424 C 0 0 1
- 0.2852 -0.6935 0.1153 C 0 0 1
- 2.2355 0.7980 0.1090 C 0 0 1
- 2.7159 -1.5306 0.3648 C 0 0 0
- -0.5029 0.3607 -0.6729 C 0 0 1
- -0.3214 -2.0622 -0.1934 C 0 0 0
- 3.7470 0.6896 -0.0581 C 0 0 2
- 1.5319 1.8432 -0.7302 C 0 0 0
- 1.8940 1.0197 1.5838 C 0 0 0
- 4.0763 -0.8081 0.1634 C 0 0 2
- -1.9682 0.2486 -0.3682 C 0 0 0
- 0.0266 1.7632 -0.4112 C 0 0 0
- -1.7009 -2.1315 0.4608 C 0 0 0
- 4.3946 1.4733 0.9461 O 0 0 0
- 4.7254 -1.3299 -0.9979 O 0 0 0
- -2.5197 -0.9083 0.1420 C 0 0 0
- -2.7773 1.3496 -0.6153 C 0 0 0
- -3.8844 -0.9637 0.3915 C 0 0 0
- -4.1314 1.2969 -0.3635 C 0 0 0
- -4.6917 0.1322 0.1415 C 0 0 0
- -6.0265 0.0678 0.3889 O 0 0 0
- 1.3795 -1.5636 0.0000 H 0 0 0
- 0.7140 0.2370 0.0000 H 0 0 0
- 1.9368 -2.1959 0.0000 H 0 0 0
- 3.2923 -2.3777 0.0000 H 0 0 0
- 0.5116 0.5042 0.0000 H 0 0 0
- -0.4294 -3.0810 0.0000 H 0 0 0
- 0.6684 -2.3270 0.0000 H 0 0 0
- 4.7429 0.4490 0.0000 H 0 0 0
- 2.4704 2.2541 0.0000 H 0 0 0
- 1.2954 2.8401 0.0000 H 0 0 0
- 2.4519 1.8790 0.0000 H 0 0 0
- 1.0347 1.5776 0.0000 H 0 0 0
- 1.3361 0.1604 0.0000 H 0 0 0
- 4.9470 -0.2682 0.0000 H 0 0 0
- 0.1135 2.7841 0.0000 H 0 0 0
- -0.9726 1.9898 0.0000 H 0 0 0
- -2.6405 -2.5399 0.0000 H 0 0 0
- -1.4672 -3.1291 0.0000 H 0 0 0
- 5.0472 2.2631 0.0000 H 0 0 0
- 5.5239 -1.9718 0.0000 H 0 0 0
- -2.3325 2.2726 0.0000 H 0 0 0
- -4.3279 -1.8873 0.0000 H 0 0 0
- -4.6934 2.1535 0.0000 H 0 0 0
- -7.0499 0.0184 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 11 16 2 0
- 11 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 20 21 1 0
- 7 10 1 0
- 8 12 1 0
- 13 16 1 0
- 19 20 1 0
- 1 22 1 0
- 2 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 17 42 1 0
- 18 43 1 0
- 19 44 1 0
- 21 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 47 1 V2000
- 1.9733 -0.7369 -0.5489 C 0 0 1
- 0.5460 -0.8065 -0.0465 C 0 0 1
- 2.5697 0.5828 0.0153 C 0 0 2
- 2.9378 -1.7796 0.0260 C 0 0 0
- -0.2129 0.3567 -0.6981 C 0 0 1
- -0.1404 -2.1076 -0.4621 C 0 0 0
- 1.8924 1.7384 -0.6911 C 0 0 0
- 4.0668 0.4194 -0.2203 C 0 0 2
- 2.3012 0.6685 1.5192 C 0 0 0
- 4.3258 -1.1070 -0.1576 C 0 0 0
- -1.6706 0.2857 -0.3488 C 0 0 0
- 0.3966 1.6998 -0.3227 C 0 0 0
- -1.4986 -2.1748 0.2355 C 0 0 0
- 4.7878 1.0684 0.8290 O 0 0 0
- -2.2634 -0.8881 0.0684 C 0 0 0
- -2.4299 1.4435 -0.4567 C 0 0 0
- -3.6201 -0.9023 0.3643 C 0 0 0
- -3.7757 1.4313 -0.1587 C 0 0 0
- -4.3778 0.2506 0.2528 C 0 0 0
- -5.7049 0.2265 0.5446 O 0 0 0
- 1.5794 -1.7012 0.0000 H 0 0 0
- 1.1055 -1.6851 0.0000 H 0 0 0
- 2.1073 -2.4084 0.0000 H 0 0 0
- 3.4819 -2.6678 0.0000 H 0 0 0
- 0.8257 0.4358 0.0000 H 0 0 0
- -0.2743 -3.1406 0.0000 H 0 0 0
- 0.8525 -2.4225 0.0000 H 0 0 0
- 2.8665 2.1073 0.0000 H 0 0 0
- 1.6917 2.7605 0.0000 H 0 0 0
- 3.7470 1.4107 0.0000 H 0 0 0
- 2.6179 1.6608 0.0000 H 0 0 0
- 1.3089 0.9852 0.0000 H 0 0 0
- 1.9845 -0.3238 0.0000 H 0 0 0
- 4.6897 -2.0830 0.0000 H 0 0 0
- 5.3318 -0.8367 0.0000 H 0 0 0
- 0.5263 2.7334 0.0000 H 0 0 0
- -0.6058 1.9831 0.0000 H 0 0 0
- -2.4682 -2.5554 0.0000 H 0 0 0
- -1.2797 -3.1932 0.0000 H 0 0 0
- 5.5620 1.7653 0.0000 H 0 0 0
- -1.9391 2.3623 0.0000 H 0 0 0
- -4.1098 -1.8217 0.0000 H 0 0 0
- -4.3238 2.3171 0.0000 H 0 0 0
- -6.7464 0.2076 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 11 15 2 0
- 11 16 1 0
- 15 17 1 0
- 16 18 2 0
- 17 19 2 0
- 19 20 1 0
- 7 12 1 0
- 8 10 1 0
- 13 15 1 0
- 18 19 1 0
- 1 21 1 0
- 2 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 7 29 1 0
- 8 30 1 0
- 9 31 1 0
- 9 32 1 0
- 9 33 1 0
- 10 34 1 0
- 10 35 1 0
- 12 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 16 41 1 0
- 17 42 1 0
- 18 43 1 0
- 20 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-44-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 15 1 V2000
- -0.2505 -0.4154 0.0020 C 0 0 0
- -1.3930 0.4008 0.0012 C 0 0 0
- 1.0069 0.1934 0.0002 C 0 0 0
- -0.7091 -1.7155 -0.0010 N 0 0 0
- -1.2328 1.7285 -0.0001 N 0 0 0
- -2.4596 -0.4209 0.0024 N 0 0 0
- 1.0688 1.5231 -0.0021 N 0 0 0
- 2.4776 -0.7770 0.0005 S 0 0 0
- -2.0602 -1.6622 -0.0034 C 0 0 0
- -0.0292 2.2569 -0.0007 C 0 0 0
- -0.1422 -2.5511 0.0000 H 0 0 0
- 3.3205 -1.3331 0.0000 H 0 0 0
- -2.6709 -2.4664 0.0000 H 0 0 0
- 0.0593 3.2628 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 9 2 0
- 7 10 1 0
- 4 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-50-55-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 84 89 1 V2000
- -1.8473 -1.0555 -0.4086 C 0 0 2
- -3.1436 -0.3034 -0.2432 C 0 0 0
- -1.1966 -0.6006 -1.6439 N 0 0 0
- -2.1153 -2.5584 -0.4924 C 0 0 0
- -3.3768 0.8801 -0.8593 C 0 0 0
- -4.2344 -0.6581 0.5024 N 0 0 0
- 0.1328 -1.2180 -1.6831 C 0 0 0
- -1.0146 0.8507 -1.5461 C 0 0 0
- -0.7716 -3.2906 -0.6180 C 0 0 1
- -4.7050 1.3051 -0.4811 C 0 0 0
- -2.3663 1.5503 -1.7564 C 0 0 0
- -5.2061 0.2950 0.3816 C 0 0 0
- -0.0199 -2.7329 -1.8285 C 0 0 2
- 0.0457 -3.0420 0.6521 C 0 0 1
- -5.4716 2.4297 -0.8044 C 0 0 0
- -6.4822 0.3985 0.9300 C 0 0 0
- 1.3529 -3.3900 -1.9453 C 0 0 0
- 1.4112 -3.7193 0.5273 C 0 0 2
- 0.2361 -1.5596 0.8448 C 0 0 0
- -6.7248 2.5092 -0.2517 C 0 0 0
- -7.2224 1.5240 0.5929 C 0 0 0
- 2.1602 -3.1329 -0.6716 C 0 0 2
- 1.2305 -5.1238 0.3355 O 0 0 0
- -0.6407 -0.8606 1.5827 O 0 0 0
- 1.1780 -1.0001 0.3352 O 0 0 0
- -8.4736 1.6665 1.1051 O 0 0 0
- 2.3278 -1.7027 -0.4852 O 0 0 0
- 1.8795 -5.7768 1.4284 C 0 0 0
- -0.1898 0.2819 2.3570 C 0 0 0
- -8.9905 2.8977 0.5960 C 0 0 0
- 3.3585 -1.2347 0.2458 C 0 0 0
- 3.7274 0.1912 0.1720 C 0 0 0
- 3.9840 -1.9876 0.9657 O 0 0 0
- 3.8540 0.9433 1.3434 C 0 0 0
- 3.9567 0.7917 -1.0689 C 0 0 0
- 4.1997 2.2793 1.2713 C 0 0 0
- 4.3022 2.1284 -1.1351 C 0 0 0
- 4.4220 2.8765 0.0330 C 0 0 0
- 4.3226 3.0117 2.4107 O 0 0 0
- 4.5259 2.7133 -2.3424 O 0 0 0
- 4.7618 4.1904 -0.0350 O 0 0 0
- 4.0361 2.1322 3.4999 C 0 0 0
- 3.3427 3.4428 -2.6735 C 0 0 0
- 6.1885 4.2513 0.0186 C 0 0 0
- -1.0514 -1.5640 0.0000 H 0 0 0
- -3.0219 -2.2938 0.0000 H 0 0 0
- -2.4756 -3.4314 0.0000 H 0 0 0
- -4.4503 -1.5776 0.0000 H 0 0 0
- 1.0561 -1.4166 0.0000 H 0 0 0
- 0.4329 -0.3225 0.0000 H 0 0 0
- -0.0977 0.6240 0.0000 H 0 0 0
- -0.6819 1.7346 0.0000 H 0 0 0
- -0.8676 -4.2302 0.0000 H 0 0 0
- -1.7971 2.3040 0.0000 H 0 0 0
- -3.0134 2.2382 0.0000 H 0 0 0
- -0.8412 -2.2665 0.0000 H 0 0 0
- -0.0322 -3.9832 0.0000 H 0 0 0
- -5.0040 3.2503 0.0000 H 0 0 0
- -6.9637 -0.4140 0.0000 H 0 0 0
- 0.7312 -4.1010 0.0000 H 0 0 0
- 1.8708 -4.1798 0.0000 H 0 0 0
- 2.2321 -4.1863 0.0000 H 0 0 0
- -7.1940 3.3289 0.0000 H 0 0 0
- 2.9837 -3.5953 0.0000 H 0 0 0
- 1.2096 -6.4426 0.0000 H 0 0 0
- 2.5453 -6.4467 0.0000 H 0 0 0
- 2.5494 -5.1110 0.0000 H 0 0 0
- 0.6887 -0.0648 0.0000 H 0 0 0
- 0.1569 1.1604 0.0000 H 0 0 0
- -1.0683 0.6286 0.0000 H 0 0 0
- -8.1197 3.2633 0.0000 H 0 0 0
- -9.3561 3.7685 0.0000 H 0 0 0
- -9.8613 2.5321 0.0000 H 0 0 0
- 2.9303 1.1402 0.0000 H 0 0 0
- 4.8565 0.5046 0.0000 H 0 0 0
- 3.1381 2.4247 0.0000 H 0 0 0
- 3.7436 1.2342 0.0000 H 0 0 0
- 4.9341 1.8397 0.0000 H 0 0 0
- 3.8384 4.2467 0.0000 H 0 0 0
- 2.5388 3.9385 0.0000 H 0 0 0
- 2.8470 2.6389 0.0000 H 0 0 0
- 6.2288 3.3077 0.0000 H 0 0 0
- 7.1321 4.2916 0.0000 H 0 0 0
- 6.1482 5.1949 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 7 13 1 0
- 9 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 14 19 1 0
- 15 20 2 0
- 16 21 2 0
- 17 22 1 0
- 18 23 1 0
- 19 24 1 0
- 19 25 2 0
- 21 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 1 0
- 26 30 1 0
- 27 31 1 0
- 31 32 1 0
- 31 33 2 0
- 32 34 1 0
- 32 35 2 0
- 34 36 2 0
- 35 37 1 0
- 36 38 1 0
- 36 39 1 0
- 37 40 1 0
- 38 41 1 0
- 39 42 1 0
- 40 43 1 0
- 41 44 1 0
- 8 11 1 0
- 9 13 1 0
- 10 12 2 0
- 18 22 1 0
- 20 21 1 0
- 37 38 2 0
- 1 45 1 0
- 4 46 1 0
- 4 47 1 0
- 6 48 1 0
- 7 49 1 0
- 7 50 1 0
- 8 51 1 0
- 8 52 1 0
- 9 53 1 0
- 11 54 1 0
- 11 55 1 0
- 13 56 1 0
- 14 57 1 0
- 15 58 1 0
- 16 59 1 0
- 17 60 1 0
- 17 61 1 0
- 18 62 1 0
- 20 63 1 0
- 22 64 1 0
- 28 65 1 0
- 28 66 1 0
- 28 67 1 0
- 29 68 1 0
- 29 69 1 0
- 29 70 1 0
- 30 71 1 0
- 30 72 1 0
- 30 73 1 0
- 34 74 1 0
- 35 75 1 0
- 42 76 1 0
- 42 77 1 0
- 42 78 1 0
- 43 79 1 0
- 43 80 1 0
- 43 81 1 0
- 44 82 1 0
- 44 83 1 0
- 44 84 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-76-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-176182 1 V2000
- -1.9184 -1.2313 2.5175 C 0 0 0
- -1.9670 -1.8046 3.8714 C 0 0 0
- -0.7679 -0.8219 2.0207 N 0 0 0
- -3.1591 -1.1173 1.7377 C 0 0 0
- -0.8258 -1.9021 4.5847 O 0 0 0
- -3.1641 -2.2328 4.3961 C 0 0 0
- 0.3555 -0.9253 2.7420 C 0 0 0
- -4.3475 -1.5553 2.3019 C 0 0 0
- -3.1403 -0.5478 0.3818 C 0 0 0
- 0.3342 -1.4718 4.0408 C 0 0 0
- -4.3482 -2.1322 3.6573 C 0 0 0
- -3.2010 -2.8183 5.7842 C 0 0 0
- 1.5876 -0.4809 2.1957 C 0 0 0
- -5.5234 -1.4599 1.5928 N 0 0 0
- -1.9647 -0.2768 -0.2191 N 0 0 0
- -4.1858 -0.3213 -0.1973 O 0 0 0
- 1.5182 -1.5677 4.7682 C 0 0 0
- -5.3977 -2.5201 4.1461 O 0 0 0
- 2.7482 -0.5901 2.9475 C 0 0 0
- 1.6336 0.0941 0.8367 C 0 0 0
- -1.9352 0.1044 -1.6450 C 0 0 2
- 2.7076 -1.1324 4.2246 C 0 0 0
- 1.4986 -2.1503 6.1579 C 0 0 0
- 2.7990 0.5513 0.3376 N 0 0 0
- 0.6202 0.1552 0.1679 O 0 0 0
- -2.9219 1.2461 -1.8176 C 0 0 0
- -2.4913 -1.1119 -2.4346 C 0 0 2
- 2.8594 1.0645 -1.0480 C 0 0 2
- -2.6742 2.4132 -1.1959 N 0 0 0
- -3.9022 1.0951 -2.5026 O 0 0 0
- -3.7200 -1.5386 -1.7609 O 0 0 0
- -1.4590 -2.2479 -2.2615 C 0 0 0
- 3.8947 0.2319 -1.7802 C 0 0 0
- 3.4107 2.5126 -0.9557 C 0 0 2
- -3.7159 3.4927 -1.2755 C 0 0 1
- -4.5585 -2.3703 -2.4001 C 0 0 0
- 3.7619 -1.1065 -1.8042 N 0 0 0
- 4.8198 0.7785 -2.3354 O 0 0 0
- 4.5841 2.4701 -0.0837 O 0 0 0
- 2.3285 3.3391 -0.2288 C 0 0 0
- -4.8194 2.9704 -0.3496 C 0 0 0
- -3.0646 4.6645 -0.4695 C 0 0 0
- -5.8219 -2.8599 -1.6723 C 0 0 1
- -4.3423 -2.7525 -3.5183 O 0 0 0
- 4.8619 -1.9219 -2.4210 C 0 0 1
- 5.4610 3.4825 -0.0842 C 0 0 0
- -5.9945 3.6019 -0.2467 N 0 0 0
- -4.5984 1.9712 0.2970 O 0 0 0
- -1.5436 4.6066 -0.6247 C 0 0 0
- -3.5814 6.0012 -1.0055 C 0 0 0
- -6.7763 -1.7134 -1.7876 N 0 0 0
- -6.4129 -3.9195 -2.6587 C 0 0 0
- 5.9453 -1.9063 -1.3346 C 0 0 0
- 4.2829 -3.3740 -2.3608 C 0 0 0
- 6.6841 3.3961 0.8268 C 0 0 1
- 5.2990 4.4553 -0.7708 O 0 0 0
- -7.1529 3.0268 0.5329 C 0 0 1
- -6.3918 4.9003 -0.7983 C 0 0 0
- -7.5915 -1.4459 -0.7523 C 0 0 0
- -6.8176 -0.9303 -3.0181 C 0 0 0
- -5.5332 -5.1713 -2.6495 C 0 0 0
- -7.8311 -4.2896 -2.2198 C 0 0 0
- 7.1358 -2.4855 -1.5317 N 0 0 0
- 5.6898 -1.3576 -0.2854 O 0 0 0
- 2.7549 -3.3165 -2.4155 C 0 0 0
- 4.8057 -4.1812 -3.5507 C 0 0 0
- 7.7062 2.6331 0.0772 N 0 0 0
- 6.2399 2.5036 2.0124 C 0 0 0
- -8.3131 4.1033 0.2640 C 0 0 0
- -7.5949 1.9127 -0.4838 C 0 0 0
- -7.8987 4.6724 -1.1234 C 0 0 0
- -8.5624 -0.2987 -0.8138 C 0 0 0
- -7.5438 -2.1497 0.2446 O 0 0 0
- 8.2578 -2.3727 -0.5203 C 0 0 1
- 7.5886 -3.3114 -2.6522 C 0 0 0
- 8.8163 2.1765 0.6823 C 0 0 0
- 7.5079 2.3968 -1.3557 C 0 0 0
- 4.9666 3.0795 2.6353 C 0 0 0
- 5.9646 1.0855 1.5081 C 0 0 0
- -8.1176 0.7933 0.0518 N 0 0 0
- -7.4542 2.0470 -1.6787 O 0 0 0
- 9.4403 -3.1889 -1.2335 C 0 0 0
- 8.7220 -0.9068 -0.8397 C 0 0 0
- 9.1070 -2.9711 -2.7368 C 0 0 0
- 9.6946 1.1719 -0.0211 C 0 0 0
- 9.1422 2.5873 1.7774 O 0 0 0
- -8.2346 0.6706 1.5073 C 0 0 0
- 9.1815 -0.1834 0.2011 N 0 0 0
- 8.6503 -0.4427 -1.9500 O 0 0 0
- 9.1711 -0.7526 1.5521 C 0 0 0
- -4.1018 -2.7615 0.0000 H 0 0 0
- -3.2578 -3.7191 0.0000 H 0 0 0
- -2.3002 -2.8751 0.0000 H 0 0 0
- -5.9100 -0.6443 0.0000 H 0 0 0
- -6.0364 -2.2025 0.0000 H 0 0 0
- -1.2807 -0.8656 0.0000 H 0 0 0
- 3.4378 -0.0079 0.0000 H 0 0 0
- -1.0778 0.3864 0.0000 H 0 0 0
- 3.4275 -1.6767 0.0000 H 0 0 0
- 0.5966 -2.1200 0.0000 H 0 0 0
- 1.4683 -3.0523 0.0000 H 0 0 0
- 2.4006 -2.1806 0.0000 H 0 0 0
- 3.5136 0.0000 0.0000 H 0 0 0
- -3.0986 -0.4443 0.0000 H 0 0 0
- 1.9828 1.2794 0.0000 H 0 0 0
- -1.8066 2.6619 0.0000 H 0 0 0
- -2.1269 -2.8549 0.0000 H 0 0 0
- -0.8520 -2.9158 0.0000 H 0 0 0
- -0.7911 -1.6409 0.0000 H 0 0 0
- 3.7153 3.3622 0.0000 H 0 0 0
- -4.3329 4.1514 0.0000 H 0 0 0
- 2.9367 -1.4720 0.0000 H 0 0 0
- 2.8763 4.0564 0.0000 H 0 0 0
- 1.6112 3.8869 0.0000 H 0 0 0
- 1.7807 2.6218 0.0000 H 0 0 0
- -3.9650 4.7269 0.0000 H 0 0 0
- -5.2296 -3.5409 0.0000 H 0 0 0
- 5.1387 -1.0629 0.0000 H 0 0 0
- -1.5779 3.7047 0.0000 H 0 0 0
- -0.6417 4.5723 0.0000 H 0 0 0
- -1.5093 5.5085 0.0000 H 0 0 0
- -2.7396 6.3267 0.0000 H 0 0 0
- -3.9069 6.8430 0.0000 H 0 0 0
- -4.4232 5.6757 0.0000 H 0 0 0
- -6.9653 -3.2058 0.0000 H 0 0 0
- 5.1811 -3.2860 0.0000 H 0 0 0
- 6.9986 4.2421 0.0000 H 0 0 0
- -6.4887 2.4157 0.0000 H 0 0 0
- -5.5169 5.1218 0.0000 H 0 0 0
- -6.5703 5.7850 0.0000 H 0 0 0
- -5.9163 -0.8828 0.0000 H 0 0 0
- -6.8651 -0.0290 0.0000 H 0 0 0
- -7.7189 -0.9778 0.0000 H 0 0 0
- -6.2716 -5.6902 0.0000 H 0 0 0
- -5.0143 -5.9097 0.0000 H 0 0 0
- -4.7948 -4.6524 0.0000 H 0 0 0
- -8.0590 -3.4163 0.0000 H 0 0 0
- -8.7044 -4.5175 0.0000 H 0 0 0
- -7.6032 -5.1629 0.0000 H 0 0 0
- 2.7888 -2.4146 0.0000 H 0 0 0
- 1.8530 -3.2826 0.0000 H 0 0 0
- 2.7210 -4.2184 0.0000 H 0 0 0
- 4.0482 -4.6718 0.0000 H 0 0 0
- 5.2963 -4.9387 0.0000 H 0 0 0
- 5.5632 -3.6906 0.0000 H 0 0 0
- 7.0947 2.2139 0.0000 H 0 0 0
- -9.0211 4.6630 0.0000 H 0 0 0
- -8.9003 3.4179 0.0000 H 0 0 0
- -7.7999 5.5695 0.0000 H 0 0 0
- -8.7403 4.9984 0.0000 H 0 0 0
- -9.3331 0.1710 0.0000 H 0 0 0
- -9.1493 -0.9844 0.0000 H 0 0 0
- 8.0328 -3.2467 0.0000 H 0 0 0
- 6.7601 -3.6694 0.0000 H 0 0 0
- 7.8675 -4.1698 0.0000 H 0 0 0
- 6.8165 2.9770 0.0000 H 0 0 0
- 6.9277 1.7054 0.0000 H 0 0 0
- 8.1993 1.8166 0.0000 H 0 0 0
- 5.3385 3.9018 0.0000 H 0 0 0
- 4.1443 3.4514 0.0000 H 0 0 0
- 4.5947 2.2572 0.0000 H 0 0 0
- 5.0786 1.2575 0.0000 H 0 0 0
- 5.7926 0.1995 0.0000 H 0 0 0
- 6.8506 0.9135 0.0000 H 0 0 0
- 9.3829 -4.0896 0.0000 H 0 0 0
- 10.2524 -2.7951 0.0000 H 0 0 0
- 9.7766 -2.3660 0.0000 H 0 0 0
- 8.6921 -2.1696 0.0000 H 0 0 0
- 10.4754 0.7192 0.0000 H 0 0 0
- 10.2683 1.8686 0.0000 H 0 0 0
- -8.8878 1.2934 0.0000 H 0 0 0
- -8.8574 0.0174 0.0000 H 0 0 0
- -7.5814 0.0478 0.0000 H 0 0 0
- 8.2687 -0.7361 0.0000 H 0 0 0
- 9.1546 -1.6550 0.0000 H 0 0 0
- 10.0735 -0.7691 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 9 16 2 0
- 10 17 1 0
- 11 18 2 0
- 13 19 2 0
- 13 20 1 0
- 21 15 1 0
- 17 22 2 0
- 17 23 1 0
- 20 24 1 0
- 20 25 2 0
- 21 26 1 0
- 21 27 1 0
- 28 24 1 0
- 26 29 1 0
- 26 30 2 0
- 27 31 1 0
- 27 32 1 0
- 28 33 1 0
- 28 34 1 0
- 35 29 1 0
- 31 36 1 0
- 33 37 1 0
- 33 38 2 0
- 34 39 1 0
- 34 40 1 0
- 35 41 1 0
- 35 42 1 0
- 36 43 1 0
- 36 44 2 0
- 45 37 1 0
- 39 46 1 0
- 41 47 1 0
- 41 48 2 0
- 42 49 1 0
- 42 50 1 0
- 43 51 1 0
- 43 52 1 0
- 45 53 1 0
- 45 54 1 0
- 46 55 1 0
- 46 56 2 0
- 47 57 1 0
- 47 58 1 0
- 51 59 1 0
- 51 60 1 0
- 52 61 1 0
- 52 62 1 0
- 53 63 1 0
- 53 64 2 0
- 54 65 1 0
- 54 66 1 0
- 55 67 1 0
- 55 68 1 0
- 57 69 1 0
- 57 70 1 0
- 58 71 1 0
- 59 72 1 0
- 59 73 2 0
- 63 74 1 0
- 63 75 1 0
- 67 76 1 0
- 67 77 1 0
- 68 78 1 0
- 68 79 1 0
- 70 80 1 0
- 70 81 2 0
- 74 82 1 0
- 74 83 1 0
- 75 84 1 0
- 76 85 1 0
- 76 86 2 0
- 80 87 1 0
- 83 88 1 0
- 83 89 2 0
- 88 90 1 0
- 7 10 2 0
- 8 11 1 0
- 19 22 1 0
- 69 71 1 0
- 72 80 1 0
- 82 84 1 0
- 85 88 1 0
- 12 91 1 0
- 12 92 1 0
- 12 93 1 0
- 14 94 1 0
- 14 95 1 0
- 15 96 1 0
- 19 97 1 0
- 21 98 1 0
- 22 99 1 0
- 23100 1 0
- 23101 1 0
- 23102 1 0
- 24103 1 0
- 27104 1 0
- 28105 1 0
- 29106 1 0
- 32107 1 0
- 32108 1 0
- 32109 1 0
- 34110 1 0
- 35111 1 0
- 37112 1 0
- 40113 1 0
- 40114 1 0
- 40115 1 0
- 42116 1 0
- 43117 1 0
- 45118 1 0
- 49119 1 0
- 49120 1 0
- 49121 1 0
- 50122 1 0
- 50123 1 0
- 50124 1 0
- 52125 1 0
- 54126 1 0
- 55127 1 0
- 57128 1 0
- 58129 1 0
- 58130 1 0
- 60131 1 0
- 60132 1 0
- 60133 1 0
- 61134 1 0
- 61135 1 0
- 61136 1 0
- 62137 1 0
- 62138 1 0
- 62139 1 0
- 65140 1 0
- 65141 1 0
- 65142 1 0
- 66143 1 0
- 66144 1 0
- 66145 1 0
- 68146 1 0
- 69147 1 0
- 69148 1 0
- 71149 1 0
- 71150 1 0
- 72151 1 0
- 72152 1 0
- 74153 1 0
- 75154 1 0
- 75155 1 0
- 77156 1 0
- 77157 1 0
- 77158 1 0
- 78159 1 0
- 78160 1 0
- 78161 1 0
- 79162 1 0
- 79163 1 0
- 79164 1 0
- 82165 1 0
- 82166 1 0
- 84167 1 0
- 84168 1 0
- 85169 1 0
- 85170 1 0
- 87171 1 0
- 87172 1 0
- 87173 1 0
- 90174 1 0
- 90175 1 0
- 90176 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-89-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 0.7278 -0.6460 0.4759 C 0 0 2
- -0.6841 -0.3198 0.2610 N 0 0 0
- 1.4960 0.5739 0.5628 O 0 0 0
- 1.2831 -1.3743 -0.7682 C 0 0 0
- -1.6223 -1.2664 0.4452 C 0 0 0
- -1.0368 0.9463 -0.1197 C 0 0 0
- 2.8513 0.1941 0.2391 C 0 0 1
- 2.7122 -0.8089 -0.9275 C 0 0 1
- -2.9266 -0.9940 0.2549 N 0 0 0
- -1.2871 -2.3837 0.7881 O 0 0 0
- -2.3382 1.2469 -0.3177 C 0 0 0
- 3.6262 1.4248 -0.2360 C 0 0 0
- 3.6626 -1.8636 -0.7648 O 0 0 0
- -3.3147 0.2399 -0.1258 C 0 0 0
- -2.7458 2.6357 -0.7374 C 0 0 0
- 3.6775 2.3907 0.8158 O 0 0 0
- -4.4946 0.4872 -0.2982 O 0 0 0
- 0.1851 -1.4867 0.0000 H 0 0 0
- 0.4352 -1.9057 0.0000 H 0 0 0
- 1.7348 -2.2672 0.0000 H 0 0 0
- -0.3452 1.6695 0.0000 H 0 0 0
- 3.7913 -0.1489 0.0000 H 0 0 0
- 3.6688 -0.5153 0.0000 H 0 0 0
- -3.5984 -1.7357 0.0000 H 0 0 0
- 4.2357 0.6312 0.0000 H 0 0 0
- 4.5819 1.7214 0.0000 H 0 0 0
- 4.3325 -2.6070 0.0000 H 0 0 0
- -1.7856 2.9175 0.0000 H 0 0 0
- -3.0276 3.5959 0.0000 H 0 0 0
- -3.7060 2.3539 0.0000 H 0 0 0
- 3.7306 3.3900 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 7 8 1 0
- 11 14 1 0
- 1 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-21-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 12 12 1 V2000
- -0.5926 0.8264 0.0017 C 0 0 0
- -1.0817 -0.5040 0.0003 C 0 0 0
- 0.7383 1.0422 0.0016 N 0 0 0
- -1.3675 1.7659 -0.0022 O 0 0 0
- -0.2005 -1.5275 -0.0010 C 0 0 0
- -2.4110 -0.7449 0.0007 F 0 0 0
- 1.5946 0.0038 0.0003 C 0 0 0
- 1.1448 -1.2642 -0.0010 N 0 0 0
- 2.7921 0.2148 -0.0001 O 0 0 0
- 1.0947 1.9885 0.0000 H 0 0 0
- -0.5314 -2.4830 0.0000 H 0 0 0
- 1.8052 -2.0300 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 2 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 8 12 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51-98-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 56 1 V2000
- -1.2645 -0.1198 -0.2286 C 0 0 2
- -2.7386 0.1440 0.0645 C 0 0 2
- -0.5703 1.1864 0.2383 C 0 0 2
- -0.8972 -0.2980 -1.6911 C 0 0 0
- -0.7679 -1.3050 0.6017 C 0 0 0
- -2.7493 1.1133 1.2727 C 0 0 0
- -3.4128 -1.0953 0.4079 O 0 0 0
- -3.3855 0.7722 -1.0990 C 0 0 0
- 0.9220 0.9073 0.3171 C 0 0 1
- -1.2637 1.4462 1.5802 C 0 0 0
- 0.6151 -0.5526 -1.7408 C 0 0 0
- -4.7453 -1.1121 0.5691 C 0 0 0
- -3.9014 1.2732 -2.0269 C 0 0 0
- 1.4181 0.5727 -1.0901 C 0 0 2
- 1.6194 2.1337 0.8956 C 0 0 0
- -5.4304 -2.3654 1.0497 C 0 0 0
- -5.3954 -0.1224 0.3288 O 0 0 0
- 2.8862 0.1300 -1.0366 C 0 0 0
- 3.0664 2.2479 0.4340 C 0 0 0
- 3.5826 0.8775 0.0700 C 0 0 0
- 2.9554 -1.3740 -0.7652 C 0 0 0
- 4.6168 0.3498 0.7162 C 0 0 0
- 4.4262 -1.7972 -0.6864 C 0 0 0
- 5.1112 -0.9851 0.3843 C 0 0 0
- 6.0722 -1.4393 0.9693 O 0 0 0
- -0.2892 2.1954 0.0000 H 0 0 0
- -1.7047 -0.9651 0.0000 H 0 0 0
- -0.6261 -1.3098 0.0000 H 0 0 0
- -1.7340 -1.7098 0.0000 H 0 0 0
- -0.3631 -2.2711 0.0000 H 0 0 0
- 0.1982 -0.9002 0.0000 H 0 0 0
- -2.9065 2.1489 0.0000 H 0 0 0
- -3.7933 1.0287 0.0000 H 0 0 0
- 0.5246 -0.0619 0.0000 H 0 0 0
- -0.5977 2.2546 0.0000 H 0 0 0
- -1.8121 2.3386 0.0000 H 0 0 0
- 0.2878 -1.5476 0.0000 H 0 0 0
- 1.5496 -1.0259 0.0000 H 0 0 0
- -4.6528 2.0029 0.0000 H 0 0 0
- 1.8672 1.5190 0.0000 H 0 0 0
- 1.7446 3.1737 0.0000 H 0 0 0
- 0.6246 2.4617 0.0000 H 0 0 0
- -6.3495 -1.8630 0.0000 H 0 0 0
- -5.9328 -3.2845 0.0000 H 0 0 0
- -4.5113 -2.8678 0.0000 H 0 0 0
- 3.8694 -0.2312 0.0000 H 0 0 0
- 4.0769 2.5237 0.0000 H 0 0 0
- 2.8865 3.2798 0.0000 H 0 0 0
- 1.9100 -1.3083 0.0000 H 0 0 0
- 2.7767 -2.4061 0.0000 H 0 0 0
- 5.3995 1.0459 0.0000 H 0 0 0
- 3.9988 -2.7535 0.0000 H 0 0 0
- 5.3134 -2.3541 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 7 12 1 0
- 8 13 3 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 12 17 2 0
- 14 18 1 0
- 15 19 1 0
- 18 20 1 0
- 18 21 1 0
- 20 22 2 0
- 21 23 1 0
- 22 24 1 0
- 24 25 2 0
- 6 10 1 0
- 11 14 1 0
- 19 20 1 0
- 23 24 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 5 31 1 0
- 6 32 1 0
- 6 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 11 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 16 44 1 0
- 16 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 21 49 1 0
- 21 50 1 0
- 22 51 1 0
- 23 52 1 0
- 23 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-512-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 77 1 V2000
- -3.8282 -0.3112 0.2837 C 0 0 2
- -2.9295 -1.5611 0.2227 C 0 0 2
- -3.0123 0.7642 -0.2138 O 0 0 0
- -4.2400 -0.0347 1.7261 C 0 0 0
- -4.9671 -0.4904 -0.5476 O 0 0 0
- -1.8989 -1.2316 -0.8776 C 0 0 1
- -3.7646 -2.7693 -0.2060 C 0 0 0
- -2.2832 0.2139 -1.3301 C 0 0 2
- -5.0919 1.2400 1.7696 C 0 0 0
- -5.6606 0.7549 -0.6110 C 0 0 0
- -0.5236 -1.0365 -0.2325 C 0 0 2
- -0.9529 0.9940 -1.4629 C 0 0 0
- -6.2400 1.0948 0.7641 C 0 0 2
- 0.1443 -0.0332 -1.2092 C 0 0 1
- 0.3619 -2.2704 -0.2020 C 0 0 0
- -0.6655 -0.4211 1.1611 C 0 0 0
- -7.0139 2.4120 0.6800 C 0 0 0
- 1.4100 0.4772 -0.5486 C 0 0 1
- 1.7070 -1.8490 0.4091 C 0 0 0
- 2.3580 -0.7190 -0.3833 C 0 0 2
- 2.0893 1.5029 -1.4630 C 0 0 0
- 3.6484 -0.2902 0.2938 C 0 0 2
- 3.4253 1.8713 -0.8872 C 0 0 0
- 4.1094 1.0764 -0.1178 C 0 0 0
- 4.7551 -1.3084 0.0025 C 0 0 0
- 3.4149 -0.2808 1.8058 C 0 0 0
- 5.4575 1.5552 0.3941 C 0 0 0
- 6.0524 -0.8556 0.6751 C 0 0 0
- 6.5027 0.4802 0.0809 C 0 0 2
- 7.7580 0.8561 0.6509 O 0 0 0
- -2.3107 -2.3962 0.0000 H 0 0 0
- -5.2596 -0.2368 0.0000 H 0 0 0
- -4.4443 -1.0538 0.0000 H 0 0 0
- -1.6668 -2.2448 0.0000 H 0 0 0
- -4.6196 -2.1783 0.0000 H 0 0 0
- -4.3556 -3.6243 0.0000 H 0 0 0
- -2.9096 -3.3603 0.0000 H 0 0 0
- -3.1457 -0.3661 0.0000 H 0 0 0
- -4.1492 1.6777 0.0000 H 0 0 0
- -5.3794 2.2388 0.0000 H 0 0 0
- -4.6348 0.9224 0.0000 H 0 0 0
- -5.4701 1.7767 0.0000 H 0 0 0
- -0.1731 1.6812 0.0000 H 0 0 0
- -1.5622 1.8361 0.0000 H 0 0 0
- -6.9747 0.3596 0.0000 H 0 0 0
- 0.8006 -0.8392 0.0000 H 0 0 0
- -0.5421 -2.7834 0.0000 H 0 0 0
- 0.7761 -3.2237 0.0000 H 0 0 0
- 0.3473 -0.1876 0.0000 H 0 0 0
- -0.8990 0.5917 0.0000 H 0 0 0
- -1.6783 -0.6546 0.0000 H 0 0 0
- -6.1177 2.9385 0.0000 H 0 0 0
- -7.5404 3.3082 0.0000 H 0 0 0
- -7.9101 1.8855 0.0000 H 0 0 0
- 0.7527 1.2824 0.0000 H 0 0 0
- 1.7363 -2.8880 0.0000 H 0 0 0
- 2.7148 -2.1034 0.0000 H 0 0 0
- 3.0152 -1.5243 0.0000 H 0 0 0
- 2.1055 2.5422 0.0000 H 0 0 0
- 1.0964 1.8103 0.0000 H 0 0 0
- 3.7280 2.8656 0.0000 H 0 0 0
- 3.9361 -1.9484 0.0000 H 0 0 0
- 5.2530 -2.2208 0.0000 H 0 0 0
- 3.4567 0.7578 0.0000 H 0 0 0
- 2.3763 -0.2390 0.0000 H 0 0 0
- 3.3731 -1.3194 0.0000 H 0 0 0
- 6.2986 2.1659 0.0000 H 0 0 0
- 4.9733 2.4749 0.0000 H 0 0 0
- 6.1722 -1.8881 0.0000 H 0 0 0
- 7.0861 -0.9644 0.0000 H 0 0 0
- 7.2250 -0.2672 0.0000 H 0 0 0
- 8.7537 1.1543 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 18 20 1 0
- 18 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 22 25 1 0
- 22 26 1 0
- 24 27 1 0
- 25 28 1 0
- 27 29 1 0
- 29 30 1 0
- 6 8 1 0
- 10 13 1 0
- 12 14 1 0
- 19 20 1 0
- 23 24 2 0
- 28 29 1 0
- 2 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 7 35 1 0
- 7 36 1 0
- 7 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 12 43 1 0
- 12 44 1 0
- 13 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 17 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 23 61 1 0
- 25 62 1 0
- 25 63 1 0
- 26 64 1 0
- 26 65 1 0
- 26 66 1 0
- 27 67 1 0
- 27 68 1 0
- 28 69 1 0
- 28 70 1 0
- 29 71 1 0
- 30 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-51481-10-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 44 1 V2000
- 2.0279 -0.6121 -0.7306 C 0 0 0
- 1.2131 -0.9400 0.5410 C 0 0 2
- 2.2608 0.9014 -0.6077 C 0 0 1
- 3.0664 -1.5613 -1.2921 C 0 0 0
- 1.8312 -1.2749 -1.9593 O 0 0 0
- -0.1413 -0.2229 0.3089 C 0 0 1
- 1.9383 -0.1042 1.6306 C 0 0 0
- 1.0914 -2.4336 0.8494 C 0 0 0
- 1.0105 1.5666 -0.8563 O 0 0 0
- 2.5821 1.0879 0.8967 C 0 0 2
- 0.0093 0.5648 -0.9981 C 0 0 0
- -1.2423 -1.2728 0.1244 C 0 0 2
- -0.4624 0.7166 1.4730 C 0 0 0
- 1.9966 2.3058 1.3614 O 0 0 0
- -1.3007 1.1504 -1.4223 C 0 0 0
- -2.5298 -0.5226 -0.1550 C 0 0 0
- -1.3842 -2.0307 1.3275 O 0 0 0
- -1.7900 1.2236 1.3236 O 0 0 0
- -2.4695 0.6459 -1.0389 C 0 0 0
- -3.5795 -0.8789 0.3381 O 0 0 0
- -3.7483 1.2831 -1.5183 C 0 0 0
- 3.0991 0.3294 0.0000 H 0 0 0
- 3.1928 -2.5682 0.0000 H 0 0 0
- 3.9677 -1.0949 0.0000 H 0 0 0
- 2.3388 -1.0366 0.0000 H 0 0 0
- 2.9521 -0.1496 0.0000 H 0 0 0
- 0.0799 -2.3512 0.0000 H 0 0 0
- 1.0090 -3.4451 0.0000 H 0 0 0
- 2.1029 -2.5160 0.0000 H 0 0 0
- 3.5966 1.0640 0.0000 H 0 0 0
- 0.9061 0.0899 0.0000 H 0 0 0
- -0.3503 -1.7568 0.0000 H 0 0 0
- 0.5475 0.8158 0.0000 H 0 0 0
- -0.3274 1.7224 0.0000 H 0 0 0
- 1.5569 3.2204 0.0000 H 0 0 0
- -1.2942 2.1652 0.0000 H 0 0 0
- -1.5710 -3.0282 0.0000 H 0 0 0
- -2.7380 1.5856 0.0000 H 0 0 0
- -3.2957 2.1914 0.0000 H 0 0 0
- -4.6566 1.7357 0.0000 H 0 0 0
- -4.2009 0.3748 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 16 20 2 0
- 19 21 1 0
- 4 5 1 0
- 7 10 1 0
- 9 11 1 0
- 16 19 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 7 25 1 0
- 7 26 1 0
- 8 27 1 0
- 8 28 1 0
- 8 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 15 36 1 0
- 17 37 1 0
- 18 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-517-28-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -0.0905 -0.7767 1.1186 C 0 0 2
- -1.3469 -0.1709 0.5571 C 0 0 0
- 1.0970 0.0506 0.7083 C 0 0 0
- -0.0155 -2.1881 0.5091 C 0 0 1
- -1.7706 -0.9025 -0.5493 C 0 0 0
- -2.0476 0.9400 1.0012 C 0 0 0
- 2.0235 -0.3942 -0.2152 C 0 0 0
- 1.2535 1.3031 1.2877 C 0 0 0
- -0.8255 -2.0438 -0.7995 C 0 0 0
- 1.4332 -2.5242 0.1685 C 0 0 0
- -0.5979 -3.1620 1.3777 O 0 0 0
- -2.9121 -0.5511 -1.2537 C 0 0 0
- -3.1936 1.2929 0.2951 C 0 0 0
- 1.9128 -1.6089 -0.8122 O 0 0 0
- 3.1086 0.4121 -0.5557 C 0 0 0
- 2.3247 2.1046 0.9522 C 0 0 0
- -3.6161 0.5634 -0.8082 C 0 0 0
- -3.9147 2.3747 0.6939 O 0 0 0
- 3.2594 1.6620 0.0280 C 0 0 0
- 4.0229 -0.0280 -1.4626 O 0 0 0
- -4.7424 0.9462 -1.4672 O 0 0 0
- 4.3185 2.4481 -0.3033 O 0 0 0
- 0.7578 -1.1913 0.0000 H 0 0 0
- -1.4736 1.6897 0.0000 H 0 0 0
- 0.4371 1.7775 0.0000 H 0 0 0
- -1.6943 -2.4135 0.0000 H 0 0 0
- -0.7190 -2.9820 0.0000 H 0 0 0
- 1.1426 -3.4226 0.0000 H 0 0 0
- 2.3037 -2.8899 0.0000 H 0 0 0
- -1.0825 -3.9724 0.0000 H 0 0 0
- -3.4858 -1.3010 0.0000 H 0 0 0
- 2.2304 3.0441 0.0000 H 0 0 0
- -4.4384 3.1604 0.0000 H 0 0 0
- 4.8737 -0.4375 0.0000 H 0 0 0
- -5.6364 1.2500 0.0000 H 0 0 0
- 5.0767 3.0109 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 2 0
- 15 20 1 0
- 17 21 1 0
- 19 22 1 0
- 5 9 1 0
- 10 14 1 0
- 13 17 2 0
- 16 19 1 0
- 1 23 1 0
- 6 24 1 0
- 8 25 1 0
- 9 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 16 32 1 0
- 18 33 1 0
- 20 34 1 0
- 21 35 1 0
- 22 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-518-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 56 1 V2000
- -0.2562 -0.9018 -1.1981 C 0 0 2
- -1.6080 -0.3630 -0.7629 C 0 0 0
- -0.1203 -2.3107 -0.6601 C 0 0 2
- 0.8372 -0.0376 -0.6248 C 0 0 0
- -2.3353 -0.9202 0.2663 C 0 0 0
- -2.0854 0.7428 -1.4692 C 0 0 0
- -0.3378 -2.2037 0.8831 C 0 0 1
- 1.2460 -2.9262 -0.7313 C 0 0 0
- 2.0528 0.0576 -1.2753 C 0 0 0
- 0.6195 0.6624 0.5474 C 0 0 0
- -1.8398 -2.1077 1.0730 C 0 0 1
- -3.5820 -0.4074 0.6301 C 0 0 0
- -3.3173 1.2614 -1.1089 C 0 0 0
- 0.2872 -3.5459 1.2936 C 0 0 0
- 1.4386 -3.6640 0.3872 O 0 0 0
- 2.0384 -2.7877 -1.6328 O 0 0 0
- 3.0615 0.8522 -0.7513 C 0 0 0
- 1.6227 1.4589 1.0779 C 0 0 0
- -2.1326 -1.8994 2.4561 O 0 0 0
- -4.0623 0.6882 -0.0664 C 0 0 0
- -4.0071 2.3100 -1.6121 O 0 0 0
- 2.8486 1.5532 0.4295 C 0 0 0
- 4.2573 0.9456 -1.3924 O 0 0 0
- 1.4077 2.1467 2.2312 O 0 0 0
- -5.2161 1.3792 0.0751 O 0 0 0
- -5.0074 2.6254 -0.6212 C 0 0 0
- 3.8358 2.3340 0.9470 O 0 0 0
- 4.1667 0.1228 -2.5572 C 0 0 0
- 2.0380 1.4054 3.2778 C 0 0 0
- 3.6679 3.6377 0.3864 C 0 0 0
- 0.5886 -1.2619 0.0000 H 0 0 0
- -0.5116 -3.1415 0.0000 H 0 0 0
- -1.4390 1.3951 0.0000 H 0 0 0
- -0.1013 -1.3164 0.0000 H 0 0 0
- 2.3872 -0.7977 0.0000 H 0 0 0
- -0.2580 0.9330 0.0000 H 0 0 0
- -2.1470 -2.9731 0.0000 H 0 0 0
- -4.2239 -1.0641 0.0000 H 0 0 0
- -0.6011 -3.7788 0.0000 H 0 0 0
- 0.3580 -4.4615 0.0000 H 0 0 0
- -2.8809 -1.3671 0.0000 H 0 0 0
- -4.7723 3.5131 0.0000 H 0 0 0
- -5.9051 2.8190 0.0000 H 0 0 0
- 3.2539 0.2233 0.0000 H 0 0 0
- 4.0662 -0.7900 0.0000 H 0 0 0
- 5.0795 0.0223 0.0000 H 0 0 0
- 1.3384 0.8105 0.0000 H 0 0 0
- 2.6329 0.7058 0.0000 H 0 0 0
- 2.7376 2.0003 0.0000 H 0 0 0
- 4.5787 3.7550 0.0000 H 0 0 0
- 3.5506 4.5485 0.0000 H 0 0 0
- 2.7571 3.5204 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 2 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 17 22 2 0
- 17 23 1 0
- 18 24 1 0
- 20 25 1 0
- 21 26 1 0
- 22 27 1 0
- 23 28 1 0
- 24 29 1 0
- 27 30 1 0
- 7 11 1 0
- 13 20 1 0
- 14 15 1 0
- 18 22 1 0
- 25 26 1 0
- 1 31 1 0
- 3 32 1 0
- 6 33 1 0
- 7 34 1 0
- 9 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 14 39 1 0
- 14 40 1 0
- 19 41 1 0
- 26 42 1 0
- 26 43 1 0
- 28 44 1 0
- 28 45 1 0
- 28 46 1 0
- 29 47 1 0
- 29 48 1 0
- 29 49 1 0
- 30 50 1 0
- 30 51 1 0
- 30 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-518-34-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 88 94 1 V2000
- 1.0085 -1.2880 0.5037 C 0 0 0
- 0.1693 -2.2753 0.0288 C 0 0 0
- 2.1572 -1.6335 1.2192 C 0 0 0
- 0.7774 0.0339 0.2421 O 0 0 0
- -1.1365 -1.9027 -0.6528 C 0 0 2
- 0.5117 -3.6071 0.1694 C 0 0 0
- 2.4762 -2.9741 1.3942 C 0 0 0
- 2.9559 -0.6735 1.7590 O 0 0 0
- 1.8839 0.4606 -0.4321 C 0 0 0
- -2.2294 -2.1724 0.3837 C 0 0 0
- -1.3249 -2.8993 -1.7645 N 0 0 0
- 1.6582 -3.9563 0.8615 C 0 0 0
- -0.3197 -4.7036 -0.4540 C 0 0 0
- 3.5932 -3.3234 2.0868 O 0 0 0
- 2.5299 -0.4941 3.1112 C 0 0 0
- 2.5001 1.6646 -0.1321 C 0 0 0
- 2.3947 -0.3472 -1.4471 C 0 0 0
- -3.4164 -1.2670 0.2916 C 0 0 0
- -1.6386 -4.1293 -0.9685 C 0 0 0
- -2.6682 -2.5350 -2.3071 C 0 0 0
- 3.6455 -4.7515 2.0933 C 0 0 0
- 1.8964 2.5575 0.9303 C 0 0 2
- 3.6496 2.0404 -0.7914 C 0 0 0
- 3.5361 0.0461 -2.1252 C 0 0 0
- -3.2882 0.0611 -0.0661 C 0 0 0
- -4.6772 -1.7794 0.5761 C 0 0 0
- 1.1043 3.6575 0.1909 C 0 0 0
- 3.0126 3.2967 1.6149 N 0 0 0
- 4.1679 1.2378 -1.7954 C 0 0 0
- 4.3790 3.3107 -0.4228 C 0 0 0
- 4.0405 -0.7356 -3.1173 O 0 0 0
- -4.4079 0.8759 -0.1432 C 0 0 0
- -5.7928 -0.9724 0.5020 C 0 0 0
- -0.3256 3.2325 0.0167 C 0 0 0
- 3.4998 4.1614 0.4910 C 0 0 0
- 2.2386 4.2898 2.4322 C 0 0 0
- 5.2029 -0.0709 -3.6163 C 0 0 0
- -5.6676 0.3583 0.1409 C 0 0 0
- -4.2796 2.1816 -0.5068 O 0 0 0
- -0.8016 2.9159 -1.2430 C 0 0 0
- -1.1651 3.1541 1.1148 C 0 0 0
- -6.7653 1.1548 0.0621 O 0 0 0
- -2.9738 2.5024 -0.3220 C 0 0 0
- -2.1184 2.5519 -1.4140 C 0 0 0
- -2.4903 2.7892 0.9487 C 0 0 0
- -7.8900 0.3435 0.4070 C 0 0 0
- -1.1185 -0.9013 0.0000 H 0 0 0
- -2.9997 -2.8126 0.0000 H 0 0 0
- -1.7779 -3.0664 0.0000 H 0 0 0
- 1.9449 -4.9159 0.0000 H 0 0 0
- -0.7911 -5.5873 0.0000 H 0 0 0
- 0.5239 -5.2436 0.0000 H 0 0 0
- 2.9186 0.4290 0.0000 H 0 0 0
- 1.6068 -0.1054 0.0000 H 0 0 0
- 2.1412 -1.4172 0.0000 H 0 0 0
- 2.0630 -1.2922 0.0000 H 0 0 0
- -2.5944 -3.8301 0.0000 H 0 0 0
- -1.9886 -5.0677 0.0000 H 0 0 0
- -2.4060 -1.5683 0.0000 H 0 0 0
- -3.6349 -2.2728 0.0000 H 0 0 0
- -2.9304 -3.5017 0.0000 H 0 0 0
- 2.6446 -4.7882 0.0000 H 0 0 0
- 3.6822 -5.7524 0.0000 H 0 0 0
- 4.6464 -4.7148 0.0000 H 0 0 0
- 1.0751 1.9843 0.0000 H 0 0 0
- -2.3748 0.4720 0.0000 H 0 0 0
- -4.7972 -2.7738 0.0000 H 0 0 0
- 1.9773 4.1485 0.0000 H 0 0 0
- 0.7137 4.5798 0.0000 H 0 0 0
- 5.1685 1.2808 0.0000 H 0 0 0
- 5.2035 2.7420 0.0000 H 0 0 0
- 5.0137 4.0855 0.0000 H 0 0 0
- -6.7051 -1.3857 0.0000 H 0 0 0
- 4.1324 4.9379 0.0000 H 0 0 0
- 2.6723 4.7256 0.0000 H 0 0 0
- 3.0286 4.9055 0.0000 H 0 0 0
- 1.6229 5.0798 0.0000 H 0 0 0
- 1.4486 3.6741 0.0000 H 0 0 0
- 5.7001 -0.9404 0.0000 H 0 0 0
- 6.0724 0.4263 0.0000 H 0 0 0
- 4.7057 0.7986 0.0000 H 0 0 0
- -0.3856 2.0048 0.0000 H 0 0 0
- -1.3453 4.1393 0.0000 H 0 0 0
- -1.9551 1.5637 0.0000 H 0 0 0
- -2.8822 3.7109 0.0000 H 0 0 0
- -8.4759 1.1558 0.0000 H 0 0 0
- -8.7023 -0.2424 0.0000 H 0 0 0
- -7.3041 -0.4688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 2 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 14 21 1 0
- 16 22 1 0
- 16 23 2 0
- 17 24 1 0
- 18 25 2 0
- 18 26 1 0
- 22 27 1 0
- 22 28 1 0
- 23 29 1 0
- 23 30 1 0
- 24 31 1 0
- 25 32 1 0
- 26 33 2 0
- 27 34 1 0
- 28 35 1 0
- 28 36 1 0
- 31 37 1 0
- 32 38 2 0
- 32 39 1 0
- 34 40 1 0
- 34 41 2 0
- 38 42 1 0
- 39 43 1 0
- 40 44 2 0
- 41 45 1 0
- 42 46 1 0
- 7 12 2 0
- 13 19 1 0
- 24 29 2 0
- 30 35 1 0
- 33 38 1 0
- 43 44 1 0
- 43 45 2 0
- 5 47 1 0
- 10 48 1 0
- 10 49 1 0
- 12 50 1 0
- 13 51 1 0
- 13 52 1 0
- 15 53 1 0
- 15 54 1 0
- 15 55 1 0
- 17 56 1 0
- 19 57 1 0
- 19 58 1 0
- 20 59 1 0
- 20 60 1 0
- 20 61 1 0
- 21 62 1 0
- 21 63 1 0
- 21 64 1 0
- 22 65 1 0
- 25 66 1 0
- 26 67 1 0
- 27 68 1 0
- 27 69 1 0
- 29 70 1 0
- 30 71 1 0
- 30 72 1 0
- 33 73 1 0
- 35 74 1 0
- 35 75 1 0
- 36 76 1 0
- 36 77 1 0
- 36 78 1 0
- 37 79 1 0
- 37 80 1 0
- 37 81 1 0
- 40 82 1 0
- 41 83 1 0
- 44 84 1 0
- 45 85 1 0
- 46 86 1 0
- 46 87 1 0
- 46 88 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-518-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.1161 0.5727 0.0902 C 0 0 0
- -0.7059 -0.7831 0.1393 C 0 0 0
- -0.2082 1.5704 -0.0085 C 0 0 0
- -2.5867 0.9119 0.1562 C 0 0 1
- 0.6701 -1.1188 0.1075 C 0 0 0
- -1.6569 -1.7974 0.2119 C 0 0 0
- 1.1734 1.2866 -0.0562 C 0 0 0
- -0.6773 3.0013 -0.0687 C 0 0 0
- -3.3925 -0.2546 -0.4266 C 0 0 2
- -2.9937 1.1349 1.6141 C 0 0 0
- 1.6246 -0.1049 0.0097 C 0 0 0
- 1.0560 -2.4121 0.1720 O 0 0 0
- -2.9608 -1.4841 0.2241 O 0 0 0
- 1.9860 2.1940 -0.1512 O 0 0 0
- -3.1303 -0.3545 -1.9306 C 0 0 0
- 3.0545 -0.4278 -0.0261 C 0 0 0
- 3.9602 0.5459 -0.2502 O 0 0 0
- 3.4236 -1.5735 0.1463 O 0 0 0
- -2.2155 1.8864 0.0000 H 0 0 0
- -1.3578 -2.7964 0.0000 H 0 0 0
- 0.3136 3.3262 0.0000 H 0 0 0
- -1.0022 3.9922 0.0000 H 0 0 0
- -1.6682 2.6764 0.0000 H 0 0 0
- -4.4260 -0.1159 0.0000 H 0 0 0
- -2.4926 2.0494 0.0000 H 0 0 0
- -3.9082 1.6360 0.0000 H 0 0 0
- -3.4948 0.2204 0.0000 H 0 0 0
- 1.3542 -3.4114 0.0000 H 0 0 0
- -3.5016 -1.3290 0.0000 H 0 0 0
- -2.1558 -0.7258 0.0000 H 0 0 0
- -2.7590 0.6200 0.0000 H 0 0 0
- 4.6704 1.3094 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 9 15 1 0
- 11 16 1 0
- 16 17 1 0
- 16 18 2 0
- 7 11 1 0
- 9 13 1 0
- 4 19 1 0
- 6 20 1 0
- 8 21 1 0
- 8 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-520-26-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 77 81 1 V2000
- 0.5629 -2.6988 -1.2899 C 0 0 0
- 0.6034 -2.0221 -0.0593 C 0 0 0
- 1.7530 -2.6973 -2.1526 C 0 0 0
- -0.5970 -3.3799 -1.6935 C 0 0 0
- 1.6774 -1.3164 0.3509 O 0 0 0
- -0.5131 -2.0711 0.7654 C 0 0 0
- 2.8892 -1.7981 -1.6886 C 0 0 0
- 1.8243 -3.3660 -3.1630 O 0 0 0
- -1.6981 -3.4087 -0.8573 C 0 0 0
- -0.6372 -4.0052 -2.8963 O 0 0 0
- 2.8831 -1.8696 -0.1536 C 0 0 1
- -1.6508 -2.7591 0.3702 C 0 0 0
- 4.0567 -1.0961 0.3900 C 0 0 0
- -2.7299 -2.7983 1.1916 O 0 0 0
- 5.2700 -1.7301 0.5852 C 0 0 0
- 3.9195 0.2467 0.6869 C 0 0 0
- -3.5752 -1.7094 0.8153 C 0 0 2
- 6.3497 -1.0206 1.0848 C 0 0 0
- 4.9934 0.9609 1.1859 C 0 0 0
- -3.0144 -0.4864 1.2889 O 0 0 0
- -4.9663 -1.9106 1.4207 C 0 0 1
- 6.2100 0.3305 1.3892 C 0 0 0
- 7.5435 -1.6427 1.2778 O 0 0 0
- -3.7835 0.5821 0.7401 C 0 0 1
- -5.8741 -0.7564 0.9808 C 0 0 2
- -5.5119 -3.1482 0.9596 O 0 0 0
- 7.2671 1.0313 1.8799 O 0 0 0
- -5.1916 0.5684 1.3394 C 0 0 2
- -3.1056 1.9156 1.0611 C 0 0 0
- -7.1257 -0.8478 1.6644 O 0 0 0
- 6.8137 2.3703 2.0888 C 0 0 0
- -5.9485 1.6549 0.8021 O 0 0 0
- -1.8720 2.0073 0.3455 O 0 0 0
- -1.3600 3.3220 0.5717 C 0 0 1
- 0.1648 3.3048 0.4425 C 0 0 1
- -1.9160 4.2202 -0.3867 O 0 0 0
- 0.5416 2.8142 -0.9600 C 0 0 1
- 0.6744 4.6255 0.6379 O 0 0 0
- -1.6893 3.6650 -1.6808 C 0 0 2
- -0.1914 3.6759 -1.9944 C 0 0 2
- 1.9525 2.9431 -1.1467 O 0 0 0
- -2.4358 4.4929 -2.7288 C 0 0 0
- 0.0255 3.1394 -3.3010 O 0 0 0
- -0.8013 -1.1188 0.0000 H 0 0 0
- 3.8704 -1.6333 0.0000 H 0 0 0
- 2.4854 -0.8888 0.0000 H 0 0 0
- -2.4178 -4.0957 0.0000 H 0 0 0
- -0.7010 -4.9981 0.0000 H 0 0 0
- 2.9589 -2.8616 0.0000 H 0 0 0
- 5.3197 -2.7238 0.0000 H 0 0 0
- 3.0198 0.6714 0.0000 H 0 0 0
- -4.1712 -0.9127 0.0000 H 0 0 0
- 4.9393 1.9543 0.0000 H 0 0 0
- -4.3645 -2.7029 0.0000 H 0 0 0
- 8.4258 -2.1025 0.0000 H 0 0 0
- -4.2328 -0.3056 0.0000 H 0 0 0
- -6.2759 -1.6666 0.0000 H 0 0 0
- -5.9132 -4.0586 0.0000 H 0 0 0
- -4.7354 1.4526 0.0000 H 0 0 0
- -2.9990 2.9048 0.0000 H 0 0 0
- -4.0593 2.1990 0.0000 H 0 0 0
- -8.1180 -0.9203 0.0000 H 0 0 0
- 7.7561 2.6894 0.0000 H 0 0 0
- 6.4946 3.3127 0.0000 H 0 0 0
- 5.8713 2.0512 0.0000 H 0 0 0
- -6.5172 2.4713 0.0000 H 0 0 0
- -2.3508 3.2311 0.0000 H 0 0 0
- -0.2801 2.4149 0.0000 H 0 0 0
- 0.1657 1.8930 0.0000 H 0 0 0
- 1.0326 5.5537 0.0000 H 0 0 0
- -2.0903 2.7545 0.0000 H 0 0 0
- 0.2227 4.5805 0.0000 H 0 0 0
- 2.9433 3.0336 0.0000 H 0 0 0
- -1.6969 5.1591 0.0000 H 0 0 0
- -3.1020 5.2318 0.0000 H 0 0 0
- -3.1747 3.8267 0.0000 H 0 0 0
- 0.3984 2.2170 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 13 16 2 0
- 17 14 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 22 27 1 0
- 24 28 1 0
- 24 29 1 0
- 25 30 1 0
- 27 31 1 0
- 28 32 1 0
- 29 33 1 0
- 34 33 1 0
- 34 35 1 0
- 34 36 1 0
- 35 37 1 0
- 35 38 1 0
- 36 39 1 0
- 37 40 1 0
- 37 41 1 0
- 39 42 1 0
- 40 43 1 0
- 7 11 1 0
- 9 12 1 0
- 19 22 2 0
- 25 28 1 0
- 39 40 1 0
- 6 44 1 0
- 7 45 1 0
- 7 46 1 0
- 9 47 1 0
- 10 48 1 0
- 11 49 1 0
- 15 50 1 0
- 16 51 1 0
- 17 52 1 0
- 19 53 1 0
- 21 54 1 0
- 23 55 1 0
- 24 56 1 0
- 25 57 1 0
- 26 58 1 0
- 28 59 1 0
- 29 60 1 0
- 29 61 1 0
- 30 62 1 0
- 31 63 1 0
- 31 64 1 0
- 31 65 1 0
- 32 66 1 0
- 34 67 1 0
- 35 68 1 0
- 37 69 1 0
- 38 70 1 0
- 39 71 1 0
- 40 72 1 0
- 41 73 1 0
- 42 74 1 0
- 42 75 1 0
- 42 76 1 0
- 43 77 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-521-31-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.5087 -0.8155 0.0021 C 0 0 0
- -0.4974 0.1732 0.0013 C 0 0 0
- 1.9231 -0.3829 0.0010 C 0 0 0
- 0.1592 -2.1567 -0.0018 C 0 0 0
- -0.0940 1.5911 -0.0006 C 0 0 0
- -1.8408 -0.2060 0.0019 C 0 0 0
- 2.2129 0.9330 -0.0008 N 0 0 0
- 2.8163 -1.2072 0.0021 O 0 0 0
- -1.1784 -2.5206 -0.0064 C 0 0 0
- 1.2152 1.9089 -0.0016 N 0 0 0
- -0.9369 2.4675 -0.0018 O 0 0 0
- -2.1695 -1.5605 0.0032 C 0 0 0
- -2.8406 0.7575 0.0015 N 0 0 0
- 0.8989 -2.8885 0.0000 H 0 0 0
- 3.2100 1.2304 0.0000 H 0 0 0
- -1.4378 -3.5283 0.0000 H 0 0 0
- 1.4908 2.9122 0.0000 H 0 0 0
- -3.1690 -1.8497 0.0000 H 0 0 0
- -2.5899 1.7674 0.0000 H 0 0 0
- -3.8405 0.4697 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 6 13 1 0
- 7 10 1 0
- 9 12 1 0
- 4 14 1 0
- 7 15 1 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 1 0
- 13 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53-43-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 49 52 1 V2000
- 0.6216 0.8191 -0.0914 C 0 0 2
- -0.1095 -0.4177 0.4484 C 0 0 1
- 2.0424 0.7824 0.4432 C 0 0 1
- -0.0924 2.0666 0.4413 C 0 0 0
- -1.5379 -0.4598 -0.0687 C 0 0 2
- 0.6112 -1.7109 0.0785 C 0 0 0
- 2.7214 -0.4774 -0.1578 C 0 0 2
- 2.9685 1.8921 -0.0707 C 0 0 0
- -1.5412 2.0102 0.0540 C 0 0 0
- -2.1738 0.8951 -0.1657 C 0 0 0
- -2.3923 -1.3608 0.8276 C 0 0 0
- -1.5217 -1.0809 -1.4668 C 0 0 0
- 2.0867 -1.6829 0.5073 C 0 0 0
- 4.1803 -0.2512 0.1089 C 0 0 0
- 2.4722 -0.5307 -1.6664 C 0 0 0
- 4.3773 1.2614 0.1032 C 0 0 0
- -3.6445 0.9647 -0.5411 C 0 0 0
- -3.8307 -1.3786 0.3069 C 0 0 0
- 5.0257 -1.0942 0.2911 O 0 0 0
- -4.4249 0.0287 0.3867 C 0 0 2
- -5.7950 -0.0091 -0.0176 O 0 0 0
- 1.1742 1.7444 0.0000 H 0 0 0
- -0.6573 0.5105 0.0000 H 0 0 0
- 1.5982 1.7644 0.0000 H 0 0 0
- 0.9165 2.4458 0.0000 H 0 0 0
- -0.3057 3.1231 0.0000 H 0 0 0
- -0.4030 -2.0757 0.0000 H 0 0 0
- 0.8064 -2.7709 0.0000 H 0 0 0
- 3.4969 2.8314 0.0000 H 0 0 0
- 2.0814 2.5042 0.0000 H 0 0 0
- -2.1016 2.9308 0.0000 H 0 0 0
- -2.6534 -2.4065 0.0000 H 0 0 0
- -1.4474 -1.8792 0.0000 H 0 0 0
- -2.5991 -1.1090 0.0000 H 0 0 0
- -1.4936 -2.1583 0.0000 H 0 0 0
- -0.4443 -1.0528 0.0000 H 0 0 0
- 1.9268 -2.7488 0.0000 H 0 0 0
- 3.1109 -2.0186 0.0000 H 0 0 0
- 2.2468 0.5233 0.0000 H 0 0 0
- 1.4182 -0.7561 0.0000 H 0 0 0
- 2.6976 -1.5847 0.0000 H 0 0 0
- 5.4275 1.0192 0.0000 H 0 0 0
- 4.7202 2.2832 0.0000 H 0 0 0
- -3.3641 2.0054 0.0000 H 0 0 0
- -4.6009 1.4615 0.0000 H 0 0 0
- -4.8693 -1.6666 0.0000 H 0 0 0
- -3.6788 -2.4456 0.0000 H 0 0 0
- -4.8953 0.9984 0.0000 H 0 0 0
- -6.8724 -0.0388 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 2 0
- 17 20 1 0
- 20 21 1 0
- 7 13 1 0
- 9 10 2 0
- 14 16 1 0
- 18 20 1 0
- 1 22 1 0
- 2 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 11 32 1 0
- 11 33 1 0
- 12 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 15 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 17 44 1 0
- 17 45 1 0
- 18 46 1 0
- 18 47 1 0
- 20 48 1 0
- 21 49 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.9711 0.1148 -0.8513 C 0 0 1
- -0.4744 0.0061 -0.4393 C 0 0 0
- 1.6757 1.0305 0.0646 N 0 0 0
- 1.6470 -1.2669 -0.7260 C 0 0 0
- -1.4236 0.8620 -0.9762 C 0 0 0
- -0.8715 -0.9521 0.4744 C 0 0 0
- 2.7356 0.2733 0.7640 C 0 0 0
- 0.7022 1.4365 1.0871 C 0 0 0
- 3.0539 -0.9188 -0.1726 C 0 0 0
- -2.7418 0.7250 -0.5682 C 0 0 0
- -2.1345 -1.0535 0.8394 N 0 0 0
- -3.0632 -0.2531 0.3535 C 0 0 0
- 0.5197 0.9510 0.0000 H 0 0 0
- 0.7660 -1.6230 0.0000 H 0 0 0
- 1.9399 -2.1709 0.0000 H 0 0 0
- -1.1291 1.7655 0.0000 H 0 0 0
- -0.3124 -1.7205 0.0000 H 0 0 0
- 3.6854 0.2421 0.0000 H 0 0 0
- 3.0405 1.1734 0.0000 H 0 0 0
- 1.0680 2.3136 0.0000 H 0 0 0
- -0.1749 1.8023 0.0000 H 0 0 0
- 0.3364 0.5594 0.0000 H 0 0 0
- 3.2878 -1.8399 0.0000 H 0 0 0
- 3.9735 -0.6793 0.0000 H 0 0 0
- -3.3382 1.4649 0.0000 H 0 0 0
- -3.9788 -0.5075 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 10 12 2 0
- 7 9 1 0
- 11 12 1 0
- 1 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54-42-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 2.3835 -0.8135 0.4178 C 0 0 2
- 0.9645 -1.1623 0.3123 N 0 0 0
- 2.5133 0.6005 0.6816 O 0 0 0
- 3.0687 -1.0242 -0.9506 C 0 0 0
- 0.5897 -2.4532 0.3680 C 0 0 0
- 0.0320 -0.1714 0.1635 C 0 0 0
- 3.8471 0.9473 0.2498 C 0 0 1
- 4.0537 0.1608 -1.0636 C 0 0 1
- -0.7068 -2.8021 0.2737 N 0 0 0
- 1.4343 -3.3171 0.5052 O 0 0 0
- -1.2759 -0.4932 0.0666 C 0 0 0
- 3.9158 2.4483 -0.0384 C 0 0 0
- 5.3926 -0.3361 -1.1157 O 0 0 0
- -1.6558 -1.8564 0.1213 C 0 0 0
- -2.7235 1.0040 -0.1613 I 0 0 0
- 3.6359 3.1765 1.1588 O 0 0 0
- -2.8291 -2.1713 0.0358 O 0 0 0
- 2.3544 -1.8284 0.0000 H 0 0 0
- 2.6454 -1.9471 0.0000 H 0 0 0
- 3.9280 -1.5651 0.0000 H 0 0 0
- 0.3197 0.8023 0.0000 H 0 0 0
- 4.8568 1.0543 0.0000 H 0 0 0
- 3.0625 0.3807 0.0000 H 0 0 0
- -0.9682 -3.7832 0.0000 H 0 0 0
- 4.8380 2.0234 0.0000 H 0 0 0
- 4.6566 3.1426 0.0000 H 0 0 0
- 6.3445 -0.6894 0.0000 H 0 0 0
- 3.2716 4.1242 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 7 8 1 0
- 11 14 1 0
- 1 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-546-80-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.8024 -0.0629 -0.4400 C 0 0 1
- -0.1478 -1.2629 -0.4960 C 0 0 2
- 0.4298 -0.6824 -1.7884 C 0 0 0
- -0.0412 1.1752 -0.1269 C 0 0 0
- 2.2280 -0.1495 0.1089 C 0 0 0
- -1.5598 -0.7424 -0.2164 C 0 0 2
- -1.4778 0.7445 0.0063 C 0 0 0
- 2.8942 1.2248 0.0169 C 0 0 0
- 2.1852 -0.5986 1.5708 C 0 0 0
- -2.1122 -1.4167 1.0409 C 0 0 0
- -2.4103 1.4714 0.2519 O 0 0 0
- 0.0881 -2.3312 0.0000 H 0 0 0
- 0.7996 -1.7120 0.0000 H 0 0 0
- 1.5185 -0.7898 0.0000 H 0 0 0
- 0.9211 1.6957 0.0000 H 0 0 0
- -0.4607 2.1856 0.0000 H 0 0 0
- 3.2814 -0.4447 0.0000 H 0 0 0
- -2.5795 -0.3460 0.0000 H 0 0 0
- 3.8787 0.7476 0.0000 H 0 0 0
- 3.3714 2.2093 0.0000 H 0 0 0
- 1.9097 1.7020 0.0000 H 0 0 0
- 1.0961 -0.4948 0.0000 H 0 0 0
- 2.0814 -1.6877 0.0000 H 0 0 0
- 3.2743 -0.7024 0.0000 H 0 0 0
- -2.9585 -0.7234 0.0000 H 0 0 0
- -2.8055 -2.2630 0.0000 H 0 0 0
- -1.2659 -2.1100 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 2 3 1 0
- 6 7 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 10 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-555-30-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -2.2677 -0.5745 0.0600 C 0 0 1
- -2.1157 0.9017 -0.2020 C 0 0 0
- -1.2779 -1.0047 1.1445 C 0 0 0
- -3.6951 -0.8651 0.5280 C 0 0 0
- -1.9958 -1.3217 -1.1752 N 0 0 0
- -2.3767 1.3972 -1.4218 O 0 0 0
- -1.7588 1.6392 0.6860 O 0 0 0
- 0.1301 -0.7730 0.6600 C 0 0 0
- 0.6755 0.4965 0.7067 C 0 0 0
- 0.8756 -1.8315 0.1750 C 0 0 0
- 1.9701 0.7111 0.2620 C 0 0 0
- 2.1678 -1.6242 -0.2702 C 0 0 0
- 2.7186 -0.3533 -0.2310 C 0 0 0
- 2.5080 1.9594 0.3069 O 0 0 0
- 3.9897 -0.1477 -0.6687 O 0 0 0
- -1.9416 -1.7278 0.0000 H 0 0 0
- -0.8111 -1.8681 0.0000 H 0 0 0
- -3.8909 0.0967 0.0000 H 0 0 0
- -4.6569 -1.0609 0.0000 H 0 0 0
- -3.4993 -1.8269 0.0000 H 0 0 0
- -2.6268 -2.0736 0.0000 H 0 0 0
- -1.0292 -1.4922 0.0000 H 0 0 0
- -2.8341 2.2656 0.0000 H 0 0 0
- 0.0701 1.2691 0.0000 H 0 0 0
- 0.4942 -2.7359 0.0000 H 0 0 0
- 2.7700 -2.3993 0.0000 H 0 0 0
- 2.8964 2.8608 0.0000 H 0 0 0
- 4.9586 0.0090 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 8 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 2 0
- 11 14 1 0
- 13 15 1 0
- 12 13 1 0
- 3 16 1 0
- 3 17 1 0
- 4 18 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 9 24 1 0
- 10 25 1 0
- 12 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-04-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.1164 1.2655 0.0020 C 0 0 0
- -1.8383 0.1241 0.0011 C 0 0 0
- 0.2500 1.2028 0.0017 N 0 0 0
- -1.8129 2.6018 -0.0029 C 0 0 0
- -1.1610 -1.1193 -0.0002 C 0 0 0
- 0.8817 0.0149 0.0005 C 0 0 0
- 0.1872 -1.1381 -0.0004 N 0 0 0
- -1.7903 -2.1619 -0.0006 O 0 0 0
- 2.5931 -0.0308 -0.0005 S 0 0 0
- -2.8507 0.1571 0.0000 H 0 0 0
- 0.7914 2.0588 0.0000 H 0 0 0
- -0.9147 3.0700 0.0000 H 0 0 0
- -2.2811 3.5000 0.0000 H 0 0 0
- -2.7111 2.1336 0.0000 H 0 0 0
- 0.6793 -2.0234 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 2 0
- 6 9 2 0
- 6 7 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-56-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- 1.1329 -0.5366 -0.4636 C 0 0 1
- -0.1221 0.2067 -0.0017 C 0 0 0
- 2.3573 0.2315 -0.0369 C 0 0 0
- 1.1594 -1.8753 0.1408 N 0 0 0
- -1.3651 -0.5731 -0.4349 C 0 0 0
- 2.8824 1.1623 -0.8490 O 0 0 0
- 2.8662 0.0094 1.0362 O 0 0 0
- -2.6012 0.1591 0.0201 C 0 0 0
- -3.8164 -0.3429 -0.2505 O 0 0 0
- -2.4985 1.1980 0.6284 O 0 0 0
- 0.2654 -1.0425 0.0000 H 0 0 0
- 0.5197 0.9791 0.0000 H 0 0 0
- -0.7834 0.9624 0.0000 H 0 0 0
- 0.2998 -2.3945 0.0000 H 0 0 0
- 2.0388 -2.3601 0.0000 H 0 0 0
- -2.0069 -1.3455 0.0000 H 0 0 0
- -0.7038 -1.3288 0.0000 H 0 0 0
- 3.3758 2.0369 0.0000 H 0 0 0
- -4.7445 -0.7263 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 8 10 2 0
- 1 11 1 0
- 2 12 1 0
- 2 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 5 17 1 0
- 6 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-63-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 49 1 V2000
- -1.5538 0.8496 -0.4181 C 0 0 2
- -2.1677 -0.2956 0.4347 C 0 0 1
- -0.0895 0.9234 -0.0376 C 0 0 1
- -2.4162 2.0435 0.0048 C 0 0 0
- -3.6688 -0.0845 0.2745 C 0 0 1
- -1.6065 -1.6063 -0.0751 C 0 0 0
- -1.7745 -0.1135 1.9021 C 0 0 0
- 0.5582 -0.3896 -0.4962 C 0 0 2
- 0.6237 2.0733 -0.7485 C 0 0 0
- -3.8462 1.4387 0.0528 C 0 0 0
- -4.1674 -0.8313 -0.8918 C 0 0 0
- -4.3561 -0.4981 1.4572 O 0 0 0
- -0.0863 -1.5930 0.1761 C 0 0 0
- 2.0405 -0.3441 -0.2663 C 0 0 0
- 2.0343 2.1893 -0.1724 C 0 0 0
- -4.5651 -1.4269 -1.8221 C 0 0 0
- 2.7199 0.8490 -0.1312 C 0 0 0
- 2.7325 -1.5457 -0.1934 C 0 0 0
- 4.0945 0.8357 0.0644 C 0 0 0
- 4.0965 -1.5599 0.0054 C 0 0 0
- 4.7848 -0.3617 0.1330 C 0 0 0
- 6.1302 -0.3642 0.3243 O 0 0 0
- -1.1053 1.7842 0.0000 H 0 0 0
- -0.6162 1.8162 0.0000 H 0 0 0
- -1.5327 2.5857 0.0000 H 0 0 0
- -2.8905 2.9652 0.0000 H 0 0 0
- -2.6048 -1.8854 0.0000 H 0 0 0
- -1.4611 -2.6327 0.0000 H 0 0 0
- -1.3389 -1.0541 0.0000 H 0 0 0
- -0.8339 0.3221 0.0000 H 0 0 0
- -2.2101 0.8271 0.0000 H 0 0 0
- -0.4783 -0.3723 0.0000 H 0 0 0
- 0.7584 3.1011 0.0000 H 0 0 0
- -0.3526 2.4217 0.0000 H 0 0 0
- -4.1579 2.4273 0.0000 H 0 0 0
- -4.8599 1.2219 0.0000 H 0 0 0
- -5.2443 -1.0326 0.0000 H 0 0 0
- -0.2495 -2.6167 0.0000 H 0 0 0
- 0.8961 -1.9239 0.0000 H 0 0 0
- 3.0107 2.5375 0.0000 H 0 0 0
- 1.8159 3.2026 0.0000 H 0 0 0
- -5.1407 -2.2890 0.0000 H 0 0 0
- 2.2090 -2.4404 0.0000 H 0 0 0
- 4.6174 1.7307 0.0000 H 0 0 0
- 4.6111 -2.4597 0.0000 H 0 0 0
- 7.1668 -0.3661 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 3 0
- 14 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 2 0
- 19 21 2 0
- 21 22 1 0
- 5 10 1 0
- 8 13 1 0
- 15 17 1 0
- 20 21 1 0
- 1 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 18 43 1 0
- 19 44 1 0
- 20 45 1 0
- 22 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-83-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 53 56 1 V2000
- 0.7339 0.3410 0.3033 C 0 0 1
- -0.0542 -0.9153 -0.1051 C 0 0 2
- 2.0141 0.4089 -0.5302 C 0 0 2
- -0.0843 1.6105 0.0872 C 0 0 0
- -1.3360 -0.9276 0.7070 C 0 0 1
- 0.7693 -2.1674 0.1970 C 0 0 0
- 2.7840 -0.8642 -0.3643 C 0 0 0
- 2.7911 1.6752 -0.2646 C 0 0 0
- 1.5785 0.4723 -1.9956 C 0 0 0
- -1.4448 1.5358 0.7988 C 0 0 0
- -2.1629 0.3105 0.2671 C 0 0 2
- -2.3061 -2.0734 0.3996 C 0 0 0
- 2.0513 -2.1657 -0.6433 C 0 0 0
- 4.0490 -0.9169 0.0439 C 0 0 0
- 3.8530 1.4880 0.8185 C 0 0 0
- -3.5454 0.0318 0.8482 C 0 0 2
- -2.2415 0.3693 -1.2597 C 0 0 0
- -3.6708 -1.5118 0.8842 C 0 0 0
- 4.7394 0.3316 0.3962 C 0 0 0
- -4.5989 0.6002 -0.0673 C 0 0 0
- 5.9478 0.4316 0.3522 O 0 0 0
- -5.2218 1.9377 0.2395 C 0 0 0
- -4.9440 -0.0162 -1.0468 O 0 0 0
- 1.2752 -0.5792 0.0000 H 0 0 0
- -0.5564 -1.8574 0.0000 H 0 0 0
- 0.8990 2.0262 0.0000 H 0 0 0
- -0.3250 2.6506 0.0000 H 0 0 0
- -0.8823 -1.8940 0.0000 H 0 0 0
- -0.2188 -2.5716 0.0000 H 0 0 0
- 0.9760 -3.2148 0.0000 H 0 0 0
- 3.1064 2.6952 0.0000 H 0 0 0
- 1.8185 2.1155 0.0000 H 0 0 0
- 1.7323 1.5288 0.0000 H 0 0 0
- 0.5220 0.6261 0.0000 H 0 0 0
- 1.4247 -0.5842 0.0000 H 0 0 0
- -1.2957 2.5929 0.0000 H 0 0 0
- -2.4530 1.8869 0.0000 H 0 0 0
- -2.8127 -3.0131 0.0000 H 0 0 0
- -1.4241 -2.6749 0.0000 H 0 0 0
- 1.8707 -3.2179 0.0000 H 0 0 0
- 3.0573 -2.5231 0.0000 H 0 0 0
- 4.5720 -1.8476 0.0000 H 0 0 0
- 4.8453 1.8818 0.0000 H 0 0 0
- 3.7446 2.5501 0.0000 H 0 0 0
- -3.3881 1.0877 0.0000 H 0 0 0
- -1.6020 1.2242 0.0000 H 0 0 0
- -3.0964 1.0088 0.0000 H 0 0 0
- -2.8810 -0.4856 0.0000 H 0 0 0
- -4.7203 -1.3163 0.0000 H 0 0 0
- -3.9733 -2.5356 0.0000 H 0 0 0
- -4.2540 2.3884 0.0000 H 0 0 0
- -5.6725 2.9055 0.0000 H 0 0 0
- -6.1896 1.4870 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 16 20 1 0
- 19 21 2 0
- 20 22 1 0
- 20 23 2 0
- 7 13 1 0
- 10 11 1 0
- 15 19 1 0
- 16 18 1 0
- 1 24 1 0
- 2 25 1 0
- 4 26 1 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 6 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 9 35 1 0
- 10 36 1 0
- 10 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 13 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 17 46 1 0
- 17 47 1 0
- 17 48 1 0
- 18 49 1 0
- 18 50 1 0
- 22 51 1 0
- 22 52 1 0
- 22 53 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-574-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.0344 -0.2402 -0.0748 N 0 0 0
- -1.2187 0.3848 -0.3730 C 0 0 0
- 1.3089 0.2504 -0.3930 C 0 0 2
- -0.3367 -1.3986 0.5772 C 0 0 0
- -2.2332 -0.4509 0.1225 C 0 0 0
- -1.5547 1.5184 -0.9810 N 0 0 0
- 2.2067 -0.8703 -0.5468 O 0 0 0
- 1.8670 1.0408 0.8112 C 0 0 1
- -1.6273 -1.5185 0.6947 N 0 0 0
- -3.5690 -0.0464 -0.0489 C 0 0 0
- -2.8193 1.8569 -1.1188 C 0 0 0
- 3.5284 -0.3325 -0.3234 C 0 0 1
- 3.3607 0.6485 0.8580 C 0 0 1
- 1.7503 2.4421 0.5566 O 0 0 0
- -3.8075 1.1048 -0.6701 N 0 0 0
- -4.8958 -1.0421 0.5452 S 0 0 0
- 4.4768 -1.4624 0.0826 C 0 0 0
- 4.1650 1.8079 0.6322 O 0 0 0
- 4.5619 -2.4169 -0.9775 O 0 0 0
- 0.7099 1.0333 0.0000 H 0 0 0
- 0.3014 -2.1500 0.0000 H 0 0 0
- 0.9158 1.2998 0.0000 H 0 0 0
- -3.0098 2.8241 0.0000 H 0 0 0
- 4.4229 0.0818 0.0000 H 0 0 0
- 4.3230 0.4347 0.0000 H 0 0 0
- 1.6685 3.4245 0.0000 H 0 0 0
- -5.6843 -1.6338 0.0000 H 0 0 0
- 5.4363 -1.6886 0.0000 H 0 0 0
- 4.9938 -0.6230 0.0000 H 0 0 0
- 4.7269 2.6179 0.0000 H 0 0 0
- 4.6494 -3.3988 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 17 19 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 20 1 0
- 4 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-58-61-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.3758 -0.3523 0.0006 N 0 0 0
- -1.6076 0.1772 -0.2900 C 0 0 0
- 0.9216 0.2078 -0.3860 C 0 0 2
- -0.5802 -1.4919 0.7200 C 0 0 0
- -2.5489 -0.6961 0.2803 C 0 0 0
- -2.0367 1.2524 -0.9432 N 0 0 0
- 1.8878 -0.8582 -0.5122 O 0 0 0
- 1.4604 1.0956 0.7576 C 0 0 1
- -1.8557 -1.6900 0.8859 N 0 0 0
- -3.9127 -0.3901 0.1324 C 0 0 0
- -3.3246 1.4991 -1.0563 C 0 0 0
- 3.1763 -0.2238 -0.3598 C 0 0 1
- 2.9779 0.8052 0.7752 C 0 0 1
- 1.2425 2.4708 0.4361 O 0 0 0
- -4.2462 0.7076 -0.5382 N 0 0 0
- -4.8855 -1.2127 0.6728 N 0 0 0
- 4.2100 -1.2660 0.0717 C 0 0 0
- 3.6955 2.0012 0.4646 O 0 0 0
- 4.3278 -2.2675 -0.9408 O 0 0 0
- 0.2859 0.9379 0.0000 H 0 0 0
- 0.0963 -2.1844 0.0000 H 0 0 0
- 0.5105 1.2824 0.0000 H 0 0 0
- -3.5736 2.4346 0.0000 H 0 0 0
- 4.0323 0.2283 0.0000 H 0 0 0
- 3.9312 0.6367 0.0000 H 0 0 0
- 1.0910 3.4270 0.0000 H 0 0 0
- -5.7965 -0.8851 0.0000 H 0 0 0
- -4.7138 -2.1654 0.0000 H 0 0 0
- 5.1616 -1.4442 0.0000 H 0 0 0
- 4.6633 -0.4106 0.0000 H 0 0 0
- 4.1936 2.8313 0.0000 H 0 0 0
- 4.4409 -3.2290 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 17 19 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 20 1 0
- 4 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-85-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -2.2943 0.0889 -1.1500 C 0 0 1
- -3.4939 0.5455 -0.3214 C 0 0 1
- -1.0167 0.9102 -0.9206 C 0 0 1
- -2.0584 -1.2951 -0.7082 N 0 0 0
- -3.8226 -0.6239 0.5097 N 0 0 0
- -3.2107 1.7450 0.5953 C 0 0 0
- -1.3743 1.7990 0.6478 S 0 0 0
- 0.1673 -0.0361 -0.7120 C 0 0 0
- -2.9643 -1.6138 0.2269 C 0 0 0
- 1.4399 0.7820 -0.4835 C 0 0 0
- -3.0038 -2.7013 0.7691 O 0 0 0
- 2.6239 -0.1643 -0.2749 C 0 0 0
- 3.8965 0.6538 -0.0464 C 0 0 0
- 5.0627 -0.2783 0.1591 C 0 0 0
- 6.2895 0.2200 0.3787 O 0 0 0
- 4.8933 -1.4742 0.1262 O 0 0 0
- -2.3972 1.0767 0.0000 H 0 0 0
- -4.4554 0.7940 0.0000 H 0 0 0
- -0.2199 1.5029 0.0000 H 0 0 0
- -1.2025 -1.7987 0.0000 H 0 0 0
- -4.7917 -0.8408 0.0000 H 0 0 0
- -3.1534 2.7365 0.0000 H 0 0 0
- -4.1934 1.8883 0.0000 H 0 0 0
- -0.5330 -0.7402 0.0000 H 0 0 0
- 0.7915 -0.8085 0.0000 H 0 0 0
- 2.1402 1.4861 0.0000 H 0 0 0
- 0.8157 1.5544 0.0000 H 0 0 0
- 1.9236 -0.8684 0.0000 H 0 0 0
- 3.2481 -0.9367 0.0000 H 0 0 0
- 4.5968 1.3579 0.0000 H 0 0 0
- 3.2723 1.4262 0.0000 H 0 0 0
- 7.2096 0.5937 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 8 10 1 0
- 9 11 2 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 14 16 2 0
- 5 9 1 0
- 6 7 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 4 20 1 0
- 5 21 1 0
- 6 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 10 26 1 0
- 10 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 15 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-94-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 24 1 V2000
- -1.2661 0.0525 0.0298 C 0 0 0
- -1.2129 -1.3424 0.0626 C 0 0 0
- -0.1073 0.7949 -0.0117 C 0 0 0
- -2.8395 0.8515 0.0497 S 0 0 0
- 0.0328 -1.9762 0.0582 C 0 0 0
- -2.3553 -2.0899 0.0931 N 0 0 0
- 1.1221 0.1590 -0.0175 C 0 0 0
- -3.7409 -0.3630 -0.6387 N 0 0 0
- -3.2406 0.9497 1.4093 O 0 0 0
- -2.7804 1.9131 -0.8930 O 0 0 0
- 1.1887 -1.2238 0.0184 C 0 0 0
- -3.5232 -1.6513 -0.2384 C 0 0 0
- 2.6044 1.1102 -0.0712 S 0 0 0
- 2.7342 -2.0144 0.0137 Cl 0 0 0
- 3.4735 0.7499 1.2915 N 0 0 0
- 3.3576 0.5902 -1.1583 O 0 0 0
- 2.1997 2.4644 0.0758 O 0 0 0
- -0.1552 1.8300 0.0000 H 0 0 0
- 0.0879 -3.0110 0.0000 H 0 0 0
- -4.7485 -0.1212 0.0000 H 0 0 0
- -4.3227 -2.3105 0.0000 H 0 0 0
- 3.6084 -0.2775 0.0000 H 0 0 0
- 4.2958 1.3805 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 2 0
- 4 10 2 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 11 14 1 0
- 13 15 1 0
- 13 16 2 0
- 13 17 2 0
- 7 11 1 0
- 8 12 1 0
- 3 18 1 0
- 5 19 1 0
- 8 20 1 0
- 12 21 1 0
- 15 22 1 0
- 15 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-583-39-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.6975 0.7160 -0.0029 C 0 0 0
- -0.6696 -0.6882 -0.0009 C 0 0 0
- 0.6252 1.1281 -0.0025 N 0 0 0
- -1.9124 1.3844 0.0002 C 0 0 0
- 0.6365 -1.0628 0.0007 N 0 0 0
- -1.8720 -1.4000 -0.0004 C 0 0 0
- 1.3998 0.0025 -0.0003 C 0 0 0
- -3.0909 0.6669 0.0053 C 0 0 0
- -3.0692 -0.7199 -0.0019 C 0 0 0
- 3.1617 -0.0142 0.0011 S 0 0 0
- 0.9649 2.1101 0.0000 H 0 0 0
- -1.9352 2.4232 0.0000 H 0 0 0
- -1.8627 -2.4390 0.0000 H 0 0 0
- -4.0007 1.1688 0.0000 H 0 0 0
- -3.9631 -1.2496 0.0000 H 0 0 0
- 4.2007 -0.0240 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 5 7 2 0
- 8 9 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-14-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 1.8061 -0.8596 0.4318 C 0 0 2
- 0.3544 -1.0147 0.3104 N 0 0 0
- 2.1238 0.5296 0.6665 O 0 0 0
- 2.4745 -1.1945 -0.9200 C 0 0 0
- -0.1936 -2.2409 0.3886 C 0 0 0
- -0.4324 0.0902 0.1241 C 0 0 0
- 3.4982 0.6813 0.2493 C 0 0 1
- 3.6133 -0.1575 -1.0428 C 0 0 1
- -1.5242 -2.4125 0.2800 N 0 0 0
- 0.5233 -3.2079 0.5594 O 0 0 0
- -1.7706 -0.0532 0.0122 C 0 0 0
- 3.7747 2.1516 -0.0709 C 0 0 0
- 4.8725 -0.8329 -1.0616 O 0 0 0
- -2.3334 -1.3507 0.0904 C 0 0 0
- -2.8782 1.4577 -0.2452 Br 0 0 0
- 3.5806 2.9399 1.1052 O 0 0 0
- -3.5373 -1.5054 -0.0083 O 0 0 0
- 1.6257 -1.8568 0.0000 H 0 0 0
- 1.9132 -2.0382 0.0000 H 0 0 0
- 3.2433 -1.8547 0.0000 H 0 0 0
- -0.0168 1.0144 0.0000 H 0 0 0
- 4.5112 0.6562 0.0000 H 0 0 0
- 4.4454 0.4209 0.0000 H 0 0 0
- -1.9148 -3.3476 0.0000 H 0 0 0
- 4.6295 1.6073 0.0000 H 0 0 0
- 4.5979 2.7425 0.0000 H 0 0 0
- 5.7655 -1.3119 0.0000 H 0 0 0
- 3.3383 3.9239 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 2 0
- 7 8 1 0
- 11 14 1 0
- 1 18 1 0
- 4 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 16 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-30-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 51 53 1 V2000
- -6.5004 -0.5672 -1.0205 C 0 0 0
- -5.7897 -0.2147 0.1404 C 0 0 0
- -5.8395 -0.8912 -2.1227 N 0 0 0
- -7.8788 -0.5591 -0.9761 N 0 0 0
- -4.4641 -0.2065 0.1322 N 0 0 0
- -6.5644 0.1403 1.3479 C 0 0 0
- -4.5191 -0.8796 -2.1194 C 0 0 0
- -8.5288 -0.2170 0.1671 C 0 0 0
- -3.8187 -0.5309 -0.9712 C 0 0 0
- -7.9023 0.1092 1.2780 N 0 0 0
- -6.0001 0.4535 2.3823 O 0 0 0
- -9.8952 -0.2222 0.1668 N 0 0 0
- -2.3118 -0.5230 -0.9868 C 0 0 0
- -1.8190 0.4839 -0.0437 N 0 0 0
- -0.4512 0.6759 0.1165 C 0 0 0
- 0.0155 1.6330 1.0130 C 0 0 0
- 0.4489 -0.0936 -0.6159 C 0 0 0
- 1.3688 1.8251 1.1742 C 0 0 0
- 1.8029 0.0936 -0.4592 C 0 0 0
- 2.2748 1.0579 0.4366 C 0 0 0
- 3.7259 1.2616 0.6065 C 0 0 0
- 4.5983 0.5210 -0.1055 N 0 0 0
- 4.1350 2.0976 1.3890 O 0 0 0
- 6.0395 0.7233 0.0634 C 0 0 1
- 6.7734 -0.5934 -0.1984 C 0 0 0
- 6.5178 1.7676 -0.9122 C 0 0 0
- 6.2877 -1.6536 0.7920 C 0 0 0
- 7.5639 2.5486 -0.6001 O 0 0 0
- 5.9597 1.9018 -1.9754 O 0 0 0
- 7.0106 -2.9505 0.5341 C 0 0 0
- 6.7440 -4.0288 1.2877 O 0 0 0
- 7.8301 -3.0197 -0.3510 O 0 0 0
- -8.0895 -1.4012 0.0000 H 0 0 0
- -4.3167 -1.7237 0.0000 H 0 0 0
- -10.3321 0.5279 0.0000 H 0 0 0
- -10.3264 -0.9756 0.0000 H 0 0 0
- -2.4400 -1.3815 0.0000 H 0 0 0
- -1.4830 -0.7809 0.0000 H 0 0 0
- -2.3287 1.1866 0.0000 H 0 0 0
- -0.4952 2.3349 0.0000 H 0 0 0
- 0.2049 -0.9266 0.0000 H 0 0 0
- 1.6094 2.6591 0.0000 H 0 0 0
- 2.3119 -0.6096 0.0000 H 0 0 0
- 4.3566 -0.3127 0.0000 H 0 0 0
- 6.9069 0.7576 0.0000 H 0 0 0
- 7.4694 -1.1121 0.0000 H 0 0 0
- 7.4263 -0.0214 0.0000 H 0 0 0
- 5.5917 -1.1349 0.0000 H 0 0 0
- 5.6348 -2.2256 0.0000 H 0 0 0
- 8.2595 3.0679 0.0000 H 0 0 0
- 6.5357 -4.8715 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 2 0
- 18 20 2 0
- 20 21 1 0
- 21 22 1 0
- 21 23 2 0
- 24 22 1 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 26 29 2 0
- 27 30 1 0
- 30 31 1 0
- 30 32 2 0
- 7 9 1 0
- 8 10 2 0
- 19 20 1 0
- 4 33 1 0
- 7 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 16 40 1 0
- 17 41 1 0
- 18 42 1 0
- 19 43 1 0
- 22 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
- 27 48 1 0
- 27 49 1 0
- 28 50 1 0
- 31 51 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-92-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 25 1 V2000
- -2.4681 0.7063 -0.1731 C 0 0 0
- -2.9349 -0.5626 0.1558 C 0 0 0
- -1.1345 0.8864 -0.5036 C 0 0 0
- -3.3199 1.7664 -0.1755 O 0 0 0
- -2.0642 -1.6405 0.1512 C 0 0 0
- -4.2427 -0.7444 0.4813 O 0 0 0
- -0.2711 -0.1932 -0.5062 C 0 0 0
- -0.7350 -1.4540 -0.1795 C 0 0 0
- 1.1787 0.0044 -0.8665 C 0 0 0
- 2.0183 0.0633 0.4113 C 0 0 1
- 3.4742 -0.1125 0.0642 C 0 0 0
- 1.8244 1.3644 1.0650 N 0 0 0
- 4.0134 -1.3413 0.0344 O 0 0 0
- 4.1561 0.8527 -0.1871 O 0 0 0
- -0.7595 1.8225 0.0000 H 0 0 0
- -3.9515 2.5525 0.0000 H 0 0 0
- -2.4345 -2.5785 0.0000 H 0 0 0
- -5.2415 -0.8832 0.0000 H 0 0 0
- -0.1018 -2.2389 0.0000 H 0 0 0
- 1.6007 0.9203 0.0000 H 0 0 0
- 0.5787 0.8149 0.0000 H 0 0 0
- 1.9930 -0.9448 0.0000 H 0 0 0
- 2.6139 1.9918 0.0000 H 0 0 0
- 0.8863 1.7344 0.0000 H 0 0 0
- 4.4186 -2.2647 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 5 8 2 0
- 7 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 7 8 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-613-92-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- 0.2863 0.0968 -0.0013 C 0 0 0
- -1.1820 0.2863 -0.0003 C 0 0 0
- 1.1352 1.2037 0.0000 C 0 0 0
- 0.8264 -1.1889 0.0023 C 0 0 0
- -1.9711 -0.7477 -0.0015 N 0 0 0
- -1.7152 1.5641 0.0019 N 0 0 0
- 2.5027 1.0207 -0.0005 C 0 0 0
- 2.1959 -1.3590 0.0019 C 0 0 0
- -3.3754 -0.5665 -0.0005 O 0 0 0
- 3.0325 -0.2575 -0.0022 C 0 0 0
- 0.7388 2.1631 0.0000 H 0 0 0
- 0.1995 -2.0163 0.0000 H 0 0 0
- -1.0854 2.3893 0.0000 H 0 0 0
- -2.7448 1.6969 0.0000 H 0 0 0
- 3.1354 1.8437 0.0000 H 0 0 0
- 2.5990 -2.3156 0.0000 H 0 0 0
- -4.4050 -0.4337 0.0000 H 0 0 0
- 4.0621 -0.3903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 10 2 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
- 9 17 1 0
- 10 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-616-91-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 19 18 1 V2000
- -0.2042 0.4440 -0.2003 C 0 0 2
- 0.3526 -0.7056 0.5171 N 0 0 0
- 0.6457 1.6602 0.0633 C 0 0 0
- -1.6318 0.7048 0.2842 C 0 0 0
- 1.2678 -1.4941 -0.0805 C 0 0 0
- 0.3239 2.8377 -0.4950 O 0 0 0
- 1.6169 1.5754 0.7771 O 0 0 0
- -2.6549 -0.7592 -0.0330 S 0 0 0
- 1.8405 -2.6766 0.6574 C 0 0 0
- 1.6305 -1.2518 -1.2122 O 0 0 0
- -0.7841 -0.3185 0.0000 H 0 0 0
- -0.4069 -1.2894 0.0000 H 0 0 0
- -1.3270 1.6130 0.0000 H 0 0 0
- -2.4873 1.1360 0.0000 H 0 0 0
- 0.0713 3.7618 0.0000 H 0 0 0
- -3.2037 -1.5445 0.0000 H 0 0 0
- 0.9783 -3.0942 0.0000 H 0 0 0
- 2.2581 -3.5388 0.0000 H 0 0 0
- 2.7027 -2.2590 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 1 11 1 0
- 2 12 1 0
- 4 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6219-89-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.7391 0.1501 -0.0008 C 0 0 0
- -0.7441 0.1730 -0.0011 C 0 0 0
- 1.4378 0.1402 -1.2072 C 0 0 0
- 1.4371 0.1442 1.2055 C 0 0 0
- -1.4608 -1.0230 0.0015 C 0 0 0
- -1.4233 1.3901 0.0017 C 0 0 0
- 2.8166 0.1188 -1.2036 C 0 0 0
- 2.8163 0.1228 1.2025 C 0 0 0
- -2.8390 -0.9994 0.0011 C 0 0 0
- -0.7291 -2.3405 0.0041 C 0 0 0
- -2.8020 1.4091 0.0014 C 0 0 0
- 3.5090 0.1072 -0.0002 C 0 0 0
- -3.5145 0.2158 -0.0018 C 0 0 0
- 4.8678 0.0862 0.0001 O 0 0 0
- -4.9104 0.2373 -0.0026 N 0 0 0
- 1.4532 1.1745 0.0000 H 0 0 0
- 1.4495 1.1785 0.0000 H 0 0 0
- -0.8935 2.2785 0.0000 H 0 0 0
- 2.8333 1.1530 0.0000 H 0 0 0
- 2.8360 1.1570 0.0000 H 0 0 0
- -3.3711 -1.8864 0.0000 H 0 0 0
- -1.6334 -2.8427 0.0000 H 0 0 0
- -0.2269 -3.2448 0.0000 H 0 0 0
- 0.1752 -1.8383 0.0000 H 0 0 0
- -3.3064 2.3122 0.0000 H 0 0 0
- 5.9021 0.0702 0.0000 H 0 0 0
- -5.4137 1.1410 0.0000 H 0 0 0
- -5.4413 -0.6504 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 9 13 1 0
- 12 14 1 0
- 13 15 1 0
- 8 12 2 0
- 11 13 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
- 11 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6285-57-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 19 1 V2000
- -0.5191 0.4438 -0.0041 C 0 0 0
- -0.9267 -0.9094 -0.0034 C 0 0 0
- 0.8006 0.8199 -0.0026 C 0 0 0
- -2.0719 1.3071 -0.0001 S 0 0 0
- 0.1078 -1.8731 -0.0004 C 0 0 0
- -2.2616 -1.1188 -0.0051 N 0 0 0
- 1.7869 -0.1497 -0.0002 C 0 0 0
- -3.1300 -0.1332 0.0023 C 0 0 0
- 1.4233 -1.4884 0.0015 C 0 0 0
- 3.2157 0.2372 0.0011 N 0 3 0
- -4.5087 -0.1944 0.0063 N 0 0 0
- 4.0792 -0.6219 0.0033 O 0 0 0
- 3.5279 1.4145 0.0001 O 0 5 0
- 1.0566 1.8240 0.0000 H 0 0 0
- -0.1312 -2.8813 0.0000 H 0 0 0
- 2.1630 -2.2140 0.0000 H 0 0 0
- -5.0661 0.6791 0.0000 H 0 0 0
- -4.9865 -1.1138 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 7 10 1 0
- 8 11 1 0
- 10 12 2 0
- 10 13 1 0
- 6 8 2 0
- 7 9 1 0
- 3 14 1 0
- 5 15 1 0
- 9 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-636-26-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.1359 0.7625 0.0017 C 0 0 0
- -1.6440 -0.5591 0.0004 C 0 0 0
- 0.1983 0.9582 0.0017 N 0 0 0
- -1.8966 1.7135 -0.0022 O 0 0 0
- -0.7785 -1.5958 -0.0009 C 0 0 0
- -3.1307 -0.8056 0.0008 C 0 0 0
- 1.0381 -0.0936 0.0004 C 0 0 0
- 0.5679 -1.3542 -0.0009 N 0 0 0
- 2.7287 0.1764 -0.0002 S 0 0 0
- 0.5699 1.9004 0.0000 H 0 0 0
- -1.1247 -2.5477 0.0000 H 0 0 0
- -3.2964 0.1936 0.0000 H 0 0 0
- -4.1299 -0.9713 0.0000 H 0 0 0
- -2.9650 -1.8048 0.0000 H 0 0 0
- 1.2170 -2.1317 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 2 0
- 7 8 1 0
- 3 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 8 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6379-69-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- 0.1576 2.1768 0.1634 C 0 0 0
- 0.0462 0.7406 0.7186 C 0 0 2
- 0.3272 1.9463 -1.3467 C 0 0 2
- -0.6390 3.3315 0.7345 C 0 0 0
- 0.7837 3.2262 0.8668 O 0 0 0
- 1.4461 0.1254 0.4855 C 0 0 0
- -0.8814 0.0481 -0.3176 C 0 0 2
- -0.4400 0.6608 2.1671 C 0 0 0
- -0.6675 0.7983 -1.6464 C 0 0 0
- 1.6534 1.4322 -1.5601 O 0 0 0
- 1.6886 0.1178 -1.0244 C 0 0 0
- 1.4637 -1.3203 0.9931 C 0 0 0
- 2.5154 0.9640 1.1884 C 0 0 0
- -2.2647 0.1894 0.1007 O 0 0 0
- 2.9562 -0.6000 -1.3623 C 0 0 0
- 2.8473 -1.8720 0.7095 C 0 0 0
- -3.1672 -0.7576 -0.2245 C 0 0 0
- 3.4853 -1.5234 -0.5637 C 0 0 0
- 3.4114 -2.5830 1.5147 O 0 0 0
- -4.5671 -0.6147 0.1988 C 0 0 0
- -2.8231 -1.7297 -0.8677 O 0 0 0
- 4.7572 -2.2202 -0.9734 C 0 0 0
- -5.4582 -1.5496 -0.1222 C 0 0 0
- -6.8938 -1.4030 0.3118 C 0 0 0
- 0.9465 2.7557 0.0000 H 0 0 0
- -0.7934 4.3389 0.0000 H 0 0 0
- -1.5862 2.9554 0.0000 H 0 0 0
- -0.6098 -0.9342 0.0000 H 0 0 0
- -0.6051 1.6665 0.0000 H 0 0 0
- -1.4457 0.4957 0.0000 H 0 0 0
- -0.2749 -0.3449 0.0000 H 0 0 0
- -1.1369 1.7030 0.0000 H 0 0 0
- -1.6816 0.6961 0.0000 H 0 0 0
- 1.4135 -0.8636 0.0000 H 0 0 0
- 0.4516 -1.2000 0.0000 H 0 0 0
- 1.2126 -2.3081 0.0000 H 0 0 0
- 3.1443 0.1620 0.0000 H 0 0 0
- 3.3174 1.5929 0.0000 H 0 0 0
- 1.8864 1.7660 0.0000 H 0 0 0
- 3.6750 0.1225 0.0000 H 0 0 0
- -4.9202 0.3414 0.0000 H 0 0 0
- 4.2675 -3.1140 0.0000 H 0 0 0
- 5.6510 -2.7099 0.0000 H 0 0 0
- 5.2469 -1.3264 0.0000 H 0 0 0
- -5.1051 -2.5057 0.0000 H 0 0 0
- -6.7903 -0.3891 0.0000 H 0 0 0
- -7.9077 -1.2995 0.0000 H 0 0 0
- -6.9973 -2.4169 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 11 15 1 0
- 12 16 1 0
- 14 17 1 0
- 15 18 2 0
- 16 19 2 0
- 17 20 1 0
- 17 21 2 0
- 18 22 1 0
- 20 23 2 0
- 23 24 1 0
- 4 5 1 0
- 7 9 1 0
- 10 11 1 0
- 16 18 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 13 39 1 0
- 15 40 1 0
- 20 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
- 24 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-67-97-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 74 1 V2000
- 1.0055 -1.6946 -0.1049 C 0 0 1
- -0.0720 -1.7390 1.0155 C 0 0 2
- 2.2816 -1.3653 0.6542 C 0 0 2
- 0.9372 -3.0068 -0.8503 C 0 0 0
- 0.6820 -0.5550 -1.0732 C 0 0 0
- -1.3894 -1.7493 0.2992 C 0 0 0
- 0.2672 -0.4729 1.8053 C 0 0 0
- 1.8206 -0.5119 1.8648 C 0 0 0
- 3.2039 -0.5306 -0.2365 C 0 0 1
- -0.3985 -3.0378 -1.6121 C 0 0 0
- -2.3167 -0.8122 0.4960 C 0 0 0
- -1.5923 -2.9067 -0.6684 C 0 0 0
- 4.3193 0.0798 0.6145 C 0 0 0
- 3.8171 -1.4251 -1.3157 C 0 0 0
- -3.5860 -0.8734 -0.2322 C 0 0 0
- 5.2416 0.9145 -0.2763 C 0 0 0
- -4.5244 0.0750 -0.0330 C 0 0 0
- 6.3571 1.5248 0.5747 C 0 0 0
- -4.7304 0.6945 1.2928 C 0 0 0
- -5.4141 0.5614 -1.1595 C 0 0 0
- 7.2794 2.3596 -0.3161 C 0 0 0
- -4.9303 2.1967 1.3210 C 0 0 0
- -4.7404 -0.0327 2.4098 C 0 0 0
- -5.4451 2.0927 -1.1233 C 0 0 2
- 8.3949 2.9699 0.5349 C 0 0 0
- 7.8927 1.4651 -1.3953 C 0 0 0
- -5.9474 2.5686 0.2372 C 0 0 0
- -6.3176 2.5758 -2.1467 O 0 0 0
- -0.0491 -2.6717 0.0000 H 0 0 0
- 2.7240 -2.1867 0.0000 H 0 0 0
- 0.9355 -3.9398 0.0000 H 0 0 0
- 1.8698 -3.0319 0.0000 H 0 0 0
- 1.5795 -0.3002 0.0000 H 0 0 0
- 0.4272 0.3425 0.0000 H 0 0 0
- -0.2155 -0.8098 0.0000 H 0 0 0
- 0.3640 0.4550 0.0000 H 0 0 0
- -0.6502 -0.3032 0.0000 H 0 0 0
- 2.7057 -0.2168 0.0000 H 0 0 0
- 1.6827 0.4108 0.0000 H 0 0 0
- 2.6632 0.2297 0.0000 H 0 0 0
- -0.9166 -3.8137 0.0000 H 0 0 0
- 0.0509 -3.8554 0.0000 H 0 0 0
- -1.9782 0.0572 0.0000 H 0 0 0
- -2.5145 -2.7653 0.0000 H 0 0 0
- -1.7140 -3.8317 0.0000 H 0 0 0
- 4.3710 -0.8517 0.0000 H 0 0 0
- 5.1823 -0.2748 0.0000 H 0 0 0
- 3.0476 -1.9526 0.0000 H 0 0 0
- 4.3446 -2.1946 0.0000 H 0 0 0
- 4.5866 -0.8976 0.0000 H 0 0 0
- -3.9245 -1.7428 0.0000 H 0 0 0
- 5.1900 1.8460 0.0000 H 0 0 0
- 4.3787 1.2692 0.0000 H 0 0 0
- 6.4087 0.5933 0.0000 H 0 0 0
- 7.2201 1.1702 0.0000 H 0 0 0
- -6.3361 0.7038 0.0000 H 0 0 0
- -5.7136 -0.3222 0.0000 H 0 0 0
- 6.7387 3.1199 0.0000 H 0 0 0
- -3.9977 2.1700 0.0000 H 0 0 0
- -4.7545 3.1130 0.0000 H 0 0 0
- -5.5547 -0.4880 0.0000 H 0 0 0
- -3.9389 -0.5103 0.0000 H 0 0 0
- -4.5918 2.4700 0.0000 H 0 0 0
- 8.8427 2.1514 0.0000 H 0 0 0
- 9.2134 3.4177 0.0000 H 0 0 0
- 7.9471 3.7884 0.0000 H 0 0 0
- 7.1232 0.9375 0.0000 H 0 0 0
- 8.4203 0.6956 0.0000 H 0 0 0
- 8.6622 1.9927 0.0000 H 0 0 0
- -5.9820 3.5009 0.0000 H 0 0 0
- -6.7975 2.1841 0.0000 H 0 0 0
- -7.1338 3.0277 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 2 0
- 6 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 16 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 19 23 2 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 22 27 1 0
- 24 28 1 0
- 7 8 1 0
- 10 12 1 0
- 24 27 1 0
- 2 29 1 0
- 3 30 1 0
- 4 31 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 5 35 1 0
- 7 36 1 0
- 7 37 1 0
- 8 38 1 0
- 8 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 11 43 1 0
- 12 44 1 0
- 12 45 1 0
- 13 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 14 50 1 0
- 15 51 1 0
- 16 52 1 0
- 16 53 1 0
- 18 54 1 0
- 18 55 1 0
- 20 56 1 0
- 20 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 24 63 1 0
- 25 64 1 0
- 25 65 1 0
- 25 66 1 0
- 26 67 1 0
- 26 68 1 0
- 26 69 1 0
- 27 70 1 0
- 27 71 1 0
- 28 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-673-06-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 1.0738 0.0511 0.4384 C 0 0 0
- -0.3747 -0.0110 0.8495 C 0 0 0
- 1.6176 1.2445 0.0006 C 0 0 0
- 1.8602 -1.0836 0.5044 C 0 0 0
- -1.2549 -0.1126 -0.3978 C 0 0 2
- 2.9460 1.3015 -0.3765 C 0 0 0
- 3.1891 -1.0266 0.1272 C 0 0 0
- -2.6846 0.1902 -0.0297 C 0 0 0
- -1.1685 -1.4716 -0.9487 N 0 0 0
- 3.7312 0.1651 -0.3160 C 0 0 0
- -3.1393 1.4519 -0.0860 O 0 0 0
- -3.4215 -0.7027 0.3161 O 0 0 0
- 0.0671 0.8880 0.0000 H 0 0 0
- -0.9522 0.8075 0.0000 H 0 0 0
- 1.0577 2.0752 0.0000 H 0 0 0
- 1.4146 -1.9808 0.0000 H 0 0 0
- -1.2079 0.8880 0.0000 H 0 0 0
- 3.3922 2.1984 0.0000 H 0 0 0
- 3.7492 -1.8571 0.0000 H 0 0 0
- -2.0025 -2.0265 0.0000 H 0 0 0
- -0.2710 -1.9164 0.0000 H 0 0 0
- 4.7290 0.2540 0.0000 H 0 0 0
- -3.4789 2.3943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 1 0
- 6 10 1 0
- 8 11 1 0
- 8 12 2 0
- 7 10 2 0
- 2 13 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-68-22-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- -1.4056 0.9065 -0.4364 C 0 0 2
- -2.1926 -0.3450 0.0370 C 0 0 1
- -0.0678 0.8879 0.2804 C 0 0 1
- -2.3568 2.0398 -0.0370 C 0 0 0
- -3.6146 -0.0638 -0.4379 C 0 0 2
- -1.5079 -1.5541 -0.5708 C 0 0 0
- -2.1609 -0.4345 1.5640 C 0 0 0
- 0.6946 -0.3566 -0.1976 C 0 0 2
- 0.7347 2.1386 -0.0896 C 0 0 0
- -3.7501 1.4794 -0.4335 C 0 0 0
- -4.5895 -0.6641 0.4874 C 0 0 0
- -3.8061 -0.5758 -1.7583 O 0 0 0
- -0.1017 -1.6356 0.0441 C 0 0 0
- 2.0334 -0.4504 0.5443 C 0 0 2
- 2.0534 2.1389 0.6870 C 0 0 0
- -5.3670 -1.1428 1.2253 C 0 0 0
- 2.7840 0.8385 0.4064 C 0 0 0
- 2.7961 -1.6660 0.0480 C 0 0 0
- 4.0710 0.9098 0.0683 C 0 0 0
- 4.2763 -1.5944 0.4209 C 0 0 0
- 4.8341 -0.3185 -0.1785 C 0 0 0
- 5.8583 -0.3135 -0.8289 O 0 0 0
- -0.9440 1.8788 0.0000 H 0 0 0
- -0.6003 -0.0474 0.0000 H 0 0 0
- -1.4643 2.6413 0.0000 H 0 0 0
- -2.8611 2.9906 0.0000 H 0 0 0
- -2.5281 -1.8970 0.0000 H 0 0 0
- -1.3650 -2.6209 0.0000 H 0 0 0
- -3.1754 -0.7938 0.0000 H 0 0 0
- -1.8016 -1.4490 0.0000 H 0 0 0
- -1.1464 -0.0752 0.0000 H 0 0 0
- 1.2531 0.5635 0.0000 H 0 0 0
- 0.9380 3.1955 0.0000 H 0 0 0
- -0.2647 2.5381 0.0000 H 0 0 0
- -4.0518 2.5125 0.0000 H 0 0 0
- -4.8079 1.2805 0.0000 H 0 0 0
- -4.1831 -1.5839 0.0000 H 0 0 0
- -0.3410 -2.6850 0.0000 H 0 0 0
- 0.8936 -2.0453 0.0000 H 0 0 0
- 1.4799 -1.3734 0.0000 H 0 0 0
- 3.0676 2.4992 0.0000 H 0 0 0
- 1.8705 3.1995 0.0000 H 0 0 0
- -6.2835 -1.7071 0.0000 H 0 0 0
- 1.8005 -2.0749 0.0000 H 0 0 0
- 3.0299 -2.7166 0.0000 H 0 0 0
- 4.5678 1.8646 0.0000 H 0 0 0
- 4.1633 -2.6647 0.0000 H 0 0 0
- 5.3168 -1.8697 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 3 0
- 14 17 1 0
- 14 18 1 0
- 17 19 2 0
- 18 20 1 0
- 19 21 1 0
- 21 22 2 0
- 5 10 1 0
- 8 13 1 0
- 15 17 1 0
- 20 21 1 0
- 1 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-68-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 51 1 V2000
- -1.5635 0.8775 -0.3935 C 0 0 2
- -2.1305 -0.3065 0.4389 C 0 0 1
- -0.0933 0.9762 -0.0407 C 0 0 1
- -2.4452 2.0367 0.0836 C 0 0 0
- -3.6394 -0.1287 0.3182 C 0 0 1
- -1.5489 -1.5879 -0.1199 C 0 0 0
- -1.7087 -0.1565 1.9019 C 0 0 0
- 0.5760 -0.3045 -0.5454 C 0 0 2
- 0.5843 2.1436 -0.7629 C 0 0 0
- -3.8586 1.3954 0.1459 C 0 0 0
- -4.1461 -0.8533 -0.8587 C 0 0 0
- -4.2893 -0.5937 1.5029 O 0 0 0
- -0.0246 -1.5445 0.1015 C 0 0 0
- 2.0729 -0.2498 -0.3419 C 0 0 0
- 2.0162 2.2266 -0.2492 C 0 0 0
- -4.5502 -1.4312 -1.7973 C 0 0 0
- 2.7099 0.8795 -0.2480 C 0 0 0
- 2.7362 -1.6055 -0.2356 C 0 0 0
- 4.2180 0.9680 -0.1045 C 0 0 0
- 4.2151 -1.5488 -0.6001 C 0 0 0
- 4.8074 -0.3879 0.1772 C 0 0 0
- 5.7003 -0.5429 0.9754 O 0 0 0
- -1.1149 1.8641 0.0000 H 0 0 0
- -0.6653 1.8968 0.0000 H 0 0 0
- -1.5360 2.6265 0.0000 H 0 0 0
- -2.9655 2.9874 0.0000 H 0 0 0
- -2.5863 -1.9015 0.0000 H 0 0 0
- -1.3752 -2.6577 0.0000 H 0 0 0
- -1.3456 -1.1776 0.0000 H 0 0 0
- -0.6876 0.2066 0.0000 H 0 0 0
- -2.0718 0.8646 0.0000 H 0 0 0
- -0.5077 -0.3210 0.0000 H 0 0 0
- 0.7320 3.2173 0.0000 H 0 0 0
- -0.4405 2.4961 0.0000 H 0 0 0
- -4.2114 2.4201 0.0000 H 0 0 0
- -4.9120 1.1407 0.0000 H 0 0 0
- -5.1707 -1.2243 0.0000 H 0 0 0
- -0.1666 -2.6189 0.0000 H 0 0 0
- 1.0136 -1.8557 0.0000 H 0 0 0
- 3.0393 2.5843 0.0000 H 0 0 0
- 1.8040 3.2894 0.0000 H 0 0 0
- -5.1713 -2.3194 0.0000 H 0 0 0
- 1.7061 -1.9424 0.0000 H 0 0 0
- 2.9273 -2.6723 0.0000 H 0 0 0
- 5.2556 1.2809 0.0000 H 0 0 0
- 4.0285 2.0351 0.0000 H 0 0 0
- 4.0728 -2.6232 0.0000 H 0 0 0
- 5.2499 -1.8709 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 8 14 1 0
- 9 15 1 0
- 11 16 3 0
- 14 17 2 0
- 14 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 21 22 2 0
- 5 10 1 0
- 8 13 1 0
- 15 17 1 0
- 20 21 1 0
- 1 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 10 36 1 0
- 12 37 1 0
- 13 38 1 0
- 13 39 1 0
- 15 40 1 0
- 15 41 1 0
- 16 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
- 19 46 1 0
- 20 47 1 0
- 20 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-70-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 32 1 V2000
- 1.4539 -0.5400 0.5974 C 0 0 2
- 0.1818 0.1186 0.2905 N 0 0 0
- 2.5313 0.4144 0.4773 O 0 0 0
- 1.7524 -1.6094 -0.4767 C 0 0 0
- -0.9823 -0.5988 0.3414 C 0 0 0
- 0.1685 1.4243 -0.0334 C 0 0 0
- 3.7196 -0.3782 0.2636 C 0 0 1
- 3.2772 -1.5005 -0.7013 C 0 0 1
- -2.1548 0.0083 0.0585 C 0 0 0
- -0.9859 2.0543 -0.3199 N 0 0 0
- 1.2140 2.0441 -0.0674 O 0 0 0
- 4.7912 0.4810 -0.4106 C 0 0 0
- 3.9032 -2.7281 -0.3230 O 0 0 0
- -2.1539 1.3813 -0.2865 C 0 0 0
- -3.4469 -0.7656 0.1088 C 0 0 0
- 5.1359 1.5715 0.4462 O 0 0 0
- -3.1988 1.9504 -0.5460 O 0 0 0
- -4.4924 0.0950 0.4604 F 0 0 0
- -3.7052 -1.3242 -1.1475 F 0 0 0
- -3.3427 -1.7858 1.0604 F 0 0 0
- 0.6694 -1.1778 0.0000 H 0 0 0
- 0.7626 -1.8154 0.0000 H 0 0 0
- 1.8917 -2.6108 0.0000 H 0 0 0
- -0.9446 -1.6091 0.0000 H 0 0 0
- 4.5334 -0.9781 0.0000 H 0 0 0
- 4.2870 -1.4520 0.0000 H 0 0 0
- -0.9976 3.0652 0.0000 H 0 0 0
- 5.1365 -0.4692 0.0000 H 0 0 0
- 5.8020 0.5024 0.0000 H 0 0 0
- 4.3625 -3.6288 0.0000 H 0 0 0
- 5.4406 2.5355 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 15 19 1 0
- 15 20 1 0
- 7 8 1 0
- 10 14 1 0
- 1 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 7 25 1 0
- 8 26 1 0
- 10 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70-25-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- -0.1514 -0.2119 0.0905 C 0 0 0
- -1.4482 0.2631 -0.0279 N 0 0 0
- 0.9115 0.6455 -0.0658 N 0 0 0
- 0.0595 -1.4676 0.3548 N 0 0 0
- -2.4457 -0.5416 0.1187 N 0 0 0
- -1.6859 1.6789 -0.3197 C 0 0 0
- 2.2206 0.1463 -0.0621 N 0 3 0
- -3.5852 -0.1242 0.0146 O 0 0 0
- 2.4817 -0.8827 -0.6591 O 0 0 0
- 3.0975 0.7414 0.5382 O 0 5 0
- 0.7610 1.5949 0.0000 H 0 0 0
- 0.2187 -2.4155 0.0000 H 0 0 0
- -0.7380 1.8381 0.0000 H 0 0 0
- -1.8451 2.6268 0.0000 H 0 0 0
- -2.6338 1.5197 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 5 8 2 0
- 7 9 2 0
- 7 10 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-700-02-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 17 1 V2000
- -0.6048 0.5284 -0.0021 C 0 0 0
- -1.0618 -0.8084 -0.0016 C 0 0 0
- 0.7809 0.7607 -0.0009 C 0 0 0
- -1.7014 1.3042 0.0016 N 0 0 0
- -0.1291 -1.8186 0.0000 N 0 0 0
- -2.3857 -0.7534 -0.0025 N 0 0 0
- 1.6163 -0.2828 0.0007 N 0 3 0
- 1.2711 2.0443 -0.0018 N 0 0 0
- -2.7592 0.5209 0.0041 C 0 0 0
- 1.1821 -1.5170 0.0011 C 0 0 0
- 3.0122 -0.0454 0.0014 O 0 5 0
- -0.4267 -2.7820 0.0000 H 0 0 0
- 2.2667 2.2037 0.0000 H 0 0 0
- 0.6352 2.8268 0.0000 H 0 0 0
- -3.7150 0.8420 0.0000 H 0 0 0
- 1.8540 -2.2688 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 7 11 1 0
- 6 9 1 0
- 7 10 2 0
- 5 12 1 0
- 8 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-7059-24-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-165172 1 V2000
- 0.2227 3.1504 0.6314 C 0 0 0
- -0.1231 2.7865 -0.6857 C 0 0 0
- 1.5031 3.8176 0.8978 C 0 0 0
- -0.6458 2.8881 1.6961 C 0 0 0
- 0.8055 3.0532 -1.8410 C 0 0 0
- -1.3129 2.1781 -0.9351 C 0 0 0
- 2.5272 3.8490 -0.2169 C 0 0 2
- 1.7327 4.3272 1.9752 O 0 0 0
- -1.8767 2.2583 1.4429 C 0 0 0
- -0.3039 3.2372 2.9584 O 0 0 0
- 1.7817 4.1802 -1.5163 C 0 0 2
- -2.2109 1.8972 0.1137 C 0 0 0
- 3.1424 2.5646 -0.3349 O 0 0 0
- -2.7778 1.9764 2.4900 C 0 0 0
- 1.0093 5.4893 -1.3416 C 0 0 2
- -3.4379 1.2688 -0.1405 C 0 0 0
- 4.2829 2.5723 0.5260 C 0 0 0
- -3.9766 1.3606 2.2095 C 0 0 0
- -2.4648 2.3100 3.7677 O 0 0 0
- 0.3227 5.8439 -2.6353 C 0 0 0
- 1.9165 6.5333 -0.9821 O 0 0 0
- -4.3018 1.0016 0.9005 C 0 0 0
- 4.9912 1.2180 0.4464 C 0 0 0
- 5.1759 3.6089 0.1230 O 0 0 0
- -4.9404 1.0586 3.3279 C 0 0 0
- -0.8393 6.8036 -2.6333 C 0 0 2
- 0.7035 5.3590 -3.6737 O 0 0 0
- 1.4266 7.1064 0.2318 C 0 0 0
- -5.4892 0.3932 0.6473 O 0 0 0
- 6.1909 1.2250 1.4006 C 0 0 1
- 6.2022 3.7019 1.1090 C 0 0 1
- -0.3334 8.2175 -2.9262 C 0 0 2
- -1.4740 6.7804 -1.3533 O 0 0 0
- -5.2070 -0.9918 0.4370 C 0 0 0
- 6.9503 0.0281 1.2198 O 0 0 0
- 7.0676 2.4401 1.0771 C 0 0 1
- 7.0746 4.9259 0.8231 C 0 0 0
- -1.1929 8.8498 -4.0227 C 0 0 0
- 1.0260 8.1562 -3.3625 O 0 0 0
- -6.4466 -1.8223 0.7772 C 0 0 0
- -4.8444 -1.2014 -0.9265 O 0 0 0
- 7.0739 -0.5810 2.5066 C 0 0 0
- 8.1069 2.5505 2.0517 O 0 0 0
- -7.6107 -1.3690 -0.1111 C 0 0 1
- -5.8699 -0.6323 -1.7382 C 0 0 2
- 6.8163 -2.0847 2.3861 C 0 0 0
- 8.3871 -0.3550 3.0153 O 0 0 0
- -7.1637 -1.4334 -1.5760 C 0 0 1
- -8.7267 -2.2397 0.0851 O 0 0 0
- -5.4337 -0.6595 -3.2044 C 0 0 0
- 7.8284 -2.6878 1.4054 C 0 0 2
- 9.3150 -0.7816 2.0196 C 0 0 2
- -6.9266 -2.8165 -1.9493 O 0 0 0
- -9.9009 -1.4282 0.0156 C 0 0 0
- 7.7008 -4.1110 1.4044 O 0 0 0
- 9.2408 -2.3018 1.8592 C 0 0 2
- 10.7314 -0.3814 2.4375 C 0 0 0
- -7.8380 -3.4809 -2.6771 C 0 0 0
- -11.0899 -2.2877 -0.4199 C 0 0 0
- -10.1608 -0.8575 1.2967 O 0 0 0
- 7.4653 -4.5036 0.0507 C 0 0 0
- 10.1888 -2.7239 0.8768 O 0 0 0
- -7.5732 -4.9028 -3.1003 C 0 0 0
- -8.8707 -2.9390 -2.9928 O 0 0 0
- -11.2804 -3.4251 0.5899 C 0 0 1
- -10.1797 -1.9209 2.2471 C 0 0 2
- 7.7837 -5.9917 -0.1116 C 0 0 0
- 6.0999 -4.2624 -0.2837 O 0 0 0
- -11.3915 -2.8207 1.9942 C 0 0 1
- -12.4794 -4.1392 0.2824 O 0 0 0
- -10.2616 -1.3404 3.6603 C 0 0 0
- 7.5628 -6.3930 -1.5744 C 0 0 2
- 5.9512 -4.4927 -1.6834 C 0 0 2
- -12.5881 -2.0449 2.0854 O 0 0 0
- 6.1456 -5.9799 -1.9876 C 0 0 2
- 7.7190 -7.9080 -1.7204 C 0 0 0
- 8.5173 -5.7273 -2.4037 O 0 0 0
- 6.9938 -3.6751 -2.4484 C 0 0 0
- -13.3847 -2.6340 3.1152 C 0 0 0
- 5.1764 -6.7582 -1.2371 O 0 0 0
- 3.9820 -7.0449 -1.7784 C 0 0 0
- 2.9762 -7.8527 -0.9994 C 0 0 0
- 3.7134 -6.6553 -2.8901 O 0 0 0
- 0.7578 2.1277 0.0000 H 0 0 0
- 1.6652 2.7072 0.0000 H 0 0 0
- -0.9623 1.3202 0.0000 H 0 0 0
- 3.1731 4.5136 0.0000 H 0 0 0
- 0.3446 3.8993 0.0000 H 0 0 0
- 2.3983 4.8721 0.0000 H 0 0 0
- 0.3727 4.8158 0.0000 H 0 0 0
- -3.0884 0.4105 0.0000 H 0 0 0
- 3.8939 3.4134 0.0000 H 0 0 0
- -1.8307 2.9858 0.0000 H 0 0 0
- 4.1124 0.9237 0.0000 H 0 0 0
- 5.1430 0.3038 0.0000 H 0 0 0
- -5.2175 1.9430 0.0000 H 0 0 0
- -5.8248 0.7815 0.0000 H 0 0 0
- -4.6633 0.1742 0.0000 H 0 0 0
- -1.1369 5.9259 0.0000 H 0 0 0
- 2.1311 7.7086 0.0000 H 0 0 0
- 0.8244 7.8109 0.0000 H 0 0 0
- 0.7221 6.5042 0.0000 H 0 0 0
- 5.7664 2.0488 0.0000 H 0 0 0
- 5.7409 4.5057 0.0000 H 0 0 0
- -0.0246 9.0913 0.0000 H 0 0 0
- -2.4001 6.7465 0.0000 H 0 0 0
- -4.4548 -0.4504 0.0000 H 0 0 0
- 7.5327 1.6385 0.0000 H 0 0 0
- 7.8293 4.3880 0.0000 H 0 0 0
- 7.6125 5.6806 0.0000 H 0 0 0
- 6.3199 5.4638 0.0000 H 0 0 0
- -0.6437 9.5963 0.0000 H 0 0 0
- -1.9394 9.3990 0.0000 H 0 0 0
- -1.7421 8.1033 0.0000 H 0 0 0
- 1.9518 8.1145 0.0000 H 0 0 0
- -6.9501 -2.6003 0.0000 H 0 0 0
- -5.7861 -2.4724 0.0000 H 0 0 0
- 6.1473 -0.5952 0.0000 H 0 0 0
- 9.0285 2.6484 0.0000 H 0 0 0
- -7.8487 -0.4733 0.0000 H 0 0 0
- -6.0956 0.2665 0.0000 H 0 0 0
- 5.9288 -1.8177 0.0000 H 0 0 0
- 6.4428 -2.9329 0.0000 H 0 0 0
- -7.3530 -0.5262 0.0000 H 0 0 0
- -5.4914 -1.5845 0.0000 H 0 0 0
- -4.5087 -0.7172 0.0000 H 0 0 0
- -5.3760 0.2655 0.0000 H 0 0 0
- 7.9534 -1.7695 0.0000 H 0 0 0
- 9.3870 0.1424 0.0000 H 0 0 0
- -9.1901 -0.8335 0.0000 H 0 0 0
- 9.1704 -3.2259 0.0000 H 0 0 0
- 10.9834 -1.2732 0.0000 H 0 0 0
- 11.6232 -0.1294 0.0000 H 0 0 0
- 10.4794 0.5104 0.0000 H 0 0 0
- -11.4181 -1.4210 0.0000 H 0 0 0
- -12.0122 -2.3784 0.0000 H 0 0 0
- 8.3795 -4.6556 0.0000 H 0 0 0
- 11.0354 -3.1009 0.0000 H 0 0 0
- -8.4843 -5.0725 0.0000 H 0 0 0
- -7.4035 -5.8139 0.0000 H 0 0 0
- -6.6621 -4.7331 0.0000 H 0 0 0
- -10.5154 -3.9482 0.0000 H 0 0 0
- -9.3555 -2.3447 0.0000 H 0 0 0
- 8.4368 -6.6492 0.0000 H 0 0 0
- 8.5986 -5.5503 0.0000 H 0 0 0
- -12.1623 -3.3353 0.0000 H 0 0 0
- -13.2756 -4.6134 0.0000 H 0 0 0
- -9.3439 -1.2109 0.0000 H 0 0 0
- -10.3911 -0.4227 0.0000 H 0 0 0
- -11.1793 -1.4699 0.0000 H 0 0 0
- 5.0471 -4.2889 0.0000 H 0 0 0
- 6.3265 -6.8888 0.0000 H 0 0 0
- 6.7971 -8.0030 0.0000 H 0 0 0
- 7.8140 -8.8299 0.0000 H 0 0 0
- 8.6409 -7.8130 0.0000 H 0 0 0
- 9.2774 -5.1972 0.0000 H 0 0 0
- 7.5657 -4.4044 0.0000 H 0 0 0
- 7.7231 -3.1032 0.0000 H 0 0 0
- 6.4219 -2.9458 0.0000 H 0 0 0
- -13.9357 -1.8889 0.0000 H 0 0 0
- -14.1298 -3.1850 0.0000 H 0 0 0
- -12.8337 -3.3791 0.0000 H 0 0 0
- 2.3959 -7.1301 0.0000 H 0 0 0
- 2.2536 -8.4330 0.0000 H 0 0 0
- 3.5565 -8.5753 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 2 0
- 14 19 1 0
- 15 20 1 0
- 15 21 1 0
- 16 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 20 26 1 0
- 20 27 2 0
- 21 28 1 0
- 22 29 1 0
- 23 30 1 0
- 24 31 1 0
- 26 32 1 0
- 26 33 1 0
- 29 34 1 0
- 30 35 1 0
- 30 36 1 0
- 31 37 1 0
- 32 38 1 0
- 32 39 1 0
- 34 40 1 0
- 34 41 1 0
- 35 42 1 0
- 36 43 1 0
- 40 44 1 0
- 41 45 1 0
- 42 46 1 0
- 42 47 1 0
- 44 48 1 0
- 44 49 1 0
- 45 50 1 0
- 46 51 1 0
- 47 52 1 0
- 48 53 1 0
- 49 54 1 0
- 51 55 1 0
- 51 56 1 0
- 52 57 1 0
- 53 58 1 0
- 54 59 1 0
- 54 60 1 0
- 55 61 1 0
- 56 62 1 0
- 58 63 1 0
- 58 64 2 0
- 59 65 1 0
- 60 66 1 0
- 61 67 1 0
- 61 68 1 0
- 65 69 1 0
- 65 70 1 0
- 66 71 1 0
- 67 72 1 0
- 68 73 1 0
- 69 74 1 0
- 72 75 1 0
- 72 76 1 0
- 72 77 1 0
- 73 78 1 0
- 74 79 1 0
- 75 80 1 0
- 80 81 1 0
- 81 82 1 0
- 81 83 2 0
- 7 11 1 0
- 9 12 1 0
- 18 22 1 0
- 31 36 1 0
- 45 48 1 0
- 52 56 1 0
- 66 69 1 0
- 73 75 1 0
- 5 84 1 0
- 5 85 1 0
- 6 86 1 0
- 7 87 1 0
- 10 88 1 0
- 11 89 1 0
- 15 90 1 0
- 16 91 1 0
- 17 92 1 0
- 19 93 1 0
- 23 94 1 0
- 23 95 1 0
- 25 96 1 0
- 25 97 1 0
- 25 98 1 0
- 26 99 1 0
- 28100 1 0
- 28101 1 0
- 28102 1 0
- 30103 1 0
- 31104 1 0
- 32105 1 0
- 33106 1 0
- 34107 1 0
- 36108 1 0
- 37109 1 0
- 37110 1 0
- 37111 1 0
- 38112 1 0
- 38113 1 0
- 38114 1 0
- 39115 1 0
- 40116 1 0
- 40117 1 0
- 42118 1 0
- 43119 1 0
- 44120 1 0
- 45121 1 0
- 46122 1 0
- 46123 1 0
- 48124 1 0
- 50125 1 0
- 50126 1 0
- 50127 1 0
- 51128 1 0
- 52129 1 0
- 54130 1 0
- 56131 1 0
- 57132 1 0
- 57133 1 0
- 57134 1 0
- 59135 1 0
- 59136 1 0
- 61137 1 0
- 62138 1 0
- 63139 1 0
- 63140 1 0
- 63141 1 0
- 65142 1 0
- 66143 1 0
- 67144 1 0
- 67145 1 0
- 69146 1 0
- 70147 1 0
- 71148 1 0
- 71149 1 0
- 71150 1 0
- 73151 1 0
- 75152 1 0
- 76153 1 0
- 76154 1 0
- 76155 1 0
- 77156 1 0
- 78157 1 0
- 78158 1 0
- 78159 1 0
- 79160 1 0
- 79161 1 0
- 79162 1 0
- 82163 1 0
- 82164 1 0
- 82165 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71-58-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 65 1 V2000
- 2.9185 0.1438 -0.0564 C 0 0 1
- 1.4765 -0.0763 -0.5020 C 0 0 2
- 2.9494 1.5733 0.5398 C 0 0 0
- 3.2870 -0.8311 0.9546 O 0 0 0
- 3.8500 0.0504 -1.2374 C 0 0 0
- 0.6616 0.8072 0.4809 C 0 0 1
- 0.9419 -1.4897 -0.3752 C 0 0 0
- 1.2906 0.4292 -1.9341 C 0 0 0
- 1.4880 2.0976 0.4960 C 0 0 0
- 4.5175 -0.8098 1.4905 C 0 0 0
- 4.4786 -1.2708 -1.5986 C 0 0 0
- 4.0927 1.0342 -1.8942 O 0 0 0
- -0.7384 0.9293 -0.0915 C 0 0 1
- -0.5142 -1.4717 -0.8671 C 0 0 0
- 4.9448 -1.8993 2.4400 C 0 0 0
- 5.2826 0.0828 1.2116 O 0 0 0
- -1.3620 -0.4767 -0.0804 C 0 0 2
- -1.5753 1.8769 0.7679 C 0 0 0
- -2.7598 -0.3970 -0.6956 C 0 0 2
- -2.9793 2.0213 0.1695 C 0 0 1
- -3.5694 0.6274 0.0364 C 0 0 0
- -3.3975 -1.7593 -0.8196 C 0 0 0
- -2.5793 0.1231 -2.1231 C 0 0 0
- -3.8510 2.8564 1.1095 C 0 0 0
- -4.7477 0.3757 0.6004 C 0 0 0
- -4.2703 -2.1037 0.3868 C 0 0 0
- -5.2876 -0.9901 0.5492 C 0 0 0
- -6.4771 -1.2140 0.6324 O 0 0 0
- 3.9216 1.4470 0.0000 H 0 0 0
- 3.1794 2.5263 0.0000 H 0 0 0
- 0.2295 -0.0729 0.0000 H 0 0 0
- 0.8160 -2.4620 0.0000 H 0 0 0
- 1.8930 -1.7277 0.0000 H 0 0 0
- 2.2108 0.7676 0.0000 H 0 0 0
- 0.9522 1.3494 0.0000 H 0 0 0
- 0.3704 0.0908 0.0000 H 0 0 0
- 1.8873 2.9930 0.0000 H 0 0 0
- 0.6251 2.5629 0.0000 H 0 0 0
- 3.5933 -1.6920 0.0000 H 0 0 0
- 4.8998 -2.1561 0.0000 H 0 0 0
- 5.3639 -0.8496 0.0000 H 0 0 0
- -0.2969 1.8046 0.0000 H 0 0 0
- -1.3899 -1.9125 0.0000 H 0 0 0
- -0.2936 -2.4270 0.0000 H 0 0 0
- 4.0321 -2.2573 0.0000 H 0 0 0
- 5.3028 -2.8120 0.0000 H 0 0 0
- 5.8575 -1.5413 0.0000 H 0 0 0
- -1.7982 -1.3547 0.0000 H 0 0 0
- -0.6917 2.3017 0.0000 H 0 0 0
- -1.7439 2.8427 0.0000 H 0 0 0
- -2.5677 2.9111 0.0000 H 0 0 0
- -3.2951 -2.7343 0.0000 H 0 0 0
- -2.4307 -1.9219 0.0000 H 0 0 0
- -1.6531 -0.1983 0.0000 H 0 0 0
- -2.2579 1.0493 0.0000 H 0 0 0
- -3.5055 0.4445 0.0000 H 0 0 0
- -3.1728 3.5644 0.0000 H 0 0 0
- -4.5590 3.5346 0.0000 H 0 0 0
- -4.5292 2.1484 0.0000 H 0 0 0
- -5.3811 1.1240 0.0000 H 0 0 0
- -5.0689 -2.6724 0.0000 H 0 0 0
- -3.8026 -2.9654 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 10 16 2 0
- 13 17 1 0
- 13 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 19 22 1 0
- 19 23 1 0
- 20 24 1 0
- 21 25 2 0
- 22 26 1 0
- 25 27 1 0
- 27 28 2 0
- 6 9 1 0
- 14 17 1 0
- 20 21 1 0
- 26 27 1 0
- 3 29 1 0
- 3 30 1 0
- 6 31 1 0
- 7 32 1 0
- 7 33 1 0
- 8 34 1 0
- 8 35 1 0
- 8 36 1 0
- 9 37 1 0
- 9 38 1 0
- 11 39 1 0
- 11 40 1 0
- 11 41 1 0
- 13 42 1 0
- 14 43 1 0
- 14 44 1 0
- 15 45 1 0
- 15 46 1 0
- 15 47 1 0
- 17 48 1 0
- 18 49 1 0
- 18 50 1 0
- 20 51 1 0
- 22 52 1 0
- 22 53 1 0
- 23 54 1 0
- 23 55 1 0
- 23 56 1 0
- 24 57 1 0
- 24 58 1 0
- 24 59 1 0
- 25 60 1 0
- 26 61 1 0
- 26 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-73-03-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.1083 -0.2270 0.0142 N 0 0 0
- -1.3742 0.2221 -0.2653 C 0 0 0
- 1.1457 0.4570 -0.3110 C 0 0 2
- -0.2316 -1.4236 0.6553 C 0 0 0
- -2.2509 -0.7575 0.2301 C 0 0 0
- -1.8781 1.3007 -0.8565 N 0 0 0
- 2.1952 -0.5196 -0.4867 O 0 0 0
- 1.5965 1.3078 0.8970 C 0 0 1
- -1.4895 -1.7315 0.7839 N 0 0 0
- -3.6325 -0.5503 0.0761 C 0 0 0
- -3.1798 1.4526 -0.9781 C 0 0 0
- 3.4270 0.2025 -0.2697 C 0 0 1
- 3.1318 1.1366 0.9248 C 0 0 0
- 1.2745 2.6797 0.6599 O 0 0 0
- -4.0428 0.5593 -0.5291 N 0 0 0
- -4.5444 -1.4800 0.5443 N 0 0 0
- 4.5341 -0.7815 0.1139 C 0 0 0
- 4.7164 -1.7282 -0.9409 O 0 0 0
- 0.4487 1.1456 0.0000 H 0 0 0
- 0.5071 -2.0672 0.0000 H 0 0 0
- 0.6248 1.4332 0.0000 H 0 0 0
- -3.5095 2.3752 0.0000 H 0 0 0
- 4.2492 0.7355 0.0000 H 0 0 0
- 4.0980 1.2995 0.0000 H 0 0 0
- 3.1044 2.1160 0.0000 H 0 0 0
- 1.0506 3.6336 0.0000 H 0 0 0
- -5.4932 -1.2356 0.0000 H 0 0 0
- -4.2817 -2.4239 0.0000 H 0 0 0
- 5.5074 -0.8943 0.0000 H 0 0 0
- 4.9345 0.1128 0.0000 H 0 0 0
- 4.9017 -2.6903 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 17 18 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 19 1 0
- 4 20 1 0
- 8 21 1 0
- 11 22 1 0
- 12 23 1 0
- 13 24 1 0
- 13 25 1 0
- 14 26 1 0
- 16 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-77-06-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 51 1 V2000
- 0.7181 -0.9171 0.7656 C 0 0 2
- -0.6826 -0.5610 1.1628 C 0 0 1
- 1.2888 0.4902 0.3361 C 0 0 2
- 0.7859 -1.7018 -0.4576 O 0 0 0
- 1.6720 -1.4620 1.7706 C 0 0 0
- -1.1305 0.3813 0.0308 C 0 0 1
- -1.6496 -1.6133 1.5481 C 0 0 0
- 0.1205 1.1026 -0.4573 C 0 0 1
- 2.4167 -0.0405 -0.5762 C 0 0 2
- 1.7930 -1.2602 -1.2311 C 0 0 0
- 2.9548 -1.2717 1.5596 C 0 0 0
- -1.7469 -0.4678 -1.1028 C 0 0 0
- -2.2791 1.2473 0.5293 C 0 0 0
- -2.7308 -1.9872 0.5600 C 0 0 0
- 0.0109 2.5711 -0.1369 C 0 0 0
- 3.5183 -0.5243 0.3862 C 0 0 2
- 2.9180 1.0022 -1.5774 C 0 0 0
- 2.1443 -1.7534 -2.2766 O 0 0 0
- -3.0825 -0.8664 -0.4136 C 0 0 1
- -3.5190 0.3814 0.3309 C 0 0 0
- -0.2359 3.4551 -1.1163 O 0 0 0
- 0.1451 2.9527 1.0016 O 0 0 0
- 4.2699 0.5980 0.8527 O 0 0 0
- -4.0640 -1.2739 -1.3689 O 0 0 0
- -4.7348 0.6629 0.7292 C 0 0 0
- -0.0889 0.1612 0.0000 H 0 0 0
- 1.7049 1.3274 0.0000 H 0 0 0
- 1.4992 -2.3808 0.0000 H 0 0 0
- -1.6737 -2.5479 0.0000 H 0 0 0
- -0.7830 -1.9639 0.0000 H 0 0 0
- 0.1393 0.1679 0.0000 H 0 0 0
- 3.4323 -2.0755 0.0000 H 0 0 0
- -1.7618 -1.4026 0.0000 H 0 0 0
- -0.8600 -0.7636 0.0000 H 0 0 0
- -1.6411 1.9307 0.0000 H 0 0 0
- -2.8918 1.9534 0.0000 H 0 0 0
- -3.6201 -2.2757 0.0000 H 0 0 0
- -2.4338 -2.8736 0.0000 H 0 0 0
- 4.2802 -1.0660 0.0000 H 0 0 0
- 3.7606 0.5971 0.0000 H 0 0 0
- 3.3231 1.8448 0.0000 H 0 0 0
- 2.0754 1.4073 0.0000 H 0 0 0
- -0.4873 4.3556 0.0000 H 0 0 0
- 4.7901 1.3748 0.0000 H 0 0 0
- -4.9274 -1.6324 0.0000 H 0 0 0
- -5.0076 1.5571 0.0000 H 0 0 0
- -5.3728 -0.0204 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 2 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 1 0
- 13 20 1 0
- 15 21 1 0
- 15 22 2 0
- 16 23 1 0
- 19 24 1 0
- 20 25 2 0
- 6 8 1 0
- 9 10 1 0
- 11 16 1 0
- 14 19 1 0
- 19 20 1 0
- 2 26 1 0
- 3 27 1 0
- 5 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 13 36 1 0
- 14 37 1 0
- 14 38 1 0
- 16 39 1 0
- 17 40 1 0
- 17 41 1 0
- 17 42 1 0
- 21 43 1 0
- 23 44 1 0
- 24 45 1 0
- 25 46 1 0
- 25 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-77-73-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 24 1 V2000
- -0.3167 0.8072 -0.7105 C 0 0 0
- -0.3704 -0.7462 -0.7063 C 0 0 0
- 0.8187 1.1392 0.3075 C 0 0 1
- -1.6522 1.2130 -0.0674 C 0 0 0
- 0.7468 -1.1481 0.3076 C 0 0 2
- -1.6973 -1.1116 -0.0984 C 0 0 0
- 0.5962 0.0015 1.3694 C 0 0 0
- 2.0847 0.6140 -0.3800 C 0 0 0
- -2.3834 -0.0648 0.2446 C 0 0 0
- 2.0422 -0.7031 -0.3806 C 0 0 0
- -0.3114 1.8150 0.0000 H 0 0 0
- -0.4090 -1.7533 0.0000 H 0 0 0
- 0.8735 2.1455 0.0000 H 0 0 0
- -1.2878 2.1526 0.0000 H 0 0 0
- -2.5619 1.6467 0.0000 H 0 0 0
- 0.7395 -2.1559 0.0000 H 0 0 0
- -2.0532 -2.0545 0.0000 H 0 0 0
- -0.2305 0.5780 0.0000 H 0 0 0
- -0.2650 -0.5219 0.0000 H 0 0 0
- 2.9317 1.1601 0.0000 H 0 0 0
- -3.3907 -0.0952 0.0000 H 0 0 0
- 2.8529 -1.3018 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 7 1 0
- 6 9 2 0
- 8 10 2 0
- 1 11 1 0
- 2 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-56-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.0804 0.7836 0.6312 C 0 0 1
- -1.0765 0.3597 -0.2894 C 0 0 0
- -0.4338 -0.3061 1.6006 C 0 0 0
- 1.3953 0.2896 0.0612 C 0 0 0
- -0.9358 -1.0366 0.3460 C 0 0 2
- -2.4034 1.0513 0.0300 C 0 0 0
- -0.7251 0.3975 -1.7780 C 0 0 0
- 1.4394 -0.9394 -0.3971 C 0 0 0
- 2.6109 1.1795 0.0226 C 0 0 0
- 0.1985 -1.7966 -0.3486 C 0 0 0
- 0.0846 1.8076 0.0000 H 0 0 0
- 0.0561 -1.2053 0.0000 H 0 0 0
- 0.5898 -0.2764 0.0000 H 0 0 0
- -1.8139 -1.5635 0.0000 H 0 0 0
- -1.9301 1.9594 0.0000 H 0 0 0
- -3.3115 1.5246 0.0000 H 0 0 0
- -2.8767 0.1432 0.0000 H 0 0 0
- -0.6156 -0.6207 0.0000 H 0 0 0
- 0.2931 0.5070 0.0000 H 0 0 0
- -0.8346 1.4157 0.0000 H 0 0 0
- 2.3546 -1.3988 0.0000 H 0 0 0
- 3.2158 0.3532 0.0000 H 0 0 0
- 3.4372 1.7844 0.0000 H 0 0 0
- 2.0060 2.0058 0.0000 H 0 0 0
- -0.4734 -2.5694 0.0000 H 0 0 0
- 0.8813 -2.5598 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 3 5 1 0
- 8 10 1 0
- 1 11 1 0
- 3 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-78-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 72 77 1 V2000
- -2.1750 1.1869 0.8675 C 0 0 1
- -2.6031 -0.2981 1.1050 C 0 0 1
- -0.7533 1.1056 0.3231 C 0 0 2
- -3.1177 1.6948 -0.2566 C 0 0 1
- -3.6043 -0.5828 0.0739 N 0 0 0
- -1.3437 -1.1590 0.8179 C 0 0 0
- -0.1893 -0.1697 1.0047 C 0 0 1
- 0.1683 2.2513 0.7003 C 0 0 0
- -0.7835 0.9194 -1.1952 C 0 0 0
- -4.2958 0.7146 -0.1511 C 0 0 2
- -3.5982 3.1077 0.0805 C 0 0 0
- -4.6457 -1.4887 0.5382 C 0 0 0
- 1.1017 -0.5271 0.2894 C 0 0 1
- 1.5390 1.9583 0.0712 C 0 0 0
- -5.1117 0.5816 -1.4272 C 0 0 0
- -5.5919 -1.7625 -0.6404 C 0 0 2
- 2.0967 0.6153 0.5350 C 0 0 2
- 1.6836 -1.8086 0.8962 C 0 0 0
- -6.2085 -0.4628 -1.1575 C 0 0 0
- -6.7047 -2.7116 -0.1913 C 0 0 0
- 3.4163 0.3371 -0.1646 C 0 0 2
- 3.0426 -2.0607 0.3119 C 0 0 0
- 3.8032 -1.1119 -0.1495 C 0 0 0
- 4.5325 1.1677 0.4760 C 0 0 0
- 3.2876 0.7823 -1.6227 C 0 0 0
- 5.1670 -1.4883 -0.7036 C 0 0 0
- 5.8577 0.8654 -0.2260 C 0 0 0
- 6.2222 -0.6070 -0.0284 C 0 0 2
- 7.5012 -0.8634 -0.6119 O 0 0 0
- -1.8883 2.2005 0.0000 H 0 0 0
- -2.7723 -1.3378 0.0000 H 0 0 0
- -2.3135 2.3752 0.0000 H 0 0 0
- -2.0119 -1.9733 0.0000 H 0 0 0
- -0.5909 -1.8959 0.0000 H 0 0 0
- 0.4991 0.6276 0.0000 H 0 0 0
- 0.5455 3.2349 0.0000 H 0 0 0
- -0.7449 2.7764 0.0000 H 0 0 0
- -1.8233 1.0880 0.0000 H 0 0 0
- -0.9521 -0.1204 0.0000 H 0 0 0
- 0.2563 0.7508 0.0000 H 0 0 0
- -4.7328 1.6731 0.0000 H 0 0 0
- -2.6009 3.4469 0.0000 H 0 0 0
- -3.9374 4.1050 0.0000 H 0 0 0
- -4.5955 2.7685 0.0000 H 0 0 0
- -4.7479 -2.5371 0.0000 H 0 0 0
- -3.7094 -1.9714 0.0000 H 0 0 0
- 0.4172 -1.3278 0.0000 H 0 0 0
- 2.5730 2.1595 0.0000 H 0 0 0
- 1.5487 3.0117 0.0000 H 0 0 0
- -4.9416 1.6212 0.0000 H 0 0 0
- -6.0431 1.0737 0.0000 H 0 0 0
- -5.0925 -2.6900 0.0000 H 0 0 0
- 2.7693 1.4261 0.0000 H 0 0 0
- 0.6563 -2.0416 0.0000 H 0 0 0
- 1.7045 -2.8618 0.0000 H 0 0 0
- -6.8501 0.3726 0.0000 H 0 0 0
- -7.1071 -1.0125 0.0000 H 0 0 0
- -7.3883 -1.9101 0.0000 H 0 0 0
- -7.5062 -3.3952 0.0000 H 0 0 0
- -6.0211 -3.5131 0.0000 H 0 0 0
- 3.4096 -3.0481 0.0000 H 0 0 0
- 5.0000 2.1117 0.0000 H 0 0 0
- 3.7237 1.8427 0.0000 H 0 0 0
- 4.2996 1.0748 0.0000 H 0 0 0
- 2.9951 1.7943 0.0000 H 0 0 0
- 2.2756 0.4898 0.0000 H 0 0 0
- 4.6888 -2.4269 0.0000 H 0 0 0
- 5.9907 -2.1450 0.0000 H 0 0 0
- 6.9071 0.9570 0.0000 H 0 0 0
- 5.9299 1.9163 0.0000 H 0 0 0
- 6.4818 -1.6279 0.0000 H 0 0 0
- 8.5341 -1.0705 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 21 23 1 0
- 21 24 1 0
- 21 25 1 0
- 23 26 1 0
- 24 27 1 0
- 26 28 1 0
- 28 29 1 0
- 5 10 1 0
- 6 7 1 0
- 14 17 1 0
- 16 19 1 0
- 22 23 2 0
- 27 28 1 0
- 1 30 1 0
- 2 31 1 0
- 4 32 1 0
- 6 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 11 42 1 0
- 11 43 1 0
- 11 44 1 0
- 12 45 1 0
- 12 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 15 50 1 0
- 15 51 1 0
- 16 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 19 56 1 0
- 19 57 1 0
- 20 58 1 0
- 20 59 1 0
- 20 60 1 0
- 22 61 1 0
- 24 62 1 0
- 24 63 1 0
- 25 64 1 0
- 25 65 1 0
- 25 66 1 0
- 26 67 1 0
- 26 68 1 0
- 27 69 1 0
- 27 70 1 0
- 28 71 1 0
- 29 72 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-81-25-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 72 1 V2000
- 1.2861 -0.8865 -0.6183 C 0 0 1
- 0.0863 -0.9204 0.3092 C 0 0 1
- 2.0710 0.3961 -0.3021 C 0 0 1
- 2.1858 -2.0982 -0.3697 C 0 0 1
- -0.8103 0.2888 -0.0717 C 0 0 1
- -0.8774 -2.0948 0.1070 C 0 0 0
- 3.2900 0.4781 -1.2221 C 0 0 2
- 1.2056 1.6400 -0.4701 C 0 0 0
- 3.4126 -2.0173 -1.2807 C 0 0 0
- 2.6064 -2.1069 0.9959 O 0 0 0
- -2.1262 -0.0141 0.6369 C 0 0 2
- -0.0819 1.5441 0.3660 C 0 0 2
- -1.0297 0.3166 -1.5857 C 0 0 0
- -2.2071 -1.5597 0.7057 C 0 0 0
- 4.1908 -0.7351 -0.9788 C 0 0 2
- 4.0702 1.7596 -0.9218 C 0 0 0
- 2.8291 0.4877 -2.6810 C 0 0 0
- -3.2906 0.5207 -0.1992 C 0 0 1
- 0.2559 1.4405 1.7506 O 0 0 0
- 4.6440 -0.7464 0.4827 C 0 0 0
- 4.5234 1.7487 0.5396 C 0 0 0
- -4.6068 -0.0430 0.3400 C 0 0 0
- -3.3183 2.0482 -0.1167 C 0 0 0
- 5.4222 0.5355 0.7857 C 0 0 1
- -5.7712 0.4919 -0.4961 C 0 0 0
- 5.8447 0.5248 2.1508 O 0 0 0
- -7.0676 -0.0634 0.0349 C 0 0 0
- -8.2298 0.2718 -0.5471 O 0 0 0
- -7.0610 -0.8102 0.9847 O 0 0 0
- 0.8340 -1.8178 0.0000 H 0 0 0
- 0.5421 -1.8499 0.0000 H 0 0 0
- 2.6072 -0.4895 0.0000 H 0 0 0
- 1.7111 -3.0182 0.0000 H 0 0 0
- -1.3592 -3.0111 0.0000 H 0 0 0
- -0.0147 -2.6670 0.0000 H 0 0 0
- 2.1466 2.0716 0.0000 H 0 0 0
- 0.9473 2.6425 0.0000 H 0 0 0
- 3.2703 -3.0427 0.0000 H 0 0 0
- 4.3880 -2.3642 0.0000 H 0 0 0
- 3.6414 -2.1283 0.0000 H 0 0 0
- -2.0206 1.0157 0.0000 H 0 0 0
- -0.6315 2.4214 0.0000 H 0 0 0
- -0.8996 1.3436 0.0000 H 0 0 0
- -2.0567 0.4467 0.0000 H 0 0 0
- -1.1598 -0.7104 0.0000 H 0 0 0
- -3.2287 -1.3923 0.0000 H 0 0 0
- -2.4857 -2.5567 0.0000 H 0 0 0
- 4.6675 0.1839 0.0000 H 0 0 0
- 4.2742 2.7745 0.0000 H 0 0 0
- 3.1060 2.1365 0.0000 H 0 0 0
- 2.8507 1.5227 0.0000 H 0 0 0
- 1.7941 0.5093 0.0000 H 0 0 0
- 2.8075 -0.5473 0.0000 H 0 0 0
- -3.3040 -0.5145 0.0000 H 0 0 0
- 1.2456 1.1370 0.0000 H 0 0 0
- 4.4399 -1.7613 0.0000 H 0 0 0
- 5.6084 -1.1227 0.0000 H 0 0 0
- 5.4699 2.1681 0.0000 H 0 0 0
- 4.3213 2.7640 0.0000 H 0 0 0
- -5.2544 -0.8507 0.0000 H 0 0 0
- -3.9804 -0.8672 0.0000 H 0 0 0
- -2.2832 2.0670 0.0000 H 0 0 0
- -3.3371 3.0833 0.0000 H 0 0 0
- -4.3534 2.0294 0.0000 H 0 0 0
- 5.8996 1.4541 0.0000 H 0 0 0
- -5.1236 1.2996 0.0000 H 0 0 0
- -6.3976 1.3161 0.0000 H 0 0 0
- 6.8796 0.4986 0.0000 H 0 0 0
- -9.2245 0.5587 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 11 18 1 0
- 12 19 1 0
- 15 20 1 0
- 16 21 1 0
- 18 22 1 0
- 18 23 1 0
- 20 24 1 0
- 22 25 1 0
- 24 26 1 0
- 25 27 1 0
- 27 28 1 0
- 27 29 2 0
- 8 12 1 0
- 9 15 1 0
- 11 14 1 0
- 21 24 1 0
- 1 30 1 0
- 2 31 1 0
- 3 32 1 0
- 4 33 1 0
- 6 34 1 0
- 6 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 17 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 19 55 1 0
- 20 56 1 0
- 20 57 1 0
- 21 58 1 0
- 21 59 1 0
- 22 60 1 0
- 22 61 1 0
- 23 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 25 66 1 0
- 25 67 1 0
- 26 68 1 0
- 28 69 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-33-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- 0.6061 -0.4280 -0.5765 C 0 0 0
- -0.6367 0.5047 -0.5485 C 0 0 0
- 1.7452 0.5267 -0.1313 C 0 0 1
- 0.3849 -1.3687 0.4947 O 0 0 0
- -1.7192 -0.3350 0.1620 C 0 0 2
- -0.3133 1.6292 0.2735 O 0 0 0
- 0.9920 1.4607 0.8478 C 0 0 0
- 2.7355 -0.2146 0.5842 O 0 0 0
- -1.0231 -1.6826 0.4522 C 0 0 0
- -2.8170 -0.5478 -0.7277 O 0 0 0
- 3.9498 -0.0704 -0.1297 N 0 3 0
- -3.9588 0.0199 -0.1119 N 0 3 0
- 3.9816 0.5956 -1.1489 O 0 0 0
- 4.9625 -0.6124 0.2756 O 0 5 0
- -5.0395 -0.0278 -0.6715 O 0 0 0
- -3.8601 0.5558 0.9774 O 0 5 0
- 1.3870 -0.9090 0.0000 H 0 0 0
- -1.3959 1.0192 0.0000 H 0 0 0
- 2.3819 1.1868 0.0000 H 0 0 0
- -2.0979 0.5003 0.0000 H 0 0 0
- 1.8332 1.8260 0.0000 H 0 0 0
- 0.8635 2.3688 0.0000 H 0 0 0
- -1.8710 -2.0321 0.0000 H 0 0 0
- -0.7475 -2.5573 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 8 11 1 0
- 10 12 1 0
- 11 13 2 0
- 11 14 1 0
- 12 15 2 0
- 12 16 1 0
- 5 9 1 0
- 6 7 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 5 20 1 0
- 7 21 1 0
- 7 22 1 0
- 9 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-87-44-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -0.6922 1.2762 0.0000 C 0 0 2
- -0.6922 -0.4398 0.0000 C 0 0 2
- -2.4154 1.2762 0.0000 C 0 0 0
- 0.2019 2.3361 0.0000 C 0 0 0
- -2.4154 -0.4398 0.0000 C 0 0 0
- 0.2343 -1.6259 0.0000 C 0 0 0
- -3.1941 2.8768 0.0000 C 0 0 0
- -3.9980 1.3086 0.0000 C 0 0 0
- 1.6727 2.6822 0.0000 C 0 0 0
- 1.8314 -1.6259 0.0000 C 0 0 0
- -0.4254 -2.8768 0.0000 C 0 0 0
- 2.7471 1.8133 0.0000 C 0 0 0
- 2.4947 -0.4867 0.0000 C 0 0 0
- 1.9251 0.7571 0.0000 C 0 0 0
- 3.9980 1.8133 0.0000 C 0 0 0
- 0.3701 0.8880 0.0000 H 0 0 0
- 0.3772 -0.0716 0.0000 H 0 0 0
- 0.2917 3.4635 0.0000 H 0 0 0
- -0.8441 2.7662 0.0000 H 0 0 0
- -3.5464 -0.4398 0.0000 H 0 0 0
- -2.4154 -1.5708 0.0000 H 0 0 0
- -2.1771 3.3716 0.0000 H 0 0 0
- -3.6889 3.8938 0.0000 H 0 0 0
- -4.2111 2.3820 0.0000 H 0 0 0
- -3.9748 2.4394 0.0000 H 0 0 0
- -5.1288 1.3317 0.0000 H 0 0 0
- -4.0211 0.1778 0.0000 H 0 0 0
- 2.5586 3.3853 0.0000 H 0 0 0
- 1.1797 3.7001 0.0000 H 0 0 0
- 1.6336 -2.7395 0.0000 H 0 0 0
- 2.8933 -2.0153 0.0000 H 0 0 0
- -1.5556 -2.9201 0.0000 H 0 0 0
- 0.1772 -3.8339 0.0000 H 0 0 0
- 3.3360 -1.2426 0.0000 H 0 0 0
- 3.4058 0.1834 0.0000 H 0 0 0
- 0.8017 0.8879 0.0000 H 0 0 0
- 3.9980 0.6823 0.0000 H 0 0 0
- 5.1290 1.8133 0.0000 H 0 0 0
- 3.9980 2.9443 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 6 11 2 0
- 9 12 1 0
- 10 13 1 0
- 12 14 2 0
- 12 15 1 0
- 3 5 1 0
- 13 14 1 0
- 1 16 1 0
- 2 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 7 22 1 0
- 7 23 1 0
- 7 24 1 0
- 8 25 1 0
- 8 26 1 0
- 8 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 10 31 1 0
- 11 32 1 0
- 11 33 1 0
- 13 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 15 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89-65-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 20 1 V2000
- 0.3097 -0.0460 0.7086 C 0 0 2
- -0.7457 -1.0146 0.2282 C 0 0 0
- -0.2542 1.2623 0.5734 O 0 0 0
- 1.5499 -0.1612 -0.1800 C 0 0 1
- -1.8082 -0.2731 -0.1413 C 0 0 0
- -0.6438 -2.3606 0.1784 O 0 0 0
- -1.4984 1.1355 0.0745 C 0 0 0
- 2.5550 0.9267 0.2038 C 0 0 0
- 2.1473 -1.4467 0.0003 O 0 0 0
- -2.9812 -0.7600 -0.6355 O 0 0 0
- -2.2532 2.0601 -0.1614 O 0 0 0
- 3.7133 0.8191 -0.6261 O 0 0 0
- 0.6264 -0.9861 0.0000 H 0 0 0
- 1.1947 0.7651 0.0000 H 0 0 0
- -0.5689 -3.3498 0.0000 H 0 0 0
- 2.8580 1.8714 0.0000 H 0 0 0
- 1.6981 1.4266 0.0000 H 0 0 0
- 2.5654 -2.3464 0.0000 H 0 0 0
- -3.8975 -1.1403 0.0000 H 0 0 0
- 4.7011 0.7273 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 2 0
- 8 12 1 0
- 5 7 1 0
- 1 13 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 8 17 1 0
- 9 18 1 0
- 10 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-932-53-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -0.7372 0.7950 0.0017 C 0 0 0
- -1.1807 -0.6021 0.0004 C 0 0 0
- 0.5846 1.0652 0.0016 N 0 0 0
- -1.5512 1.6998 -0.0022 O 0 0 0
- -0.2859 -1.5507 -0.0009 N 0 0 0
- -2.6499 -0.9374 0.0010 C 0 0 0
- 1.4781 0.0583 0.0003 C 0 0 0
- 1.0756 -1.2249 -0.0009 N 0 0 0
- 2.6671 0.3129 -0.0002 O 0 0 0
- 0.9038 2.0230 0.0000 H 0 0 0
- -2.8745 0.0469 0.0000 H 0 0 0
- -3.6342 -1.1620 0.0000 H 0 0 0
- -2.4253 -1.9217 0.0000 H 0 0 0
- 1.7644 -1.9630 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 5 8 1 0
- 7 9 2 0
- 7 8 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 6 13 1 0
- 8 14 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-951-78-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- 0.5284 -0.5009 0.4894 C 0 0 2
- -0.8509 -0.0901 0.2153 N 0 0 0
- 1.3861 0.6611 0.4874 O 0 0 0
- 1.0460 -1.3755 -0.6740 C 0 0 0
- -1.8616 -0.9439 0.4599 C 0 0 0
- -1.0996 1.1602 -0.2818 C 0 0 0
- 2.7133 0.1538 0.2286 C 0 0 1
- 2.5165 -0.9349 -0.8495 C 0 0 1
- -3.1380 -0.5925 0.2174 N 0 0 0
- -1.6184 -2.0485 0.9059 O 0 0 0
- -2.3708 1.5387 -0.5343 C 0 0 0
- 3.5876 1.2763 -0.3340 C 0 0 0
- 3.3807 -2.0393 -0.5746 O 0 0 0
- -3.4245 0.6286 -0.2777 C 0 0 0
- 3.6960 2.3247 0.6310 O 0 0 0
- -4.5791 0.9473 -0.4974 O 0 0 0
- -0.0827 -1.2835 0.0000 H 0 0 0
- 0.1534 -1.8103 0.0000 H 0 0 0
- 1.4071 -2.3004 0.0000 H 0 0 0
- -0.3656 1.8289 0.0000 H 0 0 0
- 3.6198 -0.2513 0.0000 H 0 0 0
- 3.4803 -0.6964 0.0000 H 0 0 0
- -3.8534 -1.2811 0.0000 H 0 0 0
- -2.5792 2.5095 0.0000 H 0 0 0
- 4.1248 0.4413 0.0000 H 0 0 0
- 4.5534 1.5069 0.0000 H 0 0 0
- 3.9926 -2.8213 0.0000 H 0 0 0
- 3.7981 3.3124 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 12 15 1 0
- 14 16 2 0
- 7 8 1 0
- 11 14 1 0
- 1 17 1 0
- 4 18 1 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-958-09-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 33 1 V2000
- -0.2875 -0.1863 0.0308 N 0 0 0
- -1.5326 0.3204 -0.2437 C 0 0 0
- 0.9952 0.4357 -0.3069 C 0 0 2
- -0.4629 -1.3717 0.6805 C 0 0 0
- -2.4513 -0.6136 0.2637 C 0 0 0
- -1.9890 1.4179 -0.8387 N 0 0 0
- 1.9862 -0.5921 -0.5242 O 0 0 0
- 1.5155 1.2351 0.9083 C 0 0 0
- -1.7331 -1.6190 0.8191 N 0 0 0
- -3.8226 -0.3424 0.1171 C 0 0 0
- -3.2829 1.6303 -0.9530 C 0 0 0
- 3.2596 0.0575 -0.3186 C 0 0 1
- 3.0395 0.9805 0.9004 C 0 0 1
- -4.1841 0.7815 -0.4928 N 0 0 0
- -4.7742 -1.2251 0.5971 N 0 0 0
- 4.3188 -0.9928 0.0217 C 0 0 0
- 3.7276 2.2156 0.6931 O 0 0 0
- 4.4580 -1.9009 -1.0728 O 0 0 0
- 0.3484 1.1693 0.0000 H 0 0 0
- 0.2442 -2.0474 0.0000 H 0 0 0
- 1.8070 2.1687 0.0000 H 0 0 0
- 0.6306 1.6515 0.0000 H 0 0 0
- -3.5685 2.5657 0.0000 H 0 0 0
- 4.1123 0.5365 0.0000 H 0 0 0
- 4.0083 0.8468 0.0000 H 0 0 0
- -5.7087 -0.9367 0.0000 H 0 0 0
- -4.5567 -2.1786 0.0000 H 0 0 0
- 5.2845 -1.1476 0.0000 H 0 0 0
- 4.7618 -0.1209 0.0000 H 0 0 0
- 4.2036 3.0700 0.0000 H 0 0 0
- 4.6062 -2.8676 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 16 18 1 0
- 5 9 1 0
- 11 14 1 0
- 12 13 1 0
- 3 19 1 0
- 4 20 1 0
- 8 21 1 0
- 8 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-50-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -0.8965 -0.1610 0.0017 C 0 0 0
- -0.1713 -1.2632 0.0009 N 0 0 0
- 0.3208 1.0774 0.0003 S 0 0 0
- -2.2760 -0.0262 -0.0016 N 0 0 0
- 1.1477 -1.2126 -0.0005 C 0 0 0
- 1.7475 0.0017 -0.0012 C 0 0 0
- -2.7008 0.9095 0.0000 H 0 0 0
- -2.8739 -0.8620 0.0000 H 0 0 0
- 1.7067 -2.0749 0.0000 H 0 0 0
- 2.7474 0.2390 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 6 2 0
- 4 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-100-11-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -2.2857 0.0002 0.1074 C 0 0 0
- -1.6190 -1.1969 0.2918 C 0 0 0
- -1.6191 1.1974 0.2882 C 0 0 0
- -3.7116 -0.0004 -0.2896 N 0 3 0
- -0.2860 -1.1964 0.6569 C 0 0 0
- -0.2857 1.1979 0.6534 C 0 0 0
- -4.2990 1.0542 -0.4520 O 0 0 0
- -4.2977 -1.0554 -0.4538 O 0 5 0
- 0.3808 0.0011 0.8377 C 0 0 0
- 1.8344 0.0017 1.2353 C 0 0 0
- 2.9555 -0.0004 -0.3797 Br 0 0 0
- -2.1394 -2.0828 0.0000 H 0 0 0
- -2.1399 2.0830 0.0000 H 0 0 0
- 0.2348 -2.0820 0.0000 H 0 0 0
- 0.2347 2.0838 0.0000 H 0 0 0
- 2.3491 0.8909 0.0000 H 0 0 0
- 1.3210 0.8916 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 9 10 1 0
- 10 11 1 0
- 6 9 2 0
- 2 12 1 0
- 3 13 1 0
- 5 14 1 0
- 6 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-105-54-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 19 1 V2000
- -0.0051 -0.1391 -0.0011 C 0 0 0
- -1.2717 0.6775 0.0007 C 0 0 0
- 1.1889 0.4742 0.0003 O 0 0 0
- -0.0644 -1.3459 0.0013 O 0 0 0
- -2.4820 -0.2585 -0.0014 C 0 0 0
- 2.4092 -0.3126 -0.0014 C 0 0 0
- -3.7679 0.5706 0.0004 C 0 0 0
- 3.6195 0.6233 0.0006 C 0 0 0
- -0.5558 1.5521 0.0000 H 0 0 0
- -2.0598 1.4877 0.0000 H 0 0 0
- -3.1979 -1.1331 0.0000 H 0 0 0
- -1.6939 -1.0687 0.0000 H 0 0 0
- 1.6933 -1.1872 0.0000 H 0 0 0
- 3.1973 -1.1228 0.0000 H 0 0 0
- -3.1554 1.5205 0.0000 H 0 0 0
- -4.7178 1.1831 0.0000 H 0 0 0
- -4.3804 -0.3793 0.0000 H 0 0 0
- 4.3109 -0.2708 0.0000 H 0 0 0
- 4.5136 1.3147 0.0000 H 0 0 0
- 2.9281 1.5174 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 6 8 1 0
- 2 9 1 0
- 2 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 8 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-107-13-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 6 1 V2000
- 0.7917 -0.5149 0.0000 C 0 0 0
- -0.5848 -0.1199 0.0000 C 0 0 0
- 1.7490 0.4092 0.0000 C 0 0 0
- -1.6767 0.1934 0.0000 N 0 0 0
- 1.0329 -1.4832 0.0000 H 0 0 0
- 2.7082 0.1340 0.0000 H 0 0 0
- 1.5078 1.3775 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 2 4 3 0
- 1 5 1 0
- 3 6 1 0
- 3 7 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1122-54-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.2486 0.0094 0.0033 C 0 0 0
- 0.4708 -1.1920 0.0029 C 0 0 0
- 0.4725 1.2103 0.0009 C 0 0 0
- -1.7241 0.0103 0.0001 C 0 0 0
- 1.8515 -1.1451 0.0003 C 0 0 0
- 1.8526 1.1618 -0.0017 C 0 0 0
- -2.4768 1.3159 0.0005 C 0 0 0
- -2.3288 -1.0357 -0.0029 O 0 0 0
- 2.4899 0.0079 -0.0020 N 0 0 0
- -0.0247 -2.1020 0.0000 H 0 0 0
- -0.0219 2.1208 0.0000 H 0 0 0
- 2.3927 -2.0287 0.0000 H 0 0 0
- 2.3947 2.0448 0.0000 H 0 0 0
- -1.5792 1.8334 0.0000 H 0 0 0
- -2.9943 2.2135 0.0000 H 0 0 0
- -3.3744 0.7984 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 9 1 0
- 2 10 1 0
- 3 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1837-57-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 47 1 V2000
- -4.1624 0.3804 -0.2207 C 0 0 0
- -4.8963 -0.6736 0.3814 C 0 0 0
- -2.8491 0.1519 -0.6814 C 0 0 0
- -4.7497 1.6518 -0.3491 C 0 0 0
- -4.3690 -1.8906 0.5246 N 0 0 0
- -6.2080 -0.4191 0.8344 C 0 0 0
- -2.3136 -1.1378 -0.5202 C 0 0 0
- -2.1147 1.1601 -1.2708 N 0 0 0
- -6.0190 1.8601 0.1061 C 0 0 0
- -3.1357 -2.1734 0.1113 C 0 0 0
- -6.7479 0.8190 0.6906 C 0 0 0
- -1.0136 -1.4551 -0.9497 C 0 0 0
- -6.5849 3.0901 -0.0185 O 0 0 0
- -2.5910 -3.4605 0.2685 C 0 0 0
- -0.5356 -2.7145 -0.7744 C 0 0 0
- -7.8971 2.9996 0.5401 C 0 0 0
- -1.3110 -3.7127 -0.1719 C 0 0 0
- -8.5926 4.3580 0.4311 C 0 0 0
- -0.7752 -4.9891 -0.0137 N 0 0 0
- 11.9248 1.6224 -0.0014 C 0 0 0
- 11.1452 0.5026 0.6383 C 0 0 0
- 13.3088 1.1127 -0.4084 C 0 0 0
- 11.2285 2.0865 -1.1597 O 0 0 0
- 11.6114 -0.0913 1.7481 O 0 0 0
- 10.1005 0.1392 0.1521 O 0 0 0
- -4.1459 2.4455 0.0000 H 0 0 0
- -6.8317 -1.1973 0.0000 H 0 0 0
- -1.1230 1.0546 0.0000 H 0 0 0
- -2.5192 2.0716 0.0000 H 0 0 0
- -7.7402 0.9184 0.0000 H 0 0 0
- -0.3532 -0.7078 0.0000 H 0 0 0
- -3.2200 -4.2344 0.0000 H 0 0 0
- 0.4506 -2.8624 0.0000 H 0 0 0
- -8.8378 2.6685 0.0000 H 0 0 0
- -7.6954 2.0229 0.0000 H 0 0 0
- -7.7049 4.8125 0.0000 H 0 0 0
- -9.0471 5.2457 0.0000 H 0 0 0
- -9.4803 3.9035 0.0000 H 0 0 0
- -1.3785 -5.7831 0.0000 H 0 0 0
- 0.2141 -5.1146 0.0000 H 0 0 0
- 12.3768 2.5113 0.0000 H 0 0 0
- 12.9642 0.1769 0.0000 H 0 0 0
- 14.2446 0.7681 0.0000 H 0 0 0
- 13.6534 2.0485 0.0000 H 0 0 0
- 10.3987 2.6396 0.0000 H 0 0 0
- 12.2272 -0.8757 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 17 19 1 0
- 20 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 2 0
- 7 10 1 0
- 9 11 1 0
- 15 17 2 0
- 4 26 1 0
- 6 27 1 0
- 8 28 1 0
- 8 29 1 0
- 11 30 1 0
- 12 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
- 19 40 1 0
- 20 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2402-78-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -0.0001 -0.5433 0.0000 N 0 0 0
- -1.1526 0.0997 0.0001 C 0 0 0
- 1.1526 0.0998 0.0001 C 0 0 0
- -1.1910 1.4828 -0.0001 C 0 0 0
- -2.6372 -0.8000 0.0000 Cl 0 0 0
- 1.1911 1.4824 -0.0001 C 0 0 0
- 2.6372 -0.8000 0.0000 Cl 0 0 0
- -0.0001 2.1919 0.0000 C 0 0 0
- -2.1010 1.9835 0.0000 H 0 0 0
- 2.1011 1.9830 0.0000 H 0 0 0
- 0.0000 3.2305 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 2 4 1 0
- 2 5 1 0
- 3 6 2 0
- 3 7 1 0
- 4 8 2 0
- 6 8 1 0
- 4 9 1 0
- 6 10 1 0
- 8 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-311-45-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -1.9618 -0.2707 -0.1109 P 0 0 0
- -1.0203 -1.1878 -1.0408 O 0 0 0
- -1.7557 1.2778 -0.5003 O 0 0 0
- -3.5022 -0.6805 -0.3371 O 0 0 0
- -1.6006 -0.4744 1.3098 O 0 0 0
- 0.2647 -0.8851 -0.7184 C 0 0 0
- -1.0186 1.8775 0.5670 C 0 0 0
- -4.2696 0.0530 0.6195 C 0 0 0
- 0.8392 -1.4218 0.4244 C 0 0 0
- 1.0061 -0.0431 -1.5349 C 0 0 0
- -0.7873 3.3581 0.2581 C 0 0 0
- -5.7513 -0.2923 0.4576 C 0 0 0
- 2.1460 -1.1128 0.7497 C 0 0 0
- 2.3121 0.2627 -1.2053 C 0 0 0
- 2.8809 -0.2695 -0.0627 C 0 0 0
- 4.2805 0.0598 0.2881 N 0 3 0
- 4.9289 0.8027 -0.4269 O 0 0 0
- 4.7840 -0.4121 1.2918 O 0 5 0
- -0.6598 1.0373 0.0000 H 0 0 0
- -0.1121 1.9908 0.0000 H 0 0 0
- -3.5234 0.5801 0.0000 H 0 0 0
- -4.6438 0.8865 0.0000 H 0 0 0
- 0.6047 -2.3048 0.0000 H 0 0 0
- 0.5368 0.7408 0.0000 H 0 0 0
- 0.1153 3.2171 0.0000 H 0 0 0
- -0.6463 4.2607 0.0000 H 0 0 0
- -1.6899 3.4991 0.0000 H 0 0 0
- -5.9586 0.5974 0.0000 H 0 0 0
- -6.6410 -0.4996 0.0000 H 0 0 0
- -5.5440 -1.1820 0.0000 H 0 0 0
- 2.6181 -1.8949 0.0000 H 0 0 0
- 2.5479 1.1453 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 2 0
- 13 15 2 0
- 15 16 1 0
- 16 17 2 0
- 16 18 1 0
- 14 15 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 11 27 1 0
- 12 28 1 0
- 12 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-32795-47-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 48 49 1 V2000
- -4.9054 -0.3518 -0.3750 C 0 0 0
- -5.9345 0.7074 -0.6804 C 0 0 0
- -3.7583 -0.0449 0.3252 C 0 0 0
- -5.1301 -1.6494 -0.8046 C 0 0 0
- -7.3123 0.1640 -0.4022 C 0 0 0
- -5.6817 1.9319 0.2011 C 0 0 0
- -3.4848 1.3518 0.8154 C 0 0 0
- -2.8254 -1.0444 0.5907 C 0 0 0
- -4.2060 -2.6426 -0.5412 C 0 0 0
- -7.5722 -0.4828 0.7913 C 0 0 0
- -8.3179 0.3175 -1.3385 C 0 0 0
- -4.2736 2.3301 0.0630 N 0 0 0
- -3.0509 -2.3420 0.1531 C 0 0 0
- -1.6603 -0.7401 1.2984 N 0 0 0
- -8.8362 -0.9813 1.0464 C 0 0 0
- -9.5816 -0.1808 -1.0835 C 0 0 0
- -4.1281 3.6153 0.7596 C 0 0 0
- -9.8400 -0.8329 0.1080 C 0 0 0
- 11.2778 -0.9275 -1.0696 C 0 0 0
- 10.2009 -0.1782 -1.3571 C 0 0 0
- 11.8097 -0.9576 0.3066 C 0 0 0
- 9.9429 1.0632 -0.6021 C 0 0 0
- 12.9828 -1.5692 0.5623 O 0 0 0
- 11.1900 -0.4311 1.2087 O 0 0 0
- 8.7496 1.6802 -0.7075 O 0 0 0
- 10.8061 1.5288 0.1141 O 0 0 0
- -5.0032 0.9789 0.0000 H 0 0 0
- -6.0599 -1.9258 0.0000 H 0 0 0
- -5.7938 2.8955 0.0000 H 0 0 0
- -6.6508 1.9744 0.0000 H 0 0 0
- -2.6016 0.9507 0.0000 H 0 0 0
- -2.8906 2.1186 0.0000 H 0 0 0
- -4.4773 -3.5740 0.0000 H 0 0 0
- -6.8885 -1.1709 0.0000 H 0 0 0
- -8.4264 1.2815 0.0000 H 0 0 0
- -2.3373 -2.9991 0.0000 H 0 0 0
- -0.9787 -1.4304 0.0000 H 0 0 0
- -1.4033 0.1953 0.0000 H 0 0 0
- -8.7254 -1.9450 0.0000 H 0 0 0
- -10.2670 0.5057 0.0000 H 0 0 0
- -3.1642 3.5062 0.0000 H 0 0 0
- -4.0190 4.5792 0.0000 H 0 0 0
- -5.0920 3.7244 0.0000 H 0 0 0
- -10.6802 -1.3177 0.0000 H 0 0 0
- 10.9614 -1.8445 0.0000 H 0 0 0
- 9.3916 -0.7130 0.0000 H 0 0 0
- 13.8430 -2.0177 0.0000 H 0 0 0
- 7.8879 2.1257 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 2 0
- 5 11 1 0
- 6 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 15 18 2 0
- 19 20 2 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 2 0
- 22 25 1 0
- 22 26 2 0
- 7 12 1 0
- 9 13 2 0
- 16 18 1 0
- 2 27 1 0
- 4 28 1 0
- 6 29 1 0
- 6 30 1 0
- 7 31 1 0
- 7 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 13 36 1 0
- 14 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 17 43 1 0
- 18 44 1 0
- 19 45 1 0
- 20 46 1 0
- 23 47 1 0
- 25 48 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-562-10-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- -5.0666 -0.3082 0.5837 C 0 0 0
- -5.5855 -1.6760 0.2218 C 0 0 0
- -3.6695 -0.1419 0.0439 C 0 0 0
- -5.9182 0.6896 0.0169 O 0 0 0
- -5.0465 -0.1567 2.1061 C 0 0 0
- -6.9284 -1.8557 -0.0514 C 0 0 0
- -4.7172 -2.7500 0.1576 C 0 0 0
- -2.5863 -0.3371 0.8800 C 0 0 0
- -3.4944 0.1829 -1.2220 N 0 0 0
- -5.0951 1.8230 -0.2657 C 0 0 0
- -7.4044 -3.1106 -0.3834 C 0 0 0
- -5.1931 -4.0045 -0.1743 C 0 0 0
- -1.3053 -0.1817 0.3735 C 0 0 0
- -2.2907 0.3391 -1.7378 C 0 0 0
- -5.9502 2.9342 -0.8781 C 0 0 0
- -6.5374 -4.1853 -0.4420 C 0 0 0
- -1.1610 0.1659 -0.9612 C 0 0 0
- -7.0048 3.3190 0.0694 N 0 0 0
- -6.3326 3.9297 1.2240 C 0 0 0
- -7.7848 4.3831 -0.5765 C 0 0 0
- 11.4908 0.6077 0.2241 C 0 0 0
- 10.5454 -0.5801 0.0336 C 0 0 0
- 12.7337 0.3979 -0.6018 C 0 0 0
- 9.3024 -0.3703 0.8595 C 0 0 0
- 13.7102 1.3189 -0.5909 O 0 0 0
- 12.8513 -0.5993 -1.2738 O 0 0 0
- 8.3260 -1.2913 0.8485 O 0 0 0
- 9.1848 0.6269 1.5315 O 0 0 0
- -4.0684 -0.2865 0.0000 H 0 0 0
- -4.9167 0.8214 0.0000 H 0 0 0
- -6.0246 -0.0269 0.0000 H 0 0 0
- -7.5416 -1.0827 0.0000 H 0 0 0
- -3.7429 -2.5941 0.0000 H 0 0 0
- -2.6147 -1.3234 0.0000 H 0 0 0
- -4.3557 1.1696 0.0000 H 0 0 0
- -4.3742 2.4966 0.0000 H 0 0 0
- -8.3788 -3.2660 0.0000 H 0 0 0
- -4.5796 -4.7773 0.0000 H 0 0 0
- -0.7089 -0.9678 0.0000 H 0 0 0
- -2.2793 1.3257 0.0000 H 0 0 0
- -5.0138 3.2452 0.0000 H 0 0 0
- -5.9358 3.9208 0.0000 H 0 0 0
- -6.9026 -5.1019 0.0000 H 0 0 0
- -0.3011 0.6498 0.0000 H 0 0 0
- -5.6691 3.1994 0.0000 H 0 0 0
- -5.6023 4.5932 0.0000 H 0 0 0
- -6.9961 4.6600 0.0000 H 0 0 0
- -6.9890 4.9664 0.0000 H 0 0 0
- -8.3681 5.1789 0.0000 H 0 0 0
- -8.5806 3.7998 0.0000 H 0 0 0
- 11.8157 1.5394 0.0000 H 0 0 0
- 10.6268 1.0841 0.0000 H 0 0 0
- 10.2205 -1.5118 0.0000 H 0 0 0
- 11.4094 -1.0565 0.0000 H 0 0 0
- 14.4280 1.9959 0.0000 H 0 0 0
- 7.6082 -1.9683 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 6 11 1 0
- 7 12 2 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 13 17 1 0
- 15 18 1 0
- 18 19 1 0
- 18 20 1 0
- 21 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 23 26 2 0
- 24 27 1 0
- 24 28 2 0
- 12 16 1 0
- 14 17 2 0
- 5 29 1 0
- 5 30 1 0
- 5 31 1 0
- 6 32 1 0
- 7 33 1 0
- 8 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 12 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 15 42 1 0
- 16 43 1 0
- 17 44 1 0
- 19 45 1 0
- 19 46 1 0
- 19 47 1 0
- 20 48 1 0
- 20 49 1 0
- 20 50 1 0
- 21 51 1 0
- 21 52 1 0
- 22 53 1 0
- 22 54 1 0
- 25 55 1 0
- 27 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-57-55-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 12 1 V2000
- 0.5329 0.0807 -0.3535 C 0 0 0
- -0.6995 0.7345 0.2747 C 0 0 0
- 1.7834 0.8728 0.0334 C 0 0 0
- 0.6538 -1.2618 0.1208 O 0 0 0
- -1.8675 -0.0053 -0.0867 O 0 0 0
- -0.3347 -0.4957 0.0000 H 0 0 0
- -0.0604 1.5570 0.0000 H 0 0 0
- -1.3999 1.5055 0.0000 H 0 0 0
- 2.3408 -0.0071 0.0000 H 0 0 0
- 2.6633 1.4302 0.0000 H 0 0 0
- 1.2260 1.7527 0.0000 H 0 0 0
- 0.7472 -2.2992 0.0000 H 0 0 0
- -2.7475 -0.5627 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-615-50-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- -6.9241 0.0052 -0.0962 S 0 0 0
- -7.7561 -0.9622 0.7334 O 0 0 0
- -5.6801 -0.7421 -0.5549 O 0 0 0
- -7.6808 0.2543 -1.2729 O 0 0 0
- -6.4655 0.9972 0.8121 O 0 0 0
- 5.5758 1.0716 -0.0915 C 0 0 0
- 4.8166 0.1888 0.6655 C 0 0 0
- 6.7726 0.6570 -0.6413 C 0 0 0
- 5.0904 2.4802 -0.3180 C 0 0 0
- 5.2611 -1.1106 0.8695 C 0 0 0
- 3.6034 0.6093 1.2234 N 0 0 0
- 7.2171 -0.6428 -0.4373 C 0 0 0
- 6.4582 -1.5253 0.3195 C 0 0 0
- 8.4304 -1.0633 -0.9951 N 0 0 0
- -8.3801 -1.6877 0.0000 H 0 0 0
- -4.8598 -1.2349 0.0000 H 0 0 0
- 7.4506 1.3323 0.0000 H 0 0 0
- 5.9952 2.7920 0.0000 H 0 0 0
- 4.7786 3.3850 0.0000 H 0 0 0
- 4.1856 2.1684 0.0000 H 0 0 0
- 4.5831 -1.7860 0.0000 H 0 0 0
- 3.4227 1.5491 0.0000 H 0 0 0
- 2.8799 -0.0171 0.0000 H 0 0 0
- 6.7075 -2.4492 0.0000 H 0 0 0
- 8.6111 -2.0031 0.0000 H 0 0 0
- 9.1539 -0.4369 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 6 7 1 0
- 6 8 2 0
- 6 9 1 0
- 7 10 2 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 13 2 0
- 2 15 1 0
- 3 16 1 0
- 8 17 1 0
- 9 18 1 0
- 9 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-78-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 14 1 V2000
- 0.5725 0.0000 -0.3520 C 0 0 0
- -0.6358 -0.6965 0.2771 C 0 0 0
- 0.6499 1.4422 0.1529 C 0 0 0
- 1.8506 -0.7457 0.0369 C 0 0 0
- -1.8295 0.0000 -0.0862 O 0 0 0
- -0.3347 0.5571 0.0000 H 0 0 0
- -1.3228 -1.5098 0.0000 H 0 0 0
- 0.0469 -1.5134 0.0000 H 0 0 0
- 1.7130 1.3851 0.0000 H 0 0 0
- 0.7070 2.5053 0.0000 H 0 0 0
- -0.4132 1.4993 0.0000 H 0 0 0
- 1.3141 -1.6652 0.0000 H 0 0 0
- 2.7701 -1.2822 0.0000 H 0 0 0
- 2.3871 0.1738 0.0000 H 0 0 0
- -2.7490 0.5365 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-80-71-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 16 1 V2000
- -0.1457 -0.5605 -0.0016 C 0 0 0
- -1.1693 0.2866 -0.0006 C 0 0 0
- 1.1430 0.1322 -0.0006 C 0 0 0
- -0.2802 -1.9140 0.0021 O 0 0 0
- -0.6758 1.7115 0.0012 C 0 0 0
- -2.6205 -0.1198 -0.0012 C 0 0 0
- 0.8600 1.6192 0.0012 C 0 0 0
- 2.2381 -0.3898 -0.0009 O 0 0 0
- -0.3903 -3.0223 0.0000 H 0 0 0
- -0.5081 2.8126 0.0000 H 0 0 0
- -1.7571 1.9787 0.0000 H 0 0 0
- -2.9209 0.9527 0.0000 H 0 0 0
- -3.6930 -0.4202 0.0000 H 0 0 0
- -2.3201 -1.1923 0.0000 H 0 0 0
- 1.9676 1.7363 0.0000 H 0 0 0
- 0.8348 2.7327 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 7 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90-33-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- -0.1630 0.6110 -0.0040 C 0 0 0
- -0.0309 -0.7900 -0.0021 C 0 0 0
- 0.9399 1.3900 -0.0026 O 0 0 0
- -1.4296 1.1756 -0.0017 C 0 0 0
- 1.3110 -1.3761 0.0010 C 0 0 0
- -1.1716 -1.6013 -0.0026 C 0 0 0
- 2.1727 0.8592 0.0007 C 0 0 0
- -2.5475 0.3577 0.0026 C 0 0 0
- 2.3784 -0.5358 0.0018 C 0 0 0
- 1.5028 -2.8709 0.0037 C 0 0 0
- -2.4105 -1.0292 -0.0051 C 0 0 0
- 3.1383 1.6014 0.0015 O 0 0 0
- -3.7868 0.9117 0.0054 O 0 0 0
- -1.5397 2.2092 0.0000 H 0 0 0
- -1.0753 -2.6363 0.0000 H 0 0 0
- 3.3442 -0.9201 0.0000 H 0 0 0
- 0.4718 -3.0032 0.0000 H 0 0 0
- 1.6351 -3.9019 0.0000 H 0 0 0
- 2.5338 -2.7386 0.0000 H 0 0 0
- -3.2575 -1.6317 0.0000 H 0 0 0
- -4.7358 1.3359 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 7 9 1 0
- 8 11 1 0
- 4 14 1 0
- 6 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 10 19 1 0
- 11 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-91-66-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -0.1675 0.0015 -0.0010 C 0 0 0
- 1.2292 -0.0005 -0.0008 N 0 0 0
- -0.8642 -0.5642 -1.0611 C 0 0 0
- -0.8632 0.5641 1.0619 C 0 0 0
- 1.9603 -0.9491 0.8429 C 0 0 0
- 1.9631 0.9461 -0.8443 C 0 0 0
- -2.2454 -0.5610 -1.0579 C 0 0 0
- -2.2440 0.5639 1.0587 C 0 0 0
- 1.9739 -2.3237 0.1711 C 0 0 0
- 1.9876 2.3186 -0.1685 C 0 0 0
- -2.9346 0.0044 -0.0010 C 0 0 0
- -0.5648 -1.4112 0.0000 H 0 0 0
- -0.5637 1.4110 0.0000 H 0 0 0
- 2.8190 -1.2130 0.0000 H 0 0 0
- 2.4721 -0.2108 0.0000 H 0 0 0
- 2.4715 0.2055 0.0000 H 0 0 0
- 2.8234 1.2046 0.0000 H 0 0 0
- -2.5489 -1.4065 0.0000 H 0 0 0
- -2.5440 1.4106 0.0000 H 0 0 0
- 1.0756 -2.3326 0.0000 H 0 0 0
- 1.9828 -3.2220 0.0000 H 0 0 0
- 2.8722 -2.3148 0.0000 H 0 0 0
- 2.8858 2.3026 0.0000 H 0 0 0
- 2.0036 3.2168 0.0000 H 0 0 0
- 1.0894 2.3346 0.0000 H 0 0 0
- -3.8329 0.0072 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 1 0
- 7 11 2 0
- 8 11 1 0
- 3 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-96-12-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 10 1 V2000
- -0.4994 0.7407 -0.0509 C 0 0 0
- -1.7184 1.4129 0.5840 C 0 0 0
- 0.7666 1.1763 0.6896 C 0 0 0
- -0.6905 -1.2122 0.0706 Br 0 0 0
- -3.2103 0.8995 -0.2886 Cl 0 0 0
- 2.3330 0.3126 -0.1263 Br 0 0 0
- -0.3974 1.9196 0.0000 H 0 0 0
- -0.9126 2.2795 0.0000 H 0 0 0
- -2.3635 2.4049 0.0000 H 0 0 0
- 1.5724 2.0429 0.0000 H 0 0 0
- 0.1215 2.1683 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 1 7 1 0
- 2 8 1 0
- 2 9 1 0
- 3 10 1 0
- 3 11 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97-88-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 1.2895 -0.3784 -0.0013 C 0 0 0
- 0.0970 0.2500 -0.0003 O 0 0 0
- 2.5328 0.4050 -0.0004 C 0 0 0
- 1.3365 -1.5928 0.0022 O 0 0 0
- -1.1315 -0.5241 -0.0012 C 0 0 0
- 2.4746 1.9109 0.0015 C 0 0 0
- 3.7102 -0.2154 -0.0014 C 0 0 0
- -2.3320 0.4245 0.0002 C 0 0 0
- -3.6264 -0.3911 -0.0007 C 0 0 0
- -4.8269 0.5574 0.0007 C 0 0 0
- -1.9082 -1.3061 0.0000 H 0 0 0
- -0.4423 -1.3842 0.0000 H 0 0 0
- 3.5759 1.9535 0.0000 H 0 0 0
- 2.4320 3.0122 0.0000 H 0 0 0
- 1.3733 1.8683 0.0000 H 0 0 0
- 3.7528 -1.3167 0.0000 H 0 0 0
- 4.6427 0.3721 0.0000 H 0 0 0
- -1.5553 1.2065 0.0000 H 0 0 0
- -3.0212 1.2846 0.0000 H 0 0 0
- -4.4030 -1.1731 0.0000 H 0 0 0
- -2.9372 -1.2512 0.0000 H 0 0 0
- -4.1436 1.4222 0.0000 H 0 0 0
- -5.6917 1.2407 0.0000 H 0 0 0
- -5.5102 -0.3074 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 9 21 1 0
- 10 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-101-26-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 27 1 V2000
- -4.2575 -0.9586 0.0337 C 0 0 0
- -5.1690 0.0167 0.2905 O 0 0 0
- -3.1502 -1.1199 0.8532 C 0 0 0
- -4.4250 -1.8129 -1.0516 C 0 0 0
- -4.9774 1.2606 -0.1889 C 0 0 0
- -2.2639 -2.0647 0.6084 N 0 3 0
- -3.4698 -2.7918 -1.2726 C 0 0 0
- -5.8206 2.2534 0.1570 N 0 0 0
- -4.0442 1.4878 -0.9334 O 0 0 0
- -2.3903 -2.8873 -0.4142 C 0 0 0
- -1.1069 -2.2039 1.4963 C 0 0 0
- -6.9457 1.9796 1.0545 C 0 0 0
- -5.6122 3.6065 -0.3645 C 0 0 0
- 8.7241 0.4063 -0.0274 Br 0 0 0
- -2.7458 -0.3451 0.0000 H 0 0 0
- -5.2626 -2.0626 0.0000 H 0 0 0
- -3.8444 -3.5815 0.0000 H 0 0 0
- -1.8510 -3.5750 0.0000 H 0 0 0
- -1.2113 -3.0717 0.0000 H 0 0 0
- -0.2391 -2.3083 0.0000 H 0 0 0
- -1.0025 -1.3362 0.0000 H 0 0 0
- -7.1524 2.8288 0.0000 H 0 0 0
- -7.7949 1.7729 0.0000 H 0 0 0
- -6.7390 1.1304 0.0000 H 0 0 0
- -4.7484 3.4735 0.0000 H 0 0 0
- -5.4792 4.4703 0.0000 H 0 0 0
- -6.4760 3.7395 0.0000 H 0 0 0
- 9.5981 0.4063 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 8 13 1 0
- 7 10 1 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 10 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-10510-77-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 43 1 V2000
- -5.6631 -1.2499 -0.1584 C 0 0 0
- -6.5624 -0.3189 -0.4571 N 0 3 0
- -4.3922 -0.8742 0.4733 C 0 0 0
- -5.9013 -2.6119 -0.4432 C 0 0 0
- -6.3038 0.9548 -0.1803 C 0 0 0
- -7.8304 -0.6939 -1.0878 C 0 0 0
- -4.1337 0.3990 0.7505 N 0 0 0
- -3.4593 -1.8896 0.7759 C 0 0 0
- -4.9609 -3.5375 -0.1258 C 0 0 0
- -5.0330 1.3303 0.4513 C 0 0 0
- -7.2355 1.9703 -0.4839 C 0 0 0
- -8.8713 -0.9870 -0.0055 C 0 0 0
- -3.7543 -3.1807 0.4792 C 0 0 0
- -4.7915 2.6924 0.7307 C 0 0 0
- -6.9394 3.2619 -0.1882 C 0 0 0
- -5.7313 3.6188 0.4122 C 0 0 0
- 9.8018 -0.7162 0.1019 O 0 0 0
- 8.8201 0.3584 -0.3429 S 0 0 0
- 10.9247 -0.0398 0.6708 C 0 0 0
- 8.3469 0.9671 0.8508 O 0 0 0
- 9.4533 1.0387 -1.4179 O 0 0 0
- 7.6173 -0.3480 -0.9518 O 0 0 0
- 11.9552 -1.0685 1.1409 C 0 0 0
- -6.8448 -2.9142 0.0000 H 0 0 0
- -8.0705 -1.6551 0.0000 H 0 0 0
- -7.1150 -1.3793 0.0000 H 0 0 0
- -2.5017 -1.6356 0.0000 H 0 0 0
- -5.2012 -4.4986 0.0000 H 0 0 0
- -8.1933 1.7170 0.0000 H 0 0 0
- -9.1398 -0.0334 0.0000 H 0 0 0
- -9.8249 -1.2555 0.0000 H 0 0 0
- -8.6028 -1.9406 0.0000 H 0 0 0
- -3.0321 -3.8589 0.0000 H 0 0 0
- -3.8476 2.9933 0.0000 H 0 0 0
- -7.6613 3.9404 0.0000 H 0 0 0
- -5.4905 4.5798 0.0000 H 0 0 0
- 11.6793 0.6021 0.0000 H 0 0 0
- 10.3462 0.7645 0.0000 H 0 0 0
- 11.2553 -1.7697 0.0000 H 0 0 0
- 12.6564 -1.7684 0.0000 H 0 0 0
- 12.6551 -0.3673 0.0000 H 0 0 0
- 6.7630 -0.8497 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 2 0
- 6 12 1 0
- 8 13 2 0
- 10 14 2 0
- 11 15 1 0
- 14 16 1 0
- 17 18 1 0
- 17 19 1 0
- 18 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 1 0
- 7 10 1 0
- 9 13 1 0
- 15 16 2 0
- 4 24 1 0
- 6 25 1 0
- 6 26 1 0
- 8 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
- 19 37 1 0
- 19 38 1 0
- 23 39 1 0
- 23 40 1 0
- 23 41 1 0
- 22 42 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-107-06-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 8 7 1 V2000
- 0.4913 0.5864 0.0000 C 0 0 0
- -0.4913 -0.5864 0.0000 C 0 0 0
- 2.1803 -0.0447 0.0000 Cl 0 0 0
- -2.1803 0.0447 0.0000 Cl 0 0 0
- 1.1048 1.7915 0.0000 H 0 0 0
- -0.6368 1.3321 0.0000 H 0 0 0
- -1.1048 -1.7915 0.0000 H 0 0 0
- 0.6368 -1.3321 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1070-11-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 42 39 1 V2000
- -3.7064 -2.8122 -0.1449 C 0 0 2
- -4.0511 -1.5426 0.5089 N 0 0 0
- -4.1406 -3.9785 0.7452 C 0 0 0
- -2.1942 -2.8767 -0.3684 C 0 0 0
- -4.9818 -0.8448 -0.3882 C 0 0 0
- -5.5350 -4.4483 0.3261 C 0 0 0
- -1.8590 -4.1116 -1.0044 O 0 0 0
- -5.3840 0.4934 0.2350 C 0 0 0
- -6.3147 1.1912 -0.6621 N 0 0 0
- -6.6593 2.4607 -0.0083 C 0 0 2
- -8.1675 2.6958 -0.1140 C 0 0 0
- -5.9151 3.6070 -0.6961 C 0 0 0
- -8.8439 2.2603 1.1874 C 0 0 0
- -6.2503 4.8420 -0.0601 O 0 0 0
- 9.0005 -0.0557 0.4606 Cl 0 0 0
- 17.5682 1.0315 -0.1817 Cl 0 0 0
- -4.6920 -2.7672 0.0000 H 0 0 0
- -3.2348 -0.9886 0.0000 H 0 0 0
- -4.0442 -4.9604 0.0000 H 0 0 0
- -3.1623 -4.1057 0.0000 H 0 0 0
- -1.2206 -2.7171 0.0000 H 0 0 0
- -2.2533 -1.8919 0.0000 H 0 0 0
- -5.9682 -0.8253 0.0000 H 0 0 0
- -5.3030 -1.7776 0.0000 H 0 0 0
- -5.8500 -3.5134 0.0000 H 0 0 0
- -6.4699 -4.7633 0.0000 H 0 0 0
- -5.2200 -5.3832 0.0000 H 0 0 0
- -1.6006 -5.0637 0.0000 H 0 0 0
- -4.3976 0.4739 0.0000 H 0 0 0
- -5.0628 1.4262 0.0000 H 0 0 0
- -7.1310 0.6372 0.0000 H 0 0 0
- -5.6846 2.3080 0.0000 H 0 0 0
- -7.7508 3.5901 0.0000 H 0 0 0
- -8.9109 3.3444 0.0000 H 0 0 0
- -5.2414 2.8862 0.0000 H 0 0 0
- -5.0533 4.0872 0.0000 H 0 0 0
- -9.3780 3.0898 0.0000 H 0 0 0
- -9.6734 1.7262 0.0000 H 0 0 0
- -8.3098 1.4308 0.0000 H 0 0 0
- -6.5087 5.7941 0.0000 H 0 0 0
- 9.9871 -0.0557 0.0000 H 0 0 0
- 18.5548 1.0315 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 8 9 1 0
- 9 10 1 0
- 10 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 1 17 1 0
- 2 18 1 0
- 3 19 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 5 23 1 0
- 5 24 1 0
- 6 25 1 0
- 6 26 1 0
- 6 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 9 31 1 0
- 10 32 1 0
- 11 33 1 0
- 11 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 15 41 1 0
- 16 42 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1146-04-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 40 1 V2000
- 1.7937 -0.7885 -0.1962 C 0 0 0
- 0.4122 -1.4053 -0.1895 C 0 0 0
- 1.9311 0.5791 0.4820 C 0 0 1
- 2.9846 -1.7439 -0.0978 C 0 0 0
- 2.6672 -1.0519 -1.4249 C 0 0 0
- -0.6383 -0.5974 -0.1741 C 0 0 0
- 0.2350 -2.9018 -0.1996 C 0 0 0
- 0.8453 1.5010 -0.0539 C 0 0 0
- 1.7686 0.4202 1.9951 C 0 0 0
- 3.2162 1.1319 0.1904 O 0 0 0
- -0.5043 0.8848 -0.1343 C 0 0 0
- -2.1045 -0.9194 -0.2049 C 0 0 2
- 1.0639 2.6461 -0.3881 O 0 0 0
- -1.6921 1.4820 -0.1635 C 0 0 0
- -2.7990 0.4559 -0.2110 C 0 0 0
- -2.4616 -1.6281 0.9834 O 0 0 0
- -3.6204 0.6257 -1.4906 C 0 0 0
- -3.7018 0.5956 1.0164 C 0 0 0
- 2.6699 -2.7352 0.0000 H 0 0 0
- 4.0227 -1.6802 0.0000 H 0 0 0
- 3.6887 -0.8564 0.0000 H 0 0 0
- 2.7212 -0.0133 0.0000 H 0 0 0
- -0.7978 -2.7795 0.0000 H 0 0 0
- 0.1127 -3.9346 0.0000 H 0 0 0
- 1.2678 -3.0241 0.0000 H 0 0 0
- 1.0415 1.1638 0.0000 H 0 0 0
- 1.0250 -0.3069 0.0000 H 0 0 0
- 2.4957 -0.3234 0.0000 H 0 0 0
- 4.1716 1.5429 0.0000 H 0 0 0
- -1.4667 -1.7409 0.0000 H 0 0 0
- -1.8381 2.5117 0.0000 H 0 0 0
- -2.9296 -2.5569 0.0000 H 0 0 0
- -3.4099 1.6442 0.0000 H 0 0 0
- -4.6389 0.8362 0.0000 H 0 0 0
- -3.8309 -0.3928 0.0000 H 0 0 0
- -3.5428 1.6234 0.0000 H 0 0 0
- -4.7296 0.7546 0.0000 H 0 0 0
- -3.8608 -0.4322 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 6 11 1 0
- 6 12 1 0
- 8 13 2 0
- 11 14 2 0
- 12 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 4 5 1 0
- 8 11 1 0
- 14 15 1 0
- 4 19 1 0
- 4 20 1 0
- 5 21 1 0
- 5 22 1 0
- 7 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 12 30 1 0
- 14 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1149-99-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- 2.2009 -0.6076 -0.0230 C 0 0 0
- 0.9240 -1.3796 -0.2730 C 0 0 0
- 3.0898 -1.0869 1.1270 C 0 0 0
- 3.5192 -1.3240 -0.3223 C 0 0 0
- 2.1452 0.9017 -0.2843 C 0 0 1
- -0.2326 -0.7517 -0.1164 C 0 0 0
- 0.9663 -2.8270 -0.6904 C 0 0 0
- 0.9311 1.4764 0.4309 C 0 0 0
- 3.4169 1.5626 0.2514 C 0 0 0
- 2.0321 1.1411 -1.6886 O 0 0 0
- -0.3153 0.6846 0.2663 C 0 0 0
- -1.6366 -1.2662 -0.2524 C 0 0 2
- 0.9773 2.4981 1.0827 O 0 0 0
- -1.5775 1.0810 0.3998 C 0 0 0
- -2.5238 -0.0574 0.1016 C 0 0 1
- -1.8549 -2.3116 0.6971 O 0 0 0
- -3.4227 0.3014 -1.0834 C 0 0 0
- -3.3763 -0.3721 1.3325 C 0 0 0
- -4.2386 1.4231 -0.7398 O 0 0 0
- 3.9788 -0.5467 0.0000 H 0 0 0
- 3.0630 -0.0470 0.0000 H 0 0 0
- 3.5437 -2.3640 0.0000 H 0 0 0
- 4.4088 -0.7848 0.0000 H 0 0 0
- -0.0735 -2.8574 0.0000 H 0 0 0
- 0.9967 -3.8668 0.0000 H 0 0 0
- 2.0061 -2.7966 0.0000 H 0 0 0
- 3.8966 0.6395 0.0000 H 0 0 0
- 4.3400 2.0423 0.0000 H 0 0 0
- 2.9372 2.4857 0.0000 H 0 0 0
- 1.5877 2.0817 0.0000 H 0 0 0
- -2.6532 -1.4868 0.0000 H 0 0 0
- -1.8715 2.0789 0.0000 H 0 0 0
- -2.0675 -3.3299 0.0000 H 0 0 0
- -4.4188 0.0013 0.0000 H 0 0 0
- -3.4680 -0.7379 0.0000 H 0 0 0
- -3.7366 0.6038 0.0000 H 0 0 0
- -4.3522 -0.7324 0.0000 H 0 0 0
- -3.0160 -1.3480 0.0000 H 0 0 0
- -4.8505 2.2644 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 5 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 11 1 0
- 6 12 1 0
- 8 13 2 0
- 11 14 2 0
- 12 15 1 0
- 12 16 1 0
- 15 17 1 0
- 15 18 1 0
- 17 19 1 0
- 3 4 1 0
- 8 11 1 0
- 14 15 1 0
- 3 20 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 7 24 1 0
- 7 25 1 0
- 7 26 1 0
- 9 27 1 0
- 9 28 1 0
- 9 29 1 0
- 10 30 1 0
- 12 31 1 0
- 14 32 1 0
- 16 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
- 19 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1195-92-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 25 1 V2000
- -1.6517 0.1768 -0.0255 C 0 0 0
- -1.0119 -1.0746 0.4873 C 0 0 0
- -1.3352 -0.9180 -0.8927 O 0 0 0
- -0.8431 1.4172 -0.3188 C 0 0 0
- -3.1382 0.4048 0.2558 C 0 0 0
- 0.4772 -1.0693 0.7108 C 0 0 0
- 0.5352 1.3756 0.3340 C 0 0 0
- 1.1917 0.0421 -0.0472 C 0 0 0
- 2.6454 0.0664 0.3492 C 0 0 0
- 3.5743 -0.1161 -0.5562 C 0 0 0
- -1.2458 -2.1024 0.0000 H 0 0 0
- -0.6206 2.4476 0.0000 H 0 0 0
- -1.8160 1.8230 0.0000 H 0 0 0
- -2.9784 1.4467 0.0000 H 0 0 0
- -4.1801 0.5646 0.0000 H 0 0 0
- -3.2980 -0.6371 0.0000 H 0 0 0
- 0.2801 -2.1048 0.0000 H 0 0 0
- 1.4562 -1.4600 0.0000 H 0 0 0
- 1.5438 1.6820 0.0000 H 0 0 0
- 0.3961 2.4205 0.0000 H 0 0 0
- 1.7045 -0.8788 0.0000 H 0 0 0
- 2.7387 1.1164 0.0000 H 0 0 0
- 3.9155 -1.1135 0.0000 H 0 0 0
- 4.2675 0.6780 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 4 7 1 0
- 6 8 1 0
- 8 9 1 0
- 9 10 2 0
- 2 3 1 0
- 7 8 1 0
- 2 11 1 0
- 4 12 1 0
- 4 13 1 0
- 5 14 1 0
- 5 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 10 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1198-27-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.4745 0.4679 -0.1544 C 0 0 0
- -3.3199 -0.4905 0.4590 C 0 0 0
- -1.1947 0.0780 -0.5975 C 0 0 0
- -2.9254 1.7896 -0.3043 C 0 0 0
- -2.8697 -1.8118 0.6161 C 0 0 0
- -4.5963 -0.0996 0.9004 C 0 0 0
- -0.7872 -1.2320 -0.4256 C 0 0 0
- -0.3456 1.0067 -1.2052 N 0 0 0
- -4.1653 2.1331 0.1402 C 0 0 0
- -1.6287 -2.1648 0.1804 C 0 0 0
- -5.0015 1.1888 0.7333 C 0 0 0
- 0.4469 -1.6149 -0.8515 O 0 0 0
- 9.7472 0.3790 0.3363 Cl 0 0 0
- -2.2605 2.4946 0.0000 H 0 0 0
- -3.5372 -2.5144 0.0000 H 0 0 0
- -5.2790 -0.7874 0.0000 H 0 0 0
- 0.6008 0.7980 0.0000 H 0 0 0
- -0.6380 1.9306 0.0000 H 0 0 0
- -4.4405 3.0623 0.0000 H 0 0 0
- -1.3610 -3.0962 0.0000 H 0 0 0
- -5.9493 1.3908 0.0000 H 0 0 0
- 1.3725 -1.9021 0.0000 H 0 0 0
- 10.7163 0.3790 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 10 2 0
- 9 11 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1229-35-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 45 1 V2000
- -2.0789 -0.3095 -0.5369 N 0 0 0
- -2.4849 -0.9087 0.6553 C 0 0 0
- -1.2046 -0.9226 -1.4340 C 0 0 0
- -2.5985 1.0206 -0.8641 C 0 0 0
- -1.6927 -1.8452 1.3077 C 0 0 0
- -3.7165 -0.5519 1.1938 C 0 0 0
- -0.2688 -1.8602 -1.0152 C 0 0 0
- -1.2822 -0.5788 -2.7794 C 0 0 0
- -1.5531 2.0788 -0.5060 C 0 0 0
- -0.1292 -2.3346 0.6713 S 0 0 0
- -2.1422 -2.4147 2.4954 C 0 0 0
- -4.1542 -1.1234 2.3736 C 0 0 0
- 0.5823 -2.4435 -1.9493 C 0 0 0
- -0.4331 -1.1641 -3.6993 C 0 0 0
- -2.0077 3.4503 -1.0387 C 0 0 0
- -1.4910 2.2427 1.0300 C 0 0 0
- -3.3666 -2.0545 3.0238 C 0 0 0
- 0.4990 -2.0961 -3.2836 C 0 0 0
- -2.2187 4.3238 0.1360 N 0 0 0
- -1.3511 3.7752 1.2096 C 0 0 0
- -1.6737 5.6421 -0.2148 C 0 0 0
- 12.0940 0.4415 0.7355 Cl 0 0 0
- -3.1188 1.7025 0.0000 H 0 0 0
- -3.3462 0.6003 0.0000 H 0 0 0
- -3.9844 0.2630 0.0000 H 0 0 0
- -1.7627 0.1317 0.0000 H 0 0 0
- -0.8313 1.6154 0.0000 H 0 0 0
- -1.8820 -3.2320 0.0000 H 0 0 0
- -5.0117 -1.1442 0.0000 H 0 0 0
- 1.0685 -3.1502 0.0000 H 0 0 0
- 0.1158 -0.5050 0.0000 H 0 0 0
- -2.8369 3.6699 0.0000 H 0 0 0
- -2.5954 2.8255 0.0000 H 0 0 0
- -0.8906 1.6301 0.0000 H 0 0 0
- -0.6830 2.5305 0.0000 H 0 0 0
- -3.8348 -2.7732 0.0000 H 0 0 0
- 1.2474 -1.6771 0.0000 H 0 0 0
- -0.5197 3.5641 0.0000 H 0 0 0
- -1.0121 4.5632 0.0000 H 0 0 0
- -0.8810 5.3144 0.0000 H 0 0 0
- -1.3460 6.4348 0.0000 H 0 0 0
- -2.4664 5.9698 0.0000 H 0 0 0
- 12.9518 0.4415 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 9 16 1 0
- 11 17 2 0
- 13 18 2 0
- 15 19 1 0
- 16 20 1 0
- 19 21 1 0
- 7 10 1 0
- 12 17 1 0
- 14 18 1 0
- 19 20 1 0
- 4 23 1 0
- 4 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 20 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 22 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1253-28-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 71 1 V2000
- 1.5352 1.2173 -0.0328 C 0 0 1
- 0.0670 1.0320 -0.4023 C 0 0 2
- 1.5293 1.6848 1.4441 C 0 0 0
- 2.2487 -0.0409 -0.1595 O 0 0 0
- 2.1661 2.2674 -0.9104 C 0 0 0
- -0.5957 0.6527 0.9493 C 0 0 1
- -0.2449 -0.0876 -1.3766 C 0 0 0
- -0.5122 2.3520 -0.9150 C 0 0 0
- 0.0458 1.6659 1.9037 C 0 0 0
- 3.5586 -0.1014 0.1271 C 0 0 0
- 2.8492 1.8668 -2.1926 C 0 0 0
- 2.1243 3.4300 -0.5863 O 0 0 0
- -2.0957 0.7867 0.7607 C 0 0 1
- -1.7661 -0.0882 -1.5951 C 0 0 0
- 4.3284 -1.3711 -0.1304 C 0 0 0
- 4.1206 0.8621 0.5916 O 0 0 0
- -2.5255 -0.2554 -0.2821 C 0 0 2
- -2.8115 0.4972 2.0830 C 0 0 0
- 5.7890 -1.1742 0.2805 C 0 0 0
- -4.0292 -0.1178 -0.5495 C 0 0 2
- -4.3166 0.7009 1.8949 C 0 0 0
- 6.5705 -2.4633 0.0190 C 0 0 0
- -4.7851 -0.1689 0.7425 C 0 0 0
- -4.4567 -1.1693 -1.5581 C 0 0 0
- 8.0311 -2.2664 0.4299 C 0 0 0
- -5.8658 -0.9246 0.9340 C 0 0 0
- -5.9726 -1.3627 -1.5625 C 0 0 0
- 8.8127 -3.5555 0.1685 C 0 0 0
- -6.3839 -1.7566 -0.1574 C 0 0 0
- -7.1043 -2.7098 0.0533 O 0 0 0
- 2.4480 1.6964 0.0000 H 0 0 0
- 1.5176 2.6035 0.0000 H 0 0 0
- -0.3993 -0.2449 0.0000 H 0 0 0
- -0.3278 -1.0026 0.0000 H 0 0 0
- 0.6589 -0.2530 0.0000 H 0 0 0
- 0.3292 2.7212 0.0000 H 0 0 0
- -0.8814 3.1934 0.0000 H 0 0 0
- -1.3536 1.9828 0.0000 H 0 0 0
- 0.2100 2.5699 0.0000 H 0 0 0
- -0.8101 1.9999 0.0000 H 0 0 0
- 2.3844 1.0742 0.0000 H 0 0 0
- 3.6418 1.4020 0.0000 H 0 0 0
- 3.3140 2.6594 0.0000 H 0 0 0
- -2.2308 1.6955 0.0000 H 0 0 0
- -1.3656 0.7387 0.0000 H 0 0 0
- -2.3354 0.6330 0.0000 H 0 0 0
- 3.4850 -1.7357 0.0000 H 0 0 0
- 4.5744 -2.2564 0.0000 H 0 0 0
- -2.4679 -1.1724 0.0000 H 0 0 0
- -3.2400 -0.3156 0.0000 H 0 0 0
- -2.1954 -0.1844 0.0000 H 0 0 0
- 6.6324 -0.8097 0.0000 H 0 0 0
- 5.5430 -0.2889 0.0000 H 0 0 0
- -4.0183 0.8009 0.0000 H 0 0 0
- -4.0854 1.5901 0.0000 H 0 0 0
- -5.1718 1.0368 0.0000 H 0 0 0
- 5.7271 -2.8278 0.0000 H 0 0 0
- 6.8165 -3.3486 0.0000 H 0 0 0
- -4.4972 -2.0872 0.0000 H 0 0 0
- -3.5591 -1.3654 0.0000 H 0 0 0
- 8.8745 -1.9018 0.0000 H 0 0 0
- 7.7851 -1.3811 0.0000 H 0 0 0
- -6.5326 -0.2925 0.0000 H 0 0 0
- -5.8041 -0.4595 0.0000 H 0 0 0
- -6.7808 -0.9257 0.0000 H 0 0 0
- 8.0270 -4.0319 0.0000 H 0 0 0
- 9.2891 -4.3412 0.0000 H 0 0 0
- 9.5984 -3.0791 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 1 0
- 10 15 1 0
- 10 16 2 0
- 13 17 1 0
- 13 18 1 0
- 15 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 20 24 1 0
- 22 25 1 0
- 23 26 2 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 29 30 2 0
- 6 9 1 0
- 14 17 1 0
- 21 23 1 0
- 27 29 1 0
- 3 31 1 0
- 3 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 11 41 1 0
- 11 42 1 0
- 11 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 17 49 1 0
- 18 50 1 0
- 18 51 1 0
- 19 52 1 0
- 19 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 22 57 1 0
- 22 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 25 62 1 0
- 26 63 1 0
- 27 64 1 0
- 27 65 1 0
- 28 66 1 0
- 28 67 1 0
- 28 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-128-44-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.3691 0.7472 -0.1980 C 0 0 0
- -2.1840 -0.1814 0.4727 C 0 0 0
- -0.0211 -0.2412 -0.7865 S 0 0 0
- -1.6913 2.0705 -0.2761 C 0 0 0
- -1.6405 -1.5349 0.4325 C 0 0 0
- -3.3658 0.3057 1.0668 C 0 0 0
- -0.4847 -1.7402 -0.2045 N 0 0 0
- -0.1388 -0.2956 -2.2015 O 0 0 0
- 1.1278 0.1491 -0.0469 O 0 0 0
- -2.8572 2.5313 0.3202 C 0 0 0
- -2.2867 -2.5498 1.0224 O 0 0 0
- -3.6864 1.6400 0.9799 C 0 0 0
- 10.0013 0.3590 0.6130 Na 0 3 0
- -0.9823 2.6881 0.0000 H 0 0 0
- -4.0802 -0.3056 0.0000 H 0 0 0
- -3.0647 3.4484 0.0000 H 0 0 0
- -4.5958 1.8788 0.0000 H 0 0 0
- -2.7917 -3.3429 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 3 9 2 0
- 4 10 2 0
- 5 11 1 0
- 6 12 2 0
- 5 7 2 0
- 10 12 1 0
- 4 14 1 0
- 6 15 1 0
- 10 16 1 0
- 12 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13010-07-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 20 1 V2000
- 0.7165 0.2082 0.3457 N 0 0 0
- -0.5461 -0.2486 0.6399 C 0 0 0
- 1.8656 -0.6940 0.4545 C 0 0 0
- 0.9037 1.5348 -0.0638 N 0 3 0
- -1.5537 -0.1593 -0.3076 N 0 0 0
- -0.7953 -0.7645 1.8074 N 0 0 0
- 1.8644 -1.6662 -0.7270 C 0 0 0
- 2.0295 1.9637 -0.2433 O 0 0 0
- -0.0593 2.2593 -0.2404 O 0 5 0
- -2.7387 -0.5879 -0.0315 N 0 0 0
- 3.0645 -2.6083 -0.6134 C 0 0 0
- -3.6241 -0.5095 -0.8642 O 0 0 0
- 2.7471 -0.8936 0.0000 H 0 0 0
- 2.2540 0.1221 0.0000 H 0 0 0
- -1.6703 0.7370 0.0000 H 0 0 0
- -1.1884 -1.5784 0.0000 H 0 0 0
- 0.9829 -1.4666 0.0000 H 0 0 0
- 1.4761 -2.4824 0.0000 H 0 0 0
- 2.5064 -3.3192 0.0000 H 0 0 0
- 3.7754 -3.1664 0.0000 H 0 0 0
- 3.6226 -1.8974 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
- 10 12 2 0
- 3 13 1 0
- 3 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 7 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-13010-10-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- 0.0256 0.9686 0.0439 N 0 0 0
- -1.0508 0.1604 -0.2872 C 0 0 0
- 1.1645 0.4083 0.7755 C 0 0 0
- 0.0268 2.2128 -0.2967 N 0 0 0
- -2.0496 -0.0639 0.6301 N 0 0 0
- -1.1156 -0.3856 -1.4657 N 0 0 0
- 2.2144 -0.0901 -0.2196 C 0 0 0
- 0.9726 2.9229 -0.0057 O 0 0 0
- -3.1804 -0.8069 0.2668 N 0 3 0
- 3.4039 -0.6752 0.5444 C 0 0 0
- -4.2944 -0.3794 0.5113 O 0 0 0
- -3.0495 -1.8804 -0.2935 O 0 5 0
- 4.4538 -1.1736 -0.4507 C 0 0 0
- 5.6433 -1.7587 0.3133 C 0 0 0
- 0.4232 -0.0931 0.0000 H 0 0 0
- 1.2322 -0.4840 0.0000 H 0 0 0
- -2.3990 0.7600 0.0000 H 0 0 0
- -1.2211 -1.2743 0.0000 H 0 0 0
- 2.9557 0.4113 0.0000 H 0 0 0
- 2.1467 0.8022 0.0000 H 0 0 0
- 2.6626 -1.1766 0.0000 H 0 0 0
- 3.4716 -1.5675 0.0000 H 0 0 0
- 5.1951 -0.6722 0.0000 H 0 0 0
- 4.3861 -0.2813 0.0000 H 0 0 0
- 5.2483 -2.5617 0.0000 H 0 0 0
- 6.4463 -2.1537 0.0000 H 0 0 0
- 6.0383 -0.9557 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 9 11 2 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 3 15 1 0
- 3 16 1 0
- 5 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 10 21 1 0
- 10 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-132-20-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 50 1 V2000
- -5.8057 -0.1717 -0.5461 C 0 0 0
- -7.1338 0.4831 -0.8261 C 0 0 0
- -5.0037 0.6982 0.3872 C 0 0 0
- -6.0373 -1.5378 0.1026 C 0 0 0
- -7.4805 0.8165 -2.1218 C 0 0 0
- -8.0079 0.7452 0.2125 C 0 0 0
- -3.8662 1.3314 -0.0773 C 0 0 0
- -5.3981 0.8507 1.6361 N 0 0 0
- -4.7484 -2.3595 0.0351 C 0 0 0
- -8.6989 1.4172 -2.3787 C 0 0 0
- -9.2260 1.3457 -0.0442 C 0 0 0
- -3.1355 2.1293 0.7895 C 0 0 0
- -4.7280 1.6019 2.4882 C 0 0 0
- -4.9708 -3.6712 0.6580 N 0 0 0
- -9.5704 1.6844 -1.3397 C 0 0 0
- -3.5783 2.2611 2.0970 C 0 0 0
- -5.9368 -4.3827 -0.1896 C 0 0 0
- -3.7022 -4.4054 0.5603 C 0 0 0
- 11.8032 -0.9212 -1.1045 C 0 0 0
- 10.6408 -0.2487 -1.1094 C 0 0 0
- 12.7526 -0.7457 0.0115 C 0 0 0
- 10.5446 1.0634 -0.4408 C 0 0 0
- 13.9785 -1.3013 -0.0530 O 0 0 0
- 12.4290 -0.1004 0.9882 O 0 0 0
- 9.3515 1.6811 -0.3375 O 0 0 0
- 11.5408 1.5864 0.0163 O 0 0 0
- -4.9636 -0.5851 0.0000 H 0 0 0
- -6.9332 -1.2595 0.0000 H 0 0 0
- -6.4321 -2.3888 0.0000 H 0 0 0
- -6.9416 1.5844 0.0000 H 0 0 0
- -8.3512 -0.1278 0.0000 H 0 0 0
- -3.2847 0.5953 0.0000 H 0 0 0
- -3.8525 -2.6378 0.0000 H 0 0 0
- -4.3536 -1.5085 0.0000 H 0 0 0
- -8.3529 2.2892 0.0000 H 0 0 0
- -9.7692 0.5809 0.0000 H 0 0 0
- -2.2314 2.3795 0.0000 H 0 0 0
- -5.3190 2.3305 0.0000 H 0 0 0
- -10.3763 2.1645 0.0000 H 0 0 0
- -3.6866 3.1929 0.0000 H 0 0 0
- -6.4931 -3.6274 0.0000 H 0 0 0
- -6.6921 -4.9390 0.0000 H 0 0 0
- -5.3805 -5.1380 0.0000 H 0 0 0
- -4.1721 -5.2173 0.0000 H 0 0 0
- -2.8903 -4.8753 0.0000 H 0 0 0
- -3.2323 -3.5935 0.0000 H 0 0 0
- 11.6437 -1.8456 0.0000 H 0 0 0
- 9.8459 -0.7468 0.0000 H 0 0 0
- 14.8329 -1.6885 0.0000 H 0 0 0
- 8.5184 2.1124 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 14 17 1 0
- 14 18 1 0
- 19 20 2 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 21 24 2 0
- 22 25 1 0
- 22 26 2 0
- 11 15 1 0
- 13 16 2 0
- 1 27 1 0
- 4 28 1 0
- 4 29 1 0
- 5 30 1 0
- 6 31 1 0
- 7 32 1 0
- 9 33 1 0
- 9 34 1 0
- 10 35 1 0
- 11 36 1 0
- 12 37 1 0
- 13 38 1 0
- 15 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 18 46 1 0
- 19 47 1 0
- 20 48 1 0
- 23 49 1 0
- 25 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-135-51-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 28 1 V2000
- -2.6028 -0.2217 0.0749 C 0 0 0
- -3.2902 -1.1038 0.9462 C 0 0 0
- -1.3480 -0.5946 -0.4368 C 0 0 0
- -3.1871 1.0128 -0.2566 C 0 0 0
- -2.7052 -2.3351 1.2830 C 0 0 0
- -4.5450 -0.7286 1.4573 C 0 0 0
- -0.8082 -1.7943 -0.0915 C 0 0 0
- -4.4011 1.3443 0.2615 C 0 0 0
- -1.4841 -2.6659 0.7676 C 0 0 0
- -5.0817 0.4727 1.1099 C 0 0 0
- 0.7650 -2.2568 -0.7365 S 0 0 0
- -5.1295 2.8931 -0.1571 S 0 0 0
- -0.9189 -3.8576 1.0946 O 0 0 0
- 1.7219 -1.7736 0.1963 O 0 0 0
- 0.6300 -3.6096 -1.1502 O 0 0 0
- 0.9879 -1.4549 -2.0107 O 0 0 0
- -5.9058 2.6523 -1.3227 O 0 0 0
- -5.6221 3.4303 1.0627 O 0 0 0
- -4.0052 3.8215 -0.5936 O 0 0 0
- 11.0876 0.5899 -0.0348 Na 0 3 0
- 19.5107 2.5289 0.5042 Na 0 3 0
- -0.7016 0.1447 0.0000 H 0 0 0
- -2.5562 1.7654 0.0000 H 0 0 0
- -3.3348 -3.0888 0.0000 H 0 0 0
- -5.1930 -1.4665 0.0000 H 0 0 0
- -6.0565 0.5916 0.0000 H 0 0 0
- -0.4981 -4.7449 0.0000 H 0 0 0
- 1.2509 -0.5087 0.0000 H 0 0 0
- -3.2480 4.4468 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 11 14 2 0
- 11 15 2 0
- 11 16 1 0
- 12 17 2 0
- 12 18 2 0
- 12 19 1 0
- 7 9 2 0
- 8 10 1 0
- 3 22 1 0
- 4 23 1 0
- 5 24 1 0
- 6 25 1 0
- 10 26 1 0
- 13 27 1 0
- 16 28 1 0
- 19 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-13849-08-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 34 1 V2000
- -0.5817 0.8717 0.0986 C 0 0 0
- -0.5484 -0.5240 0.1211 C 0 0 0
- 0.5639 1.6037 0.0382 C 0 0 0
- -2.0413 1.2804 0.1634 C 0 0 0
- 0.6779 -1.1798 0.0927 C 0 0 0
- -1.8063 -1.0421 0.1598 O 0 0 0
- 1.8030 0.9531 0.0058 C 0 0 0
- -2.7215 -0.0326 0.6173 C 0 0 2
- 1.8556 -0.4528 0.0354 C 0 0 0
- 3.0537 1.7109 -0.0592 C 0 0 0
- -4.0595 -0.1909 -0.1076 C 0 0 0
- 3.0521 -1.0792 0.0073 O 0 0 0
- 4.2225 1.0187 -0.0866 C 0 0 0
- -3.8235 -0.1918 -1.6193 C 0 0 0
- -4.7114 -1.5113 0.3077 C 0 0 0
- -4.9207 0.8954 0.2394 O 0 0 0
- 4.2026 -0.3908 -0.0507 C 0 0 0
- 5.2573 -0.9994 -0.0738 O 0 0 0
- 0.5197 2.6416 0.0000 H 0 0 0
- -1.6935 2.2593 0.0000 H 0 0 0
- -2.9942 1.6942 0.0000 H 0 0 0
- 0.7101 -2.2182 0.0000 H 0 0 0
- -3.0858 -1.0055 0.0000 H 0 0 0
- 3.0485 2.7497 0.0000 H 0 0 0
- 5.1286 1.5267 0.0000 H 0 0 0
- -3.8275 -1.2306 0.0000 H 0 0 0
- -2.7847 -0.1958 0.0000 H 0 0 0
- -3.8195 0.8470 0.0000 H 0 0 0
- -5.6429 -1.0514 0.0000 H 0 0 0
- -5.1713 -2.4428 0.0000 H 0 0 0
- -3.7799 -1.9712 0.0000 H 0 0 0
- -5.5661 1.7095 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 8 11 1 0
- 9 12 1 0
- 10 13 2 0
- 11 14 1 0
- 11 15 1 0
- 11 16 1 0
- 12 17 1 0
- 17 18 2 0
- 6 8 1 0
- 7 9 2 0
- 13 17 1 0
- 3 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 8 23 1 0
- 10 24 1 0
- 13 25 1 0
- 14 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 15 31 1 0
- 16 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-139-33-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 35 1 V2000
- -1.4981 -1.6341 0.2261 N 0 0 0
- -2.0051 -0.2769 0.4686 C 0 0 0
- -0.2103 -1.7350 0.9255 C 0 0 0
- -2.4197 -2.5562 0.9032 C 0 0 0
- -3.3520 -0.1021 -0.2358 C 0 0 0
- 0.8971 -1.2890 0.0059 C 0 0 0
- -2.3692 -3.9026 0.2281 C 0 0 0
- -3.8589 1.2552 0.0068 N 0 0 0
- 2.1523 -1.1820 0.4694 O 0 0 0
- 0.6552 -1.0277 -1.1487 O 0 0 0
- -1.7215 -4.0477 -0.7996 O 0 0 0
- -2.9760 -4.8506 0.7077 O 0 0 0
- -5.1468 1.3560 -0.6927 C 0 0 0
- -4.1507 1.3463 1.4436 C 0 0 0
- -4.9199 1.8698 -2.0912 C 0 0 0
- -4.0685 2.7856 1.8826 C 0 0 0
- -5.9330 1.8897 -2.9714 O 0 0 0
- -3.8261 2.2637 -2.4200 O 0 0 0
- -3.6652 3.6401 1.1054 O 0 0 0
- -4.4050 3.0996 3.0162 O 0 0 0
- 11.4397 0.3741 0.0595 Na 0 3 0
- 20.0426 1.3145 -0.2636 Na 0 3 0
- -1.1267 -0.1031 0.0000 H 0 0 0
- -2.0348 0.6180 0.0000 H 0 0 0
- -0.5982 -2.5420 0.0000 H 0 0 0
- 0.4018 -2.3884 0.0000 H 0 0 0
- -2.8772 -1.7865 0.0000 H 0 0 0
- -3.2785 -2.8096 0.0000 H 0 0 0
- -4.2304 -0.2758 0.0000 H 0 0 0
- -3.3224 -0.9970 0.0000 H 0 0 0
- 3.0444 -1.1059 0.0000 H 0 0 0
- -6.0013 1.6234 0.0000 H 0 0 0
- -5.3165 0.4769 0.0000 H 0 0 0
- -5.0375 1.4703 0.0000 H 0 0 0
- -4.3468 0.4727 0.0000 H 0 0 0
- -6.8282 1.9073 0.0000 H 0 0 0
- -3.4587 -5.6047 0.0000 H 0 0 0
- -5.0596 3.7105 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 15 18 2 0
- 16 19 2 0
- 16 20 1 0
- 2 23 1 0
- 2 24 1 0
- 3 25 1 0
- 3 26 1 0
- 4 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 9 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 17 36 1 0
- 12 37 1 0
- 20 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-140-64-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 75 74 1 V2000
- -14.9473 3.3729 -0.5768 C 0 0 0
- -15.9649 4.2934 -0.7926 C 0 0 0
- -13.7504 3.7782 0.0009 C 0 0 0
- -15.1247 2.0728 -0.9259 O 0 0 0
- -15.7904 5.6125 -0.4342 C 0 0 0
- -13.5690 5.0954 0.3616 C 0 0 0
- -13.9194 1.3853 -0.5844 C 0 0 0
- -14.5895 6.0232 0.1461 C 0 0 0
- -14.0536 -0.0933 -0.9541 C 0 0 0
- -14.3983 7.4385 0.5317 C 0 0 0
- -12.7631 -0.8295 -0.5885 C 0 0 0
- -13.2118 7.8423 1.1047 N 0 0 0
- -15.3519 8.3035 0.3295 N 0 0 0
- -12.8972 -2.3081 -0.9582 C 0 0 0
- -11.6068 -3.0443 -0.5925 C 0 0 0
- -11.7320 -4.4252 -0.9378 O 0 0 0
- -10.5634 -5.0237 -0.5922 C 0 0 0
- -10.3900 -6.3847 -0.8122 C 0 0 0
- -9.5417 -4.2730 -0.0246 C 0 0 0
- -9.2053 -6.9951 -0.4631 C 0 0 0
- -8.3541 -4.8771 0.3270 C 0 0 0
- -8.1785 -6.2448 0.1123 C 0 0 0
- -6.9052 -6.8968 0.4889 C 0 0 0
- -5.8925 -6.1545 1.0569 N 0 0 0
- -6.7412 -8.1733 0.2836 N 0 0 0
- 9.3718 -0.9087 1.4408 C 0 0 0
- 8.0428 0.2934 1.1590 S 0 0 0
- 10.5685 -0.2046 2.0834 C 0 0 0
- 6.9431 -0.5474 0.5264 O 0 0 0
- 7.4524 0.7171 2.3801 O 0 0 0
- 8.3751 1.2081 0.1235 O 0 0 0
- 11.6154 -1.1516 2.3054 O 0 0 0
- 23.4526 0.1957 -0.8396 C 0 0 0
- 22.1237 1.3978 -1.1215 S 0 0 0
- 24.6494 0.8998 -0.1971 C 0 0 0
- 21.0240 0.5570 -1.7541 O 0 0 0
- 21.5333 1.8215 0.0996 O 0 0 0
- 22.4560 2.3125 -2.1569 O 0 0 0
- 25.6963 -0.0472 0.0249 O 0 0 0
- -16.9309 3.9386 0.0000 H 0 0 0
- -12.9571 3.1227 0.0000 H 0 0 0
- -16.5864 6.2647 0.0000 H 0 0 0
- -12.6016 5.4464 0.0000 H 0 0 0
- -12.9182 1.1476 0.0000 H 0 0 0
- -13.5418 2.3426 0.0000 H 0 0 0
- -15.0548 0.1445 0.0000 H 0 0 0
- -14.4313 -1.0506 0.0000 H 0 0 0
- -11.7619 -1.0672 0.0000 H 0 0 0
- -12.3854 0.1278 0.0000 H 0 0 0
- -12.4376 7.1644 0.0000 H 0 0 0
- -13.0118 8.8517 0.0000 H 0 0 0
- -16.1141 8.9949 0.0000 H 0 0 0
- -13.8984 -2.0704 0.0000 H 0 0 0
- -13.2749 -3.2654 0.0000 H 0 0 0
- -10.6056 -3.2820 0.0000 H 0 0 0
- -11.2291 -2.0870 0.0000 H 0 0 0
- -11.2330 -6.9750 0.0000 H 0 0 0
- -9.6255 -3.2474 0.0000 H 0 0 0
- -9.1255 -8.0211 0.0000 H 0 0 0
- -7.5130 -4.2842 0.0000 H 0 0 0
- -4.9507 -6.5691 0.0000 H 0 0 0
- -6.0044 -5.1315 0.0000 H 0 0 0
- -6.6101 -9.1940 0.0000 H 0 0 0
- 8.6079 -1.5982 0.0000 H 0 0 0
- 9.9806 -1.7384 0.0000 H 0 0 0
- 11.3324 0.4849 0.0000 H 0 0 0
- 9.9597 0.6251 0.0000 H 0 0 0
- 6.1256 -1.1724 0.0000 H 0 0 0
- 12.3786 -1.8419 0.0000 H 0 0 0
- 22.6887 -0.4938 0.0000 H 0 0 0
- 24.0614 -0.6340 0.0000 H 0 0 0
- 25.4133 1.5893 0.0000 H 0 0 0
- 24.0406 1.7295 0.0000 H 0 0 0
- 20.2065 -0.0680 0.0000 H 0 0 0
- 26.4595 -0.7375 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 10 13 2 0
- 11 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 2 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 26 27 1 0
- 26 28 1 0
- 27 29 1 0
- 27 30 2 0
- 27 31 2 0
- 28 32 1 0
- 33 34 1 0
- 33 35 1 0
- 34 36 1 0
- 34 37 2 0
- 34 38 2 0
- 35 39 1 0
- 6 8 1 0
- 21 22 2 0
- 2 40 1 0
- 3 41 1 0
- 5 42 1 0
- 6 43 1 0
- 7 44 1 0
- 7 45 1 0
- 9 46 1 0
- 9 47 1 0
- 11 48 1 0
- 11 49 1 0
- 12 50 1 0
- 12 51 1 0
- 13 52 1 0
- 14 53 1 0
- 14 54 1 0
- 15 55 1 0
- 15 56 1 0
- 18 57 1 0
- 19 58 1 0
- 20 59 1 0
- 21 60 1 0
- 24 61 1 0
- 24 62 1 0
- 25 63 1 0
- 26 64 1 0
- 26 65 1 0
- 28 66 1 0
- 28 67 1 0
- 29 68 1 0
- 32 69 1 0
- 33 70 1 0
- 33 71 1 0
- 35 72 1 0
- 35 73 1 0
- 36 74 1 0
- 39 75 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142-04-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- -3.2650 0.8671 0.0192 C 0 0 0
- -4.0820 -0.1182 0.5596 C 0 0 0
- -2.0726 0.5140 -0.5993 C 0 0 0
- -3.6448 2.2092 0.0927 N 0 0 0
- -3.7063 -1.4446 0.4802 C 0 0 0
- -1.7029 -0.8147 -0.6753 C 0 0 0
- -2.5183 -1.7927 -0.1365 C 0 0 0
- 7.3174 0.0718 0.0826 Cl 0 0 0
- -5.0213 0.0802 0.0000 H 0 0 0
- -1.3882 1.1872 0.0000 H 0 0 0
- -2.9756 2.8974 0.0000 H 0 0 0
- -4.5754 2.4447 0.0000 H 0 0 0
- -4.3882 -2.1203 0.0000 H 0 0 0
- -0.7644 -1.0165 0.0000 H 0 0 0
- -2.2388 -2.7111 0.0000 H 0 0 0
- 8.2774 0.0718 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 5 7 1 0
- 6 7 2 0
- 2 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 8 16 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-142-47-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 18 1 V2000
- -0.7273 -0.8747 -0.5894 C 0 0 1
- -1.7242 0.0304 0.1372 C 0 0 0
- 0.4774 -1.1008 0.2874 C 0 0 0
- -1.3643 -2.1642 -0.8882 N 0 0 0
- -2.9472 0.2600 -0.7530 C 0 0 0
- 1.5260 -0.2660 0.2154 O 0 0 0
- 0.4992 -2.0334 1.0552 O 0 0 0
- -3.9292 1.1514 -0.0374 C 0 0 0
- -3.6735 1.5663 1.0848 O 0 0 0
- -4.9820 1.4603 -0.5786 O 0 0 0
- 10.0693 1.0915 -0.1963 Na 0 3 0
- -0.3118 -0.0390 0.0000 H 0 0 0
- -0.9025 0.4728 0.0000 H 0 0 0
- -1.8675 0.9526 0.0000 H 0 0 0
- -2.2956 -2.2246 0.0000 H 0 0 0
- -0.8463 -2.9405 0.0000 H 0 0 0
- -3.7689 -0.1825 0.0000 H 0 0 0
- -2.8039 -0.6622 0.0000 H 0 0 0
- 2.2561 0.3153 0.0000 H 0 0 0
- -5.8775 1.7231 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 1 0
- 8 9 2 0
- 8 10 1 0
- 1 12 1 0
- 2 13 1 0
- 2 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-143-67-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-124131 1 V2000
- -2.3879 -1.8217 -0.5737 C 0 0 2
- -3.1946 -2.5594 0.4864 C 0 0 2
- -1.1142 -2.4539 -1.0803 C 0 0 2
- -1.9276 -0.4896 -0.0383 C 0 0 0
- -3.4121 -1.5917 -1.7102 C 0 0 0
- -3.0603 -4.0692 0.3869 C 0 0 2
- -4.5922 -2.1306 0.3169 N 0 0 0
- -0.9997 -3.9517 -0.9664 C 0 0 2
- -0.0444 -1.7849 -0.3005 N 0 0 0
- -0.5328 -0.5423 0.0872 C 0 0 0
- -2.6544 0.6337 0.2979 C 0 0 0
- -4.6949 -1.2856 -0.8915 C 0 0 0
- -1.5812 -4.4575 0.3517 C 0 0 2
- -3.7188 -4.5390 -0.8987 C 0 0 0
- -3.7353 -4.7257 1.5928 C 0 0 0
- -5.4693 -3.2769 0.1239 C 0 0 0
- 0.4537 -4.3421 -1.0458 C 0 0 0
- -1.7060 -4.5580 -2.0506 O 0 0 0
- 1.0620 -1.5313 -1.2330 C 0 0 0
- 0.1747 0.5637 0.5589 C 0 0 0
- -1.9421 1.7298 0.7692 C 0 0 0
- -1.4589 -5.9031 0.4115 O 0 0 0
- -4.9752 -4.1206 -1.0345 C 0 0 0
- -2.9887 -4.3355 2.8701 C 0 0 0
- 1.0382 -4.5136 -2.2419 O 0 0 0
- 1.0928 -4.5008 -0.0327 O 0 0 0
- -0.5632 1.6940 0.8944 C 0 0 0
- -2.6854 2.9839 1.1513 C 0 0 2
- -0.4305 -6.4630 1.0679 C 0 0 0
- 2.4626 -4.7836 -2.3218 C 0 0 0
- 0.0869 2.7934 1.3586 O 0 0 0
- -4.1704 2.7496 1.0272 C 0 0 0
- -2.2876 4.1229 0.2104 C 0 0 0
- -2.3496 3.3572 2.5722 C 0 0 0
- -0.2401 -7.9576 1.0355 C 0 0 0
- 0.3424 -5.7687 1.6847 O 0 0 0
- 1.4855 2.5141 1.2706 C 0 0 0
- -4.8268 2.6614 -0.1413 C 0 0 0
- -5.0442 2.6020 2.0670 N 0 0 0
- -0.9534 3.8070 -0.4629 C 0 0 1
- -2.9757 4.3883 3.1611 O 0 0 0
- -1.5168 2.7285 3.1814 O 0 0 0
- -6.2373 2.4338 0.1760 C 0 0 0
- -4.2102 2.7762 -1.5125 C 0 0 0
- -6.3193 2.4114 1.5809 C 0 0 0
- -0.9445 2.3754 -0.9857 C 0 0 0
- -0.7366 4.7768 -1.6318 C 0 0 0
- -2.6522 4.7480 4.5301 C 0 0 0
- -7.3904 2.2538 -0.5908 C 0 0 0
- -3.1715 1.6687 -1.6883 C 0 0 0
- -7.5559 2.2200 2.1887 C 0 0 0
- -1.8844 2.1546 -2.0187 N 0 0 0
- -1.8400 4.5200 -2.6685 C 0 0 2
- -8.5940 2.0638 0.0275 C 0 0 0
- -8.6812 2.0482 1.4129 C 0 0 0
- -1.7492 3.0545 -3.1067 C 0 0 0
- -1.6358 5.4346 -3.8780 C 0 0 0
- -3.1195 4.7714 -2.0840 O 0 0 0
- -2.7380 5.1737 -4.9065 C 0 0 0
- 18.7980 1.0302 0.2328 S 0 0 0
- 17.9597 0.3223 1.2876 O 0 0 0
- 19.9973 0.1423 -0.0666 O 0 0 0
- 18.0113 1.0286 -0.9505 O 0 0 0
- 19.3234 2.1868 0.8696 O 0 0 0
- -2.3198 -2.8994 0.0000 H 0 0 0
- -1.1602 -1.5165 0.0000 H 0 0 0
- -4.0541 -2.2762 0.0000 H 0 0 0
- -3.1363 -2.4888 0.0000 H 0 0 0
- -3.5929 0.6346 0.0000 H 0 0 0
- -4.5864 -0.3534 0.0000 H 0 0 0
- -5.6334 -1.2880 0.0000 H 0 0 0
- -0.7115 -4.8102 0.0000 H 0 0 0
- -3.5794 -5.4671 0.0000 H 0 0 0
- -4.6095 -4.3843 0.0000 H 0 0 0
- -3.6841 -5.6628 0.0000 H 0 0 0
- -6.1349 -2.6153 0.0000 H 0 0 0
- -6.2112 -3.8516 0.0000 H 0 0 0
- -2.4181 -5.1693 0.0000 H 0 0 0
- 1.2717 -2.4461 0.0000 H 0 0 0
- 1.9768 -1.3216 0.0000 H 0 0 0
- 0.8523 -0.6165 0.0000 H 0 0 0
- 1.1132 0.5681 0.0000 H 0 0 0
- -5.5662 -4.8496 0.0000 H 0 0 0
- -2.5540 -5.1672 0.0000 H 0 0 0
- -2.1570 -3.9008 0.0000 H 0 0 0
- -3.4234 -3.5038 0.0000 H 0 0 0
- 2.2878 -5.7057 0.0000 H 0 0 0
- 3.3847 -4.9584 0.0000 H 0 0 0
- 2.6374 -3.8615 0.0000 H 0 0 0
- -2.0400 5.0281 0.0000 H 0 0 0
- -3.1838 4.4016 0.0000 H 0 0 0
- -1.1711 -8.0762 0.0000 H 0 0 0
- -0.1215 -8.8886 0.0000 H 0 0 0
- 0.6909 -7.8390 0.0000 H 0 0 0
- 1.3017 1.5938 0.0000 H 0 0 0
- 2.4058 2.3303 0.0000 H 0 0 0
- 1.6693 3.4344 0.0000 H 0 0 0
- -4.8967 1.6752 0.0000 H 0 0 0
- -0.0203 3.7069 0.0000 H 0 0 0
- -3.4169 3.2776 0.0000 H 0 0 0
- -4.5529 3.6499 0.0000 H 0 0 0
- -0.7988 1.4483 0.0000 H 0 0 0
- -0.0091 2.4514 0.0000 H 0 0 0
- 0.1996 4.7108 0.0000 H 0 0 0
- -0.8108 5.7124 0.0000 H 0 0 0
- -1.9544 4.1204 0.0000 H 0 0 0
- -2.0246 5.4458 0.0000 H 0 0 0
- -3.3500 5.3756 0.0000 H 0 0 0
- -7.5359 3.1809 0.0000 H 0 0 0
- -3.9339 1.1214 0.0000 H 0 0 0
- -2.7284 0.8414 0.0000 H 0 0 0
- -7.4133 1.2924 0.0000 H 0 0 0
- -8.7498 2.9893 0.0000 H 0 0 0
- -9.6071 1.8947 0.0000 H 0 0 0
- -0.9759 2.5227 0.0000 H 0 0 0
- -0.9325 3.5169 0.0000 H 0 0 0
- -0.6995 5.3699 0.0000 H 0 0 0
- -1.7124 6.3700 0.0000 H 0 0 0
- -4.0404 4.9523 0.0000 H 0 0 0
- -2.9542 6.0870 0.0000 H 0 0 0
- -3.6513 4.9575 0.0000 H 0 0 0
- -2.5218 4.2604 0.0000 H 0 0 0
- 17.2427 -0.2832 0.0000 H 0 0 0
- 20.7516 -0.4161 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 2 0
- 13 22 1 0
- 14 23 2 0
- 15 24 1 0
- 17 25 1 0
- 17 26 2 0
- 20 27 2 0
- 21 28 1 0
- 22 29 1 0
- 25 30 1 0
- 27 31 1 0
- 28 32 1 0
- 28 33 1 0
- 28 34 1 0
- 29 35 1 0
- 29 36 2 0
- 31 37 1 0
- 32 38 2 0
- 32 39 1 0
- 33 40 1 0
- 34 41 1 0
- 34 42 2 0
- 38 43 1 0
- 38 44 1 0
- 39 45 1 0
- 40 46 1 0
- 40 47 1 0
- 41 48 1 0
- 43 49 1 0
- 44 50 1 0
- 45 51 1 0
- 46 52 1 0
- 47 53 1 0
- 49 54 2 0
- 51 55 2 0
- 52 56 1 0
- 53 57 1 0
- 53 58 1 0
- 57 59 1 0
- 60 61 1 0
- 60 62 1 0
- 60 63 2 0
- 60 64 2 0
- 7 12 1 0
- 8 13 1 0
- 9 10 1 0
- 16 23 1 0
- 21 27 1 0
- 43 45 2 0
- 50 52 1 0
- 53 56 1 0
- 54 55 1 0
- 2 65 1 0
- 3 66 1 0
- 5 67 1 0
- 5 68 1 0
- 11 69 1 0
- 12 70 1 0
- 12 71 1 0
- 13 72 1 0
- 14 73 1 0
- 15 74 1 0
- 15 75 1 0
- 16 76 1 0
- 16 77 1 0
- 18 78 1 0
- 19 79 1 0
- 19 80 1 0
- 19 81 1 0
- 20 82 1 0
- 23 83 1 0
- 24 84 1 0
- 24 85 1 0
- 24 86 1 0
- 30 87 1 0
- 30 88 1 0
- 30 89 1 0
- 33 90 1 0
- 33 91 1 0
- 35 92 1 0
- 35 93 1 0
- 35 94 1 0
- 37 95 1 0
- 37 96 1 0
- 37 97 1 0
- 39 98 1 0
- 40 99 1 0
- 44100 1 0
- 44101 1 0
- 46102 1 0
- 46103 1 0
- 47104 1 0
- 47105 1 0
- 48106 1 0
- 48107 1 0
- 48108 1 0
- 49109 1 0
- 50110 1 0
- 50111 1 0
- 51112 1 0
- 54113 1 0
- 55114 1 0
- 56115 1 0
- 56116 1 0
- 57117 1 0
- 57118 1 0
- 58119 1 0
- 59120 1 0
- 59121 1 0
- 59122 1 0
- 61123 1 0
- 62124 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-144-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 7 5 1 V2000
- -2.7015 0.0000 -0.0306 C 0 0 0
- -3.4770 -0.9896 0.4192 O 0 0 0
- -1.5767 -0.2815 -0.6925 O 0 0 0
- -3.0538 1.2712 0.1767 O 0 0 0
- 7.0537 -0.0001 0.0832 Na 0 3 0
- -4.0586 -1.7318 0.0000 H 0 0 0
- -3.3056 2.1799 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 6 1 0
- 4 7 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14448-67-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- -2.3088 1.0556 -0.2960 C 0 0 0
- -3.0136 0.0008 0.2986 C 0 0 0
- -0.7569 0.3220 -0.7536 S 0 0 0
- -2.8340 2.3199 -0.4187 C 0 0 0
- -2.3556 -1.2188 0.3577 N 0 0 0
- -4.3045 0.2945 0.7680 C 0 0 0
- -1.0737 -1.3306 -0.1580 C 0 0 0
- -4.1079 2.5824 0.0574 C 0 0 0
- -3.0110 -2.3815 0.9618 C 0 0 0
- -4.8323 1.5585 0.6414 C 0 0 0
- -0.2983 -2.3753 -0.1981 N 0 0 0
- 0.9775 -2.2792 -0.7691 N 0 0 0
- 9.9812 0.6411 0.2941 Cl 0 0 0
- -2.2019 3.0856 0.0000 H 0 0 0
- -4.9438 -0.4653 0.0000 H 0 0 0
- -4.4724 3.5060 0.0000 H 0 0 0
- -3.8760 -1.8939 0.0000 H 0 0 0
- -3.4986 -3.2465 0.0000 H 0 0 0
- -2.1460 -2.8691 0.0000 H 0 0 0
- -5.8192 1.6676 0.0000 H 0 0 0
- 1.5371 -3.0994 0.0000 H 0 0 0
- 1.4080 -1.3844 0.0000 H 0 0 0
- 10.9741 0.6411 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 11 12 1 0
- 5 7 1 0
- 8 10 1 0
- 4 14 1 0
- 6 15 1 0
- 8 16 1 0
- 9 17 1 0
- 9 18 1 0
- 9 19 1 0
- 10 20 1 0
- 12 21 1 0
- 12 22 1 0
- 13 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1456-55-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 54 1 V2000
- -1.9074 0.8082 -0.3197 C 0 0 1
- -1.7569 -0.2871 0.6658 N 0 0 0
- -0.5324 1.4299 -0.5206 C 0 0 1
- -2.4650 0.1757 -1.5747 C 0 0 0
- -3.1036 2.0061 0.3236 S 0 0 0
- -0.4055 -0.2824 1.1999 C 0 0 2
- -2.8079 -1.1141 0.8963 C 0 0 0
- 0.2031 1.1058 0.8058 C 0 0 1
- 0.1314 0.7776 -1.6050 O 0 0 0
- -3.5368 -0.6497 -1.3692 N 0 0 0
- -1.9998 0.3837 -2.6753 O 0 0 0
- -4.7268 0.7747 0.5678 S 0 0 0
- 0.4351 -1.2162 0.4077 N 0 0 0
- -4.0180 -0.8050 0.0175 C 0 0 2
- -2.7882 -2.0074 1.7164 O 0 0 0
- 1.6297 0.7461 0.4939 C 0 0 0
- 0.0707 2.1236 1.8000 O 0 0 0
- -4.1817 -1.3513 -2.4819 C 0 0 0
- 1.6961 -0.6355 0.2856 C 0 0 0
- 0.6048 -2.4264 1.2229 C 0 0 0
- -5.0495 -1.9315 0.1062 C 0 0 0
- 2.7481 1.5545 0.4056 C 0 0 0
- 2.9167 -1.2528 -0.0041 C 0 0 0
- 3.9575 0.9363 0.1106 C 0 0 0
- 4.0405 -0.4323 -0.0859 C 0 0 0
- 3.0039 -2.5973 -0.1976 O 0 0 0
- 5.3956 1.9006 -0.0149 Cl 0 0 0
- 5.2494 -0.9897 -0.3653 O 0 0 0
- 3.8967 -3.1008 0.7981 C 0 0 0
- 5.4640 -0.8286 -1.7689 C 0 0 0
- -0.5372 2.4419 0.0000 H 0 0 0
- -0.8156 -1.2076 0.0000 H 0 0 0
- 0.8532 0.0683 0.0000 H 0 0 0
- -0.0598 3.1272 0.0000 H 0 0 0
- -4.9268 -0.6664 0.0000 H 0 0 0
- -4.8666 -2.0964 0.0000 H 0 0 0
- -3.4366 -2.0362 0.0000 H 0 0 0
- -0.3974 -2.5669 0.0000 H 0 0 0
- 0.7453 -3.4286 0.0000 H 0 0 0
- 1.6070 -2.2859 0.0000 H 0 0 0
- -5.7959 -1.2481 0.0000 H 0 0 0
- -5.7329 -2.6779 0.0000 H 0 0 0
- -4.3031 -2.6149 0.0000 H 0 0 0
- 2.6706 2.5636 0.0000 H 0 0 0
- 3.3996 -3.9823 0.0000 H 0 0 0
- 4.7782 -3.5979 0.0000 H 0 0 0
- 4.3938 -2.2193 0.0000 H 0 0 0
- 6.0716 -1.6379 0.0000 H 0 0 0
- 6.2733 -0.2210 0.0000 H 0 0 0
- 4.8564 -0.0193 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 2 0
- 8 16 1 0
- 8 17 1 0
- 10 18 1 0
- 13 19 1 0
- 13 20 1 0
- 14 21 1 0
- 16 22 1 0
- 19 23 1 0
- 22 24 2 0
- 23 25 2 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 26 29 1 0
- 28 30 1 0
- 6 8 1 0
- 10 14 1 0
- 14 12 1 0
- 16 19 2 0
- 24 25 1 0
- 3 31 1 0
- 6 32 1 0
- 9 33 1 0
- 17 34 1 0
- 18 35 1 0
- 18 36 1 0
- 18 37 1 0
- 20 38 1 0
- 20 39 1 0
- 20 40 1 0
- 21 41 1 0
- 21 42 1 0
- 21 43 1 0
- 22 44 1 0
- 29 45 1 0
- 29 46 1 0
- 29 47 1 0
- 30 48 1 0
- 30 49 1 0
- 30 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-14919-77-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 34 1 V2000
- -1.2739 -1.5643 0.3524 C 0 0 0
- -2.0532 -2.6943 0.5475 C 0 0 0
- -0.0169 -1.6782 -0.2118 C 0 0 0
- -1.8003 -0.2094 0.7500 C 0 0 0
- -1.5691 -3.9429 0.1751 C 0 0 0
- -3.2894 -2.5813 1.1029 O 0 0 0
- 0.4681 -2.9179 -0.5835 C 0 0 0
- -2.5174 0.3893 -0.3837 N 0 0 0
- -0.3051 -4.0531 -0.3916 C 0 0 0
- -2.3307 -5.0546 0.3654 O 0 0 0
- -2.9679 1.6085 0.0366 N 0 0 0
- 0.1733 -5.2726 -0.7572 O 0 0 0
- -2.5706 2.7291 -0.5981 C 0 0 0
- -3.0677 4.0742 -0.1345 C 0 0 0
- -1.8131 2.6551 -1.5424 O 0 0 0
- -2.1097 4.6370 0.9174 C 0 0 0
- -3.1331 4.9930 -1.2788 N 0 0 0
- -2.5810 5.9124 1.3570 O 0 0 0
- 12.6918 1.1004 0.1266 Cl 0 0 0
- 0.5708 -0.8956 0.0000 H 0 0 0
- -0.8218 -0.1946 0.0000 H 0 0 0
- -1.4737 0.7132 0.0000 H 0 0 0
- -4.2640 -2.4922 0.0000 H 0 0 0
- 1.4406 -3.0278 0.0000 H 0 0 0
- -3.3170 -0.1750 0.0000 H 0 0 0
- -2.8838 -5.8620 0.0000 H 0 0 0
- -3.9465 1.6020 0.0000 H 0 0 0
- 0.5307 -6.1837 0.0000 H 0 0 0
- -4.0243 3.8678 0.0000 H 0 0 0
- -1.6647 3.7654 0.0000 H 0 0 0
- -1.2133 5.0298 0.0000 H 0 0 0
- -2.3224 5.5413 0.0000 H 0 0 0
- -4.0132 5.4209 0.0000 H 0 0 0
- -2.9202 6.8304 0.0000 H 0 0 0
- 13.6705 1.1004 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 8 11 1 0
- 9 12 1 0
- 11 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 14 17 1 0
- 16 18 1 0
- 7 9 1 0
- 3 20 1 0
- 4 21 1 0
- 4 22 1 0
- 6 23 1 0
- 7 24 1 0
- 8 25 1 0
- 10 26 1 0
- 11 27 1 0
- 12 28 1 0
- 14 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 19 35 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-151-21-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 42 1 V2000
- 0.5662 -0.7742 -0.7268 C 0 0 0
- -0.6097 -0.4613 0.2007 C 0 0 0
- 1.8487 -0.8953 0.0987 C 0 0 0
- -1.8922 -0.3402 -0.6248 C 0 0 0
- 2.9469 -1.1876 -0.7676 O 0 0 0
- -3.0680 -0.0273 0.3027 C 0 0 0
- 4.1845 -1.2945 0.1118 S 0 0 0
- -4.3505 0.0938 -0.5227 C 0 0 0
- 3.7985 -2.0859 1.2271 O 0 0 0
- 5.2606 -1.5848 -0.7697 O 0 0 0
- 4.4687 0.0934 0.6681 O 0 0 0
- -5.5264 0.4067 0.4048 C 0 0 0
- -6.8089 0.5278 -0.4207 C 0 0 0
- -7.9848 0.8408 0.5068 C 0 0 0
- -9.2673 0.9618 -0.3187 C 0 0 0
- -10.4431 1.2748 0.6088 C 0 0 0
- -11.7256 1.3958 -0.2167 C 0 0 0
- 13.6572 3.5524 -0.0352 Na 0 3 0
- -0.0476 -1.4624 0.0000 H 0 0 0
- 0.9032 -1.6326 0.0000 H 0 0 0
- 0.0041 0.2269 0.0000 H 0 0 0
- -0.9467 0.3971 0.0000 H 0 0 0
- 2.4626 -0.2072 0.0000 H 0 0 0
- 1.5117 -0.0369 0.0000 H 0 0 0
- -2.5060 -1.0284 0.0000 H 0 0 0
- -1.5552 -1.1986 0.0000 H 0 0 0
- -2.4542 0.6609 0.0000 H 0 0 0
- -3.4050 0.8311 0.0000 H 0 0 0
- -4.9643 -0.5944 0.0000 H 0 0 0
- -4.0135 -0.7646 0.0000 H 0 0 0
- -4.9126 1.0949 0.0000 H 0 0 0
- -5.8634 1.2651 0.0000 H 0 0 0
- -7.4228 -0.1603 0.0000 H 0 0 0
- -6.4719 -0.3306 0.0000 H 0 0 0
- -7.3710 1.5290 0.0000 H 0 0 0
- -8.3218 1.6991 0.0000 H 0 0 0
- -9.8812 0.2737 0.0000 H 0 0 0
- -8.9303 0.1035 0.0000 H 0 0 0
- -9.8292 1.9629 0.0000 H 0 0 0
- -10.7801 2.1331 0.0000 H 0 0 0
- -11.6390 2.3139 0.0000 H 0 0 0
- -12.6437 1.4824 0.0000 H 0 0 0
- -11.8122 0.4777 0.0000 H 0 0 0
- 4.6537 0.9968 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 2 0
- 7 10 2 0
- 7 11 1 0
- 8 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 16 17 1 0
- 1 19 1 0
- 1 20 1 0
- 2 21 1 0
- 2 22 1 0
- 3 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 6 27 1 0
- 6 28 1 0
- 8 29 1 0
- 8 30 1 0
- 12 31 1 0
- 12 32 1 0
- 13 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 15 38 1 0
- 16 39 1 0
- 16 40 1 0
- 17 41 1 0
- 17 42 1 0
- 17 43 1 0
- 11 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-15307-79-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -1.7418 0.5208 -0.6037 C 0 0 0
- -2.7508 1.3952 -0.2189 C 0 0 0
- -0.7073 0.2119 0.2828 N 0 0 0
- -1.7672 -0.0499 -1.8700 C 0 0 0
- -3.7720 1.6980 -1.0975 C 0 0 0
- -2.7308 2.0120 1.1560 C 0 0 0
- 0.3074 -0.6684 -0.1062 C 0 0 0
- -2.7946 0.2534 -2.7418 C 0 0 0
- -3.7914 1.1320 -2.3594 C 0 0 0
- -3.4804 1.1242 2.1157 C 0 0 0
- 1.4531 -0.1814 -0.7245 C 0 0 0
- 0.1754 -2.0314 0.1296 C 0 0 0
- -3.5834 1.4444 3.2920 O 0 0 0
- -3.9859 0.0832 1.7185 O 0 0 0
- 2.4539 -1.0542 -1.1071 C 0 0 0
- 1.6264 1.5211 -1.0163 Cl 0 0 0
- 1.1807 -2.8984 -0.2559 C 0 0 0
- -1.2501 -2.6447 0.9078 Cl 0 0 0
- 2.3166 -2.4108 -0.8754 C 0 0 0
- 12.9244 1.1455 0.9793 Na 0 3 0
- -0.2593 1.0273 0.0000 H 0 0 0
- -1.2269 -0.8073 0.0000 H 0 0 0
- -4.3157 2.4530 0.0000 H 0 0 0
- -1.8337 2.2586 0.0000 H 0 0 0
- -3.2320 2.7958 0.0000 H 0 0 0
- -3.2445 -0.5610 0.0000 H 0 0 0
- -4.6458 0.7637 0.0000 H 0 0 0
- 3.3192 -0.7122 0.0000 H 0 0 0
- 1.0388 -3.8179 0.0000 H 0 0 0
- 3.0667 -2.9613 0.0000 H 0 0 0
- -4.3923 -0.7537 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 2 0
- 10 13 2 0
- 10 14 1 0
- 11 15 2 0
- 11 16 1 0
- 12 17 1 0
- 12 18 1 0
- 15 19 1 0
- 8 9 2 0
- 17 19 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 15 28 1 0
- 17 29 1 0
- 19 30 1 0
- 14 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1605-06-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 30 1 V2000
- 0.7647 -2.0775 -0.5048 C 0 0 1
- -0.7653 -2.0772 -0.5051 C 0 0 1
- 1.2672 -0.6835 -0.2306 C 0 0 0
- -0.0006 -2.5587 0.6531 N 0 0 0
- -1.2674 -0.6830 -0.2310 C 0 0 0
- 1.5174 -0.2819 1.0685 C 0 0 0
- 1.4834 0.1918 -1.2782 C 0 0 0
- -1.4818 0.1927 -1.2786 C 0 0 0
- -1.5189 -0.2817 1.0679 C 0 0 0
- 1.9783 0.9966 1.3201 C 0 0 0
- 1.9444 1.4707 -1.0266 C 0 0 0
- -1.9424 1.4719 -1.0272 C 0 0 0
- -1.9794 0.9970 1.3193 C 0 0 0
- 2.1891 1.8740 0.2726 C 0 0 0
- -2.1884 1.8749 0.2718 C 0 0 0
- 1.2927 -2.5025 0.0000 H 0 0 0
- -1.2935 -2.5019 0.0000 H 0 0 0
- -0.0008 -3.2364 0.0000 H 0 0 0
- 2.1272 -0.5777 0.0000 H 0 0 0
- 0.8347 0.3882 0.0000 H 0 0 0
- -0.8329 0.3884 0.0000 H 0 0 0
- -2.1284 -0.5782 0.0000 H 0 0 0
- 2.6276 0.8022 0.0000 H 0 0 0
- 1.3329 1.7628 0.0000 H 0 0 0
- -1.3312 1.7648 0.0000 H 0 0 0
- -2.6289 0.8034 0.0000 H 0 0 0
- 2.4471 2.5007 0.0000 H 0 0 0
- -2.4466 2.5015 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 2 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 8 12 1 0
- 9 13 2 0
- 10 14 1 0
- 12 15 2 0
- 2 4 1 0
- 11 14 2 0
- 13 15 1 0
- 1 16 1 0
- 2 17 1 0
- 4 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 15 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-17372-87-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 40 1 V2000
- -1.4469 -1.2436 -0.3625 C 0 0 0
- -2.4378 -0.2489 -0.5536 C 0 0 0
- -0.2040 -0.8495 0.1931 C 0 0 0
- -1.7037 -2.6495 -0.7255 C 0 0 0
- -2.1596 1.0872 -0.1892 C 0 0 0
- -3.6882 -0.5820 -1.1008 C 0 0 0
- 0.0055 0.5047 0.5345 C 0 0 0
- 0.8151 -1.7931 0.4045 C 0 0 0
- -2.2572 -3.5404 0.2230 C 0 0 0
- -1.4081 -3.1086 -2.0078 C 0 0 0
- -0.9639 1.4208 0.3371 O 0 0 0
- -3.1336 2.0583 -0.3783 C 0 0 0
- -4.6300 0.3859 -1.2787 C 0 0 0
- 1.2250 0.8859 1.0786 C 0 0 0
- 2.0043 -1.3986 0.9389 C 0 0 0
- -2.4939 -4.8686 -0.1376 C 0 0 0
- -2.5798 -3.0730 1.5759 C 0 0 0
- -1.6508 -4.4284 -2.3433 C 0 0 0
- -4.3609 1.7098 -0.9191 C 0 0 0
- -2.7857 3.8542 0.1008 Br 0 0 0
- -6.3124 -0.0642 -2.0154 Br 0 0 0
- 2.2174 -0.0595 1.2798 C 0 0 0
- 1.5307 2.6931 1.5436 Br 0 0 0
- 3.3747 -2.6702 1.2232 Br 0 0 0
- -2.1872 -5.3028 -1.4138 C 0 0 0
- -3.1030 -3.9199 2.4691 O 0 0 0
- -2.3505 -1.7998 1.9160 O 0 0 0
- -5.3095 2.6618 -1.1016 O 0 0 0
- 3.4071 0.3175 1.8110 O 0 0 0
- 13.8543 0.3246 -0.9817 Na 0 3 0
- 22.2180 1.1937 -3.0537 Na 0 3 0
- -3.9562 -1.5529 0.0000 H 0 0 0
- 0.6019 -2.7775 0.0000 H 0 0 0
- -0.4200 -2.9133 0.0000 H 0 0 0
- -3.4770 -5.0877 0.0000 H 0 0 0
- -0.7103 -4.7889 0.0000 H 0 0 0
- -2.1546 -6.3095 0.0000 H 0 0 0
- -2.1720 -0.8086 0.0000 H 0 0 0
- 4.3672 0.6218 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 2 0
- 7 14 1 0
- 8 15 2 0
- 9 16 1 0
- 9 17 1 0
- 10 18 2 0
- 12 19 1 0
- 12 20 1 0
- 13 21 1 0
- 14 22 2 0
- 14 23 1 0
- 15 24 1 0
- 16 25 2 0
- 17 26 2 0
- 17 27 1 0
- 19 28 2 0
- 22 29 1 0
- 7 11 1 0
- 13 19 1 0
- 15 22 1 0
- 18 25 1 0
- 6 32 1 0
- 8 33 1 0
- 10 34 1 0
- 16 35 1 0
- 18 36 1 0
- 25 37 1 0
- 27 38 1 0
- 29 39 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-1818-71-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- 0.5521 -0.5601 0.0600 C 0 0 0
- -0.5171 0.2575 0.2565 N 0 0 0
- 1.5750 -0.0726 0.8689 C 0 0 0
- 0.7851 -1.6704 -0.7081 N 0 0 0
- -1.8286 0.1370 -0.3851 C 0 0 2
- -0.1457 1.2105 1.1595 C 0 0 0
- 1.0894 1.0136 1.5195 N 0 0 0
- 2.8215 -0.7439 0.8621 C 0 0 0
- 1.9922 -2.2676 -0.6765 C 0 0 0
- -2.4413 1.4416 -0.4768 O 0 0 0
- -2.7735 -0.6798 0.5241 C 0 0 1
- 2.9797 -1.8114 0.0907 N 0 0 0
- 3.8568 -0.2940 1.6461 N 0 0 0
- 2.1839 -3.2555 -1.3657 O 0 0 0
- -3.8578 1.1889 -0.6012 C 0 0 1
- -4.1391 0.0282 0.3786 C 0 0 1
- -2.8744 -2.0161 0.0280 O 0 0 0
- -4.6377 2.4290 -0.1601 C 0 0 0
- -5.0821 -0.8717 -0.2071 O 0 0 0
- -4.3086 3.5271 -1.0132 O 0 0 0
- 13.1854 2.8653 -0.9450 O 0 0 0
- 0.0441 -2.2445 0.0000 H 0 0 0
- -1.4617 -0.7256 0.0000 H 0 0 0
- -0.6119 2.0237 0.0000 H 0 0 0
- -1.9363 -1.1015 0.0000 H 0 0 0
- 4.6102 -0.8517 0.0000 H 0 0 0
- 3.9631 0.6373 0.0000 H 0 0 0
- -4.7829 1.0379 0.0000 H 0 0 0
- -4.9511 0.4966 0.0000 H 0 0 0
- -2.9450 -2.9508 0.0000 H 0 0 0
- -5.4462 2.9034 0.0000 H 0 0 0
- -5.2902 1.7560 0.0000 H 0 0 0
- -5.7602 -1.5189 0.0000 H 0 0 0
- -4.0395 4.4250 0.0000 H 0 0 0
- 12.2480 2.8653 0.0000 H 0 0 0
- 14.1228 2.8653 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 5 2 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 8 12 2 0
- 8 13 1 0
- 9 14 2 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 6 7 2 0
- 9 12 1 0
- 15 16 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 11 25 1 0
- 13 26 1 0
- 13 27 1 0
- 15 28 1 0
- 16 29 1 0
- 17 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 20 34 1 0
- 21 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-18296-45-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 64 1 V2000
- 2.3143 1.3981 -0.6015 C 0 0 2
- 1.1609 0.4461 -0.9531 C 0 0 2
- 1.7438 2.4953 0.3052 C 0 0 2
- 3.4224 1.6969 -1.6054 C 0 0 0
- 3.6416 0.9125 -0.4299 O 0 0 0
- -0.1198 1.2751 -0.7002 C 0 0 2
- 1.1668 -0.7276 0.0295 C 0 0 1
- 0.2522 2.1586 0.5121 C 0 0 0
- 1.8622 3.7814 -0.3583 O 0 0 0
- -1.2368 0.3497 -0.3151 C 0 0 0
- 0.0791 -1.5997 -0.2544 O 0 0 0
- 2.4166 -1.4563 -0.0945 O 0 0 0
- 2.0150 4.8998 0.3682 C 0 0 0
- -1.0763 -0.9274 -0.1252 C 0 0 0
- -2.6165 0.9300 -0.1397 C 0 0 0
- 2.6453 -2.5323 0.6747 C 0 0 0
- 2.1378 6.2346 -0.3204 C 0 0 0
- 2.0542 4.8362 1.5741 O 0 0 0
- -3.5422 -0.1259 0.2298 O 0 0 0
- 3.9423 -3.2886 0.5460 C 0 0 0
- 1.8112 -2.8944 1.4704 O 0 0 0
- -4.8369 0.1596 0.4396 C 0 0 0
- 3.6476 -4.7571 0.2335 C 0 0 0
- -5.7977 -0.9363 0.8231 C 0 0 0
- -5.2320 1.2953 0.3209 O 0 0 0
- 3.2986 -4.9029 -1.2490 C 0 0 0
- 4.8812 -5.6040 0.5527 C 0 0 0
- -6.8452 -1.1049 -0.2793 C 0 0 0
- -6.2371 -1.8867 -1.4454 C 0 0 0
- -8.0495 -1.8693 0.2743 C 0 0 0
- 2.0652 0.0227 0.0000 H 0 0 0
- 2.7236 2.6876 0.0000 H 0 0 0
- 4.3848 1.9627 0.0000 H 0 0 0
- 3.1595 2.6601 0.0000 H 0 0 0
- -0.9214 1.8704 0.0000 H 0 0 0
- 0.2656 -0.2978 0.0000 H 0 0 0
- 0.2371 3.1569 0.0000 H 0 0 0
- -0.7280 2.3488 0.0000 H 0 0 0
- -1.9091 -1.4783 0.0000 H 0 0 0
- -2.1331 1.8037 0.0000 H 0 0 0
- -3.4334 1.5041 0.0000 H 0 0 0
- 3.1321 6.1431 0.0000 H 0 0 0
- 2.2293 7.2289 0.0000 H 0 0 0
- 1.1435 6.3261 0.0000 H 0 0 0
- 4.8938 -3.5913 0.0000 H 0 0 0
- 4.3476 -2.3761 0.0000 H 0 0 0
- 2.8754 -4.1242 0.0000 H 0 0 0
- -5.9306 -1.9259 0.0000 H 0 0 0
- -4.8888 -1.3495 0.0000 H 0 0 0
- 2.9137 -3.9816 0.0000 H 0 0 0
- 2.3773 -5.2878 0.0000 H 0 0 0
- 3.6835 -5.8242 0.0000 H 0 0 0
- 4.3161 -6.4271 0.0000 H 0 0 0
- 5.7043 -6.1691 0.0000 H 0 0 0
- 5.4463 -4.7809 0.0000 H 0 0 0
- -7.1993 -0.1714 0.0000 H 0 0 0
- -7.0252 -2.4997 0.0000 H 0 0 0
- -5.6241 -2.6748 0.0000 H 0 0 0
- -5.4490 -1.2737 0.0000 H 0 0 0
- -8.5846 -1.0263 0.0000 H 0 0 0
- -8.8925 -2.4044 0.0000 H 0 0 0
- -7.5144 -2.7123 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 10 14 2 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 13 18 2 0
- 15 19 1 0
- 16 20 1 0
- 16 21 2 0
- 19 22 1 0
- 20 23 1 0
- 22 24 1 0
- 22 25 2 0
- 23 26 1 0
- 23 27 1 0
- 24 28 1 0
- 28 29 1 0
- 28 30 1 0
- 4 5 1 0
- 6 8 1 0
- 11 14 1 0
- 2 31 1 0
- 3 32 1 0
- 4 33 1 0
- 4 34 1 0
- 6 35 1 0
- 7 36 1 0
- 8 37 1 0
- 8 38 1 0
- 14 39 1 0
- 15 40 1 0
- 15 41 1 0
- 17 42 1 0
- 17 43 1 0
- 17 44 1 0
- 20 45 1 0
- 20 46 1 0
- 23 47 1 0
- 24 48 1 0
- 24 49 1 0
- 26 50 1 0
- 26 51 1 0
- 26 52 1 0
- 27 53 1 0
- 27 54 1 0
- 27 55 1 0
- 28 56 1 0
- 29 57 1 0
- 29 58 1 0
- 29 59 1 0
- 30 60 1 0
- 30 61 1 0
- 30 62 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-18559-59-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 50 51 1 V2000
- 0.5451 -1.6454 0.4156 C 0 0 0
- -0.6698 -0.7848 0.6405 C 0 0 2
- 1.6568 -1.5488 1.2269 C 0 0 0
- 0.5322 -2.5562 -0.6304 C 0 0 0
- -1.2459 -0.3532 -0.7095 C 0 0 0
- -0.3274 0.4022 1.4271 N 0 0 0
- 2.7595 -2.3550 0.9951 C 0 0 0
- 1.6972 -0.5708 2.3742 C 0 0 0
- 1.6300 -3.3643 -0.8667 C 0 0 0
- -2.5630 0.3466 -0.4930 C 0 0 0
- 0.2797 -0.0804 2.6756 C 0 0 0
- 2.7533 -3.2610 -0.0511 C 0 0 0
- 1.6124 -4.2556 -1.8937 O 0 0 0
- -2.6122 1.7277 -0.4578 C 0 0 0
- -3.7192 -0.3941 -0.3358 C 0 0 0
- 3.8366 -4.0514 -0.2770 O 0 0 0
- -3.8218 2.3753 -0.2588 C 0 0 0
- -4.9332 0.2460 -0.1363 C 0 0 0
- -4.9861 1.6340 -0.0946 C 0 0 0
- -3.8691 3.7340 -0.2238 O 0 0 0
- -6.0703 -0.4837 0.0187 O 0 0 0
- -6.1754 2.2658 0.1014 O 0 0 0
- -2.5322 4.1990 -0.4197 C 0 0 0
- -5.6939 -1.8593 -0.0714 C 0 0 0
- -6.7445 2.4851 -1.1910 C 0 0 0
- 14.3168 3.0519 -0.4223 Cl 0 0 0
- -1.2702 -1.6089 0.0000 H 0 0 0
- -0.3810 -3.0098 0.0000 H 0 0 0
- -0.3303 0.0956 0.0000 H 0 0 0
- -1.2293 0.6663 0.0000 H 0 0 0
- -0.6376 1.3735 0.0000 H 0 0 0
- 3.6703 -1.8966 0.0000 H 0 0 0
- 2.7071 -0.7116 0.0000 H 0 0 0
- 1.9354 0.4206 0.0000 H 0 0 0
- -0.6207 -0.5588 0.0000 H 0 0 0
- 0.3588 -1.0970 0.0000 H 0 0 0
- 1.5923 -5.2750 0.0000 H 0 0 0
- -1.7469 2.2671 0.0000 H 0 0 0
- -3.6761 -1.4128 0.0000 H 0 0 0
- 4.6603 -4.6524 0.0000 H 0 0 0
- -2.1972 3.2359 0.0000 H 0 0 0
- -1.5691 4.5340 0.0000 H 0 0 0
- -2.8672 5.1621 0.0000 H 0 0 0
- -6.6774 -2.1284 0.0000 H 0 0 0
- -5.4248 -2.8428 0.0000 H 0 0 0
- -4.7104 -1.5902 0.0000 H 0 0 0
- -6.3779 3.4365 0.0000 H 0 0 0
- -7.6959 2.8517 0.0000 H 0 0 0
- -7.1111 1.5337 0.0000 H 0 0 0
- 15.3364 3.0519 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 2 0
- 9 13 1 0
- 10 14 1 0
- 10 15 2 0
- 12 16 1 0
- 14 17 2 0
- 15 18 1 0
- 17 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 22 25 1 0
- 8 11 1 0
- 9 12 1 0
- 18 19 2 0
- 2 27 1 0
- 4 28 1 0
- 5 29 1 0
- 5 30 1 0
- 6 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 11 35 1 0
- 11 36 1 0
- 13 37 1 0
- 14 38 1 0
- 15 39 1 0
- 16 40 1 0
- 23 41 1 0
- 23 42 1 0
- 23 43 1 0
- 24 44 1 0
- 24 45 1 0
- 24 46 1 0
- 25 47 1 0
- 25 48 1 0
- 25 49 1 0
- 26 50 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1934-21-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 46 45 1 V2000
- -5.6636 -0.8854 0.4908 N 0 0 0
- -6.5641 0.1714 0.3143 C 0 0 0
- -4.6180 -0.8338 1.3416 C 0 0 0
- -5.7538 -1.9945 -0.1330 N 0 0 0
- -7.0361 0.4789 -0.9551 C 0 0 0
- -6.9921 0.9115 1.4093 C 0 0 0
- -3.9406 -2.1867 1.1940 C 0 0 0
- -4.2919 0.0848 2.0620 O 0 0 0
- -4.8242 -2.8641 0.1608 C 0 0 0
- -7.9250 1.5222 -1.1257 C 0 0 0
- -7.8808 1.9532 1.2318 C 0 0 0
- -2.5952 -2.0017 0.6446 N 0 0 0
- -4.6750 -4.1570 -0.3664 C 0 0 0
- -8.3450 2.2601 -0.0345 C 0 0 0
- -1.7536 -1.3435 1.2739 N 0 0 0
- -5.5474 -4.6150 -1.2772 O 0 0 0
- -3.6599 -4.9345 0.0407 O 0 0 0
- -9.4786 3.5906 -0.2566 S 0 0 0
- -0.4950 -1.1704 0.7600 C 0 0 0
- -10.7736 3.0204 -0.1254 O 0 0 0
- -8.9702 4.6651 0.5220 O 0 0 0
- -9.3709 4.0429 -1.7059 O 0 0 0
- 0.4549 -0.4299 1.4659 C 0 0 0
- -0.1552 -1.7389 -0.4694 C 0 0 0
- 1.7202 -0.2600 0.9429 C 0 0 0
- 1.1134 -1.5612 -0.9806 C 0 0 0
- 2.0486 -0.8215 -0.2781 C 0 0 0
- 3.6668 -0.5991 -0.9388 S 0 0 0
- 4.4370 -1.6880 -0.4487 O 0 0 0
- 3.4826 -0.2731 -2.3096 O 0 0 0
- 4.2547 0.6473 -0.2928 O 0 0 0
- 14.4712 0.3454 -0.2235 Na 0 3 0
- 23.0854 1.1731 0.1104 Na 0 3 0
- 31.6995 2.0008 0.4442 Na 0 3 0
- -7.6326 -0.1995 0.0000 H 0 0 0
- -6.2545 1.4329 0.0000 H 0 0 0
- -3.5927 -3.0203 0.0000 H 0 0 0
- -8.6646 1.0036 0.0000 H 0 0 0
- -7.2822 2.6297 0.0000 H 0 0 0
- 0.1049 0.4029 0.0000 H 0 0 0
- -0.5452 -2.5537 0.0000 H 0 0 0
- 2.1164 0.5518 0.0000 H 0 0 0
- 1.4686 -2.3917 0.0000 H 0 0 0
- -2.9428 -5.4838 0.0000 H 0 0 0
- -9.1617 4.9217 0.0000 H 0 0 0
- 4.6401 1.4643 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 9 13 1 0
- 10 14 2 0
- 12 15 2 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 18 20 2 0
- 18 21 2 0
- 18 22 1 0
- 19 23 2 0
- 19 24 1 0
- 23 25 1 0
- 24 26 2 0
- 25 27 2 0
- 27 28 1 0
- 28 29 2 0
- 28 30 2 0
- 28 31 1 0
- 7 9 1 0
- 11 14 1 0
- 26 27 1 0
- 5 35 1 0
- 6 36 1 0
- 7 37 1 0
- 10 38 1 0
- 11 39 1 0
- 23 40 1 0
- 24 41 1 0
- 25 42 1 0
- 26 43 1 0
- 17 44 1 0
- 22 45 1 0
- 31 46 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-1947-37-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 94 97 1 V2000
- -3.2964 -2.4705 0.2208 C 0 0 0
- -2.1032 -1.7207 0.6207 C 0 0 0
- -3.6216 -3.2951 1.3131 C 0 0 0
- -4.0776 -2.5063 -0.9360 C 0 0 0
- -1.3658 -0.7007 -0.2081 C 0 0 0
- -1.7917 -2.1139 1.8659 C 0 0 0
- -2.6879 -3.0542 2.2960 N 0 0 0
- -4.7267 -4.1358 1.2271 C 0 0 0
- -5.1590 -3.3390 -0.9986 C 0 0 0
- -1.8517 0.7027 0.1595 C 0 0 1
- -5.4868 -4.1513 0.0784 C 0 0 0
- -1.0006 1.7290 -0.5431 C 0 0 0
- -3.2481 0.8601 -0.2547 N 0 0 0
- 0.3269 1.7739 -0.3148 N 0 0 0
- -1.5103 2.5145 -1.3138 O 0 0 0
- -4.2434 0.5379 0.5950 C 0 0 0
- 1.1542 2.7715 -0.9978 C 0 0 2
- -5.5267 0.6826 0.2143 O 0 0 0
- -3.9826 0.1169 1.7046 O 0 0 0
- 2.5435 2.2220 -1.1950 C 0 0 0
- 1.2243 4.0429 -0.1496 C 0 0 0
- -6.5991 0.3354 1.1297 C 0 0 0
- 3.0977 1.4360 -0.2507 N 0 0 0
- 3.1630 2.4870 -2.2034 O 0 0 0
- 1.7729 5.1921 -0.9977 C 0 0 0
- -7.9280 0.5877 0.4654 C 0 0 0
- 4.4482 0.9018 -0.4424 C 0 0 2
- 1.8560 6.6996 0.0080 S 0 0 0
- -8.8201 -0.4533 0.2864 C 0 0 0
- -8.2573 1.8609 0.0401 C 0 0 0
- 4.5684 -0.4249 0.2623 C 0 0 0
- 5.4710 1.8813 0.1367 C 0 0 0
- 2.5209 7.8597 -1.2178 C 0 0 0
- -10.0389 -0.2219 -0.3229 C 0 0 0
- -9.4765 2.0924 -0.5694 C 0 0 0
- 5.3060 -1.4128 -0.2822 N 0 0 0
- 4.0012 -0.6036 1.3193 O 0 0 0
- 5.1985 2.0823 1.6052 C 0 0 0
- -10.3660 1.0505 -0.7535 C 0 0 0
- 5.4228 -2.7025 0.4028 C 0 0 1
- 5.9143 2.9770 2.3043 O 0 0 0
- 4.3356 1.4381 2.1532 O 0 0 0
- 5.6139 -3.8137 -0.6313 C 0 0 0
- 6.6086 -2.6720 1.3323 C 0 0 0
- 4.3497 -3.9740 -1.4358 C 0 0 0
- 6.6012 -3.4121 2.4587 N 0 0 0
- 7.5696 -1.9814 1.0668 O 0 0 0
- 4.2361 -3.3677 -2.6731 C 0 0 0
- 3.3060 -4.7319 -0.9391 C 0 0 0
- 3.0767 -3.5147 -3.4109 C 0 0 0
- 2.1462 -4.8790 -1.6772 C 0 0 0
- 2.0304 -4.2681 -2.9116 C 0 0 0
- -4.4022 -1.6199 0.0000 H 0 0 0
- -0.7286 -1.3972 0.0000 H 0 0 0
- -0.5548 -0.2177 0.0000 H 0 0 0
- -0.8487 -2.1570 0.0000 H 0 0 0
- -2.2099 -3.8682 0.0000 H 0 0 0
- -4.4160 -5.0272 0.0000 H 0 0 0
- -5.9110 -2.7684 0.0000 H 0 0 0
- -2.2046 1.5782 0.0000 H 0 0 0
- -6.2639 -4.6873 0.0000 H 0 0 0
- -3.3427 1.7993 0.0000 H 0 0 0
- 0.7427 0.9264 0.0000 H 0 0 0
- 0.2754 3.1161 0.0000 H 0 0 0
- 0.5934 4.7451 0.0000 H 0 0 0
- 0.3339 3.7295 0.0000 H 0 0 0
- -7.0879 -0.4722 0.0000 H 0 0 0
- -6.0131 -0.4046 0.0000 H 0 0 0
- 2.5140 0.6941 0.0000 H 0 0 0
- 2.4038 4.4899 0.0000 H 0 0 0
- 2.6633 5.5055 0.0000 H 0 0 0
- 5.3322 0.5707 0.0000 H 0 0 0
- -8.5077 -1.3441 0.0000 H 0 0 0
- -7.6120 2.5499 0.0000 H 0 0 0
- 6.1618 1.2379 0.0000 H 0 0 0
- 6.0738 2.6077 0.0000 H 0 0 0
- 3.3399 7.3903 0.0000 H 0 0 0
- 2.9903 8.6787 0.0000 H 0 0 0
- 1.7019 8.3291 0.0000 H 0 0 0
- -10.6847 -0.9104 0.0000 H 0 0 0
- -9.7897 2.9829 0.0000 H 0 0 0
- 6.1875 -1.0751 0.0000 H 0 0 0
- -11.2856 1.2634 0.0000 H 0 0 0
- 4.4868 -2.8252 0.0000 H 0 0 0
- 6.5040 3.7141 0.0000 H 0 0 0
- 5.7464 -4.7483 0.0000 H 0 0 0
- 6.5465 -3.6674 0.0000 H 0 0 0
- 5.7790 -3.8759 0.0000 H 0 0 0
- 7.4139 -3.8922 0.0000 H 0 0 0
- 4.7920 -2.6048 0.0000 H 0 0 0
- 3.6536 -5.6095 0.0000 H 0 0 0
- 2.7309 -2.6364 0.0000 H 0 0 0
- 1.5911 -5.6425 0.0000 H 0 0 0
- 1.1537 -3.9182 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 8 11 2 0
- 10 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 17 14 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 17 21 1 0
- 18 22 1 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 22 26 1 0
- 27 23 1 0
- 25 28 1 0
- 26 29 1 0
- 26 30 2 0
- 27 31 1 0
- 27 32 1 0
- 28 33 1 0
- 29 34 2 0
- 30 35 1 0
- 31 36 1 0
- 31 37 2 0
- 32 38 1 0
- 34 39 1 0
- 40 36 1 0
- 38 41 1 0
- 38 42 2 0
- 40 43 1 0
- 40 44 1 0
- 43 45 1 0
- 44 46 1 0
- 44 47 2 0
- 45 48 1 0
- 45 49 2 0
- 48 50 2 0
- 49 51 1 0
- 50 52 1 0
- 6 7 1 0
- 9 11 1 0
- 35 39 2 0
- 51 52 2 0
- 4 53 1 0
- 5 54 1 0
- 5 55 1 0
- 6 56 1 0
- 7 57 1 0
- 8 58 1 0
- 9 59 1 0
- 10 60 1 0
- 11 61 1 0
- 13 62 1 0
- 14 63 1 0
- 17 64 1 0
- 21 65 1 0
- 21 66 1 0
- 22 67 1 0
- 22 68 1 0
- 23 69 1 0
- 25 70 1 0
- 25 71 1 0
- 27 72 1 0
- 29 73 1 0
- 30 74 1 0
- 32 75 1 0
- 32 76 1 0
- 33 77 1 0
- 33 78 1 0
- 33 79 1 0
- 34 80 1 0
- 35 81 1 0
- 36 82 1 0
- 39 83 1 0
- 40 84 1 0
- 41 85 1 0
- 43 86 1 0
- 43 87 1 0
- 46 88 1 0
- 46 89 1 0
- 48 90 1 0
- 49 91 1 0
- 50 92 1 0
- 51 93 1 0
- 52 94 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-19622-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 21 22 1 V2000
- 0.1496 -0.3941 -0.2982 C 0 0 0
- -1.2001 -0.0430 -0.2298 C 0 0 0
- 1.2074 0.3871 0.1181 N 0 0 0
- 0.6351 -1.5501 -0.7743 N 0 0 0
- -2.5677 -0.9149 0.5226 S 0 0 0
- -1.8401 1.0691 -0.7164 N 0 0 0
- 2.3313 -0.3086 -0.1181 C 0 0 0
- 1.1209 1.7257 0.7071 C 0 0 0
- 1.9427 -1.5371 -0.6856 C 0 0 0
- -3.8043 0.2391 0.1221 C 0 0 0
- -3.0848 1.1950 -0.5448 N 0 0 0
- 3.7279 0.1352 0.1693 N 0 3 0
- -5.1190 0.2045 0.3975 N 0 0 0
- 4.4875 -0.5988 0.7758 O 0 0 0
- 4.1691 1.4093 -0.2631 O 0 5 0
- 2.1052 1.7893 0.0000 H 0 0 0
- 1.0573 2.7100 0.0000 H 0 0 0
- 0.1366 1.6621 0.0000 H 0 0 0
- 2.5295 -2.3299 0.0000 H 0 0 0
- -5.6345 1.0454 0.0000 H 0 0 0
- -5.5895 -0.6623 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 12 14 2 0
- 12 15 1 0
- 7 9 2 0
- 10 11 2 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 13 20 1 0
- 13 21 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-203-33-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 36 1 V2000
- 0.2132 0.9845 -0.0019 C 0 0 0
- -0.0826 -0.3725 -0.0015 C 0 0 0
- 1.5969 1.2223 -0.0025 C 0 0 0
- -0.7725 2.0446 0.0038 C 0 0 0
- 1.2081 -1.0802 -0.0002 C 0 0 0
- -1.4451 -0.7232 -0.0019 C 0 0 0
- 2.2381 -0.1055 -0.0001 C 0 0 0
- 2.0038 2.5432 -0.0055 C 0 0 0
- -2.1217 1.6908 0.0130 C 0 0 0
- -0.2850 3.3687 0.0001 C 0 0 0
- 1.5470 -2.4317 0.0011 C 0 0 0
- -2.4661 0.3318 0.0019 C 0 0 0
- -1.8546 -2.0670 -0.0072 C 0 0 0
- 3.5673 -0.5167 0.0026 C 0 0 0
- 1.0644 3.5741 -0.0066 C 0 0 0
- 2.8716 -2.8141 0.0032 C 0 0 0
- -3.8258 -0.0521 0.0042 C 0 0 0
- -3.1808 -2.3672 -0.0067 C 0 0 0
- 3.8778 -1.8606 0.0043 C 0 0 0
- -4.1540 -1.3691 -0.0002 C 0 0 0
- 3.0246 2.7716 0.0000 H 0 0 0
- -2.8644 2.4274 0.0000 H 0 0 0
- -0.9464 4.1791 0.0000 H 0 0 0
- 0.7944 -3.1582 0.0000 H 0 0 0
- -1.1425 -2.8333 0.0000 H 0 0 0
- 4.3335 0.1955 0.0000 H 0 0 0
- 1.4136 4.5602 0.0000 H 0 0 0
- 3.1190 -3.8305 0.0000 H 0 0 0
- -4.5768 0.6761 0.0000 H 0 0 0
- -3.4776 -3.3703 0.0000 H 0 0 0
- 4.8794 -2.1623 0.0000 H 0 0 0
- -5.1638 -1.6423 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 14 19 2 0
- 17 20 2 0
- 5 7 2 0
- 9 12 2 0
- 10 15 2 0
- 16 19 1 0
- 18 20 1 0
- 8 21 1 0
- 9 22 1 0
- 10 23 1 0
- 11 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
- 18 30 1 0
- 19 31 1 0
- 20 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-20325-40-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 37 1 V2000
- -4.1454 -0.8783 -0.0381 C 0 0 0
- -5.1507 0.1749 0.2450 C 0 0 0
- -2.9917 -0.9691 0.7400 C 0 0 0
- -4.3555 -1.7816 -1.0780 C 0 0 0
- -5.7831 0.8370 -0.8069 C 0 0 0
- -5.4684 0.4999 1.5622 C 0 0 0
- -2.0566 -1.9518 0.4737 C 0 0 0
- -3.4201 -2.7616 -1.3415 C 0 0 0
- -6.7195 1.8181 -0.5398 C 0 0 0
- -6.4038 1.4800 1.8257 C 0 0 0
- -2.2686 -2.8498 -0.5719 C 0 0 0
- -0.9303 -2.0424 1.2307 O 0 0 0
- -7.0299 2.1438 0.7801 C 0 0 0
- -7.3375 2.4657 -1.5638 O 0 0 0
- -1.3224 -3.8444 -0.8415 N 0 0 0
- -1.0024 -0.9994 2.2049 C 0 0 0
- -7.9776 3.1368 1.0505 N 0 0 0
- -6.8140 1.9174 -2.7752 C 0 0 0
- 10.1980 -0.0284 0.0727 Cl 0 0 0
- 18.7590 1.2419 -0.2354 Cl 0 0 0
- -2.6274 -0.2040 0.0000 H 0 0 0
- -5.1730 -2.0050 0.0000 H 0 0 0
- -6.3960 0.2518 0.0000 H 0 0 0
- -6.0779 -0.0889 0.0000 H 0 0 0
- -3.7830 -3.5274 0.0000 H 0 0 0
- -7.0186 0.8967 0.0000 H 0 0 0
- -1.5621 -4.6573 0.0000 H 0 0 0
- -0.4986 -3.6455 0.0000 H 0 0 0
- -0.1570 -0.9410 0.0000 H 0 0 0
- -1.0608 -0.1540 0.0000 H 0 0 0
- -1.8478 -1.0578 0.0000 H 0 0 0
- -7.7392 3.9500 0.0000 H 0 0 0
- -8.8011 2.9366 0.0000 H 0 0 0
- -7.4269 1.3322 0.0000 H 0 0 0
- -6.2288 1.3045 0.0000 H 0 0 0
- -6.2011 2.5026 0.0000 H 0 0 0
- 11.0455 -0.0284 0.0000 H 0 0 0
- 19.6065 1.2419 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 8 11 2 0
- 10 13 2 0
- 3 21 1 0
- 4 22 1 0
- 5 23 1 0
- 6 24 1 0
- 8 25 1 0
- 10 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
- 20 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2058-46-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 59 61 1 V2000
- -1.6912 1.1186 0.1268 C 0 0 0
- -2.4925 -0.1725 -0.0851 C 0 0 1
- -0.4655 1.0777 -0.7859 C 0 0 1
- -2.5836 2.3116 -0.2014 C 0 0 2
- -1.5996 -1.3619 0.0624 C 0 0 0
- -3.5979 -0.1818 0.9477 C 0 0 0
- -3.0660 -0.1673 -1.3939 O 0 0 0
- 0.4756 -0.0125 -0.2727 C 0 0 0
- -0.8745 0.7651 -2.1190 O 0 0 0
- -3.8547 2.2460 0.5999 C 0 0 0
- -2.9071 2.3016 -1.6343 N 0 0 0
- -0.2658 -1.3008 -0.0499 C 0 0 0
- -2.1652 -2.5575 0.3221 O 0 0 0
- -4.3319 1.0766 1.1404 C 0 0 0
- -3.8654 -1.1794 1.5853 O 0 0 0
- 1.6223 -0.2200 -1.2581 C 0 0 1
- -4.5507 3.3757 0.7952 O 0 0 0
- -4.3664 2.4337 -1.7386 C 0 0 0
- -2.3305 3.5259 -2.2058 C 0 0 0
- 0.4867 -2.5077 0.0652 C 0 0 0
- -5.5832 1.0840 1.9149 C 0 0 0
- 2.5080 -1.3431 -0.7872 C 0 0 0
- 1.0524 -0.5658 -2.6352 C 0 0 0
- 2.3899 0.9817 -1.3526 O 0 0 0
- 1.9484 -2.4498 -0.1449 C 0 0 0
- -0.0630 -3.5615 0.3309 O 0 0 0
- -6.7495 0.7753 1.3140 N 0 0 0
- -5.5650 1.3689 3.0973 O 0 0 0
- 3.8707 -1.2836 -0.9858 C 0 0 0
- 2.7723 -3.4930 0.2928 C 0 0 0
- 4.6847 -2.3168 -0.5510 C 0 0 0
- 4.1416 -3.4168 0.0838 C 0 0 0
- 2.2355 -4.5715 0.9169 O 0 0 0
- 14.0755 3.2358 1.3328 Cl 0 0 0
- -1.2336 1.9956 0.0000 H 0 0 0
- -0.0388 1.9702 0.0000 H 0 0 0
- -2.1544 3.2029 0.0000 H 0 0 0
- -4.0552 -0.1583 0.0000 H 0 0 0
- 0.9661 0.8465 0.0000 H 0 0 0
- -1.6605 0.1644 0.0000 H 0 0 0
- -2.5882 -3.4517 0.0000 H 0 0 0
- -5.0696 4.2179 0.0000 H 0 0 0
- -4.2772 3.4189 0.0000 H 0 0 0
- -5.3516 2.5229 0.0000 H 0 0 0
- -4.4556 1.4485 0.0000 H 0 0 0
- -1.4355 3.1044 0.0000 H 0 0 0
- -1.9090 4.4209 0.0000 H 0 0 0
- -3.2255 3.9474 0.0000 H 0 0 0
- 0.5392 0.2799 0.0000 H 0 0 0
- 0.2067 -1.0790 0.0000 H 0 0 0
- 1.5656 -1.4115 0.0000 H 0 0 0
- 2.9224 1.8154 0.0000 H 0 0 0
- -7.4469 1.4769 0.0000 H 0 0 0
- -7.0084 -0.1794 0.0000 H 0 0 0
- 4.2830 -0.3844 0.0000 H 0 0 0
- 5.6686 -2.2138 0.0000 H 0 0 0
- 4.6869 -4.2421 0.0000 H 0 0 0
- 1.7947 -5.4571 0.0000 H 0 0 0
- 15.0647 3.2358 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 2 0
- 5 13 1 0
- 6 14 1 0
- 6 15 2 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 12 20 1 0
- 14 21 1 0
- 16 22 1 0
- 16 23 1 0
- 16 24 1 0
- 20 25 1 0
- 20 26 2 0
- 21 27 1 0
- 21 28 2 0
- 22 29 1 0
- 25 30 1 0
- 29 31 2 0
- 30 32 2 0
- 30 33 1 0
- 8 12 1 0
- 10 14 2 0
- 22 25 2 0
- 31 32 1 0
- 1 35 1 0
- 3 36 1 0
- 4 37 1 0
- 7 38 1 0
- 8 39 1 0
- 9 40 1 0
- 13 41 1 0
- 17 42 1 0
- 18 43 1 0
- 18 44 1 0
- 18 45 1 0
- 19 46 1 0
- 19 47 1 0
- 19 48 1 0
- 23 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 27 53 1 0
- 27 54 1 0
- 29 55 1 0
- 31 56 1 0
- 32 57 1 0
- 33 58 1 0
- 34 59 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2068-78-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-123130 1 V2000
- -2.2823 -1.8218 -0.8011 C 0 0 2
- -3.0499 -2.5600 0.2890 C 0 0 2
- -1.0034 -2.4221 -1.3140 C 0 0 2
- -1.8815 -0.4581 -0.3001 C 0 0 0
- -3.3223 -1.6641 -1.9387 C 0 0 0
- -2.7597 -4.0516 0.3092 C 0 0 2
- -4.4768 -2.2869 0.0724 N 0 0 0
- -0.6662 -3.8413 -0.9719 C 0 0 2
- 0.0710 -1.4840 -0.9689 N 0 0 0
- -0.4940 -0.3401 -0.4174 C 0 0 0
- -2.6677 0.5604 0.2037 C 0 0 0
- -4.6292 -1.4478 -1.1336 C 0 0 0
- -1.2446 -4.2661 0.3756 C 0 0 2
- -3.2814 -4.6507 -0.9874 C 0 0 0
- -3.4361 -4.7025 1.5174 C 0 0 0
- -5.2181 -3.5195 -0.1481 C 0 0 0
- 0.8328 -3.9904 -0.9288 C 0 0 0
- -1.1874 -4.6993 -1.9889 O 0 0 0
- 1.3887 -1.6966 -1.1560 C 0 0 0
- 0.1512 0.8312 -0.0132 C 0 0 0
- -2.0189 1.7231 0.6001 C 0 0 0
- -0.9644 -5.6729 0.6007 O 0 0 0
- -4.5596 -4.3597 -1.2221 C 0 0 0
- -2.8150 -4.1570 2.8048 C 0 0 0
- 1.5162 -4.2299 -2.0590 O 0 0 0
- 1.4195 -3.8944 0.1231 O 0 0 0
- 2.1970 -0.8886 -0.7500 O 0 0 0
- -0.6439 1.8524 0.4951 C 0 0 0
- -2.8277 2.8669 1.1557 C 0 0 2
- 0.1877 -6.0432 1.1815 C 0 0 0
- 2.9451 -4.4823 -2.0037 C 0 0 0
- -0.0559 3.0087 0.9002 O 0 0 0
- -4.2753 2.4570 1.2646 C 0 0 0
- -2.7273 4.0703 0.2162 C 0 0 0
- -2.3043 3.2407 2.5186 C 0 0 0
- 0.5295 -7.5051 1.3129 C 0 0 0
- 0.9507 -5.2045 1.5989 O 0 0 0
- 1.3303 2.9051 0.5691 C 0 0 0
- -5.1034 2.3205 0.2160 C 0 0 0
- -4.9398 2.1767 2.4250 N 0 0 0
- -1.4972 3.9369 -0.6795 C 0 0 1
- -2.9380 4.1719 3.2486 O 0 0 0
- -1.3143 2.7021 2.9541 O 0 0 0
- -6.4049 1.9146 0.7481 C 0 0 0
- -4.7425 2.5456 -1.2306 C 0 0 0
- -6.2476 1.8453 2.1450 C 0 0 0
- -1.4105 2.5314 -1.2623 C 0 0 0
- -1.5927 4.9565 -1.8220 C 0 0 0
- -2.4337 4.5321 4.5617 C 0 0 0
- -7.6415 1.6160 0.1720 C 0 0 0
- -3.6268 1.5777 -1.6243 C 0 0 0
- -7.3345 1.4889 2.9368 C 0 0 0
- -2.4781 2.2252 -2.1373 N 0 0 0
- -2.8169 4.5947 -2.6757 C 0 0 2
- -8.6945 1.2647 0.9688 C 0 0 0
- -8.5462 1.2020 2.3477 C 0 0 0
- -2.6318 3.1632 -3.1901 C 0 0 0
- -2.9251 5.5590 -3.8587 C 0 0 0
- -4.0009 4.6730 -1.8794 O 0 0 0
- -4.1463 5.1931 -4.7048 C 0 0 0
- 18.5517 1.3093 0.2928 S 0 0 0
- 17.7521 0.5992 1.3758 O 0 0 0
- 19.7691 0.4483 -0.0123 O 0 0 0
- 17.7442 1.2640 -0.8757 O 0 0 0
- 19.0568 2.4915 0.8982 O 0 0 0
- -3.3215 -1.6443 0.0000 H 0 0 0
- -1.7445 -3.0246 0.0000 H 0 0 0
- -3.9252 -2.4049 0.0000 H 0 0 0
- -2.9782 -2.5551 0.0000 H 0 0 0
- -3.6202 0.4896 0.0000 H 0 0 0
- -4.5820 -0.4939 0.0000 H 0 0 0
- -5.5823 -1.5099 0.0000 H 0 0 0
- -1.4776 -3.3398 0.0000 H 0 0 0
- -2.9853 -5.5587 0.0000 H 0 0 0
- -4.3496 -4.4237 0.0000 H 0 0 0
- -3.2349 -5.6362 0.0000 H 0 0 0
- -5.9709 -2.9317 0.0000 H 0 0 0
- -5.8929 -4.1955 0.0000 H 0 0 0
- -1.6833 -5.5156 0.0000 H 0 0 0
- 1.6825 -2.6054 0.0000 H 0 0 0
- 1.1033 0.9066 0.0000 H 0 0 0
- -5.0709 -5.1664 0.0000 H 0 0 0
- -2.1847 -4.8746 0.0000 H 0 0 0
- -2.0974 -3.5267 0.0000 H 0 0 0
- -3.4453 -3.4394 0.0000 H 0 0 0
- 2.7790 -5.4229 0.0000 H 0 0 0
- 3.8857 -4.6484 0.0000 H 0 0 0
- 3.1112 -3.5417 0.0000 H 0 0 0
- -2.6322 5.0207 0.0000 H 0 0 0
- -3.6784 4.1576 0.0000 H 0 0 0
- -0.4005 -7.7225 0.0000 H 0 0 0
- 0.7469 -8.4351 0.0000 H 0 0 0
- 1.4595 -7.2877 0.0000 H 0 0 0
- 1.2591 1.9526 0.0000 H 0 0 0
- 2.2828 2.8339 0.0000 H 0 0 0
- 1.4015 3.8576 0.0000 H 0 0 0
- -4.6360 1.2712 0.0000 H 0 0 0
- -0.5450 4.0108 0.0000 H 0 0 0
- -4.0480 3.2013 0.0000 H 0 0 0
- -5.3260 3.3018 0.0000 H 0 0 0
- -1.2144 1.5966 0.0000 H 0 0 0
- -0.4640 2.6592 0.0000 H 0 0 0
- -0.6495 5.1068 0.0000 H 0 0 0
- -1.8037 5.8880 0.0000 H 0 0 0
- -1.8786 3.7549 0.0000 H 0 0 0
- -1.6565 5.0872 0.0000 H 0 0 0
- -2.9888 5.3093 0.0000 H 0 0 0
- -7.9050 2.5341 0.0000 H 0 0 0
- -4.3309 0.9323 0.0000 H 0 0 0
- -3.0660 0.8046 0.0000 H 0 0 0
- -7.0754 0.5696 0.0000 H 0 0 0
- -9.6489 1.3019 0.0000 H 0 0 0
- -8.6261 0.2502 0.0000 H 0 0 0
- -3.5175 3.5208 0.0000 H 0 0 0
- -3.3776 2.5665 0.0000 H 0 0 0
- -1.9840 5.7220 0.0000 H 0 0 0
- -3.1441 6.4887 0.0000 H 0 0 0
- -4.9539 4.7360 0.0000 H 0 0 0
- -4.4204 6.1080 0.0000 H 0 0 0
- -5.0612 4.9190 0.0000 H 0 0 0
- -3.8722 4.2782 0.0000 H 0 0 0
- 17.0379 -0.0350 0.0000 H 0 0 0
- 20.5489 -0.1032 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 6 14 1 0
- 6 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 11 21 2 0
- 13 22 1 0
- 14 23 2 0
- 15 24 1 0
- 17 25 1 0
- 17 26 2 0
- 19 27 2 0
- 20 28 2 0
- 21 29 1 0
- 22 30 1 0
- 25 31 1 0
- 28 32 1 0
- 29 33 1 0
- 29 34 1 0
- 29 35 1 0
- 30 36 1 0
- 30 37 2 0
- 32 38 1 0
- 33 39 2 0
- 33 40 1 0
- 34 41 1 0
- 35 42 1 0
- 35 43 2 0
- 39 44 1 0
- 39 45 1 0
- 40 46 1 0
- 41 47 1 0
- 41 48 1 0
- 42 49 1 0
- 44 50 1 0
- 45 51 1 0
- 46 52 1 0
- 47 53 1 0
- 48 54 1 0
- 50 55 2 0
- 52 56 2 0
- 53 57 1 0
- 54 58 1 0
- 54 59 1 0
- 58 60 1 0
- 61 62 1 0
- 61 63 1 0
- 61 64 2 0
- 61 65 2 0
- 7 12 1 0
- 8 13 1 0
- 9 10 1 0
- 16 23 1 0
- 21 28 1 0
- 44 46 2 0
- 51 53 1 0
- 54 57 1 0
- 55 56 1 0
- 2 66 1 0
- 3 67 1 0
- 5 68 1 0
- 5 69 1 0
- 11 70 1 0
- 12 71 1 0
- 12 72 1 0
- 13 73 1 0
- 14 74 1 0
- 15 75 1 0
- 15 76 1 0
- 16 77 1 0
- 16 78 1 0
- 18 79 1 0
- 19 80 1 0
- 20 81 1 0
- 23 82 1 0
- 24 83 1 0
- 24 84 1 0
- 24 85 1 0
- 31 86 1 0
- 31 87 1 0
- 31 88 1 0
- 34 89 1 0
- 34 90 1 0
- 36 91 1 0
- 36 92 1 0
- 36 93 1 0
- 38 94 1 0
- 38 95 1 0
- 38 96 1 0
- 40 97 1 0
- 41 98 1 0
- 45 99 1 0
- 45100 1 0
- 47101 1 0
- 47102 1 0
- 48103 1 0
- 48104 1 0
- 49105 1 0
- 49106 1 0
- 49107 1 0
- 50108 1 0
- 51109 1 0
- 51110 1 0
- 52111 1 0
- 55112 1 0
- 56113 1 0
- 57114 1 0
- 57115 1 0
- 58116 1 0
- 58117 1 0
- 59118 1 0
- 60119 1 0
- 60120 1 0
- 60121 1 0
- 62122 1 0
- 63123 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-20830-81-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 67 71 1 V2000
- -0.0844 2.1425 0.4367 C 0 0 0
- -0.5484 0.9307 -0.0093 C 0 0 0
- 1.2867 2.3331 0.6525 C 0 0 0
- -0.9986 3.3065 0.7213 C 0 0 0
- -2.0095 0.6679 -0.2699 C 0 0 2
- 0.3473 -0.1211 -0.2438 C 0 0 0
- 2.1906 1.2978 0.4214 C 0 0 0
- 1.7381 3.5350 1.0895 O 0 0 0
- -2.3537 3.1045 0.0470 C 0 0 2
- -2.8776 1.7140 0.4255 C 0 0 0
- -2.3498 -0.6295 0.2230 O 0 0 0
- 1.7135 0.0515 -0.0323 C 0 0 0
- -0.1197 -1.3174 -0.6799 O 0 0 0
- 3.6321 1.4981 0.6483 C 0 0 0
- -2.1956 3.1979 -1.4487 C 0 0 0
- -3.2698 4.1043 0.4978 O 0 0 0
- -3.1899 -1.2375 -0.7600 C 0 0 1
- 2.6560 -1.0539 -0.2795 C 0 0 0
- 4.5768 0.3893 0.3997 C 0 0 0
- 4.0438 2.5734 1.0387 O 0 0 0
- -3.3862 3.5235 -2.3134 C 0 0 0
- -1.1149 3.0119 -1.9545 O 0 0 0
- -3.0395 -2.7589 -0.6891 C 0 0 0
- -4.5474 -0.8744 -0.5156 O 0 0 0
- 4.0989 -0.8547 -0.0522 C 0 0 0
- 2.2440 -2.1295 -0.6701 O 0 0 0
- 5.9398 0.5688 0.6119 C 0 0 0
- -3.4247 -3.2338 0.7166 C 0 0 1
- -4.8382 -1.1831 0.8462 C 0 0 2
- 5.0006 -1.8977 -0.2849 C 0 0 0
- 6.8215 -0.4736 0.3775 C 0 0 0
- -4.8227 -2.6999 1.0486 C 0 0 1
- -3.4406 -4.7023 0.7500 N 0 0 0
- -6.2193 -0.6342 1.2098 C 0 0 0
- 6.3599 -1.6961 -0.0665 C 0 0 0
- 4.5522 -3.1008 -0.7213 O 0 0 0
- -5.7826 -3.3061 0.1807 O 0 0 0
- 5.6984 -3.9425 -0.8618 C 0 0 0
- -0.0921 3.7937 0.0000 H 0 0 0
- -1.3229 4.2832 0.0000 H 0 0 0
- -3.0142 0.4453 0.0000 H 0 0 0
- 2.0999 4.4984 0.0000 H 0 0 0
- -3.7640 2.2368 0.0000 H 0 0 0
- -3.5449 0.9306 0.0000 H 0 0 0
- -0.4939 -2.2760 0.0000 H 0 0 0
- -3.9650 4.8630 0.0000 H 0 0 0
- -3.3767 -0.2255 0.0000 H 0 0 0
- -3.1147 4.5161 0.0000 H 0 0 0
- -4.3788 3.7950 0.0000 H 0 0 0
- -3.6577 2.5309 0.0000 H 0 0 0
- -2.4368 -3.5930 0.0000 H 0 0 0
- -2.0772 -2.3943 0.0000 H 0 0 0
- 6.3109 1.5287 0.0000 H 0 0 0
- -2.4567 -3.5830 0.0000 H 0 0 0
- -3.8797 -1.5578 0.0000 H 0 0 0
- 7.8357 -0.2990 0.0000 H 0 0 0
- -4.7207 -3.7239 0.0000 H 0 0 0
- -4.3373 -5.2072 0.0000 H 0 0 0
- -2.5550 -5.2265 0.0000 H 0 0 0
- -5.8392 0.3221 0.0000 H 0 0 0
- -7.1756 -0.2541 0.0000 H 0 0 0
- -6.5994 -1.5905 0.0000 H 0 0 0
- 7.0058 -2.4973 0.0000 H 0 0 0
- -6.6527 -3.8556 0.0000 H 0 0 0
- 5.0893 -4.7720 0.0000 H 0 0 0
- 6.5279 -4.5516 0.0000 H 0 0 0
- 6.3075 -3.1130 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 17 11 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 1 0
- 23 28 1 0
- 24 29 1 0
- 25 30 1 0
- 27 31 2 0
- 28 32 1 0
- 28 33 1 0
- 29 34 1 0
- 30 35 2 0
- 30 36 1 0
- 32 37 1 0
- 36 38 1 0
- 7 12 2 0
- 9 10 1 0
- 19 25 2 0
- 29 32 1 0
- 31 35 1 0
- 4 39 1 0
- 4 40 1 0
- 5 41 1 0
- 8 42 1 0
- 10 43 1 0
- 10 44 1 0
- 13 45 1 0
- 16 46 1 0
- 17 47 1 0
- 21 48 1 0
- 21 49 1 0
- 21 50 1 0
- 23 51 1 0
- 23 52 1 0
- 27 53 1 0
- 28 54 1 0
- 29 55 1 0
- 31 56 1 0
- 32 57 1 0
- 33 58 1 0
- 33 59 1 0
- 34 60 1 0
- 34 61 1 0
- 34 62 1 0
- 35 63 1 0
- 37 64 1 0
- 38 65 1 0
- 38 66 1 0
- 38 67 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21313-86-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 29 1 V2000
- 0.6963 -0.1730 -0.0019 C 0 0 0
- -0.7850 -0.1033 -0.0016 C 0 0 0
- 1.5047 0.8750 -0.0014 N 0 0 0
- 1.4082 -1.3010 0.0029 N 0 0 0
- -1.5404 -1.2745 -0.0022 C 0 0 0
- -1.4272 1.1341 0.0052 C 0 0 0
- 2.7699 0.4292 -0.0020 C 0 0 0
- 2.7007 -0.9886 0.0009 C 0 0 0
- -2.9188 -1.2035 -0.0020 C 0 0 0
- -2.8058 1.1929 0.0054 C 0 0 0
- 4.0315 1.0374 -0.0014 C 0 0 0
- 3.8425 -1.7031 0.0036 N 0 0 0
- -3.5505 0.0269 -0.0010 C 0 0 0
- 5.1325 0.2372 -0.0019 N 0 0 0
- 4.1539 2.3986 -0.0009 N 0 0 0
- 5.0034 -1.1146 0.0004 C 0 0 0
- -5.0291 0.0965 -0.0007 N 0 3 0
- -5.5879 1.1788 0.0001 O 0 0 0
- -5.6871 -0.9285 -0.0013 O 0 5 0
- -1.0732 -2.1869 0.0000 H 0 0 0
- -0.8764 1.9985 0.0000 H 0 0 0
- -3.4754 -2.0643 0.0000 H 0 0 0
- -3.2790 2.1021 0.0000 H 0 0 0
- 6.0669 0.6585 0.0000 H 0 0 0
- 5.0839 2.8295 0.0000 H 0 0 0
- 3.3157 2.9886 0.0000 H 0 0 0
- 5.8503 -1.6920 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 8 12 1 0
- 9 13 2 0
- 11 14 1 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 17 18 2 0
- 17 19 1 0
- 7 8 1 0
- 10 13 1 0
- 14 16 1 0
- 5 20 1 0
- 6 21 1 0
- 9 22 1 0
- 10 23 1 0
- 14 24 1 0
- 15 25 1 0
- 15 26 1 0
- 16 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2163-68-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 29 1 V2000
- -1.0383 0.5131 0.0167 C 0 0 0
- -0.2239 -0.5282 0.0137 N 0 0 0
- -0.5207 1.7761 0.0100 N 0 0 0
- -2.3918 0.3259 0.0207 N 0 0 0
- 1.0992 -0.3491 0.0042 C 0 0 0
- 0.8181 1.9427 0.0004 C 0 0 0
- -2.9437 -1.0307 -0.0138 C 0 0 0
- 1.6166 0.8736 -0.0028 N 0 0 0
- 1.9334 -1.4408 0.0012 N 0 0 0
- 1.2960 3.0644 -0.0060 O 0 0 0
- -3.7974 -1.2658 1.2340 C 0 0 0
- -3.8106 -1.1969 -1.2635 C 0 0 0
- 3.3862 -1.2525 -0.0092 C 0 0 0
- 4.0774 -2.6174 -0.0105 C 0 0 0
- -1.1322 2.5757 0.0000 H 0 0 0
- -3.0097 1.1205 0.0000 H 0 0 0
- -2.2750 -1.7831 0.0000 H 0 0 0
- 1.5463 -2.3700 0.0000 H 0 0 0
- -4.0647 -0.2953 0.0000 H 0 0 0
- -4.7679 -1.5331 0.0000 H 0 0 0
- -3.5301 -2.2363 0.0000 H 0 0 0
- -4.0001 -0.2083 0.0000 H 0 0 0
- -4.7992 -1.3864 0.0000 H 0 0 0
- -3.6211 -2.1855 0.0000 H 0 0 0
- 4.3299 -0.9022 0.0000 H 0 0 0
- 3.1448 -0.2753 0.0000 H 0 0 0
- 3.1794 -3.0722 0.0000 H 0 0 0
- 4.5322 -3.5154 0.0000 H 0 0 0
- 4.9754 -2.1626 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 1 0
- 7 12 1 0
- 9 13 1 0
- 13 14 1 0
- 6 8 1 0
- 3 15 1 0
- 4 16 1 0
- 7 17 1 0
- 9 18 1 0
- 11 19 1 0
- 11 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 14 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-21794-55-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- 0.8072 0.4483 0.1429 C 0 0 0
- 0.5592 -0.9362 0.0506 C 0 0 0
- 2.1914 0.9532 0.1218 C 0 0 0
- -0.2672 1.3291 0.2480 C 0 0 0
- -0.7553 -1.3987 0.0740 C 0 0 0
- 1.6830 -1.8808 -0.0682 C 0 0 0
- 3.3169 0.0085 0.0044 C 0 0 0
- 2.4049 2.1479 0.2008 O 0 0 0
- -1.5834 0.8488 0.2627 C 0 0 0
- -0.0371 2.6627 0.3362 O 0 0 0
- -1.8242 -0.5001 0.1877 C 0 0 0
- -1.0017 -2.7293 -0.0144 O 0 0 0
- 3.0710 -1.3740 -0.0885 C 0 0 0
- 1.4692 -3.0750 -0.1490 O 0 0 0
- 4.6337 0.4785 -0.0165 C 0 0 0
- -2.6909 1.8654 0.3707 C 0 0 2
- -3.2156 -1.0789 0.2143 C 0 0 0
- 4.1388 -2.2586 -0.1988 C 0 0 0
- 5.6867 -0.4241 -0.1278 C 0 0 0
- 4.8833 1.8085 0.0709 O 0 0 0
- -3.9942 1.1984 0.8046 C 0 0 0
- -2.8795 2.5006 -0.8954 O 0 0 0
- -4.2531 -0.0016 -0.0933 C 0 0 2
- 5.4381 -1.7787 -0.2178 C 0 0 0
- 6.3027 1.9664 0.0227 C 0 0 0
- -5.6369 -0.5426 0.1583 C 0 0 0
- -4.1357 0.4044 -1.4584 O 0 0 0
- -6.8046 -0.0277 -0.6434 C 0 0 0
- -5.8102 -1.3887 1.0023 O 0 0 0
- 0.1403 3.6911 0.0000 H 0 0 0
- -1.1917 -3.7554 0.0000 H 0 0 0
- -1.8059 2.4183 0.0000 H 0 0 0
- -4.0511 -1.7042 0.0000 H 0 0 0
- -2.6986 -1.9854 0.0000 H 0 0 0
- 3.9633 -3.2873 0.0000 H 0 0 0
- 6.6704 -0.0758 0.0000 H 0 0 0
- -4.2468 2.2109 0.0000 H 0 0 0
- -5.0376 1.1817 0.0000 H 0 0 0
- -3.1765 3.5010 0.0000 H 0 0 0
- 6.2368 -2.4504 0.0000 H 0 0 0
- 6.4181 0.9293 0.0000 H 0 0 0
- 7.3398 2.0818 0.0000 H 0 0 0
- 6.1873 3.0035 0.0000 H 0 0 0
- -3.8458 1.4069 0.0000 H 0 0 0
- -6.3836 0.9271 0.0000 H 0 0 0
- -7.7594 0.3933 0.0000 H 0 0 0
- -7.2256 -0.9825 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 7 15 1 0
- 9 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 2 0
- 15 20 1 0
- 16 21 1 0
- 16 22 1 0
- 17 23 1 0
- 18 24 2 0
- 20 25 1 0
- 23 26 1 0
- 23 27 1 0
- 26 28 1 0
- 26 29 2 0
- 7 13 2 0
- 9 11 1 0
- 19 24 1 0
- 21 23 1 0
- 10 30 1 0
- 12 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 21 38 1 0
- 22 39 1 0
- 24 40 1 0
- 25 41 1 0
- 25 42 1 0
- 25 43 1 0
- 27 44 1 0
- 28 45 1 0
- 28 46 1 0
- 28 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-21884-44-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 77 1 V2000
- -2.1861 -0.0907 0.8789 C 0 0 2
- -3.3970 0.3398 0.1635 C 0 0 0
- -1.4395 1.2709 1.1764 C 0 0 0
- -1.2391 -1.2566 0.2795 C 0 0 0
- -2.2118 -1.4801 1.6081 C 0 0 0
- -2.7400 -0.5381 -0.8128 C 0 0 0
- -3.5415 1.6141 -0.6616 C 0 0 0
- 0.0780 1.3802 1.6194 C 0 0 0
- -1.7699 2.3757 0.5880 C 0 0 0
- 0.3487 -1.2996 0.7682 C 0 0 0
- -1.6708 -1.9373 -1.1358 O 0 0 0
- -1.6755 -2.4710 0.5360 C 0 0 1
- -1.2302 -0.1716 -1.1595 C 0 0 2
- -3.1282 -1.9677 -0.0903 C 0 0 0
- -2.1370 2.1801 -0.9005 C 0 0 1
- -4.1466 1.3088 -1.9198 O 0 0 0
- 1.0252 0.0484 1.4090 C 0 0 0
- 0.4959 2.3421 2.1376 O 0 0 0
- -1.7128 3.6324 1.0639 O 0 0 0
- 1.3791 -2.1236 0.7629 C 0 0 0
- -0.3629 -2.6610 -0.4222 C 0 0 0
- -0.0914 -1.3227 -1.2233 C 0 0 0
- -0.3232 0.3304 0.0213 C 0 0 0
- -1.2488 1.2124 -1.7131 C 0 0 0
- -3.9365 -1.6621 1.0270 O 0 0 0
- 2.2460 0.0658 1.9117 C 0 0 0
- 2.4453 -2.2585 1.6567 C 0 0 0
- 1.9452 -2.7290 -0.3592 O 0 0 0
- 0.1434 -3.7994 -0.6680 O 0 0 0
- 1.0861 -1.0925 -1.8225 C 0 0 0
- 0.8130 1.0337 -0.4974 C 0 0 0
- -0.6185 -0.1551 1.4965 O 0 0 0
- 2.9840 -1.0947 2.1705 C 0 0 0
- 2.8755 1.2498 2.2192 O 0 0 0
- 3.1158 -3.5673 1.9156 C 0 0 0
- 1.6397 0.2419 -1.4065 C 0 0 0
- 1.6786 -1.8038 -2.6383 O 0 0 0
- 1.2603 2.3344 -0.3670 C 0 0 0
- 2.8780 0.6530 -1.8374 C 0 0 0
- 2.5343 2.7455 -0.7678 C 0 0 0
- 0.4596 3.3574 0.0430 O 0 0 0
- 3.3605 1.9138 -1.4865 C 0 0 0
- 3.6524 -0.1549 -2.6112 O 0 0 0
- 2.9837 4.1518 -0.4598 C 0 0 0
- -4.3127 -0.0235 0.0000 H 0 0 0
- -3.1301 -1.1233 0.0000 H 0 0 0
- -2.8633 -2.2190 0.0000 H 0 0 0
- -3.7077 -0.7229 0.0000 H 0 0 0
- -3.9479 2.5115 0.0000 H 0 0 0
- -1.9084 -3.4282 0.0000 H 0 0 0
- -3.4637 -2.8940 0.0000 H 0 0 0
- -2.5533 3.0729 0.0000 H 0 0 0
- -5.0261 0.8650 0.0000 H 0 0 0
- -1.6681 4.6165 0.0000 H 0 0 0
- -0.2986 0.9524 0.0000 H 0 0 0
- -0.7358 2.0535 0.0000 H 0 0 0
- -4.8580 -1.3137 0.0000 H 0 0 0
- 2.6181 -3.4486 0.0000 H 0 0 0
- 0.5437 -4.6995 0.0000 H 0 0 0
- 3.9670 -1.0293 0.0000 H 0 0 0
- 3.3380 2.1196 0.0000 H 0 0 0
- 2.2390 -4.0165 0.0000 H 0 0 0
- 3.5650 -4.4441 0.0000 H 0 0 0
- 3.9926 -3.1181 0.0000 H 0 0 0
- -0.1476 4.1332 0.0000 H 0 0 0
- 4.3243 2.1175 0.0000 H 0 0 0
- 4.3341 -0.8661 0.0000 H 0 0 0
- 3.9221 3.8519 0.0000 H 0 0 0
- 3.2836 5.0902 0.0000 H 0 0 0
- 2.0453 4.4517 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 13 6 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 8 18 2 0
- 9 19 1 0
- 10 20 2 0
- 12 21 1 0
- 13 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 17 26 2 0
- 20 27 1 0
- 20 28 1 0
- 21 29 1 0
- 22 30 1 0
- 23 31 1 0
- 23 32 2 0
- 26 33 1 0
- 26 34 1 0
- 27 35 1 0
- 30 36 1 0
- 30 37 2 0
- 31 38 1 0
- 36 39 1 0
- 38 40 2 0
- 38 41 1 0
- 39 42 2 0
- 39 43 1 0
- 40 44 1 0
- 9 15 1 0
- 10 17 1 0
- 12 14 1 0
- 15 24 1 0
- 21 22 2 0
- 27 33 2 0
- 31 36 2 0
- 40 42 1 0
- 2 45 1 0
- 5 46 1 0
- 5 47 1 0
- 6 48 1 0
- 7 49 1 0
- 12 50 1 0
- 14 51 1 0
- 15 52 1 0
- 16 53 1 0
- 19 54 1 0
- 24 55 1 0
- 24 56 1 0
- 25 57 1 0
- 28 58 1 0
- 29 59 1 0
- 33 60 1 0
- 34 61 1 0
- 35 62 1 0
- 35 63 1 0
- 35 64 1 0
- 41 65 1 0
- 42 66 1 0
- 43 67 1 0
- 44 68 1 0
- 44 69 1 0
- 44 70 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2244-21-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -2.0706 1.2595 -0.6225 N 0 0 0
- -2.9022 0.6755 0.4365 C 0 0 0
- -0.9735 0.3173 -0.8735 C 0 0 0
- -1.3644 2.6733 0.0305 Cl 0 0 0
- -3.4787 -0.5917 -0.0282 N 0 0 0
- -1.5159 -0.9562 -1.3614 N 0 0 0
- -2.3571 -1.5016 -0.2895 C 0 0 0
- -4.3478 -1.2488 1.2898 Cl 0 0 0
- -0.3808 -1.8673 -1.5098 O 0 0 0
- 9.7808 -0.2678 0.3649 K 0 3 0
- -3.1765 1.6830 0.0000 H 0 0 0
- -3.9429 0.7595 0.0000 H 0 0 0
- -0.0597 -0.1878 0.0000 H 0 0 0
- -0.3777 1.1747 0.0000 H 0 0 0
- -3.0960 -2.2393 0.0000 H 0 0 0
- -1.7006 -2.3136 0.0000 H 0 0 0
- 0.4335 -2.5209 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 1 0
- 5 8 1 0
- 6 9 1 0
- 6 7 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 7 15 1 0
- 7 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-22897-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 44 1 V2000
- 1.7019 0.2487 0.1182 C 0 0 0
- 0.3545 0.0051 -0.1300 C 0 0 0
- 2.4735 1.5473 0.2328 C 0 0 1
- 2.6025 -0.7874 0.3060 C 0 0 0
- -0.0828 -1.3296 -0.1382 C 0 0 0
- -0.4503 1.0450 -0.3742 O 0 0 0
- 3.8047 1.0688 0.8936 C 0 0 1
- 2.9522 1.9583 -1.1469 C 0 0 0
- 3.8614 -0.3150 0.5140 O 0 0 0
- 2.1562 -2.1113 0.2576 C 0 0 0
- 0.8213 -2.3832 0.0339 C 0 0 0
- -1.5265 -1.5865 -0.3078 C 0 0 0
- -1.7567 0.8676 -0.1467 C 0 0 0
- 4.7819 1.7913 0.1201 O 0 0 0
- 4.2623 2.0607 -1.0981 C 0 0 0
- 0.3881 -3.6678 -0.0209 O 0 0 0
- -2.3749 -0.3896 -0.1164 C 0 0 0
- -1.9782 -2.6841 -0.5812 O 0 0 0
- -2.5561 1.9978 0.0711 C 0 0 0
- 1.5317 -4.4986 0.1891 C 0 0 0
- -3.7516 -0.5145 0.0923 C 0 0 0
- -3.9129 1.8668 0.2901 C 0 0 0
- -1.9900 3.2351 0.0671 O 0 0 0
- -4.5172 0.6208 0.2977 C 0 0 0
- -4.3341 -1.7409 0.0930 O 0 0 0
- -3.0414 4.1711 0.3131 C 0 0 0
- 1.6862 2.2088 0.0000 H 0 0 0
- 4.7321 0.6247 0.0000 H 0 0 0
- 2.5577 2.9079 0.0000 H 0 0 0
- 2.8368 -2.8821 0.0000 H 0 0 0
- 4.4668 3.0685 0.0000 H 0 0 0
- 0.9273 -5.3305 0.0000 H 0 0 0
- 2.3636 -5.1030 0.0000 H 0 0 0
- 2.1361 -3.6667 0.0000 H 0 0 0
- -4.5001 2.7110 0.0000 H 0 0 0
- -5.5429 0.5480 0.0000 H 0 0 0
- -4.7753 -2.6697 0.0000 H 0 0 0
- -2.3577 4.9391 0.0000 H 0 0 0
- -3.8094 4.8548 0.0000 H 0 0 0
- -3.7251 3.4031 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 2 0
- 11 16 1 0
- 12 17 1 0
- 12 18 2 0
- 13 19 1 0
- 16 20 1 0
- 17 21 1 0
- 19 22 2 0
- 19 23 1 0
- 21 24 2 0
- 21 25 1 0
- 23 26 1 0
- 7 9 1 0
- 10 11 2 0
- 13 17 2 0
- 14 15 1 0
- 22 24 1 0
- 3 27 1 0
- 7 28 1 0
- 8 29 1 0
- 10 30 1 0
- 15 31 1 0
- 20 32 1 0
- 20 33 1 0
- 20 34 1 0
- 22 35 1 0
- 24 36 1 0
- 25 37 1 0
- 26 38 1 0
- 26 39 1 0
- 26 40 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2298-13-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 34 1 V2000
- 0.1449 -1.1917 0.2862 C 0 0 0
- -0.9557 -0.3831 0.3481 N 0 0 0
- 1.3465 -0.7887 0.8755 C 0 0 0
- 0.0724 -2.4277 -0.3616 C 0 0 0
- -2.0631 -0.7581 -0.1969 N 0 0 0
- 2.4524 -1.6096 0.8090 C 0 0 0
- 1.4329 0.5394 1.5823 C 0 0 0
- 1.1870 -3.2382 -0.4201 C 0 0 0
- -3.1615 0.0489 -0.1351 C 0 0 0
- 2.3747 -2.8300 0.1606 C 0 0 0
- -4.3638 -0.3562 -0.7257 C 0 0 0
- -3.0904 1.2809 0.5239 C 0 0 0
- -5.4695 0.4604 -0.6608 C 0 0 0
- -4.2009 2.0921 0.5845 C 0 0 0
- -5.3933 1.6880 -0.0087 C 0 0 0
- -6.7646 0.0254 -1.2969 C 0 0 0
- -6.5144 2.5114 0.0548 N 0 0 0
- 11.7064 1.5952 -0.4923 Cl 0 0 0
- -0.8089 -2.8445 0.0000 H 0 0 0
- 3.3367 -1.1994 0.0000 H 0 0 0
- 2.4057 0.4761 0.0000 H 0 0 0
- 1.4962 1.5122 0.0000 H 0 0 0
- 0.4601 0.6027 0.0000 H 0 0 0
- 1.0424 -4.2023 0.0000 H 0 0 0
- 3.1498 -3.4213 0.0000 H 0 0 0
- -4.5148 -1.3193 0.0000 H 0 0 0
- -2.2089 1.6971 0.0000 H 0 0 0
- -4.0532 3.0557 0.0000 H 0 0 0
- -7.0750 0.9495 0.0000 H 0 0 0
- -7.6887 -0.2850 0.0000 H 0 0 0
- -6.4542 -0.8987 0.0000 H 0 0 0
- -6.4075 3.4804 0.0000 H 0 0 0
- -7.4070 2.1195 0.0000 H 0 0 0
- 12.6813 1.5952 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 3 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
- 9 11 1 0
- 9 12 2 0
- 11 13 2 0
- 12 14 1 0
- 13 15 1 0
- 13 16 1 0
- 15 17 1 0
- 8 10 2 0
- 14 15 2 0
- 4 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 14 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23165-19-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- -2.6751 0.9665 -0.0155 N 0 3 0
- -3.4726 0.3432 1.0489 C 0 0 0
- -1.6320 -0.0006 -0.3818 C 0 0 0
- -3.5255 1.2532 -1.1785 C 0 0 0
- -2.0604 2.2063 0.4774 C 0 0 0
- -4.0782 -0.9638 0.5353 C 0 0 0
- -2.2836 -1.2990 -0.8596 C 0 0 0
- -3.0355 -1.8810 0.2051 O 0 0 0
- 8.2043 -0.0545 0.0350 Cl 0 0 0
- -3.7775 1.3372 0.0000 H 0 0 0
- -4.5099 0.4140 0.0000 H 0 0 0
- -0.7507 -0.5522 0.0000 H 0 0 0
- -0.9999 0.8249 0.0000 H 0 0 0
- -3.1934 2.2384 0.0000 H 0 0 0
- -4.5107 1.5853 0.0000 H 0 0 0
- -3.8576 0.2680 0.0000 H 0 0 0
- -1.1289 1.7445 0.0000 H 0 0 0
- -1.5986 3.1378 0.0000 H 0 0 0
- -2.9919 2.6681 0.0000 H 0 0 0
- -4.9754 -0.4384 0.0000 H 0 0 0
- -4.6870 -1.8066 0.0000 H 0 0 0
- -1.9922 -2.2970 0.0000 H 0 0 0
- -1.2482 -1.3930 0.0000 H 0 0 0
- 9.2440 -0.0545 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 8 1 0
- 2 10 1 0
- 2 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 5 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 7 23 1 0
- 9 24 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23537-16-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 62 69 1 V2000
- -1.3784 -1.1659 0.1341 C 0 0 2
- -0.5679 -2.3751 0.6132 C 0 0 0
- -1.0565 -0.9794 -1.3728 C 0 0 2
- -1.0227 0.1193 0.8252 C 0 0 0
- -2.8541 -1.4498 0.2780 C 0 0 0
- 0.6014 -2.4436 -0.4313 C 0 0 0
- 0.2008 -2.0209 1.9030 C 0 0 0
- -0.1557 -2.1877 -1.7508 C 0 0 0
- -0.0828 0.1938 -1.4412 C 0 0 0
- 0.1939 0.3207 1.3796 C 0 0 0
- -1.9799 1.1667 0.9216 C 0 0 0
- -3.7931 -0.3277 0.0914 C 0 0 0
- -3.2546 -2.5642 0.5383 O 0 0 0
- 1.4484 -1.2185 -0.0674 C 0 0 2
- 1.1348 -0.8789 1.4125 C 0 0 2
- -0.7114 -1.5058 2.8749 O 0 0 0
- -0.9767 -3.3169 -2.0556 O 0 0 0
- 1.1372 -0.0015 -0.8918 C 0 0 0
- -0.4211 1.3632 -2.0194 O 0 0 0
- 0.5564 1.5197 1.8770 O 0 0 0
- -3.3489 0.9754 0.4076 C 0 0 0
- -1.6674 2.2275 1.4318 O 0 0 0
- -5.0817 -0.5289 -0.3836 C 0 0 0
- 2.9150 -1.5617 -0.1810 C 0 0 0
- 2.1159 1.0168 -1.0516 C 0 0 0
- -4.2135 2.0553 0.2301 C 0 0 0
- -5.9285 0.5549 -0.5512 C 0 0 0
- 3.8885 -0.4565 -0.1015 C 0 0 0
- 3.2799 -2.7079 -0.3329 O 0 0 0
- 3.4820 0.8266 -0.5287 C 0 0 0
- 1.8252 2.0519 -1.6238 O 0 0 0
- -5.5004 1.8330 -0.2501 C 0 0 0
- -3.8026 3.3143 0.5241 O 0 0 0
- -7.3279 0.3373 -1.0665 C 0 0 0
- 5.1753 -0.6553 0.3812 C 0 0 0
- 4.3808 1.8908 -0.4508 C 0 0 0
- 6.0558 0.4118 0.4481 C 0 0 0
- 5.6640 1.6718 0.0390 C 0 0 0
- 4.0056 3.1316 -0.8509 O 0 0 0
- 7.4526 0.1965 0.9713 C 0 0 0
- -1.0690 -3.2514 0.0000 H 0 0 0
- -1.7080 -0.2084 0.0000 H 0 0 0
- 1.0438 -3.3509 0.0000 H 0 0 0
- 0.8185 -2.8193 0.0000 H 0 0 0
- 0.4374 -1.3709 0.0000 H 0 0 0
- 1.9034 -0.2244 0.0000 H 0 0 0
- -1.5904 -1.0094 0.0000 H 0 0 0
- -1.5703 -4.1334 0.0000 H 0 0 0
- -0.7016 2.3329 0.0000 H 0 0 0
- 0.8485 2.4860 0.0000 H 0 0 0
- -5.4527 -1.4677 0.0000 H 0 0 0
- -6.1579 2.5990 0.0000 H 0 0 0
- -3.4894 4.2739 0.0000 H 0 0 0
- -7.4830 1.3348 0.0000 H 0 0 0
- -8.3254 0.1822 0.0000 H 0 0 0
- -7.1728 -0.6602 0.0000 H 0 0 0
- 5.5345 -1.5987 0.0000 H 0 0 0
- 6.3290 2.4313 0.0000 H 0 0 0
- 3.7134 4.0979 0.0000 H 0 0 0
- 7.2988 -0.8012 0.0000 H 0 0 0
- 8.4503 0.0427 0.0000 H 0 0 0
- 7.6064 1.1942 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 5 13 2 0
- 14 6 1 0
- 15 7 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 2 0
- 9 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 2 0
- 12 23 2 0
- 14 24 1 0
- 18 25 1 0
- 21 26 2 0
- 23 27 1 0
- 24 28 1 0
- 24 29 2 0
- 25 30 1 0
- 25 31 2 0
- 26 32 1 0
- 26 33 1 0
- 27 34 1 0
- 28 35 1 0
- 30 36 1 0
- 35 37 2 0
- 36 38 2 0
- 36 39 1 0
- 37 40 1 0
- 6 8 1 0
- 10 15 1 0
- 12 21 1 0
- 14 15 1 0
- 14 18 1 0
- 27 32 2 0
- 28 30 2 0
- 37 38 1 0
- 2 41 1 0
- 3 42 1 0
- 6 43 1 0
- 7 44 1 0
- 8 45 1 0
- 15 46 1 0
- 16 47 1 0
- 17 48 1 0
- 19 49 1 0
- 20 50 1 0
- 23 51 1 0
- 32 52 1 0
- 33 53 1 0
- 34 54 1 0
- 34 55 1 0
- 34 56 1 0
- 35 57 1 0
- 38 58 1 0
- 39 59 1 0
- 40 60 1 0
- 40 61 1 0
- 40 62 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-23541-50-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 72 1 V2000
- -0.2215 1.0454 -1.6250 C 0 0 0
- -1.1967 0.4860 -0.8382 C 0 0 0
- 0.9778 0.3577 -1.8519 C 0 0 0
- -0.3752 2.4001 -2.2675 C 0 0 0
- -2.5111 1.1716 -0.5660 C 0 0 2
- -0.9928 -0.7714 -0.2546 C 0 0 0
- 1.1947 -0.8950 -1.2808 C 0 0 0
- 1.9352 0.9152 -2.6339 O 0 0 0
- -1.8434 2.8187 -2.2971 C 0 0 2
- -2.4177 2.6621 -0.8840 C 0 0 0
- -2.8527 1.0046 0.8115 O 0 0 0
- 0.1950 -1.4675 -0.4688 C 0 0 0
- -1.9595 -1.3154 0.5257 O 0 0 0
- 2.4556 -1.6181 -1.5194 C 0 0 0
- -2.6034 1.9376 -3.2548 C 0 0 0
- -1.9471 4.1823 -2.7116 O 0 0 0
- -4.2494 0.7058 0.8574 C 0 0 1
- 0.4097 -2.7903 0.1439 C 0 0 0
- 2.6702 -2.9449 -0.9050 C 0 0 0
- 3.3177 -1.1247 -2.2205 O 0 0 0
- -3.9073 2.4125 -3.8425 C 0 0 0
- -2.1677 0.8511 -3.5512 O 0 0 0
- -4.5513 -0.1318 2.1020 C 0 0 0
- -4.9944 1.9214 0.9007 O 0 0 0
- 1.6714 -3.5147 -0.0938 C 0 0 0
- -0.4528 -3.2837 0.8452 O 0 0 0
- 3.8579 -3.6349 -1.1238 C 0 0 0
- -4.1276 0.6543 3.3479 C 0 0 1
- -4.4778 2.7061 1.9739 C 0 0 2
- 1.8836 -4.7707 0.4829 C 0 0 0
- 4.0544 -4.8783 -0.5458 C 0 0 0
- -4.7984 2.0321 3.3100 C 0 0 1
- -4.5591 -0.0673 4.5525 N 0 0 0
- -5.1125 4.0978 1.9395 C 0 0 0
- 3.0791 -5.4436 0.2504 C 0 0 0
- 0.9284 -5.3305 1.2659 O 0 0 0
- -6.2132 1.8768 3.4377 O 0 0 0
- 1.4369 -6.5941 1.6982 C 0 0 0
- 15.0036 4.8748 2.2829 Cl 0 0 0
- 0.5800 2.3836 0.0000 H 0 0 0
- -0.2348 3.3451 0.0000 H 0 0 0
- -2.5236 0.2163 0.0000 H 0 0 0
- 2.7608 1.3959 0.0000 H 0 0 0
- -2.5667 3.6058 0.0000 H 0 0 0
- -3.3720 2.6172 0.0000 H 0 0 0
- -2.7921 -1.7839 0.0000 H 0 0 0
- -2.0195 5.1349 0.0000 H 0 0 0
- -5.1998 0.6086 0.0000 H 0 0 0
- -3.5804 3.3102 0.0000 H 0 0 0
- -4.8050 2.7394 0.0000 H 0 0 0
- -4.2342 1.5148 0.0000 H 0 0 0
- -5.4988 -0.2539 0.0000 H 0 0 0
- -4.0100 -0.9190 0.0000 H 0 0 0
- 4.6461 -3.0950 0.0000 H 0 0 0
- -3.1724 0.6346 0.0000 H 0 0 0
- -3.5225 2.6984 0.0000 H 0 0 0
- 4.9170 -5.2890 0.0000 H 0 0 0
- -3.8431 2.0364 0.0000 H 0 0 0
- -5.5143 -0.0527 0.0000 H 0 0 0
- -4.0942 -0.9019 0.0000 H 0 0 0
- -4.2433 4.4942 0.0000 H 0 0 0
- -5.5089 4.9670 0.0000 H 0 0 0
- -5.9817 3.7014 0.0000 H 0 0 0
- 3.0851 -6.3989 0.0000 H 0 0 0
- -7.1629 1.7726 0.0000 H 0 0 0
- 0.5506 -6.9508 0.0000 H 0 0 0
- 1.7936 -7.4804 0.0000 H 0 0 0
- 2.3232 -6.2374 0.0000 H 0 0 0
- 15.9590 4.8748 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 17 11 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 1 0
- 23 28 1 0
- 24 29 1 0
- 25 30 1 0
- 27 31 2 0
- 28 32 1 0
- 28 33 1 0
- 29 34 1 0
- 30 35 2 0
- 30 36 1 0
- 32 37 1 0
- 36 38 1 0
- 7 12 2 0
- 9 10 1 0
- 19 25 2 0
- 29 32 1 0
- 31 35 1 0
- 4 40 1 0
- 4 41 1 0
- 5 42 1 0
- 8 43 1 0
- 10 44 1 0
- 10 45 1 0
- 13 46 1 0
- 16 47 1 0
- 17 48 1 0
- 21 49 1 0
- 21 50 1 0
- 21 51 1 0
- 23 52 1 0
- 23 53 1 0
- 27 54 1 0
- 28 55 1 0
- 29 56 1 0
- 31 57 1 0
- 32 58 1 0
- 33 59 1 0
- 33 60 1 0
- 34 61 1 0
- 34 62 1 0
- 34 63 1 0
- 35 64 1 0
- 37 65 1 0
- 38 66 1 0
- 38 67 1 0
- 38 68 1 0
- 39 69 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-23815-63-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 28 1 V2000
- -0.3523 -0.2609 -0.0561 C 0 0 0
- -1.5265 -1.0040 -0.0501 C 0 0 0
- -0.4121 1.1273 -0.0196 C 0 0 0
- 1.2088 -1.0767 -0.1024 S 0 0 0
- -2.7481 -0.3613 -0.0080 C 0 0 0
- -1.4680 -2.4825 -0.0892 N 0 3 0
- -1.6370 1.7629 0.0223 C 0 0 0
- 2.3156 0.3604 -0.0924 C 0 0 0
- -2.8038 1.0200 0.0282 C 0 0 0
- -2.4977 -3.1331 -0.0840 O 0 0 0
- -0.3902 -3.0486 -0.1268 O 0 5 0
- 3.7693 -0.1152 -0.1294 C 0 0 1
- -4.1151 1.7051 0.0732 N 0 3 0
- 4.6889 1.0787 -0.1211 C 0 0 0
- 4.0413 -0.9509 1.0477 N 0 0 0
- -4.1658 2.9217 0.1051 O 0 0 0
- -5.1434 1.0524 0.0784 O 0 5 0
- 5.0768 1.6351 -1.2794 O 0 0 0
- 5.0769 1.5351 0.9282 O 0 0 0
- 0.4621 1.6847 0.0000 H 0 0 0
- -3.6247 -0.9150 0.0000 H 0 0 0
- -1.6828 2.7987 0.0000 H 0 0 0
- 2.7474 1.3030 0.0000 H 0 0 0
- 1.4279 0.8961 0.0000 H 0 0 0
- 3.0356 -0.8478 0.0000 H 0 0 0
- 3.3479 -1.7218 0.0000 H 0 0 0
- 5.0556 -1.1660 0.0000 H 0 0 0
- 5.6698 2.4856 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 2 0
- 6 11 1 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 2 0
- 13 17 1 0
- 14 18 1 0
- 14 19 2 0
- 7 9 1 0
- 3 20 1 0
- 5 21 1 0
- 7 22 1 0
- 8 23 1 0
- 8 24 1 0
- 12 25 1 0
- 15 26 1 0
- 15 27 1 0
- 18 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-24169-02-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 44 45 1 V2000
- -1.2024 -0.6538 -0.0381 C 0 0 0
- -1.7302 0.7570 0.0087 C 0 0 0
- -0.2237 -1.0562 0.8536 C 0 0 0
- -1.7001 -1.5471 -0.9677 C 0 0 0
- -0.8890 1.6468 -0.9087 C 0 0 0
- -3.0901 0.7716 -0.4298 O 0 0 0
- 0.2602 -2.3511 0.8109 C 0 0 0
- 0.3970 0.0644 2.0253 Cl 0 0 0
- -1.2168 -2.8416 -1.0109 C 0 0 0
- 0.4610 1.7805 -0.3556 N 0 0 0
- -3.9024 0.8194 0.7450 C 0 0 0
- -0.2346 -3.2435 -0.1235 C 0 0 0
- 1.5580 1.0389 -0.7025 C 0 0 0
- 0.8569 2.6622 0.5875 C 0 0 0
- -5.3566 0.8370 0.3499 C 0 0 0
- 0.3726 -4.8689 -0.1783 Cl 0 0 0
- 2.5845 1.4891 0.0439 C 0 0 0
- 2.1276 2.4809 0.8228 N 0 0 0
- -6.2003 -0.1727 0.7745 C 0 0 0
- -5.8475 1.8655 -0.4321 C 0 0 0
- -7.5340 -0.1569 0.4128 C 0 0 0
- -7.1814 1.8824 -0.7945 C 0 0 0
- -8.0249 0.8697 -0.3744 C 0 0 0
- -9.7002 0.8903 -0.8291 Cl 0 0 0
- 14.2247 0.7196 -0.4284 N 0 3 0
- 13.4845 1.2397 0.3871 O 0 0 0
- 15.2164 0.1191 -0.0549 O 0 0 0
- 13.9706 0.7957 -1.6172 O 0 5 0
- -2.1055 1.6414 0.0000 H 0 0 0
- -2.6581 -1.4746 0.0000 H 0 0 0
- -0.7107 2.5909 0.0000 H 0 0 0
- -1.7447 2.0836 0.0000 H 0 0 0
- 1.2183 -2.4224 0.0000 H 0 0 0
- -1.9066 -3.5103 0.0000 H 0 0 0
- -3.3865 1.6299 0.0000 H 0 0 0
- -4.3596 1.6644 0.0000 H 0 0 0
- 1.4711 0.0821 0.0000 H 0 0 0
- 0.3933 3.5037 0.0000 H 0 0 0
- 3.4827 1.1480 0.0000 H 0 0 0
- -5.7985 -1.0454 0.0000 H 0 0 0
- -5.3298 2.6748 0.0000 H 0 0 0
- -8.0511 -0.9666 0.0000 H 0 0 0
- -7.5835 2.7550 0.0000 H 0 0 0
- 12.6984 1.7921 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 10 13 1 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 1 0
- 15 20 2 0
- 19 21 2 0
- 20 22 1 0
- 21 23 1 0
- 23 24 1 0
- 25 26 1 0
- 25 27 2 0
- 25 28 1 0
- 9 12 2 0
- 17 18 1 0
- 22 23 2 0
- 2 29 1 0
- 4 30 1 0
- 5 31 1 0
- 5 32 1 0
- 7 33 1 0
- 9 34 1 0
- 11 35 1 0
- 11 36 1 0
- 13 37 1 0
- 14 38 1 0
- 17 39 1 0
- 19 40 1 0
- 20 41 1 0
- 21 42 1 0
- 22 43 1 0
- 26 44 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25013-15-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -7.9170 -0.9551 -0.0911 C 0 0 0
- -8.8728 0.0083 -0.4147 C 0 0 0
- -6.6563 -0.5563 0.3552 C 0 0 0
- -8.2403 -2.3921 -0.2147 C 0 0 0
- -8.5666 1.3482 -0.2918 C 0 0 0
- -6.3628 0.7864 0.4737 C 0 0 0
- -7.3300 -3.3052 0.0935 C 0 0 0
- -7.3152 1.7369 0.1512 C 0 0 0
- -6.9876 3.2019 0.2831 C 0 0 0
- 7.5393 -0.8367 -0.0649 C 0 0 0
- 6.5835 0.1267 -0.3885 C 0 0 0
- 8.8000 -0.4379 0.3814 C 0 0 0
- 7.2160 -2.2737 -0.1885 C 0 0 0
- 6.8898 1.4666 -0.2656 C 0 0 0
- 9.0936 0.9048 0.4999 C 0 0 0
- 8.1263 -3.1868 0.1197 C 0 0 0
- 8.1412 1.8553 0.1774 C 0 0 0
- 5.8588 2.5087 -0.6151 C 0 0 0
- -9.8514 -0.2714 0.0000 H 0 0 0
- -5.9045 -1.2425 0.0000 H 0 0 0
- -9.2181 -2.6746 0.0000 H 0 0 0
- -9.3133 2.0399 0.0000 H 0 0 0
- -5.3862 1.0731 0.0000 H 0 0 0
- -7.5949 -4.2879 0.0000 H 0 0 0
- -6.3465 -3.0433 0.0000 H 0 0 0
- -5.9943 2.9798 0.0000 H 0 0 0
- -6.7655 4.1952 0.0000 H 0 0 0
- -7.9809 3.4240 0.0000 H 0 0 0
- 5.6049 -0.1530 0.0000 H 0 0 0
- 9.5517 -1.1241 0.0000 H 0 0 0
- 6.2382 -2.5562 0.0000 H 0 0 0
- 10.0702 1.1915 0.0000 H 0 0 0
- 7.8614 -4.1695 0.0000 H 0 0 0
- 9.1098 -2.9249 0.0000 H 0 0 0
- 8.3847 2.8436 0.0000 H 0 0 0
- 6.5823 3.2245 0.0000 H 0 0 0
- 5.1430 3.2322 0.0000 H 0 0 0
- 5.1353 1.7929 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 2 0
- 5 8 2 0
- 8 9 1 0
- 10 11 2 0
- 10 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 2 0
- 13 16 2 0
- 14 17 2 0
- 14 18 1 0
- 6 8 1 0
- 15 17 1 0
- 2 19 1 0
- 3 20 1 0
- 4 21 1 0
- 5 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 9 26 1 0
- 9 27 1 0
- 9 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 15 32 1 0
- 16 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-25316-40-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 70 73 1 V2000
- -0.4298 1.1108 -1.5359 C 0 0 0
- -1.2198 0.4159 -0.6551 C 0 0 0
- 0.8256 0.6073 -1.9009 C 0 0 0
- -0.8510 2.4257 -2.1402 C 0 0 0
- -2.5831 0.9003 -0.2325 C 0 0 2
- -0.7700 -0.7957 -0.1135 C 0 0 0
- 1.2860 -0.5976 -1.3732 C 0 0 0
- 1.5989 1.2978 -2.7752 O 0 0 0
- -2.3591 2.6224 -2.0045 C 0 0 2
- -2.7458 2.3872 -0.5394 C 0 0 0
- -2.7526 0.6820 1.1695 O 0 0 0
- 0.4766 -1.3091 -0.4648 C 0 0 0
- -1.5547 -1.4741 0.7602 O 0 0 0
- 2.6059 -1.1270 -1.7569 C 0 0 0
- -3.0813 1.6355 -2.8851 C 0 0 0
- -2.7075 3.9543 -2.3874 O 0 0 0
- -4.0771 0.1772 1.3517 C 0 0 1
- 0.9498 -2.5836 0.1037 C 0 0 0
- 3.0797 -2.4054 -1.1868 C 0 0 0
- 3.3038 -0.5138 -2.5412 O 0 0 0
- -4.4224 1.9911 -3.4734 C 0 0 0
- -2.5854 0.5596 -3.1194 O 0 0 0
- -4.1337 -0.6550 2.6348 C 0 0 0
- -4.9929 1.2669 1.4418 O 0 0 0
- 2.2708 -3.1140 -0.2792 C 0 0 0
- 0.2515 -3.1969 0.8883 O 0 0 0
- 4.3250 -2.9129 -1.5426 C 0 0 0
- -4.8996 0.9011 -4.2647 O 0 0 0
- -3.7257 0.2268 3.8204 C 0 0 1
- -4.5088 2.1556 2.4468 C 0 0 2
- 2.7277 -4.3230 0.2546 C 0 0 0
- 4.7648 -4.1117 -1.0056 C 0 0 0
- -4.6008 1.4853 3.8195 C 0 0 1
- -3.9314 -0.5118 5.0735 N 0 0 0
- -5.3501 3.4335 2.4459 C 0 0 0
- 3.9766 -4.8124 -0.1154 C 0 0 0
- 1.9570 -5.0154 1.1295 O 0 0 0
- -5.9577 1.1222 4.0823 O 0 0 0
- 2.6905 -6.1884 1.4874 C 0 0 0
- 14.8719 4.9167 2.1697 Cl 0 0 0
- 0.1054 2.5834 0.0000 H 0 0 0
- -0.8674 3.3949 0.0000 H 0 0 0
- -3.5158 1.1641 0.0000 H 0 0 0
- 2.3219 1.9434 0.0000 H 0 0 0
- -3.1238 3.2797 0.0000 H 0 0 0
- -3.6838 2.1429 0.0000 H 0 0 0
- -2.2880 -2.1080 0.0000 H 0 0 0
- -2.9528 4.8920 0.0000 H 0 0 0
- -4.9986 -0.1236 0.0000 H 0 0 0
- -4.1264 2.9141 0.0000 H 0 0 0
- -5.3290 2.3339 0.0000 H 0 0 0
- -5.0495 -0.9726 0.0000 H 0 0 0
- -3.4832 -1.3736 0.0000 H 0 0 0
- 5.0224 -2.2397 0.0000 H 0 0 0
- -5.2883 0.0132 0.0000 H 0 0 0
- -2.7700 0.3889 0.0000 H 0 0 0
- -3.5635 2.3699 0.0000 H 0 0 0
- 5.7049 -4.3480 0.0000 H 0 0 0
- -3.6583 1.7116 0.0000 H 0 0 0
- -4.8701 -0.7535 0.0000 H 0 0 0
- -3.2528 -1.2039 0.0000 H 0 0 0
- -4.5405 3.9665 0.0000 H 0 0 0
- -5.8831 4.2431 0.0000 H 0 0 0
- -6.1597 2.9005 0.0000 H 0 0 0
- 4.1469 -5.7666 0.0000 H 0 0 0
- -6.8941 0.8716 0.0000 H 0 0 0
- 1.8687 -6.7023 0.0000 H 0 0 0
- 3.2044 -7.0102 0.0000 H 0 0 0
- 3.5123 -5.6745 0.0000 H 0 0 0
- 15.8412 4.9167 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 9 15 1 0
- 9 16 1 0
- 11 17 1 0
- 12 18 1 0
- 14 19 1 0
- 14 20 2 0
- 15 21 1 0
- 15 22 2 0
- 17 23 1 0
- 17 24 1 0
- 18 25 1 0
- 18 26 2 0
- 19 27 1 0
- 21 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 27 32 2 0
- 29 33 1 0
- 29 34 1 0
- 30 35 1 0
- 31 36 2 0
- 31 37 1 0
- 33 38 1 0
- 37 39 1 0
- 7 12 2 0
- 9 10 1 0
- 19 25 2 0
- 30 33 1 0
- 32 36 1 0
- 4 41 1 0
- 4 42 1 0
- 5 43 1 0
- 8 44 1 0
- 10 45 1 0
- 10 46 1 0
- 13 47 1 0
- 16 48 1 0
- 17 49 1 0
- 21 50 1 0
- 21 51 1 0
- 23 52 1 0
- 23 53 1 0
- 27 54 1 0
- 28 55 1 0
- 29 56 1 0
- 30 57 1 0
- 32 58 1 0
- 33 59 1 0
- 34 60 1 0
- 34 61 1 0
- 35 62 1 0
- 35 63 1 0
- 35 64 1 0
- 36 65 1 0
- 38 66 1 0
- 39 67 1 0
- 39 68 1 0
- 39 69 1 0
- 40 70 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2592-95-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -1.0046 0.2616 -0.2338 C 0 0 0
- -1.8835 -0.6673 0.3498 C 0 0 0
- 0.1260 -0.4435 -0.5713 N 0 0 0
- -1.3880 1.5924 -0.3623 C 0 0 0
- -3.1373 -0.2321 0.7995 C 0 0 0
- -1.2716 -1.8683 0.3453 N 0 0 0
- -0.1026 -1.7721 -0.1832 N 0 0 0
- 1.2922 0.0701 -1.1888 O 0 0 0
- -2.6184 1.9906 0.0797 C 0 0 0
- -3.4875 1.0796 0.6663 C 0 0 0
- 9.9486 0.4849 0.5721 O 0 0 0
- -0.6728 2.2847 0.0000 H 0 0 0
- -3.8664 -0.9097 0.0000 H 0 0 0
- 2.2032 0.4713 0.0000 H 0 0 0
- -2.8627 2.9555 0.0000 H 0 0 0
- -4.4518 1.3263 0.0000 H 0 0 0
- 8.9532 0.4849 0.0000 H 0 0 0
- 10.9440 0.4849 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 7 2 0
- 9 10 1 0
- 4 12 1 0
- 5 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-27046-19-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 0.4303 0.6436 0.2813 P 0 0 0
- -0.8439 -0.4503 0.3914 N 0 0 0
- 1.7374 0.1267 1.0578 O 0 0 0
- 1.0954 0.6493 -1.1803 O 0 0 0
- 0.0264 1.9997 0.7152 O 0 0 0
- -1.9677 0.1345 -0.3523 C 0 0 0
- -0.4319 -1.6536 -0.3435 C 0 0 0
- 2.6333 1.2350 1.1688 C 0 0 0
- 1.9362 1.8025 -1.2615 C 0 0 0
- -3.0158 0.6549 0.6333 C 0 0 0
- -0.0549 -2.7541 0.6503 C 0 0 0
- 3.0326 1.6654 -0.2266 C 0 0 0
- -4.3951 1.3726 -0.2795 Cl 0 0 0
- 0.4508 -4.2311 -0.2517 Cl 0 0 0
- 4.1857 1.8919 -0.5045 O 0 0 0
- -1.1665 0.6522 0.0000 H 0 0 0
- -2.0215 1.0869 0.0000 H 0 0 0
- -1.3680 -1.4700 0.0000 H 0 0 0
- -1.0589 -2.3725 0.0000 H 0 0 0
- 2.3314 2.1399 0.0000 H 0 0 0
- 1.6946 1.4048 0.0000 H 0 0 0
- 2.2116 2.7158 0.0000 H 0 0 0
- 1.0821 2.2272 0.0000 H 0 0 0
- -3.8170 0.1372 0.0000 H 0 0 0
- -2.9620 -0.2975 0.0000 H 0 0 0
- 0.8812 -2.9377 0.0000 H 0 0 0
- 0.5721 -2.0352 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 2 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 6 10 1 0
- 7 11 1 0
- 8 12 1 0
- 10 13 1 0
- 11 14 1 0
- 12 15 2 0
- 9 12 1 0
- 6 16 1 0
- 6 17 1 0
- 7 18 1 0
- 7 19 1 0
- 8 20 1 0
- 8 21 1 0
- 9 22 1 0
- 9 23 1 0
- 10 24 1 0
- 10 25 1 0
- 11 26 1 0
- 11 27 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-27833-64-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 57 1 V2000
- -4.1591 -0.3922 0.3187 C 0 0 0
- -5.2526 0.5799 0.1520 C 0 0 0
- -2.9389 0.0750 0.7516 N 0 0 0
- -4.2771 -1.6560 0.0885 N 0 0 0
- -6.5626 0.2494 0.5021 C 0 0 0
- -4.9710 1.8476 -0.3638 C 0 0 0
- -2.7196 0.4322 2.1623 C 0 0 0
- -1.8102 0.2277 -0.1804 C 0 0 0
- -5.4079 -2.2725 -0.3621 C 0 0 0
- -6.8683 -0.9603 1.0132 O 0 0 0
- -7.5741 1.1850 0.3263 C 0 0 0
- -5.9868 2.7677 -0.5291 C 0 0 0
- -1.4270 -0.2403 2.6359 C 0 0 0
- -0.5758 -0.4316 0.4432 C 0 0 0
- -6.6751 -1.9206 0.0976 C 0 0 0
- -5.2752 -3.2887 -1.3148 C 0 0 0
- -7.2865 2.4354 -0.1860 C 0 0 0
- -5.6345 4.3427 -1.1687 Cl 0 0 0
- -0.3180 0.1543 1.7597 N 0 0 0
- -7.7903 -2.5810 -0.4019 C 0 0 0
- -6.3928 -3.9366 -1.7999 C 0 0 0
- 0.8872 -0.5033 2.2822 C 0 0 0
- -7.6491 -3.5829 -1.3441 C 0 0 0
- 13.5282 -0.5614 -0.1768 C 0 0 0
- 12.4553 0.4650 -0.5460 C 0 0 0
- 14.7770 0.1551 0.2681 C 0 0 0
- 11.2065 -0.2516 -0.9909 C 0 0 0
- 15.8572 -0.5483 0.6424 O 0 0 0
- 14.8059 1.3629 0.2880 O 0 0 0
- 10.1263 0.4519 -1.3652 O 0 0 0
- 11.1775 -1.4593 -1.0107 O 0 0 0
- -4.0447 2.1424 0.0000 H 0 0 0
- -2.2507 1.2837 0.0000 H 0 0 0
- -3.5598 0.9211 0.0000 H 0 0 0
- -1.1090 0.9009 0.0000 H 0 0 0
- -2.2328 1.1031 0.0000 H 0 0 0
- -8.5030 0.8985 0.0000 H 0 0 0
- -2.0748 -0.9650 0.0000 H 0 0 0
- -0.8849 -1.0472 0.0000 H 0 0 0
- -1.0119 -1.3004 0.0000 H 0 0 0
- 0.3037 -0.8455 0.0000 H 0 0 0
- -4.4032 -3.7183 0.0000 H 0 0 0
- -7.9821 3.1144 0.0000 H 0 0 0
- -8.6664 -2.1599 0.0000 H 0 0 0
- -6.2712 -4.9010 0.0000 H 0 0 0
- 0.4216 -1.3566 0.0000 H 0 0 0
- 1.7405 -0.9689 0.0000 H 0 0 0
- 1.3528 0.3500 0.0000 H 0 0 0
- -8.3811 -4.2225 0.0000 H 0 0 0
- 12.7923 -1.1965 0.0000 H 0 0 0
- 14.0902 -1.3545 0.0000 H 0 0 0
- 13.1912 1.1001 0.0000 H 0 0 0
- 11.8933 1.2581 0.0000 H 0 0 0
- 16.6718 -1.0787 0.0000 H 0 0 0
- 9.3118 0.9824 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 2 0
- 9 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 1 0
- 15 20 1 0
- 16 21 2 0
- 19 22 1 0
- 20 23 2 0
- 24 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 26 29 2 0
- 27 30 1 0
- 27 31 2 0
- 10 15 1 0
- 12 17 1 0
- 14 19 1 0
- 21 23 1 0
- 6 32 1 0
- 7 33 1 0
- 7 34 1 0
- 8 35 1 0
- 8 36 1 0
- 11 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 14 41 1 0
- 16 42 1 0
- 17 43 1 0
- 20 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 22 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 28 54 1 0
- 30 55 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2898-11-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -1.5690 -1.2220 -0.4971 C 0 0 0
- -2.1985 0.0813 -0.1993 C 0 0 0
- -0.3500 -1.6662 0.2182 C 0 0 0
- -2.1283 -1.9706 -1.4091 N 0 0 0
- -3.5806 0.1435 0.0306 C 0 0 0
- -1.4359 1.2468 -0.1515 C 0 0 0
- 0.7368 -2.1691 -0.4964 C 0 0 0
- -0.2825 -1.5777 1.6086 C 0 0 0
- -3.2838 -1.4422 -2.1361 C 0 0 0
- -4.3180 -1.0331 0.0603 N 0 0 0
- -4.1872 1.3706 0.2542 C 0 0 0
- -2.0515 2.4580 0.0921 C 0 0 0
- 1.8697 -2.5809 0.1754 C 0 0 0
- 0.8556 -1.9925 2.2689 C 0 0 0
- -4.5477 -1.5043 -1.2942 C 0 0 0
- -5.6352 -0.6919 0.6139 C 0 0 0
- -3.4230 2.5205 0.2851 C 0 0 0
- -1.1033 3.9107 0.1573 Cl 0 0 0
- 1.9287 -2.4956 1.5548 C 0 0 0
- 12.8503 0.5023 -0.4127 Cl 0 0 0
- -0.4643 1.1937 0.0000 H 0 0 0
- 0.3659 -3.0687 0.0000 H 0 0 0
- -0.5559 -0.6439 0.0000 H 0 0 0
- -2.5904 -0.7595 0.0000 H 0 0 0
- -3.6747 -0.5511 0.0000 H 0 0 0
- -5.1583 1.4326 0.0000 H 0 0 0
- 2.1652 -3.5080 0.0000 H 0 0 0
- 1.2291 -1.0940 0.0000 H 0 0 0
- -5.4812 -1.2298 0.0000 H 0 0 0
- -4.6627 -2.4705 0.0000 H 0 0 0
- -5.3912 0.2501 0.0000 H 0 0 0
- -6.5772 -0.4479 0.0000 H 0 0 0
- -5.8792 -1.6339 0.0000 H 0 0 0
- -3.8631 3.3883 0.0000 H 0 0 0
- 2.8681 -2.2420 0.0000 H 0 0 0
- 13.8234 0.5023 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 2 0
- 12 18 1 0
- 13 19 2 0
- 10 15 1 0
- 12 17 1 0
- 14 19 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 9 25 1 0
- 11 26 1 0
- 13 27 1 0
- 14 28 1 0
- 15 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 16 33 1 0
- 17 34 1 0
- 19 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-2958-05-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 67 1 V2000
- 1.4344 -1.0604 -0.3823 C 0 0 1
- 0.1976 -0.9753 0.4847 C 0 0 1
- 2.2447 0.2280 -0.1663 C 0 0 1
- 2.2848 -2.2655 0.0231 C 0 0 0
- -0.6978 0.1498 -0.1077 C 0 0 1
- -0.7584 -2.1684 0.4598 C 0 0 0
- 3.5073 0.1726 -1.0277 C 0 0 2
- 1.4394 1.4764 -0.5206 C 0 0 0
- 3.5535 -2.3120 -0.8303 C 0 0 0
- -2.0098 -0.0284 0.6434 C 0 0 2
- 0.0565 1.4246 0.1134 C 0 0 0
- -0.9153 -0.0871 -1.6035 C 0 0 0
- -2.0941 -1.5452 0.9560 C 0 0 0
- 4.3587 -1.0275 -0.6094 C 0 0 2
- 4.3045 1.4658 -0.8658 C 0 0 0
- 3.1098 0.0221 -2.4975 C 0 0 0
- -3.1752 0.3708 -0.2640 C 0 0 1
- -0.3996 2.3451 0.7483 O 0 0 0
- 4.7091 -0.9088 0.8785 C 0 0 0
- 4.6512 1.6734 0.6121 C 0 0 0
- -4.4937 -0.0669 0.3770 C 0 0 0
- -3.1786 1.8892 -0.4515 C 0 0 0
- 5.3600 0.4355 1.1157 C 0 0 0
- -5.6591 0.3323 -0.5304 C 0 0 0
- 6.4178 0.5186 1.6923 O 0 0 0
- -6.9578 -0.0987 0.1010 C 0 0 0
- -8.1212 0.1485 -0.5213 O 0 0 0
- -6.9519 -0.6669 1.1673 O 0 0 0
- 0.9255 -1.9650 0.0000 H 0 0 0
- 0.6802 -0.0564 0.0000 H 0 0 0
- 2.7612 1.1283 0.0000 H 0 0 0
- 1.3278 -2.6673 0.0000 H 0 0 0
- 2.4710 -3.2866 0.0000 H 0 0 0
- -1.2707 -3.0711 0.0000 H 0 0 0
- 0.1006 -2.7509 0.0000 H 0 0 0
- 2.3976 1.8752 0.0000 H 0 0 0
- 1.2170 2.4902 0.0000 H 0 0 0
- 3.3361 -3.3269 0.0000 H 0 0 0
- 4.5152 -2.7023 0.0000 H 0 0 0
- -1.9088 1.0046 0.0000 H 0 0 0
- -1.6798 0.6148 0.0000 H 0 0 0
- -1.6172 -0.8516 0.0000 H 0 0 0
- -0.1508 -0.7890 0.0000 H 0 0 0
- -3.1148 -1.3568 0.0000 H 0 0 0
- -2.4103 -2.5338 0.0000 H 0 0 0
- 5.0022 -1.8418 0.0000 H 0 0 0
- 4.1232 2.4878 0.0000 H 0 0 0
- 3.2850 1.6602 0.0000 H 0 0 0
- 2.7423 0.9928 0.0000 H 0 0 0
- 2.1391 -0.3454 0.0000 H 0 0 0
- 3.4773 -0.9486 0.0000 H 0 0 0
- -3.1801 -0.6671 0.0000 H 0 0 0
- 4.7790 -1.9443 0.0000 H 0 0 0
- 5.7280 -1.1066 0.0000 H 0 0 0
- 5.5485 2.1950 0.0000 H 0 0 0
- 4.1238 2.5673 0.0000 H 0 0 0
- -5.1108 -0.9014 0.0000 H 0 0 0
- -3.8845 -0.9072 0.0000 H 0 0 0
- -2.1407 1.8915 0.0000 H 0 0 0
- -3.1809 2.9271 0.0000 H 0 0 0
- -4.2165 1.8869 0.0000 H 0 0 0
- -5.0419 1.1668 0.0000 H 0 0 0
- -6.2682 1.1727 0.0000 H 0 0 0
- -9.1364 0.3642 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 7 16 1 0
- 10 17 1 0
- 11 18 2 0
- 14 19 1 0
- 15 20 1 0
- 17 21 1 0
- 17 22 1 0
- 19 23 1 0
- 21 24 1 0
- 23 25 2 0
- 24 26 1 0
- 26 27 1 0
- 26 28 2 0
- 8 11 1 0
- 9 14 1 0
- 10 13 1 0
- 20 23 1 0
- 1 29 1 0
- 2 30 1 0
- 3 31 1 0
- 4 32 1 0
- 4 33 1 0
- 6 34 1 0
- 6 35 1 0
- 8 36 1 0
- 8 37 1 0
- 9 38 1 0
- 9 39 1 0
- 10 40 1 0
- 12 41 1 0
- 12 42 1 0
- 12 43 1 0
- 13 44 1 0
- 13 45 1 0
- 14 46 1 0
- 15 47 1 0
- 15 48 1 0
- 16 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 19 53 1 0
- 19 54 1 0
- 20 55 1 0
- 20 56 1 0
- 21 57 1 0
- 21 58 1 0
- 22 59 1 0
- 22 60 1 0
- 22 61 1 0
- 24 62 1 0
- 24 63 1 0
- 27 64 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-29767-20-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 78 85 1 V2000
- 3.5086 0.4290 -1.1926 C 0 0 2
- 2.7367 1.5485 -0.5160 C 0 0 0
- 2.5052 -0.5439 -1.7753 C 0 0 2
- 4.3621 -0.2802 -0.1729 C 0 0 0
- 1.4103 1.4299 -0.1619 C 0 0 0
- 3.4490 2.7233 -0.2670 C 0 0 0
- 1.5897 -0.9794 -0.5869 C 0 0 1
- 3.0446 -1.8639 -2.2415 C 0 0 0
- 5.5100 -0.9380 -0.5727 C 0 0 0
- 3.9977 -0.2662 1.1606 C 0 0 0
- 0.6084 0.1613 -0.3946 C 0 0 2
- 0.7277 2.4854 0.4459 C 0 0 0
- 2.7807 3.7713 0.3424 C 0 0 0
- 0.9968 -2.2516 -1.2120 C 0 0 0
- 2.1385 -2.8235 -1.9404 O 0 0 0
- 4.1056 -2.0402 -2.7920 O 0 0 0
- 6.2984 -1.5914 0.3626 C 0 0 0
- 4.7804 -0.9170 2.1019 C 0 0 0
- -0.1864 0.3097 -1.5729 O 0 0 0
- 1.4272 3.6537 0.6950 C 0 0 0
- 3.2184 5.0007 0.6973 O 0 0 0
- 5.9329 -1.5842 1.7032 C 0 0 0
- 7.4280 -2.2380 -0.0317 O 0 0 0
- 4.4209 -0.9031 3.4134 O 0 0 0
- -1.5387 0.4731 -1.1410 C 0 0 2
- 1.0239 4.8115 1.2658 O 0 0 0
- 2.2357 5.5076 1.6243 C 0 0 0
- 6.7038 -2.2243 2.6241 O 0 0 0
- 7.5299 -2.0660 -1.4466 C 0 0 0
- 3.6630 -2.0919 3.6466 C 0 0 0
- -1.9434 -0.6769 -0.3984 O 0 0 0
- -2.4441 0.6601 -2.3596 C 0 0 1
- -3.2245 -0.3919 0.1559 C 0 0 1
- -3.8914 0.8570 -1.8906 C 0 0 2
- -2.0212 1.8099 -3.0952 O 0 0 0
- -4.2610 -0.3103 -0.9705 C 0 0 2
- -3.6457 -1.4945 1.1297 C 0 0 0
- -4.7623 0.8648 -3.0235 O 0 0 0
- -5.5515 -0.1023 -0.3991 O 0 0 0
- -4.9781 -1.2292 1.5772 O 0 0 0
- -5.8239 -1.2319 0.4299 C 0 0 0
- -7.2653 -1.1973 0.8684 C 0 0 0
- -8.0940 -2.2297 1.1595 C 0 0 0
- -8.3222 0.2143 1.1467 S 0 0 0
- -9.3931 -1.9581 1.5458 C 0 0 0
- -9.7992 -0.6673 1.6245 C 0 0 0
- 4.2310 1.0894 0.0000 H 0 0 0
- 1.9469 0.2600 0.0000 H 0 0 0
- 4.4277 2.7344 0.0000 H 0 0 0
- 2.2845 -1.6687 0.0000 H 0 0 0
- 6.0676 -0.1336 0.0000 H 0 0 0
- 3.0838 0.0841 0.0000 H 0 0 0
- 0.1200 -0.6869 0.0000 H 0 0 0
- -0.2509 2.4685 0.0000 H 0 0 0
- 0.1136 -1.8298 0.0000 H 0 0 0
- 0.5667 -3.1308 0.0000 H 0 0 0
- -1.3809 1.4390 0.0000 H 0 0 0
- 2.8414 6.2764 0.0000 H 0 0 0
- 1.5959 6.2483 0.0000 H 0 0 0
- 7.4568 -2.8495 0.0000 H 0 0 0
- 8.3720 -2.5649 0.0000 H 0 0 0
- 8.0288 -1.2239 0.0000 H 0 0 0
- 6.6878 -1.5671 0.0000 H 0 0 0
- 2.8377 -1.5657 0.0000 H 0 0 0
- 3.1368 -2.9172 0.0000 H 0 0 0
- 4.4883 -2.6181 0.0000 H 0 0 0
- -2.6092 -0.3046 0.0000 H 0 0 0
- -3.0795 0.5760 0.0000 H 0 0 0
- -3.8209 1.8332 0.0000 H 0 0 0
- -1.6833 2.7285 0.0000 H 0 0 0
- -4.3774 -1.2821 0.0000 H 0 0 0
- -3.8904 -2.4422 0.0000 H 0 0 0
- -2.7132 -1.7919 0.0000 H 0 0 0
- -5.7410 0.8736 0.0000 H 0 0 0
- -5.8341 -2.2106 0.0000 H 0 0 0
- -7.7638 -3.1511 0.0000 H 0 0 0
- -10.0502 -2.6835 0.0000 H 0 0 0
- -10.7138 -0.3189 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 7 14 1 0
- 8 15 1 0
- 8 16 2 0
- 9 17 1 0
- 10 18 2 0
- 11 19 1 0
- 12 20 2 0
- 13 21 1 0
- 17 22 2 0
- 17 23 1 0
- 18 24 1 0
- 25 19 1 0
- 20 26 1 0
- 21 27 1 0
- 22 28 1 0
- 23 29 1 0
- 24 30 1 0
- 25 31 1 0
- 25 32 1 0
- 31 33 1 0
- 32 34 1 0
- 32 35 1 0
- 33 36 1 0
- 33 37 1 0
- 34 38 1 0
- 36 39 1 0
- 37 40 1 0
- 39 41 1 0
- 41 42 1 0
- 42 43 2 0
- 42 44 1 0
- 43 45 1 0
- 44 46 1 0
- 7 11 1 0
- 13 20 1 0
- 14 15 1 0
- 18 22 1 0
- 26 27 1 0
- 34 36 1 0
- 40 41 1 0
- 45 46 2 0
- 1 47 1 0
- 3 48 1 0
- 6 49 1 0
- 7 50 1 0
- 9 51 1 0
- 10 52 1 0
- 11 53 1 0
- 12 54 1 0
- 14 55 1 0
- 14 56 1 0
- 25 57 1 0
- 27 58 1 0
- 27 59 1 0
- 28 60 1 0
- 29 61 1 0
- 29 62 1 0
- 29 63 1 0
- 30 64 1 0
- 30 65 1 0
- 30 66 1 0
- 32 67 1 0
- 33 68 1 0
- 34 69 1 0
- 35 70 1 0
- 36 71 1 0
- 37 72 1 0
- 37 73 1 0
- 38 74 1 0
- 41 75 1 0
- 43 76 1 0
- 45 77 1 0
- 46 78 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-299-11-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 37 1 V2000
- -5.8954 1.0694 -0.1159 C 0 0 0
- -6.8007 0.0913 0.4998 C 0 0 0
- -4.7088 0.6864 -0.5742 N 0 3 0
- -6.3105 2.4159 -0.2029 C 0 0 0
- -6.4393 -1.1830 0.6017 N 0 0 0
- -8.0537 0.5338 0.9763 C 0 0 0
- -4.3468 -0.5880 -0.4715 C 0 0 0
- -3.8056 1.6624 -1.1890 C 0 0 0
- -7.5270 2.7747 0.2801 C 0 0 0
- -5.2528 -1.5663 0.1426 C 0 0 0
- -8.3921 1.8427 0.8563 C 0 0 0
- -3.0939 -1.0302 -0.9471 C 0 0 0
- -4.8362 -2.9115 0.2338 C 0 0 0
- -2.7550 -2.3393 -0.8263 C 0 0 0
- -3.6176 -3.2699 -0.2455 C 0 0 0
- 9.3374 0.4132 -0.1324 S 0 0 0
- 8.3989 -0.6008 0.5059 O 0 0 0
- 10.4979 -0.3167 -0.5062 O 0 0 0
- 8.5316 1.1842 -1.0130 O 0 0 0
- 9.7859 1.3705 0.9626 O 0 0 0
- 9.1884 -1.3899 1.3981 C 0 0 0
- -5.6112 3.1238 0.0000 H 0 0 0
- -8.7871 -0.1387 0.0000 H 0 0 0
- -3.0753 0.9866 0.0000 H 0 0 0
- -3.1298 2.3927 0.0000 H 0 0 0
- -4.5359 2.3382 0.0000 H 0 0 0
- -7.7904 3.7343 0.0000 H 0 0 0
- -9.3568 2.0866 0.0000 H 0 0 0
- -2.3607 -0.3575 0.0000 H 0 0 0
- -5.5348 -3.6201 0.0000 H 0 0 0
- -1.7902 -2.5827 0.0000 H 0 0 0
- -3.3535 -4.2293 0.0000 H 0 0 0
- 8.4850 -2.0937 0.0000 H 0 0 0
- 9.8922 -2.0933 0.0000 H 0 0 0
- 9.8918 -0.6861 0.0000 H 0 0 0
- 10.2081 2.2716 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 10 13 2 0
- 12 14 1 0
- 13 15 1 0
- 16 17 1 0
- 16 18 2 0
- 16 19 2 0
- 16 20 1 0
- 17 21 1 0
- 7 10 1 0
- 9 11 1 0
- 14 15 2 0
- 4 22 1 0
- 6 23 1 0
- 8 24 1 0
- 8 25 1 0
- 8 26 1 0
- 9 27 1 0
- 11 28 1 0
- 12 29 1 0
- 13 30 1 0
- 14 31 1 0
- 15 32 1 0
- 21 33 1 0
- 21 34 1 0
- 21 35 1 0
- 20 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-299-75-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- 4.2760 0.0843 -0.1539 S 0 0 0
- 2.9803 -0.7142 -0.1546 O 0 0 0
- 4.6279 0.2993 1.6126 C 0 0 0
- 5.1965 -0.8084 -0.7663 O 0 0 0
- 3.8919 1.3088 -0.7641 O 0 0 0
- 1.9110 0.2338 -0.1536 C 0 0 0
- 0.5724 -0.5073 -0.1543 C 0 0 2
- -0.5724 0.5076 -0.1533 C 0 0 1
- 0.4821 -1.3285 1.0117 O 0 0 0
- -1.9110 -0.2335 -0.1540 C 0 0 0
- -0.4820 1.3265 1.0144 O 0 0 0
- -2.9803 0.7145 -0.1530 O 0 0 0
- -4.2760 -0.0840 -0.1537 S 0 0 0
- -4.6278 -0.3026 1.6124 C 0 0 0
- -5.1966 0.8100 -0.7642 O 0 0 0
- -3.8919 -1.3072 -0.7664 O 0 0 0
- 5.1297 -0.5220 0.0000 H 0 0 0
- 5.4492 0.8011 0.0000 H 0 0 0
- 4.1261 1.1206 0.0000 H 0 0 0
- 2.6268 0.8772 0.0000 H 0 0 0
- 1.3526 1.0178 0.0000 H 0 0 0
- -0.3257 -0.8535 0.0000 H 0 0 0
- -1.3735 1.0411 0.0000 H 0 0 0
- 0.3769 -2.2852 0.0000 H 0 0 0
- -2.6268 -0.8769 0.0000 H 0 0 0
- -1.3526 -1.0175 0.0000 H 0 0 0
- -0.3764 2.2832 0.0000 H 0 0 0
- -5.1358 0.5149 0.0000 H 0 0 0
- -5.4453 -0.8106 0.0000 H 0 0 0
- -4.1198 -1.1201 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 2 6 1 0
- 6 7 1 0
- 7 8 1 0
- 7 9 1 0
- 8 10 1 0
- 8 11 1 0
- 10 12 1 0
- 12 13 1 0
- 13 14 1 0
- 13 15 2 0
- 13 16 2 0
- 3 17 1 0
- 3 18 1 0
- 3 19 1 0
- 6 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
- 11 27 1 0
- 14 28 1 0
- 14 29 1 0
- 14 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-2997-92-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 33 1 V2000
- -5.9610 1.5333 -0.4635 C 0 0 0
- -6.8372 1.7282 0.7470 C 0 0 0
- -4.8132 0.6959 -0.1059 N 0 0 0
- -6.7656 0.8497 -1.5708 C 0 0 0
- -5.4653 2.8934 -0.9587 C 0 0 0
- -7.9774 2.4818 0.6531 N 0 0 0
- -6.5127 1.1841 1.8745 N 0 0 0
- -4.6291 -0.3843 -0.6862 N 0 0 0
- -3.4814 -1.2216 -0.3285 C 0 0 0
- -3.9696 -2.5613 0.1592 C 0 0 0
- -2.5918 -1.4195 -1.5575 C 0 0 0
- -2.6767 -0.5380 0.7788 C 0 0 0
- -3.0697 -3.5166 0.5523 N 0 0 0
- -5.2380 -2.8093 0.2066 N 0 0 0
- 8.4473 -0.0760 0.0621 Cl 0 0 0
- 17.0829 0.5759 0.0342 Cl 0 0 0
- -7.3932 1.5884 0.0000 H 0 0 0
- -7.5043 0.2221 0.0000 H 0 0 0
- -6.1380 0.1110 0.0000 H 0 0 0
- -4.5546 2.5615 0.0000 H 0 0 0
- -5.1334 3.8041 0.0000 H 0 0 0
- -6.3760 3.2253 0.0000 H 0 0 0
- -7.9189 3.4493 0.0000 H 0 0 0
- -8.8446 2.0487 0.0000 H 0 0 0
- -6.0162 0.3516 0.0000 H 0 0 0
- -2.8023 -2.3657 0.0000 H 0 0 0
- -1.6456 -1.6300 0.0000 H 0 0 0
- -2.3813 -0.4733 0.0000 H 0 0 0
- -2.0491 -1.2767 0.0000 H 0 0 0
- -1.9380 0.0896 0.0000 H 0 0 0
- -3.3043 0.2007 0.0000 H 0 0 0
- -3.3484 -4.4450 0.0000 H 0 0 0
- -2.1263 -3.2938 0.0000 H 0 0 0
- -6.1893 -2.9953 0.0000 H 0 0 0
- 9.4166 -0.0760 0.0000 H 0 0 0
- 18.0522 0.5759 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 2 0
- 8 9 1 0
- 9 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 10 14 2 0
- 4 17 1 0
- 4 18 1 0
- 4 19 1 0
- 5 20 1 0
- 5 21 1 0
- 5 22 1 0
- 6 23 1 0
- 6 24 1 0
- 7 25 1 0
- 11 26 1 0
- 11 27 1 0
- 11 28 1 0
- 12 29 1 0
- 12 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 15 35 1 0
- 16 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-302-70-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 20 1 V2000
- -2.3320 -0.3723 -0.3825 N 0 3 0
- -3.3192 0.3675 0.4151 C 0 0 0
- -1.1439 -0.6435 0.4377 C 0 0 0
- -2.9177 -1.6426 -0.8312 C 0 0 0
- -1.9488 0.4262 -1.5470 O 0 5 0
- -4.5566 0.6499 -0.4392 C 0 0 0
- -0.1157 -1.4139 -0.3931 C 0 0 0
- -5.7683 1.5579 0.5398 Cl 0 0 0
- 1.3426 -1.7468 0.6136 Cl 0 0 0
- 10.3103 1.0525 -0.0293 Cl 0 0 0
- -2.4995 0.8629 0.0000 H 0 0 0
- -3.4715 1.3131 0.0000 H 0 0 0
- -0.3243 -0.1480 0.0000 H 0 0 0
- -1.2961 0.3021 0.0000 H 0 0 0
- -3.7875 -1.2416 0.0000 H 0 0 0
- -3.3187 -2.5124 0.0000 H 0 0 0
- -2.0479 -2.0436 0.0000 H 0 0 0
- -5.3763 0.1545 0.0000 H 0 0 0
- -4.4043 -0.2957 0.0000 H 0 0 0
- -0.9353 -1.9094 0.0000 H 0 0 0
- 0.0365 -2.3595 0.0000 H 0 0 0
- 11.2681 1.0525 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 3 7 1 0
- 6 8 1 0
- 7 9 1 0
- 2 11 1 0
- 2 12 1 0
- 3 13 1 0
- 3 14 1 0
- 4 15 1 0
- 4 16 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 7 21 1 0
- 10 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-304-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 22 22 1 V2000
- -2.3592 -0.3745 -0.3667 C 0 0 0
- -3.3292 0.7892 -0.4759 C 0 0 0
- -1.0807 -0.1048 0.3835 C 0 0 0
- -2.9341 -1.7375 -0.1082 C 0 0 0
- -2.8556 2.0143 -0.1440 C 0 0 0
- -4.6574 0.5006 -0.8146 C 0 0 0
- -0.8170 1.1953 0.6453 N 0 0 0
- -0.2786 -1.0649 0.7565 N 0 0 0
- -4.2556 -1.8873 -0.2998 C 0 0 0
- -1.6253 2.1430 0.3611 N 0 0 0
- -5.0968 -0.7821 -0.7357 C 0 0 0
- 0.8993 -0.7630 1.4523 N 0 0 0
- 9.7209 -0.0609 -0.4029 Cl 0 0 0
- -1.7261 -1.1420 0.0000 H 0 0 0
- -2.3381 -2.5342 0.0000 H 0 0 0
- -3.4601 2.8045 0.0000 H 0 0 0
- -5.3189 1.2437 0.0000 H 0 0 0
- -4.6464 -2.8023 0.0000 H 0 0 0
- -6.0790 -0.9409 0.0000 H 0 0 0
- 1.5951 -1.4741 0.0000 H 0 0 0
- 1.1673 0.1952 0.0000 H 0 0 0
- 10.7158 -0.0609 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 7 10 2 0
- 9 11 1 0
- 1 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 9 18 1 0
- 11 19 1 0
- 12 20 1 0
- 12 21 1 0
- 13 22 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-3054-01-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 27 1 V2000
- 1.0968 0.4011 -0.9329 C 0 0 0
- -0.0321 -0.0677 0.4074 S 0 0 0
- 2.5213 0.2108 -0.4796 C 0 0 0
- -1.6262 0.2534 -0.3965 C 0 0 0
- 3.1548 -1.0009 -0.6817 C 0 0 0
- 3.1964 1.2500 0.1334 C 0 0 0
- -2.7623 -0.0799 0.5725 C 0 0 0
- 4.4617 -1.1755 -0.2657 C 0 0 0
- 4.5029 1.0754 0.5492 C 0 0 0
- -4.0866 0.1869 -0.0954 C 0 0 0
- -2.6821 -1.4967 0.9523 N 0 0 0
- 5.1347 -0.1385 0.3522 C 0 0 0
- -4.6348 -0.6891 -0.7215 O 0 0 0
- -4.6572 1.3977 0.0054 O 0 0 0
- 1.5577 1.2845 0.0000 H 0 0 0
- 0.4237 1.1357 0.0000 H 0 0 0
- -1.0961 1.0971 0.0000 H 0 0 0
- -2.2273 1.0481 0.0000 H 0 0 0
- 2.5832 -1.8170 0.0000 H 0 0 0
- 2.7802 2.1553 0.0000 H 0 0 0
- -2.8054 0.9156 0.0000 H 0 0 0
- 4.8781 -2.0807 0.0000 H 0 0 0
- 5.0752 1.8910 0.0000 H 0 0 0
- -3.5155 -2.0429 0.0000 H 0 0 0
- -1.7924 -1.9453 0.0000 H 0 0 0
- 6.1299 -0.1862 0.0000 H 0 0 0
- -5.0820 2.2990 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 2 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 6 2 0
- 10 7 1 0
- 11 7 1 0
- 12 8 2 0
- 13 10 2 0
- 14 10 1 0
- 9 12 1 0
- 1 15 1 0
- 1 16 1 0
- 4 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 12 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3081-61-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 25 1 V2000
- 0.5695 -0.5838 0.4154 C 0 0 0
- -0.6788 0.2022 0.0093 C 0 0 0
- 1.8005 0.1675 -0.0219 C 0 0 0
- -1.9286 -0.5605 0.4533 C 0 0 0
- 3.0239 -0.3383 0.2309 N 0 0 0
- 1.6903 1.2272 -0.6013 O 0 0 0
- -3.1581 0.2137 0.0533 C 0 0 0
- -1.9507 -1.8810 -0.1900 N 0 0 0
- 4.2206 0.3920 -0.1942 C 0 0 0
- -3.6696 0.0207 -1.0242 O 0 0 0
- -3.6850 1.1178 0.8940 O 0 0 0
- 5.4689 -0.3940 0.2118 C 0 0 0
- -0.1203 -1.3774 0.0000 H 0 0 0
- 1.2481 -1.3869 0.0000 H 0 0 0
- 0.0110 0.9957 0.0000 H 0 0 0
- -1.3574 1.0053 0.0000 H 0 0 0
- -1.0160 -1.0828 0.0000 H 0 0 0
- 3.1058 -1.3866 0.0000 H 0 0 0
- -2.8700 -2.3914 0.0000 H 0 0 0
- -1.0490 -2.4219 0.0000 H 0 0 0
- 4.9104 1.1855 0.0000 H 0 0 0
- 3.5420 1.1951 0.0000 H 0 0 0
- -4.2144 2.0262 0.0000 H 0 0 0
- 4.9087 -1.2838 0.0000 H 0 0 0
- 6.3587 -0.9542 0.0000 H 0 0 0
- 6.0291 0.4958 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 2 0
- 7 4 1 0
- 8 4 1 0
- 9 5 1 0
- 10 7 2 0
- 11 7 1 0
- 12 9 1 0
- 1 13 1 0
- 1 14 1 0
- 2 15 1 0
- 2 16 1 0
- 4 17 1 0
- 5 18 1 0
- 8 19 1 0
- 8 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-316-42-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 81 1 V2000
- -2.1006 2.4216 -1.2127 C 0 0 1
- -2.7626 3.4244 -0.3080 C 0 0 0
- -0.6775 2.7235 -1.3712 N 0 0 0
- -2.2682 1.0110 -0.6449 C 0 0 0
- -2.2076 4.6693 -0.0903 C 0 0 0
- -3.9539 3.0820 0.3137 C 0 0 0
- -0.1599 1.8324 -2.4153 C 0 0 0
- -0.5918 4.0957 -1.8864 C 0 0 0
- -1.6741 0.0035 -1.6355 C 0 0 1
- -2.8402 5.5754 0.7455 C 0 0 0
- -0.9104 5.0675 -0.7483 C 0 0 0
- -4.5896 3.9824 1.1500 C 0 0 0
- -0.2192 0.3836 -1.9251 C 0 0 1
- -1.7233 -1.3995 -1.0271 C 0 0 0
- -4.0295 5.2381 1.3675 C 0 0 0
- -5.7578 3.6419 1.7573 O 0 0 0
- 0.3450 -0.5433 -3.0038 C 0 0 0
- -3.1473 -1.9497 -1.1286 C 0 0 2
- -4.6481 6.1291 2.1878 O 0 0 0
- -6.0676 2.3108 1.3400 C 0 0 0
- 1.6587 -1.1557 -2.5139 C 0 0 0
- -3.2483 -3.2157 -0.3197 C 0 0 0
- -3.4663 -2.2050 -2.5351 N 0 0 0
- -3.8378 7.3060 2.2051 C 0 0 0
- -3.9810 -4.2974 -0.7627 C 0 0 0
- -2.5861 -3.2835 0.8972 C 0 0 0
- -4.8085 -2.8033 -2.5609 C 0 0 0
- -4.0567 -5.4481 0.0053 C 0 0 0
- -4.7095 -4.2528 -2.0825 C 0 0 0
- -2.6570 -4.4300 1.6682 C 0 0 0
- -3.3975 -5.5202 1.2202 C 0 0 0
- -2.0060 -4.4914 2.8607 O 0 0 0
- -3.4733 -6.6504 1.9727 O 0 0 0
- -1.3477 -3.2354 3.0370 C 0 0 0
- -4.2942 -7.5720 1.2522 C 0 0 0
- 13.0802 0.0415 0.0378 Cl 0 0 0
- 21.7140 -0.1025 0.6976 Cl 0 0 0
- -3.0052 2.2073 0.0000 H 0 0 0
- -3.1152 1.3942 0.0000 H 0 0 0
- -2.8891 0.3191 0.0000 H 0 0 0
- -4.2622 2.2050 0.0000 H 0 0 0
- 0.7050 1.4915 0.0000 H 0 0 0
- 0.4461 2.5374 0.0000 H 0 0 0
- 0.2414 3.6833 0.0000 H 0 0 0
- 0.1108 4.7045 0.0000 H 0 0 0
- -2.5751 -0.2255 0.0000 H 0 0 0
- -2.5280 6.4511 0.0000 H 0 0 0
- -0.0252 5.3515 0.0000 H 0 0 0
- -1.1888 5.9545 0.0000 H 0 0 0
- 0.6809 0.6162 0.0000 H 0 0 0
- -1.5076 -2.3038 0.0000 H 0 0 0
- -0.7983 -1.3071 0.0000 H 0 0 0
- -0.5624 -0.7454 0.0000 H 0 0 0
- 0.2443 -1.4675 0.0000 H 0 0 0
- -3.6107 -1.1438 0.0000 H 0 0 0
- -6.9730 2.5215 0.0000 H 0 0 0
- -6.2783 1.4054 0.0000 H 0 0 0
- -5.1622 2.1001 0.0000 H 0 0 0
- 1.2659 -1.9983 0.0000 H 0 0 0
- 2.5013 -1.5485 0.0000 H 0 0 0
- 2.0515 -0.3131 0.0000 H 0 0 0
- -2.9827 -2.9989 0.0000 H 0 0 0
- -3.0721 6.7788 0.0000 H 0 0 0
- -3.3106 8.0717 0.0000 H 0 0 0
- -4.6035 7.8332 0.0000 H 0 0 0
- -1.8772 -2.6821 0.0000 H 0 0 0
- -5.0853 -1.9158 0.0000 H 0 0 0
- -5.7222 -2.9745 0.0000 H 0 0 0
- -4.7689 -6.0456 0.0000 H 0 0 0
- -5.6389 -4.2761 0.0000 H 0 0 0
- -4.7263 -5.1823 0.0000 H 0 0 0
- -0.5243 -3.6670 0.0000 H 0 0 0
- -0.9161 -2.4120 0.0000 H 0 0 0
- -2.1711 -2.8038 0.0000 H 0 0 0
- -4.9884 -6.9537 0.0000 H 0 0 0
- -4.9125 -8.2662 0.0000 H 0 0 0
- -3.6000 -8.1903 0.0000 H 0 0 0
- 14.0098 0.0415 0.0000 H 0 0 0
- 22.6436 -0.1025 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 13 17 1 0
- 14 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 19 24 1 0
- 22 25 2 0
- 22 26 1 0
- 23 27 1 0
- 25 28 1 0
- 25 29 1 0
- 26 30 2 0
- 28 31 2 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 33 35 1 0
- 8 11 1 0
- 9 13 1 0
- 12 15 1 0
- 27 29 1 0
- 30 31 1 0
- 1 38 1 0
- 4 39 1 0
- 4 40 1 0
- 6 41 1 0
- 7 42 1 0
- 7 43 1 0
- 8 44 1 0
- 8 45 1 0
- 9 46 1 0
- 10 47 1 0
- 11 48 1 0
- 11 49 1 0
- 13 50 1 0
- 14 51 1 0
- 14 52 1 0
- 17 53 1 0
- 17 54 1 0
- 18 55 1 0
- 20 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 21 61 1 0
- 23 62 1 0
- 24 63 1 0
- 24 64 1 0
- 24 65 1 0
- 26 66 1 0
- 27 67 1 0
- 27 68 1 0
- 28 69 1 0
- 29 70 1 0
- 29 71 1 0
- 34 72 1 0
- 34 73 1 0
- 34 74 1 0
- 35 75 1 0
- 35 76 1 0
- 35 77 1 0
- 36 78 1 0
- 37 79 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-320-51-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 17 1 V2000
- -1.1495 -1.0412 -0.0007 C 0 0 0
- -0.8937 -2.4166 -0.0020 F 0 0 0
- -1.8849 -0.7026 -1.1416 F 0 0 0
- -1.8815 -0.7041 1.1429 F 0 0 0
- 0.1555 -0.2875 -0.0021 C 0 0 0
- 0.1545 1.0961 -0.0012 C 0 0 0
- 1.3514 -0.9787 0.0013 C 0 0 0
- -1.3504 1.9614 0.0022 Cl 0 0 0
- 1.3512 1.7914 -0.0025 C 0 0 0
- 2.5536 -0.2835 0.0000 C 0 0 0
- 2.5497 1.1057 -0.0048 C 0 0 0
- 3.7651 -0.9801 0.0039 N 0 0 0
- 1.3515 -2.0185 0.0000 H 0 0 0
- 1.3477 2.8312 0.0000 H 0 0 0
- 3.4484 1.6286 0.0000 H 0 0 0
- 3.7669 -2.0199 0.0000 H 0 0 0
- 4.6647 -0.4586 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 1 1 0
- 6 5 2 0
- 7 5 1 0
- 8 6 1 0
- 9 6 1 0
- 10 7 2 0
- 11 9 2 0
- 12 10 1 0
- 10 11 1 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 12 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-33069-62-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-113119 1 V2000
- -3.3547 -0.1305 0.4632 C 0 0 1
- -3.6651 -1.5861 0.5643 C 0 0 1
- -1.9224 0.3493 0.3550 C 0 0 1
- -3.9995 0.4135 -0.9312 C 0 0 2
- -5.1335 -1.9789 0.3205 C 0 0 2
- -3.3039 -2.5235 -0.5739 C 0 0 0
- -3.3124 -2.1616 1.8619 O 0 0 0
- -0.9726 -0.8278 0.7225 C 0 0 2
- -1.5938 0.6972 -1.0552 O 0 0 0
- -3.6164 1.8512 -0.4554 C 0 0 0
- -5.5217 0.3111 -0.6184 C 0 0 2
- -3.6383 -0.1167 -2.3010 C 0 0 0
- -4.5701 -3.1583 -0.3049 O 0 0 0
- -5.8598 -1.1749 -0.7481 C 0 0 0
- -3.9010 -3.2947 2.2759 C 0 0 0
- -1.0495 0.3175 1.8737 C 0 0 0
- 0.3147 -0.3451 -0.0206 C 0 0 0
- -1.1049 -2.1800 1.0391 O 0 0 0
- -1.1508 -0.2555 -1.8983 C 0 0 0
- -2.9121 2.1591 0.8780 C 0 0 2
- -3.9068 2.8103 -1.2177 O 0 0 0
- -6.2320 1.0397 -1.6229 O 0 0 0
- -3.4821 -3.9297 3.5768 C 0 0 0
- -4.7668 -3.8056 1.6055 O 0 0 0
- -1.5401 1.5810 1.1075 C 0 0 0
- -2.0493 -0.0479 2.9847 C 0 0 0
- 0.2853 0.5125 2.5959 C 0 0 0
- 0.5772 1.1270 0.0389 C 0 0 1
- -0.5625 0.1246 -3.1989 C 0 0 0
- -1.2352 -1.4272 -1.5890 O 0 0 0
- -3.7246 2.2932 2.0294 O 0 0 0
- -0.4932 2.1031 0.4347 C 0 0 0
- 1.9025 1.5072 0.4138 O 0 0 0
- -0.1632 -0.8618 -4.1032 C 0 0 0
- -0.4085 1.4716 -3.5320 C 0 0 0
- -4.2154 3.4958 2.3682 C 0 0 0
- -0.5339 3.4879 -0.1507 C 0 0 0
- 2.8445 1.6740 -0.5277 C 0 0 0
- 0.3849 -0.4998 -5.3160 C 0 0 0
- 0.1412 1.8196 -4.7485 C 0 0 0
- -5.0803 3.6385 3.5939 C 0 0 0
- -3.9637 4.4638 1.6903 O 0 0 0
- 4.2423 2.0751 -0.1322 C 0 0 1
- 2.5718 1.5027 -1.6922 O 0 0 0
- 0.5395 0.8373 -5.6376 C 0 0 0
- 4.8334 1.0139 0.7981 C 0 0 2
- 5.0545 2.1881 -1.3026 O 0 0 0
- 6.2807 1.3341 1.0699 C 0 0 0
- 4.7355 -0.3022 0.1622 N 0 0 0
- 6.6266 2.0817 2.1802 C 0 0 0
- 7.2627 0.8756 0.2122 C 0 0 0
- 4.6040 -1.4088 0.9203 C 0 0 0
- 7.9540 2.3754 2.4294 C 0 0 0
- 8.5905 1.1693 0.4615 C 0 0 0
- 4.5052 -2.7370 0.2785 C 0 0 0
- 4.5667 -1.3148 2.1316 O 0 0 0
- 8.9359 1.9216 1.5684 C 0 0 0
- 4.3690 -3.8852 1.0608 C 0 0 0
- 4.5420 -2.8479 -1.1122 C 0 0 0
- 4.2774 -5.1213 0.4557 C 0 0 0
- 4.4494 -4.0905 -1.7048 C 0 0 0
- 4.3203 -5.2249 -0.9235 C 0 0 0
- -3.1925 0.7182 0.0000 H 0 0 0
- -2.3876 1.0774 0.0000 H 0 0 0
- -5.8514 -2.4597 0.0000 H 0 0 0
- -2.9418 -3.3080 0.0000 H 0 0 0
- -2.5081 -2.1869 0.0000 H 0 0 0
- -5.2129 1.1181 0.0000 H 0 0 0
- -4.3524 -0.6032 0.0000 H 0 0 0
- -3.1518 -0.8308 0.0000 H 0 0 0
- -2.9242 0.3698 0.0000 H 0 0 0
- -6.6460 -0.8164 0.0000 H 0 0 0
- -6.3702 -1.8721 0.0000 H 0 0 0
- 0.4697 -1.1951 0.0000 H 0 0 0
- 1.1787 -0.3434 0.0000 H 0 0 0
- -1.1890 -3.0399 0.0000 H 0 0 0
- -2.6723 2.9892 0.0000 H 0 0 0
- -6.8352 1.6584 0.0000 H 0 0 0
- -4.2033 -4.4055 0.0000 H 0 0 0
- -3.0063 -4.6509 0.0000 H 0 0 0
- -2.7609 -3.4539 0.0000 H 0 0 0
- -2.3459 0.7636 0.0000 H 0 0 0
- -2.8608 -0.3445 0.0000 H 0 0 0
- -1.7527 -0.8594 0.0000 H 0 0 0
- 0.4102 -0.3425 0.0000 H 0 0 0
- 1.1403 0.6374 0.0000 H 0 0 0
- 0.1604 1.3675 0.0000 H 0 0 0
- -0.2409 0.8491 0.0000 H 0 0 0
- -0.4196 -1.6869 0.0000 H 0 0 0
- -1.1405 1.9307 0.0000 H 0 0 0
- 0.3298 3.5133 0.0000 H 0 0 0
- -0.5593 4.3516 0.0000 H 0 0 0
- -1.3976 3.4625 0.0000 H 0 0 0
- 1.1210 -0.9522 0.0000 H 0 0 0
- 0.4053 2.6423 0.0000 H 0 0 0
- -4.9396 4.4910 0.0000 H 0 0 0
- -5.9328 3.7792 0.0000 H 0 0 0
- -5.2210 2.7860 0.0000 H 0 0 0
- 4.0632 2.9204 0.0000 H 0 0 0
- 1.3957 0.9536 0.0000 H 0 0 0
- 3.9896 0.8279 0.0000 H 0 0 0
- 5.9103 2.3072 0.0000 H 0 0 0
- 5.5955 -0.3852 0.0000 H 0 0 0
- 6.0849 2.7549 0.0000 H 0 0 0
- 7.1682 0.0167 0.0000 H 0 0 0
- 8.0468 3.2345 0.0000 H 0 0 0
- 9.1332 0.4969 0.0000 H 0 0 0
- 9.7465 2.2209 0.0000 H 0 0 0
- 3.5089 -3.8024 0.0000 H 0 0 0
- 5.3995 -2.7419 0.0000 H 0 0 0
- 3.4243 -5.2584 0.0000 H 0 0 0
- 5.3096 -4.1715 0.0000 H 0 0 0
- 4.4406 -6.0805 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 4 12 1 0
- 5 13 1 0
- 5 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
- 10 21 2 0
- 11 22 1 0
- 15 23 1 0
- 15 24 2 0
- 16 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 19 29 1 0
- 19 30 2 0
- 20 31 1 0
- 25 32 2 0
- 28 33 1 0
- 29 34 1 0
- 29 35 2 0
- 31 36 1 0
- 32 37 1 0
- 33 38 1 0
- 34 39 2 0
- 35 40 1 0
- 36 41 1 0
- 36 42 2 0
- 38 43 1 0
- 38 44 2 0
- 39 45 1 0
- 43 46 1 0
- 43 47 1 0
- 46 48 1 0
- 46 49 1 0
- 48 50 1 0
- 48 51 2 0
- 49 52 1 0
- 50 53 2 0
- 51 54 1 0
- 52 55 1 0
- 52 56 2 0
- 53 57 1 0
- 55 58 1 0
- 55 59 2 0
- 58 60 2 0
- 59 61 1 0
- 60 62 1 0
- 6 13 1 0
- 11 14 1 0
- 20 25 1 0
- 28 32 1 0
- 40 45 2 0
- 54 57 2 0
- 61 62 2 0
- 1 63 1 0
- 3 64 1 0
- 5 65 1 0
- 6 66 1 0
- 6 67 1 0
- 11 68 1 0
- 12 69 1 0
- 12 70 1 0
- 12 71 1 0
- 14 72 1 0
- 14 73 1 0
- 17 74 1 0
- 17 75 1 0
- 18 76 1 0
- 20 77 1 0
- 22 78 1 0
- 23 79 1 0
- 23 80 1 0
- 23 81 1 0
- 26 82 1 0
- 26 83 1 0
- 26 84 1 0
- 27 85 1 0
- 27 86 1 0
- 27 87 1 0
- 28 88 1 0
- 34 89 1 0
- 35 90 1 0
- 37 91 1 0
- 37 92 1 0
- 37 93 1 0
- 39 94 1 0
- 40 95 1 0
- 41 96 1 0
- 41 97 1 0
- 41 98 1 0
- 43 99 1 0
- 45100 1 0
- 46101 1 0
- 47102 1 0
- 49103 1 0
- 50104 1 0
- 51105 1 0
- 53106 1 0
- 54107 1 0
- 57108 1 0
- 58109 1 0
- 59110 1 0
- 60111 1 0
- 61112 1 0
- 62113 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3311-98-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 23 1 V2000
- 0.9665 1.1726 0.0415 C 0 0 0
- 1.7178 -0.4463 0.0846 S 0 0 0
- 2.0553 1.9853 -0.0550 C 0 0 0
- -0.3878 1.5165 0.0884 N 0 0 0
- 3.4248 0.0638 -0.0282 C 0 0 0
- 3.3136 1.4122 -0.0904 C 0 0 0
- -1.3287 0.5516 0.0810 C 0 0 0
- 4.6473 -0.7720 -0.0486 N 0 3 0
- -2.6336 0.8833 0.0195 N 0 0 0
- -1.0004 -0.6182 0.1299 O 0 0 0
- 5.7430 -0.2464 -0.1310 O 0 0 0
- 4.5570 -1.9849 0.0171 O 0 5 0
- -3.6564 -0.1656 0.0115 C 0 0 0
- -5.0436 0.4755 -0.0627 C 0 0 0
- -6.3024 -0.8153 -0.0726 Cl 0 0 0
- 1.9446 3.0164 0.0000 H 0 0 0
- -0.6691 2.5146 0.0000 H 0 0 0
- 4.1619 2.0087 0.0000 H 0 0 0
- -2.9147 1.8815 0.0000 H 0 0 0
- -4.1951 -1.0517 0.0000 H 0 0 0
- -2.8369 -0.8010 0.0000 H 0 0 0
- -4.5049 1.3616 0.0000 H 0 0 0
- -5.8631 1.1109 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 2 0
- 8 11 2 0
- 8 12 1 0
- 9 13 1 0
- 13 14 1 0
- 14 15 1 0
- 5 6 2 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 9 19 1 0
- 13 20 1 0
- 13 21 1 0
- 14 22 1 0
- 14 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-33237-74-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 57 1 V2000
- -0.1862 -0.5410 -1.2614 C 0 0 0
- -1.1922 0.5240 -1.2483 N 0 0 0
- -0.1812 -1.2607 0.1040 C 0 0 0
- -0.6350 -1.6606 -2.2243 C 0 0 0
- -0.8238 1.8364 -1.5532 C 0 0 0
- -2.5844 0.2125 -0.9155 C 0 0 0
- 0.0504 -2.7213 -0.2189 C 0 0 0
- -0.2101 -2.9510 -1.5567 C 0 0 0
- -1.7605 2.8588 -1.4728 C 0 0 0
- 0.4818 2.1229 -1.9320 C 0 0 0
- -2.8631 0.6099 0.5355 C 0 0 0
- 0.4571 -3.7666 0.5936 C 0 0 0
- -0.0636 -4.2255 -2.0786 C 0 0 0
- -1.3927 4.1555 -1.7745 C 0 0 0
- 0.8427 3.4214 -2.2323 C 0 0 0
- -4.3171 0.2846 0.8831 C 0 0 0
- 0.6030 -5.0367 0.0712 C 0 0 0
- 0.3416 -5.2666 -1.2668 C 0 0 0
- -0.0938 4.4363 -2.1562 C 0 0 0
- -4.5846 0.6662 2.2763 N 0 0 0
- -5.6209 1.7067 2.2374 C 0 0 0
- -5.1869 -0.5053 2.9266 C 0 0 0
- -5.1085 2.9633 2.9440 C 0 0 0
- -4.2710 -0.9910 4.0518 C 0 0 0
- 13.3011 0.9925 1.7267 Cl 0 0 0
- 0.7414 -0.1684 0.0000 H 0 0 0
- -1.0740 -0.8111 0.0000 H 0 0 0
- -0.9885 -1.8502 0.0000 H 0 0 0
- -1.4174 -1.0385 0.0000 H 0 0 0
- -1.4551 -2.2321 0.0000 H 0 0 0
- -3.4705 -0.2501 0.0000 H 0 0 0
- -2.2411 -0.7263 0.0000 H 0 0 0
- -2.7332 2.6283 0.0000 H 0 0 0
- 1.1689 1.3969 0.0000 H 0 0 0
- -1.9770 1.0725 0.0000 H 0 0 0
- -3.2064 1.5487 0.0000 H 0 0 0
- 1.4274 -3.5264 0.0000 H 0 0 0
- -1.0339 -4.4658 0.0000 H 0 0 0
- -2.0767 4.8844 0.0000 H 0 0 0
- 1.8143 3.6562 0.0000 H 0 0 0
- -5.2033 -0.1778 0.0000 H 0 0 0
- -3.9738 -0.6542 0.0000 H 0 0 0
- 1.5358 -5.3959 0.0000 H 0 0 0
- 0.1048 -6.2377 0.0000 H 0 0 0
- 0.2076 5.3894 0.0000 H 0 0 0
- -6.4881 2.2039 0.0000 H 0 0 0
- -6.2290 0.9134 0.0000 H 0 0 0
- -6.0739 -0.0445 0.0000 H 0 0 0
- -5.6515 -1.3904 0.0000 H 0 0 0
- -4.1829 2.5859 0.0000 H 0 0 0
- -4.7311 3.8889 0.0000 H 0 0 0
- -6.0341 3.3407 0.0000 H 0 0 0
- -4.7393 -1.8741 0.0000 H 0 0 0
- -3.3879 -1.4593 0.0000 H 0 0 0
- -3.8027 -0.1079 0.0000 H 0 0 0
- 14.3007 0.9925 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 10 15 2 0
- 11 16 1 0
- 12 17 2 0
- 13 18 2 0
- 14 19 2 0
- 16 20 1 0
- 20 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 7 8 2 0
- 15 19 1 0
- 17 18 1 0
- 1 26 1 0
- 3 27 1 0
- 3 28 1 0
- 4 29 1 0
- 4 30 1 0
- 6 31 1 0
- 6 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 13 38 1 0
- 14 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 17 43 1 0
- 18 44 1 0
- 19 45 1 0
- 21 46 1 0
- 21 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
- 23 52 1 0
- 24 53 1 0
- 24 54 1 0
- 24 55 1 0
- 25 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3387-36-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 35 1 V2000
- -3.7501 0.9224 -0.1903 C 0 0 2
- -4.6718 0.0003 0.4777 N 0 0 0
- -2.5633 0.2067 -0.5965 O 0 0 0
- -3.2490 1.9743 0.8240 C 0 0 1
- -5.9155 -0.1669 -0.0076 C 0 0 0
- -4.2579 -0.6872 1.5860 C 0 0 0
- -1.5398 1.2159 -0.7372 C 0 0 1
- -1.7614 2.1718 0.4559 C 0 0 1
- -3.9554 3.2007 0.6266 O 0 0 0
- -6.7827 -1.0076 0.5864 N 0 0 0
- -6.2611 0.4506 -0.9963 O 0 0 0
- -5.1075 -1.5371 2.2017 C 0 0 0
- -0.1608 0.5637 -0.6188 C 0 0 0
- -1.5507 3.5200 0.0317 O 0 0 0
- -6.4152 -1.6994 1.6839 C 0 0 0
- 0.0085 -0.3868 -1.6723 O 0 0 0
- -7.1991 -2.4603 2.2219 O 0 0 0
- 1.4725 -1.0307 -1.4872 P 0 0 0
- 1.7107 -2.0290 -2.5535 O 0 0 0
- 2.5848 0.1296 -1.5802 O 0 0 0
- 1.5650 -1.7489 -0.0493 O 0 0 0
- 12.0848 -0.2358 0.1768 Na 0 3 0
- 20.6099 0.1832 1.6422 Na 0 3 0
- -4.5045 1.4551 0.0000 H 0 0 0
- -4.1718 1.9383 0.0000 H 0 0 0
- -3.3412 -0.7993 0.0000 H 0 0 0
- -0.8208 1.7955 0.0000 H 0 0 0
- -0.8385 2.2054 0.0000 H 0 0 0
- -4.4163 4.0010 0.0000 H 0 0 0
- -7.6950 -0.8638 0.0000 H 0 0 0
- -4.7020 -2.3668 0.0000 H 0 0 0
- 0.7623 0.5362 0.0000 H 0 0 0
- 0.0549 1.4617 0.0000 H 0 0 0
- -1.4081 4.4324 0.0000 H 0 0 0
- 3.2239 0.7963 0.0000 H 0 0 0
- 1.6830 -2.6648 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 13 16 1 0
- 15 17 2 0
- 16 18 1 0
- 18 19 2 0
- 18 20 1 0
- 18 21 1 0
- 7 8 1 0
- 12 15 1 0
- 1 24 1 0
- 4 25 1 0
- 6 26 1 0
- 7 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 20 35 1 0
- 21 36 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3414-62-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 33 35 1 V2000
- -0.0155 -0.2988 -0.0345 N 0 0 0
- -1.2222 0.2790 -0.3386 C 0 0 0
- 1.3078 0.2195 -0.3898 C 0 0 2
- -0.2738 -1.4405 0.6641 C 0 0 0
- -2.2043 -0.5677 0.2020 C 0 0 0
- -1.6004 1.3783 -0.9830 N 0 0 0
- 2.2373 -0.8789 -0.5150 O 0 0 0
- 1.8575 1.0707 0.7763 C 0 0 1
- -1.5584 -1.5947 0.8046 N 0 0 0
- -3.5533 -0.2105 0.0348 C 0 0 0
- -2.8764 1.6731 -1.1150 C 0 0 0
- 3.5448 -0.2938 -0.3305 C 0 0 1
- 3.3630 0.7253 0.8161 C 0 0 1
- 1.6949 2.4574 0.4716 O 0 0 0
- -3.8350 0.9081 -0.6249 N 0 0 0
- -4.5647 -1.0050 0.5457 N 0 0 0
- 4.5324 -1.3788 0.1033 C 0 0 0
- 4.1286 1.8990 0.5361 O 0 0 0
- -5.9183 -0.6295 0.3677 O 0 0 0
- 4.6324 -2.3693 -0.9219 O 0 0 0
- 0.6892 0.9762 0.0000 H 0 0 0
- 0.3808 -2.1663 0.0000 H 0 0 0
- 0.9055 1.2919 0.0000 H 0 0 0
- -3.0928 2.6262 0.0000 H 0 0 0
- 4.4217 0.1379 0.0000 H 0 0 0
- 4.3207 0.5304 0.0000 H 0 0 0
- 1.5811 3.4281 0.0000 H 0 0 0
- -4.3728 -1.9633 0.0000 H 0 0 0
- 5.4882 -1.5829 0.0000 H 0 0 0
- 5.0192 -0.5313 0.0000 H 0 0 0
- 4.6626 2.7176 0.0000 H 0 0 0
- -6.8601 -0.3682 0.0000 H 0 0 0
- 4.7306 -3.3417 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 2 0
- 10 16 1 0
- 12 17 1 0
- 13 18 1 0
- 16 19 1 0
- 17 20 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 21 1 0
- 4 22 1 0
- 8 23 1 0
- 11 24 1 0
- 12 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
- 19 32 1 0
- 20 33 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-343-94-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -2.6361 0.2073 -0.1815 C 0 0 0
- -3.6260 0.5533 0.7562 C 0 0 0
- -1.4920 -0.2737 0.5967 C 0 0 0
- -2.8827 0.3686 -1.5463 C 0 0 0
- -3.1089 0.2967 2.0062 N 0 0 0
- -4.8458 1.0499 0.3077 C 0 0 0
- -1.8373 -0.1953 1.8915 C 0 0 0
- -0.1771 -0.7641 0.0476 C 0 0 0
- -4.0860 0.8624 -1.9645 C 0 0 0
- -5.0695 1.1968 -1.0435 C 0 0 0
- -0.2570 -2.2725 -0.1963 C 0 0 0
- 1.0248 -2.7505 -0.7314 N 0 0 0
- 9.9402 0.7216 -0.0525 Cl 0 0 0
- -2.4493 1.1924 0.0000 H 0 0 0
- -3.4841 -0.5551 0.0000 H 0 0 0
- -5.2788 0.2259 0.0000 H 0 0 0
- -2.1090 -1.0856 0.0000 H 0 0 0
- 0.7427 -0.9071 0.0000 H 0 0 0
- 0.0583 0.1365 0.0000 H 0 0 0
- -3.7593 1.7340 0.0000 H 0 0 0
- -5.9059 1.6054 0.0000 H 0 0 0
- -1.1768 -2.1295 0.0000 H 0 0 0
- -0.4923 -3.1731 0.0000 H 0 0 0
- 1.1792 -3.6684 0.0000 H 0 0 0
- 1.7425 -2.1578 0.0000 H 0 0 0
- 10.8710 0.7216 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 6 10 2 0
- 8 11 1 0
- 11 12 1 0
- 5 7 1 0
- 9 10 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 9 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 13 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-34381-68-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 53 1 V2000
- -1.9575 -0.5124 -0.4685 C 0 0 0
- -3.0853 0.2374 -0.8391 C 0 0 0
- -0.8116 0.1359 -0.0326 C 0 0 0
- -1.9906 -1.8671 -0.5312 O 0 0 0
- -3.0422 1.6347 -0.7650 C 0 0 0
- -4.3025 -0.4399 -1.3022 C 0 0 0
- -0.7779 1.5136 0.0374 C 0 0 0
- -0.7113 -2.3321 -0.0962 C 0 0 0
- -1.8913 2.2646 -0.3281 C 0 0 0
- -5.5105 0.3690 -1.6989 C 0 0 0
- -4.3360 -1.6508 -1.3654 O 0 0 0
- -0.6813 -3.8611 -0.1432 C 0 0 0
- -1.8457 3.6632 -0.2536 N 0 0 0
- 0.6884 -4.3589 0.3225 C 0 0 0
- -1.6958 -4.3840 0.7167 O 0 0 0
- -2.7755 4.3308 0.4579 C 0 0 0
- 0.7172 -5.8269 0.2774 N 0 0 0
- -2.8039 5.8373 0.4346 C 0 0 0
- -3.5894 3.7190 1.1171 O 0 0 0
- 2.0517 -6.2372 0.7340 C 0 0 0
- -3.9469 6.3396 1.3189 C 0 0 0
- 2.0343 -6.4309 2.2516 C 0 0 0
- 2.4404 -7.5528 0.0564 C 0 0 0
- -3.9758 7.8692 1.2952 C 0 0 0
- 15.5316 3.1473 -0.3994 Cl 0 0 0
- 0.0673 -0.3912 0.0000 H 0 0 0
- -3.9157 2.1708 0.0000 H 0 0 0
- 0.1328 1.9836 0.0000 H 0 0 0
- 0.3081 -2.4376 0.0000 H 0 0 0
- -0.4818 -1.3333 0.0000 H 0 0 0
- -4.9403 1.2206 0.0000 H 0 0 0
- -6.3621 0.9392 0.0000 H 0 0 0
- -6.0807 -0.4826 0.0000 H 0 0 0
- -0.6161 -4.8839 0.0000 H 0 0 0
- -0.9263 4.1161 0.0000 H 0 0 0
- 1.7078 -4.4644 0.0000 H 0 0 0
- 0.9179 -3.3601 0.0000 H 0 0 0
- -2.6068 -4.8535 0.0000 H 0 0 0
- -0.1011 -6.4439 0.0000 H 0 0 0
- -1.7871 5.7091 0.0000 H 0 0 0
- -2.5308 6.8251 0.0000 H 0 0 0
- 2.7804 -5.5165 0.0000 H 0 0 0
- -4.9637 6.4678 0.0000 H 0 0 0
- -4.2200 5.3518 0.0000 H 0 0 0
- 1.0135 -6.3392 0.0000 H 0 0 0
- 1.9426 -7.4517 0.0000 H 0 0 0
- 3.0551 -6.5226 0.0000 H 0 0 0
- 1.4575 -7.8432 0.0000 H 0 0 0
- 2.7308 -8.5357 0.0000 H 0 0 0
- 3.4233 -7.2624 0.0000 H 0 0 0
- -2.9511 7.8886 0.0000 H 0 0 0
- -3.9952 8.8939 0.0000 H 0 0 0
- -5.0005 7.8498 0.0000 H 0 0 0
- 16.5565 3.1473 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 8 12 1 0
- 9 13 1 0
- 12 14 1 0
- 12 15 1 0
- 13 16 1 0
- 14 17 1 0
- 16 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 7 9 1 0
- 3 26 1 0
- 5 27 1 0
- 7 28 1 0
- 8 29 1 0
- 8 30 1 0
- 10 31 1 0
- 10 32 1 0
- 10 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 14 37 1 0
- 15 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 20 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 23 50 1 0
- 24 51 1 0
- 24 52 1 0
- 24 53 1 0
- 25 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-352-11-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 15 15 1 V2000
- -1.9417 0.0044 -0.9563 C 0 0 0
- -2.9531 -0.0023 0.5363 Cl 0 0 0
- -0.4837 0.0026 -0.5751 C 0 0 0
- 0.1843 -1.1956 -0.4058 C 0 0 0
- 0.1861 1.1995 -0.4005 C 0 0 0
- 1.5216 -1.1985 -0.0563 C 0 0 0
- 1.5230 1.1990 -0.0510 C 0 0 0
- 2.1918 -0.0008 0.1244 C 0 0 0
- 3.4989 -0.0024 0.4661 F 0 0 0
- -1.4286 0.8960 0.0000 H 0 0 0
- -2.4596 0.8932 0.0000 H 0 0 0
- -0.3377 -2.0820 0.0000 H 0 0 0
- -0.3340 2.0870 0.0000 H 0 0 0
- 2.0409 -2.0864 0.0000 H 0 0 0
- 2.0442 2.0859 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 3 2 0
- 5 3 1 0
- 6 4 1 0
- 7 5 2 0
- 8 6 2 0
- 9 8 1 0
- 7 8 1 0
- 1 10 1 0
- 1 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3546-10-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-103107 1 V2000
- 4.2136 0.2279 1.2277 C 0 0 2
- 3.2979 -0.0932 0.0385 C 0 0 1
- 5.3840 -0.7376 1.1789 C 0 0 1
- 3.4177 0.0019 2.5181 C 0 0 0
- 2.1119 0.8565 0.0087 C 0 0 2
- 4.0462 -0.0264 -1.2896 C 0 0 0
- 6.1694 -0.4372 -0.1258 C 0 0 2
- 6.4635 -0.5256 2.2460 C 0 0 0
- 2.1687 0.8332 2.4811 C 0 0 0
- 1.5958 1.2036 1.3735 C 0 0 0
- 0.9791 0.2531 -0.8266 C 0 0 0
- 2.5532 2.1504 -0.6782 C 0 0 0
- 5.3047 -0.9082 -1.2796 C 0 0 0
- 7.4853 -1.1811 0.0792 C 0 0 2
- 6.4323 1.0655 -0.2428 C 0 0 0
- 7.7145 -1.1926 1.6112 C 0 0 0
- 0.3279 2.0360 1.4637 C 0 0 0
- -0.2141 1.2107 -0.8320 C 0 0 0
- 8.6268 -0.4423 -0.6222 C 0 0 1
- -0.7461 1.3778 0.5925 C 0 0 2
- 9.9597 -1.0989 -0.2570 C 0 0 0
- 8.4233 -0.5097 -2.1371 C 0 0 0
- -1.9323 2.2149 0.5712 O 0 0 0
- 11.1012 -0.3600 -0.9583 C 0 0 0
- -3.1446 1.6575 0.4248 C 0 0 0
- 12.4341 -1.0166 -0.5931 C 0 0 0
- -4.3757 2.5263 0.4027 C 0 0 0
- -3.2487 0.4592 0.3108 O 0 0 0
- 13.5756 -0.2777 -1.2945 C 0 0 0
- -5.5976 1.6617 0.2284 C 0 0 0
- 13.5879 1.1850 -0.8461 C 0 0 0
- 14.9084 -0.9343 -0.9293 C 0 0 0
- -6.2525 1.1609 1.3389 C 0 0 0
- -6.0648 1.3755 -1.0410 C 0 0 0
- -7.3724 0.3683 1.1829 C 0 0 0
- -7.1844 0.5833 -1.2043 C 0 0 0
- -7.8412 0.0741 -0.0914 C 0 0 0
- -8.9734 -0.7277 -0.2529 N 0 0 0
- -8.8248 -2.1472 -0.5832 C 0 0 0
- -10.3097 -0.1491 -0.0919 C 0 0 0
- -8.2622 -2.8961 0.6266 C 0 0 0
- -10.7129 0.5696 -1.3811 C 0 0 0
- -8.0792 -4.6431 0.2200 Cl 0 0 0
- -12.3575 1.2816 -1.1830 Cl 0 0 0
- 4.4233 1.2287 0.0000 H 0 0 0
- 3.0025 -1.0722 0.0000 H 0 0 0
- 5.1331 -1.7289 0.0000 H 0 0 0
- 2.6680 -0.6936 0.0000 H 0 0 0
- 3.9189 -0.8894 0.0000 H 0 0 0
- 4.8481 0.6081 0.0000 H 0 0 0
- 3.6676 0.9235 0.0000 H 0 0 0
- 7.1867 0.1974 0.0000 H 0 0 0
- 5.9826 0.3768 0.0000 H 0 0 0
- 2.7296 1.6882 0.0000 H 0 0 0
- 0.2375 -0.4510 0.0000 H 0 0 0
- 1.5770 -0.5765 0.0000 H 0 0 0
- 3.5210 1.8203 0.0000 H 0 0 0
- 2.8833 3.1182 0.0000 H 0 0 0
- 1.5854 2.4805 0.0000 H 0 0 0
- 4.5967 -1.6460 0.0000 H 0 0 0
- 5.9255 -1.7208 0.0000 H 0 0 0
- 7.2004 -2.1632 0.0000 H 0 0 0
- 7.4396 0.8893 0.0000 H 0 0 0
- 6.6085 2.0728 0.0000 H 0 0 0
- 5.4250 1.2417 0.0000 H 0 0 0
- 8.0429 -2.1610 0.0000 H 0 0 0
- 8.4940 -0.5308 0.0000 H 0 0 0
- 1.0080 2.7996 0.0000 H 0 0 0
- -0.3281 2.8204 0.0000 H 0 0 0
- 0.6858 1.6964 0.0000 H 0 0 0
- -0.3114 2.2286 0.0000 H 0 0 0
- 8.6972 0.5778 0.0000 H 0 0 0
- -1.1996 0.4613 0.0000 H 0 0 0
- 9.3513 -1.9208 0.0000 H 0 0 0
- 10.6597 -1.8443 0.0000 H 0 0 0
- 8.1018 0.4610 0.0000 H 0 0 0
- 7.4526 -0.8312 0.0000 H 0 0 0
- 8.7448 -1.4804 0.0000 H 0 0 0
- 11.7096 0.4619 0.0000 H 0 0 0
- 10.4012 0.3854 0.0000 H 0 0 0
- 11.8257 -1.8385 0.0000 H 0 0 0
- 13.1341 -1.7620 0.0000 H 0 0 0
- -3.6953 3.2896 0.0000 H 0 0 0
- -5.0571 3.2888 0.0000 H 0 0 0
- 12.6794 0.2147 0.0000 H 0 0 0
- 14.6104 1.1764 0.0000 H 0 0 0
- 13.5965 2.2075 0.0000 H 0 0 0
- 12.5654 1.1936 0.0000 H 0 0 0
- 14.4565 -1.8516 0.0000 H 0 0 0
- 15.8257 -1.3862 0.0000 H 0 0 0
- 15.3603 -0.0170 0.0000 H 0 0 0
- -5.6464 0.3373 0.0000 H 0 0 0
- -6.6275 2.2293 0.0000 H 0 0 0
- -6.8050 -0.4824 0.0000 H 0 0 0
- -7.7931 1.4049 0.0000 H 0 0 0
- -9.8182 -1.9048 0.0000 H 0 0 0
- -9.3877 -3.0009 0.0000 H 0 0 0
- -11.3109 -0.3569 0.0000 H 0 0 0
- -10.4138 -1.1664 0.0000 H 0 0 0
- -7.2688 -3.1384 0.0000 H 0 0 0
- -7.6993 -2.0424 0.0000 H 0 0 0
- -9.7117 0.7774 0.0000 H 0 0 0
- -10.6088 1.5869 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 19 21 1 0
- 19 22 1 0
- 20 23 1 0
- 21 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 25 28 2 0
- 26 29 1 0
- 27 30 1 0
- 29 31 1 0
- 29 32 1 0
- 30 33 1 0
- 30 34 2 0
- 33 35 2 0
- 34 36 1 0
- 35 37 1 0
- 37 38 1 0
- 38 39 1 0
- 38 40 1 0
- 39 41 1 0
- 40 42 1 0
- 41 43 1 0
- 42 44 1 0
- 7 13 1 0
- 9 10 2 0
- 14 16 1 0
- 18 20 1 0
- 36 37 2 0
- 1 45 1 0
- 2 46 1 0
- 3 47 1 0
- 4 48 1 0
- 4 49 1 0
- 6 50 1 0
- 6 51 1 0
- 8 52 1 0
- 8 53 1 0
- 9 54 1 0
- 11 55 1 0
- 11 56 1 0
- 12 57 1 0
- 12 58 1 0
- 12 59 1 0
- 13 60 1 0
- 13 61 1 0
- 14 62 1 0
- 15 63 1 0
- 15 64 1 0
- 15 65 1 0
- 16 66 1 0
- 16 67 1 0
- 17 68 1 0
- 17 69 1 0
- 18 70 1 0
- 18 71 1 0
- 19 72 1 0
- 20 73 1 0
- 21 74 1 0
- 21 75 1 0
- 22 76 1 0
- 22 77 1 0
- 22 78 1 0
- 24 79 1 0
- 24 80 1 0
- 26 81 1 0
- 26 82 1 0
- 27 83 1 0
- 27 84 1 0
- 29 85 1 0
- 31 86 1 0
- 31 87 1 0
- 31 88 1 0
- 32 89 1 0
- 32 90 1 0
- 32 91 1 0
- 33 92 1 0
- 34 93 1 0
- 35 94 1 0
- 36 95 1 0
- 39 96 1 0
- 39 97 1 0
- 40 98 1 0
- 40 99 1 0
- 41100 1 0
- 41101 1 0
- 42102 1 0
- 42103 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3546-41-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-159168 1 V2000
- -23.5233 -0.3785 -0.8799 C 0 0 0
- -23.4056 1.0174 -0.7662 C 0 0 0
- -22.5508 -1.2768 -0.1601 C 0 0 0
- -24.5192 -0.9207 -1.6356 C 0 0 0
- -24.3233 1.8615 -1.4450 C 0 0 0
- -22.3886 1.5950 0.0132 C 0 0 0
- -23.3045 -2.1826 0.7794 C 0 0 0
- -25.4443 -0.0899 -2.3133 C 0 0 0
- -24.6252 -2.2690 -1.7401 O 0 0 0
- -25.3402 1.2958 -2.2236 C 0 0 0
- -24.1955 3.2584 -1.3231 C 0 0 0
- -22.2967 2.9499 0.1072 C 0 0 0
- -23.2018 -3.5775 0.6427 C 0 0 0
- -24.0802 -1.6480 1.7640 C 0 0 0
- -26.5063 -0.6894 -3.1196 C 0 0 0
- -23.1976 3.7793 -0.5591 C 0 0 0
- -23.9125 -4.4286 1.5293 C 0 0 0
- -22.4030 -4.1475 -0.3635 C 0 0 0
- -24.7940 -2.4858 2.6549 C 0 0 0
- -24.1690 -0.3005 1.8923 O 0 0 0
- -26.4014 -0.7129 -4.4540 O 0 0 0
- -27.5838 -1.2148 -2.5235 O 0 0 0
- -24.7107 -3.8706 2.5353 C 0 0 0
- -23.8021 -5.8246 1.3821 C 0 0 0
- -22.3210 -5.5017 -0.4748 C 0 0 0
- -25.6213 -1.8944 3.7052 C 0 0 0
- -23.0187 -6.3380 0.3956 C 0 0 0
- -25.0492 -1.4063 4.8127 O 0 0 0
- -26.9511 -1.8410 3.5595 O 0 0 0
- -4.5300 3.6429 -0.1473 N 0 0 0
- -5.6274 4.3684 0.3354 C 0 0 0
- -3.3889 3.4092 0.5464 C 0 0 0
- -4.4580 3.0636 -1.3835 C 0 0 0
- -5.7001 5.7393 0.1288 C 0 0 0
- -6.6472 3.7167 1.0163 C 0 0 0
- -2.5457 2.6638 -0.2559 C 0 0 0
- -3.0918 3.8801 1.9468 C 0 0 0
- -3.2697 2.4504 -1.5156 C 0 0 0
- -5.5401 3.1055 -2.4315 C 0 0 0
- -6.7834 6.4517 0.6054 C 0 0 0
- -7.7276 4.4343 1.4904 C 0 0 0
- -1.2035 2.1812 0.0831 C 0 0 0
- -7.7946 5.8008 1.2876 C 0 0 0
- -0.4960 1.4564 -0.8183 C 0 0 0
- 0.7964 0.9917 -0.4919 C 0 0 0
- 1.4994 0.2641 -1.4046 N 0 3 0
- 1.3418 1.2900 0.7654 C 0 0 0
- 2.7605 -0.1967 -1.1028 C 0 0 0
- 0.9097 -0.0295 -2.7131 C 0 0 0
- 2.5866 0.8498 1.0964 C 0 0 0
- 3.3247 0.0875 0.1581 C 0 0 0
- 3.4854 -0.9415 -2.0301 C 0 0 0
- 4.6086 -0.3819 0.4668 C 0 0 0
- 4.7447 -1.3958 -1.7144 C 0 0 0
- 5.3088 -1.1186 -0.4674 C 0 0 0
- 6.5898 -1.5885 -0.1640 N 0 0 0
- 7.3363 -2.3707 -1.1525 C 0 0 0
- 7.1859 -1.2988 1.1425 C 0 0 0
- 22.1323 1.5408 0.2497 N 0 0 0
- 21.0349 2.2664 0.7324 C 0 0 0
- 23.2734 1.3072 0.9435 C 0 0 0
- 22.2043 0.9616 -0.9864 C 0 0 0
- 20.9622 3.6373 0.5258 C 0 0 0
- 20.0151 1.6147 1.4134 C 0 0 0
- 24.1166 0.5618 0.1411 C 0 0 0
- 23.5706 1.7781 2.3438 C 0 0 0
- 23.3927 0.3484 -1.1185 C 0 0 0
- 21.1222 1.0034 -2.0345 C 0 0 0
- 19.8790 4.3497 1.0025 C 0 0 0
- 18.9348 2.3323 1.8874 C 0 0 0
- 25.4588 0.0792 0.4801 C 0 0 0
- 18.8677 3.6988 1.6846 C 0 0 0
- 26.1663 -0.6456 -0.4213 C 0 0 0
- 27.4587 -1.1103 -0.0949 C 0 0 0
- 28.1617 -1.8379 -1.0075 N 0 3 0
- 28.0041 -0.8120 1.1625 C 0 0 0
- 29.4228 -2.2987 -0.7057 C 0 0 0
- 27.5720 -2.1315 -2.3161 C 0 0 0
- 29.2489 -1.2522 1.4934 C 0 0 0
- 29.9871 -2.0145 0.5551 C 0 0 0
- 30.1477 -3.0435 -1.6331 C 0 0 0
- 31.2709 -2.4839 0.8638 C 0 0 0
- 31.4070 -3.4978 -1.3173 C 0 0 0
- 31.9711 -3.2206 -0.0704 C 0 0 0
- 33.2521 -3.6905 0.2330 N 0 0 0
- 33.9986 -4.4727 -0.7555 C 0 0 0
- 33.8482 -3.4008 1.5396 C 0 0 0
- -21.8838 -1.8516 0.0000 H 0 0 0
- -21.9646 -0.6198 0.0000 H 0 0 0
- -21.6431 1.1266 0.0000 H 0 0 0
- -24.6942 -3.1468 0.0000 H 0 0 0
- -26.0819 1.7702 0.0000 H 0 0 0
- -24.9269 3.7486 0.0000 H 0 0 0
- -21.4789 3.2761 0.0000 H 0 0 0
- -23.0821 4.6522 0.0000 H 0 0 0
- -21.6327 -3.7209 0.0000 H 0 0 0
- -24.2269 0.5781 0.0000 H 0 0 0
- -25.4790 -4.3007 0.0000 H 0 0 0
- -24.5596 -6.2733 0.0000 H 0 0 0
- -21.4845 -5.7765 0.0000 H 0 0 0
- -22.8891 -7.2089 0.0000 H 0 0 0
- -4.9365 6.1776 0.0000 H 0 0 0
- -6.6550 2.8363 0.0000 H 0 0 0
- -2.3471 3.4103 0.0000 H 0 0 0
- -2.6220 4.6248 0.0000 H 0 0 0
- -3.8365 4.3499 0.0000 H 0 0 0
- -3.3531 1.5739 0.0000 H 0 0 0
- -5.5060 3.9853 0.0000 H 0 0 0
- -6.4199 3.1396 0.0000 H 0 0 0
- -5.5742 2.2257 0.0000 H 0 0 0
- -6.7791 7.3322 0.0000 H 0 0 0
- -8.4931 3.9993 0.0000 H 0 0 0
- -0.7274 2.9218 0.0000 H 0 0 0
- -8.5776 6.2034 0.0000 H 0 0 0
- -0.9721 0.7158 0.0000 H 0 0 0
- 1.2712 2.1676 0.0000 H 0 0 0
- 0.5173 0.7587 0.0000 H 0 0 0
- 0.1215 -0.4219 0.0000 H 0 0 0
- 1.3021 -0.8177 0.0000 H 0 0 0
- 3.0623 1.5907 0.0000 H 0 0 0
- 3.0084 -1.6815 0.0000 H 0 0 0
- 5.0916 0.3543 0.0000 H 0 0 0
- 4.7933 -2.2749 0.0000 H 0 0 0
- 6.6993 -2.9786 0.0000 H 0 0 0
- 7.9442 -3.0077 0.0000 H 0 0 0
- 7.9733 -1.7628 0.0000 H 0 0 0
- 7.5708 -2.0907 0.0000 H 0 0 0
- 7.9778 -0.9139 0.0000 H 0 0 0
- 6.8010 -0.5069 0.0000 H 0 0 0
- 21.7259 4.0756 0.0000 H 0 0 0
- 20.0073 0.7343 0.0000 H 0 0 0
- 24.3152 1.3082 0.0000 H 0 0 0
- 24.0405 2.5227 0.0000 H 0 0 0
- 22.8260 2.2480 0.0000 H 0 0 0
- 23.3093 -0.5281 0.0000 H 0 0 0
- 21.1562 1.8832 0.0000 H 0 0 0
- 20.2424 1.0374 0.0000 H 0 0 0
- 21.0882 0.1236 0.0000 H 0 0 0
- 19.8833 5.2302 0.0000 H 0 0 0
- 18.1693 1.8973 0.0000 H 0 0 0
- 25.9349 0.8198 0.0000 H 0 0 0
- 18.0847 4.1014 0.0000 H 0 0 0
- 25.6902 -1.3862 0.0000 H 0 0 0
- 27.9335 0.0656 0.0000 H 0 0 0
- 27.1796 -1.3433 0.0000 H 0 0 0
- 26.7838 -2.5239 0.0000 H 0 0 0
- 27.9644 -2.9197 0.0000 H 0 0 0
- 29.7245 -0.5112 0.0000 H 0 0 0
- 29.6707 -3.7835 0.0000 H 0 0 0
- 31.7539 -1.7477 0.0000 H 0 0 0
- 31.4556 -4.3769 0.0000 H 0 0 0
- 33.3616 -5.0806 0.0000 H 0 0 0
- 34.6065 -5.1097 0.0000 H 0 0 0
- 34.6356 -3.8648 0.0000 H 0 0 0
- 34.2331 -4.1927 0.0000 H 0 0 0
- 34.6401 -3.0159 0.0000 H 0 0 0
- 33.4633 -2.6089 0.0000 H 0 0 0
- -28.3752 -1.6007 0.0000 H 0 0 0
- -27.8309 -1.8057 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 7 14 2 0
- 8 15 1 0
- 11 16 2 0
- 13 17 2 0
- 13 18 1 0
- 14 19 1 0
- 14 20 1 0
- 15 21 2 0
- 15 22 1 0
- 17 23 1 0
- 17 24 1 0
- 18 25 2 0
- 19 26 1 0
- 24 27 2 0
- 26 28 2 0
- 26 29 1 0
- 30 31 1 0
- 30 32 1 0
- 30 33 1 0
- 31 34 2 0
- 31 35 1 0
- 32 36 2 0
- 32 37 1 0
- 33 38 2 0
- 33 39 1 0
- 34 40 1 0
- 35 41 2 0
- 36 42 1 0
- 40 43 2 0
- 42 44 2 0
- 44 45 1 0
- 45 46 1 0
- 45 47 2 0
- 46 48 2 0
- 46 49 1 0
- 47 50 1 0
- 48 51 1 0
- 48 52 1 0
- 51 53 1 0
- 52 54 2 0
- 53 55 2 0
- 55 56 1 0
- 56 57 1 0
- 56 58 1 0
- 59 60 1 0
- 59 61 1 0
- 59 62 1 0
- 60 63 2 0
- 60 64 1 0
- 61 65 2 0
- 61 66 1 0
- 62 67 2 0
- 62 68 1 0
- 63 69 1 0
- 64 70 2 0
- 65 71 1 0
- 69 72 2 0
- 71 73 2 0
- 73 74 1 0
- 74 75 1 0
- 74 76 2 0
- 75 77 2 0
- 75 78 1 0
- 76 79 1 0
- 77 80 1 0
- 77 81 1 0
- 80 82 1 0
- 81 83 2 0
- 82 84 2 0
- 84 85 1 0
- 85 86 1 0
- 85 87 1 0
- 8 10 2 0
- 12 16 1 0
- 19 23 2 0
- 25 27 1 0
- 36 38 1 0
- 41 43 1 0
- 50 51 2 0
- 54 55 1 0
- 65 67 1 0
- 70 72 1 0
- 79 80 2 0
- 83 84 1 0
- 3 88 1 0
- 3 89 1 0
- 6 90 1 0
- 9 91 1 0
- 10 92 1 0
- 11 93 1 0
- 12 94 1 0
- 16 95 1 0
- 18 96 1 0
- 20 97 1 0
- 23 98 1 0
- 24 99 1 0
- 25100 1 0
- 27101 1 0
- 34102 1 0
- 35103 1 0
- 37104 1 0
- 37105 1 0
- 37106 1 0
- 38107 1 0
- 39108 1 0
- 39109 1 0
- 39110 1 0
- 40111 1 0
- 41112 1 0
- 42113 1 0
- 43114 1 0
- 44115 1 0
- 47116 1 0
- 49117 1 0
- 49118 1 0
- 49119 1 0
- 50120 1 0
- 52121 1 0
- 53122 1 0
- 54123 1 0
- 57124 1 0
- 57125 1 0
- 57126 1 0
- 58127 1 0
- 58128 1 0
- 58129 1 0
- 63130 1 0
- 64131 1 0
- 66132 1 0
- 66133 1 0
- 66134 1 0
- 67135 1 0
- 68136 1 0
- 68137 1 0
- 68138 1 0
- 69139 1 0
- 70140 1 0
- 71141 1 0
- 72142 1 0
- 73143 1 0
- 76144 1 0
- 78145 1 0
- 78146 1 0
- 78147 1 0
- 79148 1 0
- 81149 1 0
- 82150 1 0
- 83151 1 0
- 86152 1 0
- 86153 1 0
- 86154 1 0
- 87155 1 0
- 87156 1 0
- 87157 1 0
- 22158 1 0
- 29159 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-362-74-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 59 1 V2000
- -0.7723 0.5023 -1.2735 C 0 0 2
- -1.5746 -0.2188 -0.1580 C 0 0 1
- 0.5689 0.8246 -0.7799 N 0 0 0
- -1.4823 1.7300 -1.5816 O 0 0 0
- -2.7240 0.7507 0.1194 C 0 0 1
- -2.1079 -1.4664 -0.6749 O 0 0 0
- 1.6813 0.0267 -0.8720 C 0 0 0
- 0.9417 1.9744 -0.1501 C 0 0 0
- -2.8415 1.4641 -1.2570 C 0 0 1
- -3.9886 0.2009 0.4031 O 0 0 0
- -2.2930 -2.5097 0.1492 C 0 0 0
- 2.7260 0.7474 -0.2663 C 0 0 0
- 1.9339 -1.1766 -1.3742 N 0 0 0
- 2.2067 1.9265 0.1520 N 0 0 0
- -3.7591 2.6506 -1.0417 C 0 0 0
- -4.9266 1.4517 0.7971 P 0 0 0
- -2.8466 -3.8047 -0.3873 C 0 0 0
- -2.0158 -2.4106 1.3210 O 0 0 0
- 3.9986 0.1566 -0.2196 C 0 0 0
- 3.1442 -1.6905 -1.3076 C 0 0 0
- -5.0342 2.1195 -0.6524 O 0 0 0
- -6.3645 0.9690 1.3370 O 0 0 0
- -4.2600 2.3503 1.7659 O 0 0 0
- -2.9576 -4.8219 0.7502 C 0 0 0
- 4.1554 -1.0520 -0.7482 N 0 0 0
- 5.0690 0.8201 0.3663 N 0 0 0
- -3.5196 -6.1366 0.2056 C 0 0 0
- 6.2842 0.2384 0.4026 C 0 0 0
- 7.4455 0.9584 1.0383 C 0 0 0
- 6.4431 -0.8643 -0.0762 O 0 0 0
- 8.6986 0.0852 0.9470 C 0 0 0
- 9.8776 0.8162 1.5924 C 0 0 0
- -0.3021 -0.3921 0.0000 H 0 0 0
- -0.7530 -0.8070 0.0000 H 0 0 0
- -1.8455 1.2498 0.0000 H 0 0 0
- 0.3631 2.8028 0.0000 H 0 0 0
- -3.7679 1.0606 0.0000 H 0 0 0
- -2.9086 3.1962 0.0000 H 0 0 0
- -4.2280 3.5457 0.0000 H 0 0 0
- -3.5292 -3.0596 0.0000 H 0 0 0
- -3.8069 -4.1192 0.0000 H 0 0 0
- 3.2258 -2.6976 0.0000 H 0 0 0
- -7.3224 0.6474 0.0000 H 0 0 0
- -2.2750 -5.5669 0.0000 H 0 0 0
- -1.9973 -4.5074 0.0000 H 0 0 0
- 5.0142 1.8291 0.0000 H 0 0 0
- -4.4487 -5.7394 0.0000 H 0 0 0
- -3.9168 -7.0657 0.0000 H 0 0 0
- -2.5905 -6.5338 0.0000 H 0 0 0
- 8.1301 1.7016 0.0000 H 0 0 0
- 6.8018 1.7372 0.0000 H 0 0 0
- 8.0141 -0.6580 0.0000 H 0 0 0
- 9.3424 -0.6936 0.0000 H 0 0 0
- 10.4101 -0.0426 0.0000 H 0 0 0
- 10.7364 1.3487 0.0000 H 0 0 0
- 9.3451 1.6750 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 11 18 2 0
- 12 19 2 0
- 13 20 1 0
- 15 21 1 0
- 16 22 1 0
- 16 23 2 0
- 17 24 1 0
- 19 25 1 0
- 19 26 1 0
- 24 27 1 0
- 26 28 1 0
- 28 29 1 0
- 28 30 2 0
- 29 31 1 0
- 31 32 1 0
- 5 9 1 0
- 12 14 1 0
- 16 21 1 0
- 20 25 2 0
- 1 33 1 0
- 2 34 1 0
- 5 35 1 0
- 8 36 1 0
- 9 37 1 0
- 15 38 1 0
- 15 39 1 0
- 17 40 1 0
- 17 41 1 0
- 20 42 1 0
- 22 43 1 0
- 24 44 1 0
- 24 45 1 0
- 26 46 1 0
- 27 47 1 0
- 27 48 1 0
- 27 49 1 0
- 29 50 1 0
- 29 51 1 0
- 31 52 1 0
- 31 53 1 0
- 32 54 1 0
- 32 55 1 0
- 32 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-366-70-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -2.6156 0.2917 0.2083 C 0 0 0
- -3.8811 1.0048 0.4838 C 0 0 0
- -1.5312 0.4273 1.0768 C 0 0 0
- -2.5019 -0.5245 -0.9180 C 0 0 0
- -4.9263 0.8718 -0.3567 N 0 0 0
- -3.9789 1.7110 1.4682 O 0 0 0
- -0.3533 -0.2406 0.8139 C 0 0 0
- -1.3181 -1.1871 -1.1693 C 0 0 0
- -6.1803 1.5784 -0.0837 C 0 0 0
- -0.2453 -1.0439 -0.3077 C 0 0 0
- -6.1465 2.9540 -0.7525 C 0 0 0
- -7.3533 0.7692 -0.6407 C 0 0 0
- 1.0446 -1.7707 -0.5885 C 0 0 0
- 1.0122 -3.0915 0.0535 N 0 0 0
- 2.2782 -3.7369 -0.2543 N 0 0 0
- 2.9348 -4.0129 1.0305 C 0 0 0
- 11.9782 2.1761 -0.1553 Cl 0 0 0
- -1.3361 1.4114 0.0000 H 0 0 0
- -3.3302 -1.0905 0.0000 H 0 0 0
- -5.1190 -0.1127 0.0000 H 0 0 0
- 0.4779 0.3211 0.0000 H 0 0 0
- -1.5064 -2.1725 0.0000 H 0 0 0
- -7.0628 2.0556 0.0000 H 0 0 0
- -5.1436 2.9294 0.0000 H 0 0 0
- -6.1219 3.9569 0.0000 H 0 0 0
- -7.1494 2.9786 0.0000 H 0 0 0
- -7.9230 1.5950 0.0000 H 0 0 0
- -8.1791 0.1995 0.0000 H 0 0 0
- -6.7836 -0.0566 0.0000 H 0 0 0
- 2.0303 -1.9576 0.0000 H 0 0 0
- 1.3888 -0.8284 0.0000 H 0 0 0
- 0.1504 -3.6051 0.0000 H 0 0 0
- 1.8557 -4.6468 0.0000 H 0 0 0
- 2.5460 -4.9377 0.0000 H 0 0 0
- 3.8596 -4.4017 0.0000 H 0 0 0
- 3.3236 -3.0881 0.0000 H 0 0 0
- 12.9814 2.1761 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 9 11 1 0
- 9 12 1 0
- 10 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 1 0
- 8 10 2 0
- 3 18 1 0
- 4 19 1 0
- 5 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 11 24 1 0
- 11 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 12 29 1 0
- 13 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 16 35 1 0
- 16 36 1 0
- 17 37 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-372-47-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -2.1811 -0.0459 -0.0004 F 0 0 0
- -0.8312 0.0090 -0.0013 C 0 0 0
- -0.1769 1.2336 0.0012 C 0 0 0
- -0.0817 -1.1552 0.0012 C 0 0 0
- 1.2094 1.2404 0.0007 C 0 0 0
- 1.2359 -1.1081 0.0008 N 0 0 0
- 1.8893 0.0374 -0.0022 C 0 0 0
- -0.7120 2.1212 0.0000 H 0 0 0
- -0.5617 -2.0737 0.0000 H 0 0 0
- 1.7295 2.1368 0.0000 H 0 0 0
- 2.9257 0.0353 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 2 0
- 6 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3778-76-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 31 1 V2000
- -1.0396 -1.5989 -0.3958 C 0 0 0
- -2.0111 -0.9714 0.4166 C 0 0 0
- 0.1059 -2.1386 0.2450 C 0 0 0
- -1.1701 -1.7086 -1.7841 C 0 0 0
- -3.1532 -0.4241 -0.1442 N 0 0 0
- -1.8095 -0.9172 1.7217 N 0 0 0
- 0.1950 -2.0118 1.6436 C 0 0 0
- 1.0932 -2.7696 -0.5229 C 0 0 0
- -0.1903 -2.3288 -2.5019 C 0 0 0
- -4.1077 0.1948 0.6735 N 0 0 0
- -0.7728 -1.4068 2.2928 N 0 0 0
- 0.9367 -2.8546 -1.8745 C 0 0 0
- -4.4148 1.4937 0.4864 C 0 0 0
- -3.8044 2.1965 -0.4864 O 0 0 0
- -5.2427 2.0305 1.1956 O 0 0 0
- -4.1354 3.5958 -0.6880 C 0 0 0
- -3.3066 4.1540 -1.8466 C 0 0 0
- 12.6951 1.5197 0.1954 Cl 0 0 0
- -2.0261 -1.7663 0.0000 H 0 0 0
- -3.5728 -1.1724 0.0000 H 0 0 0
- 1.0359 -1.8415 0.0000 H 0 0 0
- 1.9506 -2.8001 0.0000 H 0 0 0
- -0.6019 -3.0815 0.0000 H 0 0 0
- -4.8090 -0.2994 0.0000 H 0 0 0
- 0.9629 -3.7121 0.0000 H 0 0 0
- -4.5259 4.3597 0.0000 H 0 0 0
- -4.9406 3.2997 0.0000 H 0 0 0
- -2.8273 3.4424 0.0000 H 0 0 0
- -2.5950 4.6333 0.0000 H 0 0 0
- -3.7859 4.8656 0.0000 H 0 0 0
- 13.5530 1.5197 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 2 0
- 10 13 1 0
- 13 14 1 0
- 13 15 2 0
- 14 16 1 0
- 16 17 1 0
- 7 11 1 0
- 9 12 1 0
- 4 19 1 0
- 5 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 12 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
- 17 29 1 0
- 17 30 1 0
- 18 31 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-379-79-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-172185 1 V2000
- -16.0514 -2.9328 -0.8113 C 0 0 0
- -15.2182 -2.9583 0.4006 N 0 0 0
- -15.6277 -4.1234 -1.6764 C 0 0 0
- -17.4167 -3.0603 -0.4195 O 0 0 0
- -15.8437 -1.7114 -1.5234 O 0 0 0
- -13.7524 -3.0193 0.3896 C 0 0 0
- -16.0157 -2.9472 1.4810 C 0 0 0
- -14.1600 -4.0637 -1.8324 N 0 0 0
- -16.1807 -3.9388 -3.1087 C 0 0 0
- -17.4470 -3.0358 1.0124 C 0 0 0
- -13.2871 -3.6528 -0.8957 C 0 0 0
- -13.1822 -1.6035 0.4960 C 0 0 0
- -15.6484 -2.8786 2.6349 O 0 0 0
- -13.8230 -4.4933 -3.1974 C 0 0 0
- -15.1516 -4.7524 -3.9395 C 0 0 0
- -18.1987 -1.8673 1.4770 N 0 0 0
- -18.0931 -4.3170 1.5433 C 0 0 0
- -12.0985 -3.7950 -1.0901 O 0 0 0
- -13.4990 -1.0352 1.8552 C 0 0 0
- -18.8749 -1.1063 0.5937 C 0 0 0
- -12.7431 -1.4042 2.9519 C 0 0 0
- -14.5424 -0.1404 2.0043 C 0 0 0
- -19.6054 0.1250 1.0641 C 0 0 0
- -18.8955 -1.4125 -0.5796 O 0 0 0
- -13.0338 -0.8829 4.1990 C 0 0 0
- -14.8330 0.3809 3.2509 C 0 0 0
- -19.0922 1.3294 0.3176 C 0 0 0
- -21.0999 -0.0155 0.7489 C 0 0 0
- -14.0804 0.0073 4.3490 C 0 0 0
- -19.9102 2.3121 -0.0247 C 0 0 0
- -21.7813 1.2093 1.1665 N 0 0 0
- -19.3653 3.4610 -0.7737 C 0 0 0
- -21.3766 2.3138 0.3088 C 0 0 0
- -23.2155 0.9957 0.9312 C 0 0 0
- -20.1281 4.6418 -0.6657 C 0 0 0
- -18.2373 3.5519 -1.5579 C 0 0 0
- -21.8667 3.6327 0.9244 C 0 0 0
- -21.3479 4.7934 0.1185 C 0 0 0
- -19.8394 5.8574 -1.2920 C 0 0 0
- -17.9275 4.7565 -2.1853 C 0 0 0
- -21.7324 6.0504 -0.0777 C 0 0 0
- -20.8419 6.7004 -0.9182 N 0 0 0
- -18.6915 5.9132 -2.0813 C 0 0 0
- 10.4198 -2.7414 -1.1605 C 0 0 0
- 11.2530 -2.7669 0.0514 N 0 0 0
- 10.8435 -3.9320 -2.0256 C 0 0 0
- 9.0545 -2.8689 -0.7687 O 0 0 0
- 10.6275 -1.5200 -1.8726 O 0 0 0
- 12.7188 -2.8279 0.0404 C 0 0 0
- 10.4555 -2.7558 1.1319 C 0 0 0
- 12.3113 -3.8723 -2.1815 N 0 0 0
- 10.2905 -3.7474 -3.4578 C 0 0 0
- 9.0242 -2.8444 0.6632 C 0 0 0
- 13.1841 -3.4614 -1.2449 C 0 0 0
- 13.2890 -1.4122 0.1468 C 0 0 0
- 10.8228 -2.6872 2.2857 O 0 0 0
- 12.6482 -4.3019 -3.5466 C 0 0 0
- 11.3196 -4.5610 -4.2886 C 0 0 0
- 8.2725 -1.6759 1.1278 N 0 0 0
- 8.3781 -4.1257 1.1942 C 0 0 0
- 14.3727 -3.6036 -1.4393 O 0 0 0
- 12.9722 -0.8438 1.5061 C 0 0 0
- 7.5963 -0.9149 0.2445 C 0 0 0
- 13.7281 -1.2128 2.6027 C 0 0 0
- 11.9288 0.0510 1.6551 C 0 0 0
- 6.8658 0.3164 0.7149 C 0 0 0
- 7.5757 -1.2211 -0.9288 O 0 0 0
- 13.4374 -0.6915 3.8498 C 0 0 0
- 11.6382 0.5722 2.9018 C 0 0 0
- 7.3790 1.5208 -0.0316 C 0 0 0
- 5.3713 0.1759 0.3998 C 0 0 0
- 12.3908 0.1987 3.9998 C 0 0 0
- 6.5610 2.5035 -0.3738 C 0 0 0
- 4.6899 1.4007 0.8173 N 0 0 0
- 7.1059 3.6524 -1.1229 C 0 0 0
- 5.0946 2.5052 -0.0404 C 0 0 0
- 3.2557 1.1871 0.5820 C 0 0 0
- 6.3431 4.8332 -1.0149 C 0 0 0
- 8.2339 3.7433 -1.9071 C 0 0 0
- 4.6045 3.8241 0.5752 C 0 0 0
- 5.1233 4.9847 -0.2307 C 0 0 0
- 6.6318 6.0488 -1.6412 C 0 0 0
- 8.5438 4.9479 -2.5345 C 0 0 0
- 4.7388 6.2418 -0.4269 C 0 0 0
- 5.6293 6.8918 -1.2674 N 0 0 0
- 7.7797 6.1046 -2.4305 C 0 0 0
- 31.0627 1.8129 0.4107 C 0 0 0
- 30.2803 0.5838 0.8776 C 0 0 0
- 32.2904 1.3704 -0.3429 C 0 0 0
- 30.2379 2.6054 -0.4459 O 0 0 0
- 29.0526 1.0263 1.6313 C 0 0 0
- 29.8889 -0.1912 -0.2574 O 0 0 0
- 33.2140 0.6102 0.2660 O 0 0 0
- 32.4433 1.6999 -1.4953 O 0 0 0
- 29.1783 1.7714 2.7406 O 0 0 0
- 27.9551 0.7104 1.2369 O 0 0 0
- -15.7607 -5.0618 0.0000 H 0 0 0
- -15.6848 -0.7770 0.0000 H 0 0 0
- -14.1980 -3.8558 0.0000 H 0 0 0
- -16.2619 -2.9945 0.0000 H 0 0 0
- -17.0153 -4.3881 0.0000 H 0 0 0
- -12.4050 -2.1459 0.0000 H 0 0 0
- -12.4791 -0.9679 0.0000 H 0 0 0
- -13.4979 -5.3836 0.0000 H 0 0 0
- -12.9947 -4.0325 0.0000 H 0 0 0
- -15.8972 -5.3376 0.0000 H 0 0 0
- -14.7573 -5.6143 0.0000 H 0 0 0
- -17.4436 -1.2944 0.0000 H 0 0 0
- -18.9394 -3.8902 0.0000 H 0 0 0
- -18.5199 -5.1633 0.0000 H 0 0 0
- -17.2468 -4.7438 0.0000 H 0 0 0
- -12.0549 -2.0559 0.0000 H 0 0 0
- -15.2763 -0.7402 0.0000 H 0 0 0
- -18.6597 0.1878 0.0000 H 0 0 0
- -12.3012 -0.2815 0.0000 H 0 0 0
- -15.5190 1.0349 0.0000 H 0 0 0
- -18.1544 1.4670 0.0000 H 0 0 0
- -21.9837 -0.3580 0.0000 H 0 0 0
- -20.8822 -0.9380 0.0000 H 0 0 0
- -13.5588 0.7987 0.0000 H 0 0 0
- -22.3244 2.3116 0.0000 H 0 0 0
- -23.3551 1.9332 0.0000 H 0 0 0
- -24.1530 0.8561 0.0000 H 0 0 0
- -23.0759 0.0582 0.0000 H 0 0 0
- -17.6269 2.8268 0.0000 H 0 0 0
- -22.6006 4.2325 0.0000 H 0 0 0
- -22.6377 3.0815 0.0000 H 0 0 0
- -16.9927 4.9131 0.0000 H 0 0 0
- -22.6316 6.3501 0.0000 H 0 0 0
- -20.8094 7.6476 0.0000 H 0 0 0
- -18.2629 6.7586 0.0000 H 0 0 0
- 10.7105 -4.8704 0.0000 H 0 0 0
- 10.7864 -0.5856 0.0000 H 0 0 0
- 12.2732 -3.6644 0.0000 H 0 0 0
- 10.2093 -2.8031 0.0000 H 0 0 0
- 9.4559 -4.1967 0.0000 H 0 0 0
- 14.0662 -1.9547 0.0000 H 0 0 0
- 13.9921 -0.7766 0.0000 H 0 0 0
- 12.9733 -5.1922 0.0000 H 0 0 0
- 13.4765 -3.8412 0.0000 H 0 0 0
- 10.5740 -5.1462 0.0000 H 0 0 0
- 11.7139 -5.4229 0.0000 H 0 0 0
- 9.0276 -1.1030 0.0000 H 0 0 0
- 7.5318 -3.6989 0.0000 H 0 0 0
- 7.9514 -4.9720 0.0000 H 0 0 0
- 9.2244 -4.5525 0.0000 H 0 0 0
- 14.4163 -1.8645 0.0000 H 0 0 0
- 11.1950 -0.5489 0.0000 H 0 0 0
- 7.8115 0.3792 0.0000 H 0 0 0
- 14.1700 -0.0901 0.0000 H 0 0 0
- 10.9521 1.2261 0.0000 H 0 0 0
- 8.3168 1.6584 0.0000 H 0 0 0
- 4.4875 -0.1666 0.0000 H 0 0 0
- 5.5890 -0.7466 0.0000 H 0 0 0
- 12.9124 0.9901 0.0000 H 0 0 0
- 4.1468 2.5030 0.0000 H 0 0 0
- 3.1161 2.1246 0.0000 H 0 0 0
- 2.3182 1.0475 0.0000 H 0 0 0
- 3.3953 0.2496 0.0000 H 0 0 0
- 8.8443 3.0182 0.0000 H 0 0 0
- 3.8706 4.4239 0.0000 H 0 0 0
- 3.8335 3.2729 0.0000 H 0 0 0
- 9.4786 5.1045 0.0000 H 0 0 0
- 3.8396 6.5415 0.0000 H 0 0 0
- 5.6618 7.8390 0.0000 H 0 0 0
- 8.2083 6.9500 0.0000 H 0 0 0
- 31.5627 2.6181 0.0000 H 0 0 0
- 31.1041 0.1151 0.0000 H 0 0 0
- 29.5544 3.2621 0.0000 H 0 0 0
- 29.4616 -1.0372 0.0000 H 0 0 0
- 33.9458 0.0079 0.0000 H 0 0 0
- 29.3360 2.7060 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 6 12 1 0
- 7 13 2 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 2 0
- 12 19 1 0
- 16 20 1 0
- 19 21 2 0
- 19 22 1 0
- 20 23 1 0
- 20 24 2 0
- 21 25 1 0
- 22 26 2 0
- 23 27 1 0
- 23 28 1 0
- 25 29 2 0
- 27 30 2 0
- 28 31 1 0
- 30 32 1 0
- 30 33 1 0
- 31 34 1 0
- 32 35 2 0
- 32 36 1 0
- 33 37 1 0
- 35 38 1 0
- 35 39 1 0
- 36 40 2 0
- 38 41 2 0
- 39 42 1 0
- 39 43 2 0
- 44 45 1 0
- 44 46 1 0
- 44 47 1 0
- 44 48 1 0
- 45 49 1 0
- 45 50 1 0
- 46 51 1 0
- 46 52 1 0
- 47 53 1 0
- 49 54 1 0
- 49 55 1 0
- 50 56 2 0
- 51 57 1 0
- 52 58 1 0
- 53 59 1 0
- 53 60 1 0
- 54 61 2 0
- 55 62 1 0
- 59 63 1 0
- 62 64 2 0
- 62 65 1 0
- 63 66 1 0
- 63 67 2 0
- 64 68 1 0
- 65 69 2 0
- 66 70 1 0
- 66 71 1 0
- 68 72 2 0
- 70 73 2 0
- 71 74 1 0
- 73 75 1 0
- 73 76 1 0
- 74 77 1 0
- 75 78 2 0
- 75 79 1 0
- 76 80 1 0
- 78 81 1 0
- 78 82 1 0
- 79 83 2 0
- 81 84 2 0
- 82 85 1 0
- 82 86 2 0
- 87 88 1 0
- 87 89 1 0
- 87 90 1 0
- 88 91 1 0
- 88 92 1 0
- 89 93 1 0
- 89 94 2 0
- 91 95 1 0
- 91 96 2 0
- 7 10 1 0
- 8 11 1 0
- 14 15 1 0
- 26 29 1 0
- 31 33 1 0
- 37 38 1 0
- 40 43 1 0
- 41 42 1 0
- 50 53 1 0
- 51 54 1 0
- 57 58 1 0
- 69 72 1 0
- 74 76 1 0
- 80 81 1 0
- 83 86 1 0
- 84 85 1 0
- 3 97 1 0
- 5 98 1 0
- 6 99 1 0
- 9100 1 0
- 9101 1 0
- 12102 1 0
- 12103 1 0
- 14104 1 0
- 14105 1 0
- 15106 1 0
- 15107 1 0
- 16108 1 0
- 17109 1 0
- 17110 1 0
- 17111 1 0
- 21112 1 0
- 22113 1 0
- 23114 1 0
- 25115 1 0
- 26116 1 0
- 27117 1 0
- 28118 1 0
- 28119 1 0
- 29120 1 0
- 33121 1 0
- 34122 1 0
- 34123 1 0
- 34124 1 0
- 36125 1 0
- 37126 1 0
- 37127 1 0
- 40128 1 0
- 41129 1 0
- 42130 1 0
- 43131 1 0
- 46132 1 0
- 48133 1 0
- 49134 1 0
- 52135 1 0
- 52136 1 0
- 55137 1 0
- 55138 1 0
- 57139 1 0
- 57140 1 0
- 58141 1 0
- 58142 1 0
- 59143 1 0
- 60144 1 0
- 60145 1 0
- 60146 1 0
- 64147 1 0
- 65148 1 0
- 66149 1 0
- 68150 1 0
- 69151 1 0
- 70152 1 0
- 71153 1 0
- 71154 1 0
- 72155 1 0
- 76156 1 0
- 77157 1 0
- 77158 1 0
- 77159 1 0
- 79160 1 0
- 80161 1 0
- 80162 1 0
- 83163 1 0
- 84164 1 0
- 85165 1 0
- 86166 1 0
- 87167 1 0
- 88168 1 0
- 90169 1 0
- 92170 1 0
- 93171 1 0
- 95172 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-3836-23-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 68 71 1 V2000
- 1.2077 0.4952 0.5406 C 0 0 2
- -0.1448 -0.0355 0.0765 C 0 0 2
- 1.1909 2.0074 0.2046 C 0 0 0
- 2.2817 -0.1679 -0.1771 O 0 0 0
- 1.3632 0.2966 1.9908 C 0 0 0
- -1.0812 1.1933 0.2285 C 0 0 1
- -0.7476 -1.1550 0.9033 C 0 0 0
- -0.0649 -0.4518 -1.3936 C 0 0 0
- -0.2209 2.3136 -0.3661 C 0 0 0
- 3.5587 0.0510 0.1737 C 0 0 0
- 1.4873 0.1382 3.1475 C 0 0 0
- -2.3579 0.8741 -0.5276 C 0 0 1
- -2.0938 -1.5209 0.2587 C 0 0 0
- 4.6772 -0.5341 -0.6495 C 0 0 0
- 3.8114 0.7172 1.1496 O 0 0 0
- -3.0266 -0.3160 0.1757 C 0 0 2
- -3.3020 2.0787 -0.4810 C 0 0 0
- 6.0222 -0.1371 -0.0377 C 0 0 0
- -4.2944 -0.7131 -0.5901 C 0 0 2
- -4.5552 1.7673 -1.3024 C 0 0 0
- 7.1577 -0.7311 -0.8735 C 0 0 0
- -5.1742 0.4843 -0.7783 C 0 0 0
- -4.9694 -1.8703 0.1249 C 0 0 0
- 8.5028 -0.3341 -0.2617 C 0 0 0
- -6.4834 0.4827 -0.5295 C 0 0 0
- -6.4180 -2.0455 -0.3294 C 0 0 0
- 9.6383 -0.9282 -1.0975 C 0 0 0
- -7.1402 -0.7407 -0.0565 C 0 0 0
- 10.9833 -0.5312 -0.4857 C 0 0 0
- -8.2060 -0.7100 0.5224 O 0 0 0
- 2.2126 1.9421 0.0000 H 0 0 0
- 1.3324 3.0214 0.0000 H 0 0 0
- -1.6427 2.0494 0.0000 H 0 0 0
- -0.7350 -2.1787 0.0000 H 0 0 0
- 0.2467 -1.3992 0.0000 H 0 0 0
- -1.0704 -0.6448 0.0000 H 0 0 0
- 0.1281 -1.4573 0.0000 H 0 0 0
- 0.9406 -0.2588 0.0000 H 0 0 0
- 0.1404 3.2716 0.0000 H 0 0 0
- -1.1155 2.8114 0.0000 H 0 0 0
- 2.1187 -0.6677 0.0000 H 0 0 0
- -1.7367 0.0603 0.0000 H 0 0 0
- -2.9784 -2.0364 0.0000 H 0 0 0
- -1.6984 -2.4653 0.0000 H 0 0 0
- 3.9799 -1.2838 0.0000 H 0 0 0
- 5.2161 -1.4046 0.0000 H 0 0 0
- -3.6713 0.4793 0.0000 H 0 0 0
- -2.4157 2.5913 0.0000 H 0 0 0
- -3.6855 3.0280 0.0000 H 0 0 0
- 6.7195 0.6126 0.0000 H 0 0 0
- 5.4833 0.7334 0.0000 H 0 0 0
- -3.6561 -1.5136 0.0000 H 0 0 0
- -4.5680 2.7910 0.0000 H 0 0 0
- -5.5547 1.9892 0.0000 H 0 0 0
- 6.4604 -1.4807 0.0000 H 0 0 0
- 7.6966 -1.6016 0.0000 H 0 0 0
- -5.0673 -2.8894 0.0000 H 0 0 0
- -3.9950 -2.1845 0.0000 H 0 0 0
- 9.2001 0.4155 0.0000 H 0 0 0
- 7.9640 0.5365 0.0000 H 0 0 0
- -7.0095 1.3610 0.0000 H 0 0 0
- -7.3699 -2.4225 0.0000 H 0 0 0
- -6.1659 -3.0378 0.0000 H 0 0 0
- 8.9410 -1.6778 0.0000 H 0 0 0
- 10.1772 -1.7987 0.0000 H 0 0 0
- 11.2731 -1.5131 0.0000 H 0 0 0
- 11.9652 -0.2414 0.0000 H 0 0 0
- 10.6935 0.4507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 4 10 1 0
- 5 11 3 0
- 6 12 1 0
- 7 13 1 0
- 10 14 1 0
- 10 15 2 0
- 12 16 1 0
- 12 17 1 0
- 14 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 19 23 1 0
- 21 24 1 0
- 22 25 2 0
- 23 26 1 0
- 24 27 1 0
- 25 28 1 0
- 27 29 1 0
- 28 30 2 0
- 6 9 1 0
- 13 16 1 0
- 20 22 1 0
- 26 28 1 0
- 3 31 1 0
- 3 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 8 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 16 47 1 0
- 17 48 1 0
- 17 49 1 0
- 18 50 1 0
- 18 51 1 0
- 19 52 1 0
- 20 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 23 57 1 0
- 23 58 1 0
- 24 59 1 0
- 24 60 1 0
- 25 61 1 0
- 26 62 1 0
- 26 63 1 0
- 27 64 1 0
- 27 65 1 0
- 29 66 1 0
- 29 67 1 0
- 29 68 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-38915-28-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 55 55 1 V2000
- -0.7626 0.8146 -0.4872 C 0 0 0
- -2.0486 1.3444 -0.7252 C 0 0 0
- 0.2267 1.6207 0.1277 C 0 0 0
- -0.4802 -0.4475 -0.8364 N 0 0 0
- -2.2932 2.6719 -0.3340 C 0 0 0
- -3.0341 0.5839 -1.3232 N 0 0 0
- -0.0245 2.8768 0.4917 N 0 0 0
- 1.5089 1.0635 0.3547 C 0 0 0
- 0.7078 -0.9659 -0.6267 C 0 0 0
- -1.2144 3.4371 0.2960 C 0 0 0
- -3.5430 3.2839 -0.5303 C 0 0 0
- -3.6063 -0.2677 -0.2718 C 0 0 0
- 1.7350 -0.2219 -0.0277 C 0 0 0
- 0.9467 -2.2486 -0.9969 O 0 0 0
- -1.4715 4.7669 0.6839 C 0 0 0
- -3.7272 4.5714 -0.1328 C 0 0 0
- -4.7111 -1.1418 -0.8687 C 0 0 0
- -0.2645 -2.7457 -1.5696 C 0 0 0
- -2.7025 5.3036 0.4666 C 0 0 0
- -5.3071 -2.0288 0.2263 C 0 0 0
- -3.0066 6.9430 0.9497 Cl 0 0 0
- -6.3678 -2.8681 -0.3467 N 0 0 0
- -6.8948 -3.6902 0.7507 C 0 0 0
- -7.4503 -1.9617 -0.7526 C 0 0 0
- -6.6262 -5.1673 0.4558 C 0 0 0
- -8.0051 -2.4047 -2.1079 C 0 0 0
- -7.2730 -6.1763 1.8028 Cl 0 0 0
- 12.1464 -0.9486 -0.2615 Cl 0 0 0
- 20.7455 -1.6665 0.4739 Cl 0 0 0
- -3.7486 1.2530 0.0000 H 0 0 0
- 2.2777 1.6694 0.0000 H 0 0 0
- -4.3346 2.7082 0.0000 H 0 0 0
- -3.3651 -1.2164 0.0000 H 0 0 0
- -2.6418 -0.4346 0.0000 H 0 0 0
- 2.6422 -0.5894 0.0000 H 0 0 0
- -0.7075 5.3788 0.0000 H 0 0 0
- -4.6272 4.9563 0.0000 H 0 0 0
- -4.9523 -0.1931 0.0000 H 0 0 0
- -5.6756 -0.9749 0.0000 H 0 0 0
- -0.6362 -1.8401 0.0000 H 0 0 0
- -1.1700 -3.1174 0.0000 H 0 0 0
- 0.1072 -3.6512 0.0000 H 0 0 0
- -5.0658 -2.9774 0.0000 H 0 0 0
- -4.3426 -2.1957 0.0000 H 0 0 0
- -7.5455 -2.9589 0.0000 H 0 0 0
- -7.7747 -4.1190 0.0000 H 0 0 0
- -6.7733 -1.2547 0.0000 H 0 0 0
- -8.1107 -1.2391 0.0000 H 0 0 0
- -5.9755 -5.8986 0.0000 H 0 0 0
- -5.7463 -4.7384 0.0000 H 0 0 0
- -8.6159 -1.6398 0.0000 H 0 0 0
- -8.7700 -3.0155 0.0000 H 0 0 0
- -7.3943 -3.1696 0.0000 H 0 0 0
- 13.1253 -0.9486 0.0000 H 0 0 0
- 21.7244 -1.6665 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 14 18 1 0
- 15 19 2 0
- 17 20 1 0
- 19 21 1 0
- 20 22 1 0
- 22 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 7 10 2 0
- 9 13 1 0
- 16 19 1 0
- 6 30 1 0
- 8 31 1 0
- 11 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 15 36 1 0
- 16 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 18 42 1 0
- 20 43 1 0
- 20 44 1 0
- 23 45 1 0
- 23 46 1 0
- 24 47 1 0
- 24 48 1 0
- 25 49 1 0
- 25 50 1 0
- 26 51 1 0
- 26 52 1 0
- 26 53 1 0
- 28 54 1 0
- 29 55 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-39013-93-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 57 58 1 V2000
- -5.4436 0.6582 0.4259 C 0 0 0
- -6.2227 1.6010 -0.2869 C 0 0 0
- -4.1892 1.0466 0.9319 C 0 0 0
- -5.9158 -0.6575 0.6360 C 0 0 0
- -7.5328 1.1841 -0.8114 C 0 0 0
- -5.7888 2.8380 -0.4827 N 0 0 0
- -3.7656 2.3712 0.7010 C 0 0 0
- -3.3984 0.1583 1.6327 N 0 0 0
- -7.1162 -1.0583 0.1686 C 0 0 0
- -7.9628 -0.1405 -0.5836 C 0 0 0
- -8.3042 2.0295 -1.4869 N 0 0 0
- -4.6081 3.2537 -0.0233 C 0 0 0
- -2.5254 2.8279 1.1764 C 0 0 0
- -2.5407 -0.5123 0.6465 C 0 0 0
- -9.2114 -0.5450 -1.0809 C 0 0 0
- -9.4751 1.6604 -1.9563 C 0 0 0
- -4.1761 4.5753 -0.2486 C 0 0 0
- -2.1435 4.1123 0.9373 C 0 0 0
- -1.6329 -1.5166 1.3593 C 0 0 0
- -9.9603 0.3717 -1.7696 C 0 0 0
- -2.9690 4.9829 0.2270 C 0 0 0
- -0.7396 -2.2150 0.3322 C 0 0 0
- 0.1320 -3.1793 1.0166 N 0 0 0
- 0.9587 -3.8112 -0.0204 C 0 0 0
- 1.0425 -2.3978 1.8641 C 0 0 0
- 0.6444 -5.3073 -0.0818 C 0 0 0
- 1.2028 -3.0936 3.2173 C 0 0 0
- 1.6590 -6.0828 -1.3545 Cl 0 0 0
- 14.3492 0.4652 -0.4660 Cl 0 0 0
- 22.7939 2.3841 -0.3998 Cl 0 0 0
- -5.2477 -1.3407 0.0000 H 0 0 0
- -4.0522 -0.5386 0.0000 H 0 0 0
- -7.3542 -1.9837 0.0000 H 0 0 0
- -1.8285 2.1741 0.0000 H 0 0 0
- -1.6195 -0.2585 0.0000 H 0 0 0
- -2.3533 0.4247 0.0000 H 0 0 0
- -9.4812 -1.4617 0.0000 H 0 0 0
- -10.1320 2.3543 0.0000 H 0 0 0
- -4.8550 5.2477 0.0000 H 0 0 0
- -1.2142 4.3347 0.0000 H 0 0 0
- -2.5541 -1.7704 0.0000 H 0 0 0
- -1.8203 -2.4536 0.0000 H 0 0 0
- -10.9033 0.2172 0.0000 H 0 0 0
- -2.7389 5.9103 0.0000 H 0 0 0
- 0.1816 -1.9613 0.0000 H 0 0 0
- -0.5522 -1.2780 0.0000 H 0 0 0
- 1.8545 -4.1439 0.0000 H 0 0 0
- 1.4203 -2.9745 0.0000 H 0 0 0
- 1.9272 -2.0368 0.0000 H 0 0 0
- 0.5444 -1.5824 0.0000 H 0 0 0
- -0.2514 -4.9746 0.0000 H 0 0 0
- 0.1829 -6.1440 0.0000 H 0 0 0
- 0.2716 -3.3081 0.0000 H 0 0 0
- 1.4173 -4.0248 0.0000 H 0 0 0
- 2.1340 -2.8791 0.0000 H 0 0 0
- 15.3047 0.4652 0.0000 H 0 0 0
- 23.7494 2.3841 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 1 0
- 11 16 2 0
- 12 17 1 0
- 13 18 2 0
- 14 19 1 0
- 15 20 2 0
- 17 21 2 0
- 19 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 7 12 1 0
- 9 10 1 0
- 16 20 1 0
- 18 21 1 0
- 4 31 1 0
- 8 32 1 0
- 9 33 1 0
- 13 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 22 45 1 0
- 22 46 1 0
- 24 47 1 0
- 24 48 1 0
- 25 49 1 0
- 25 50 1 0
- 26 51 1 0
- 26 52 1 0
- 27 53 1 0
- 27 54 1 0
- 27 55 1 0
- 29 56 1 0
- 30 57 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-40297-54-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 50 1 V2000
- 2.7109 0.0073 0.2090 N 0 0 0
- 1.8146 -1.0089 0.4242 C 0 0 0
- 4.1708 -0.0962 0.2744 C 0 0 2
- 1.9941 1.1295 -0.0828 C 0 0 0
- 0.5398 -0.4435 0.2538 C 0 0 0
- 1.9136 -2.2980 0.7326 N 0 0 0
- 4.7277 1.1826 0.6491 O 0 0 0
- 4.7313 -0.3721 -1.1384 C 0 0 1
- 0.7206 0.8621 -0.0590 N 0 0 0
- -0.5818 -1.2742 0.4187 C 0 0 0
- 0.8348 -3.0380 0.8772 C 0 0 0
- 6.0946 1.1534 0.1836 C 0 0 1
- 6.0260 0.4689 -1.1995 C 0 0 1
- 5.0575 -1.7582 -1.2591 O 0 0 0
- -1.8626 -0.7737 0.2630 N 0 0 0
- -0.3839 -2.5515 0.7271 N 0 0 0
- 6.6079 2.5853 0.0190 C 0 0 0
- 7.1504 -0.3986 -1.3579 O 0 0 0
- -3.0198 -1.6547 0.4388 C 0 0 0
- 6.5867 3.2474 1.2852 O 0 0 0
- -4.2870 -0.8701 0.2161 C 0 0 0
- -4.8347 -0.7865 -1.0506 C 0 0 0
- -4.9047 -0.2387 1.2791 C 0 0 0
- -5.9969 -0.0669 -1.2549 C 0 0 0
- -6.0672 0.4812 1.0748 C 0 0 0
- -6.6117 0.5695 -0.1926 C 0 0 0
- -7.8563 1.3402 -0.4113 N 0 3 0
- -8.3979 1.9008 0.5246 O 0 0 0
- -8.3389 1.4138 -1.5272 O 0 5 0
- 3.9078 -1.0687 0.0000 H 0 0 0
- 2.3843 2.0583 0.0000 H 0 0 0
- 3.9430 -0.9995 0.0000 H 0 0 0
- 0.9461 -4.0393 0.0000 H 0 0 0
- 7.0773 0.9315 0.0000 H 0 0 0
- 5.1657 0.9932 0.0000 H 0 0 0
- 5.2883 -2.7389 0.0000 H 0 0 0
- -2.0023 0.2240 0.0000 H 0 0 0
- 7.3503 1.9042 0.0000 H 0 0 0
- 7.5236 3.0055 0.0000 H 0 0 0
- 7.9481 -1.0140 0.0000 H 0 0 0
- -3.6504 -2.4404 0.0000 H 0 0 0
- -2.3166 -2.3761 0.0000 H 0 0 0
- 6.5545 4.2544 0.0000 H 0 0 0
- -5.1829 -1.7319 0.0000 H 0 0 0
- -4.2748 0.5476 0.0000 H 0 0 0
- -6.6292 -0.8512 0.0000 H 0 0 0
- -5.7145 1.4249 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 2 0
- 12 17 1 0
- 13 18 1 0
- 15 19 1 0
- 17 20 1 0
- 19 21 1 0
- 21 22 1 0
- 21 23 2 0
- 22 24 2 0
- 23 25 1 0
- 24 26 1 0
- 26 27 1 0
- 27 28 2 0
- 27 29 1 0
- 5 9 1 0
- 11 16 1 0
- 12 13 1 0
- 25 26 2 0
- 3 30 1 0
- 4 31 1 0
- 8 32 1 0
- 11 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 17 38 1 0
- 17 39 1 0
- 18 40 1 0
- 19 41 1 0
- 19 42 1 0
- 20 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 25 47 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-41372-08-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 31 30 1 V2000
- -3.0577 0.7565 0.3727 C 0 0 1
- -2.2166 1.7354 -0.4054 C 0 0 0
- -2.2087 0.1163 1.4728 C 0 0 0
- -4.2418 1.4911 1.0047 C 0 0 0
- -3.5560 -0.2882 -0.5318 N 0 0 0
- -2.4785 1.9630 -1.7021 O 0 0 0
- -1.3066 2.3154 0.1380 O 0 0 0
- -1.0759 -0.6562 0.8475 C 0 0 0
- 0.0518 0.0100 0.4053 C 0 0 0
- -1.1643 -2.0302 0.7226 C 0 0 0
- 1.0945 -0.6989 -0.1694 C 0 0 0
- -0.1277 -2.7435 0.1501 C 0 0 0
- 1.0032 -2.0813 -0.3000 C 0 0 0
- 2.2044 -0.0450 -0.6053 O 0 0 0
- 2.0239 -2.7815 -0.8634 O 0 0 0
- 11.6354 1.8787 0.4202 O 0 0 0
- -3.0921 -0.2750 0.0000 H 0 0 0
- -2.2963 -0.8459 0.0000 H 0 0 0
- -3.7325 2.3121 0.0000 H 0 0 0
- -5.0628 2.0004 0.0000 H 0 0 0
- -4.7511 0.6701 0.0000 H 0 0 0
- -4.5192 -0.3640 0.0000 H 0 0 0
- -3.0088 -1.0844 0.0000 H 0 0 0
- -3.2078 2.5967 0.0000 H 0 0 0
- 0.0825 0.9757 0.0000 H 0 0 0
- -2.0335 -2.4521 0.0000 H 0 0 0
- -0.1629 -3.7090 0.0000 H 0 0 0
- 3.0368 0.4454 0.0000 H 0 0 0
- 2.8206 -3.3280 0.0000 H 0 0 0
- 10.6692 1.8787 0.0000 H 0 0 0
- 12.6016 1.8787 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 2 0
- 3 8 1 0
- 8 9 2 0
- 8 10 1 0
- 9 11 1 0
- 10 12 2 0
- 11 13 2 0
- 11 14 1 0
- 13 15 1 0
- 12 13 1 0
- 3 17 1 0
- 3 18 1 0
- 4 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 5 23 1 0
- 6 24 1 0
- 9 25 1 0
- 10 26 1 0
- 12 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
- 16 31 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-43000-65-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 82 86 1 V2000
- 6.1057 0.4666 0.4854 C 0 0 2
- 4.9748 -0.1672 -0.3305 C 0 0 1
- 7.3259 -0.4509 0.4361 C 0 0 1
- 5.6494 0.6398 1.9353 C 0 0 0
- 3.7477 0.7454 -0.2907 C 0 0 2
- 5.4220 -0.3628 -1.7791 C 0 0 0
- 7.7791 -0.6036 -1.0164 C 0 0 2
- 8.4820 0.1344 1.2483 C 0 0 0
- 4.4207 1.5507 1.9772 C 0 0 0
- 3.2909 0.9225 1.1588 C 0 0 1
- 2.6176 0.1168 -1.1084 C 0 0 0
- 4.1074 2.1097 -0.8824 C 0 0 0
- 6.6631 -1.2601 -1.8258 C 0 0 0
- 9.0128 -1.3698 -1.0819 N 0 0 0
- 8.0325 0.7875 -1.6009 C 0 0 0
- 9.6012 -0.9096 1.3093 C 0 0 0
- 2.0637 1.8353 1.1988 C 0 0 0
- 1.3905 1.0297 -1.0684 C 0 0 0
- 9.8581 -1.4842 -0.0532 C 0 0 0
- 0.9336 1.2068 0.3810 C 0 0 2
- 10.8946 -2.0883 -0.2312 O 0 0 0
- -0.2310 2.0731 0.4190 O 0 0 0
- -1.4625 1.5463 0.3313 C 0 0 0
- -2.6712 2.4455 0.3708 C 0 0 0
- -1.6019 0.3512 0.2208 O 0 0 0
- -3.9213 1.6119 0.2553 C 0 0 0
- -4.5332 1.1246 1.3954 C 0 0 0
- -4.4571 1.3407 -0.9906 C 0 0 0
- -5.6791 0.3603 1.2932 C 0 0 0
- -5.6025 0.5772 -1.1000 C 0 0 0
- -6.2167 0.0813 0.0433 C 0 0 0
- -7.3751 -0.6917 -0.0637 N 0 0 0
- -7.2788 -2.1113 -0.4127 C 0 0 0
- -8.6864 -0.0829 0.1729 C 0 0 0
- -6.9882 -2.9278 0.8481 C 0 0 0
- -9.0310 0.8531 -0.9872 C 0 0 0
- -6.8697 -4.6749 0.4186 Cl 0 0 0
- -10.6449 1.6023 -0.6959 Cl 0 0 0
- 6.5828 1.3323 0.0000 H 0 0 0
- 4.4786 -1.0221 0.0000 H 0 0 0
- 6.8652 -1.3254 0.0000 H 0 0 0
- 4.7824 0.1651 0.0000 H 0 0 0
- 5.7176 -0.3463 0.0000 H 0 0 0
- 6.2930 0.1045 0.0000 H 0 0 0
- 5.3824 0.6248 0.0000 H 0 0 0
- 9.2361 0.7734 0.0000 H 0 0 0
- 7.9355 0.9580 0.0000 H 0 0 0
- 5.1157 2.2536 0.0000 H 0 0 0
- 3.8231 2.3380 0.0000 H 0 0 0
- 2.8130 0.0573 0.0000 H 0 0 0
- 1.9219 -0.5853 0.0000 H 0 0 0
- 3.2148 -0.6708 0.0000 H 0 0 0
- 5.0632 1.8577 0.0000 H 0 0 0
- 4.3594 3.0655 0.0000 H 0 0 0
- 3.1516 2.3617 0.0000 H 0 0 0
- 5.9795 -1.9740 0.0000 H 0 0 0
- 7.2765 -2.0352 0.0000 H 0 0 0
- 8.6784 -2.2999 0.0000 H 0 0 0
- 9.0049 0.6104 0.0000 H 0 0 0
- 8.2096 1.7599 0.0000 H 0 0 0
- 7.0601 0.9646 0.0000 H 0 0 0
- 10.5892 -0.8799 0.0000 H 0 0 0
- 9.9497 0.0154 0.0000 H 0 0 0
- 2.7594 2.5375 0.0000 H 0 0 0
- 1.4665 2.6229 0.0000 H 0 0 0
- 2.2591 1.5014 0.0000 H 0 0 0
- 1.3274 2.0161 0.0000 H 0 0 0
- 0.4557 0.3416 0.0000 H 0 0 0
- -1.9946 3.1661 0.0000 H 0 0 0
- -3.3098 3.1999 0.0000 H 0 0 0
- -3.9506 0.3261 0.0000 H 0 0 0
- -4.9553 2.1944 0.0000 H 0 0 0
- -5.1765 -0.4908 0.0000 H 0 0 0
- -6.1877 1.3738 0.0000 H 0 0 0
- -8.2023 -1.7590 0.0000 H 0 0 0
- -7.9856 -2.8023 0.0000 H 0 0 0
- -9.6708 -0.1720 0.0000 H 0 0 0
- -8.8558 -1.0567 0.0000 H 0 0 0
- -6.0647 -3.2801 0.0000 H 0 0 0
- -6.2814 -2.2368 0.0000 H 0 0 0
- -8.0466 0.9422 0.0000 H 0 0 0
- -8.8617 1.8269 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 19 21 2 0
- 20 22 1 0
- 22 23 1 0
- 23 24 1 0
- 23 25 2 0
- 24 26 1 0
- 26 27 2 0
- 26 28 1 0
- 27 29 1 0
- 28 30 2 0
- 29 31 2 0
- 31 32 1 0
- 32 33 1 0
- 32 34 1 0
- 33 35 1 0
- 34 36 1 0
- 35 37 1 0
- 36 38 1 0
- 7 13 1 0
- 9 10 1 0
- 16 19 1 0
- 18 20 1 0
- 30 31 1 0
- 1 39 1 0
- 2 40 1 0
- 3 41 1 0
- 4 42 1 0
- 4 43 1 0
- 6 44 1 0
- 6 45 1 0
- 8 46 1 0
- 8 47 1 0
- 9 48 1 0
- 9 49 1 0
- 10 50 1 0
- 11 51 1 0
- 11 52 1 0
- 12 53 1 0
- 12 54 1 0
- 12 55 1 0
- 13 56 1 0
- 13 57 1 0
- 14 58 1 0
- 15 59 1 0
- 15 60 1 0
- 15 61 1 0
- 16 62 1 0
- 16 63 1 0
- 17 64 1 0
- 17 65 1 0
- 18 66 1 0
- 18 67 1 0
- 20 68 1 0
- 24 69 1 0
- 24 70 1 0
- 27 71 1 0
- 28 72 1 0
- 29 73 1 0
- 30 74 1 0
- 33 75 1 0
- 33 76 1 0
- 34 77 1 0
- 34 78 1 0
- 35 79 1 0
- 35 80 1 0
- 36 81 1 0
- 36 82 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4494-26-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 1.0958 -0.7276 0.4512 C 0 0 2
- -0.3510 -0.5597 0.2934 N 0 0 0
- 1.7164 0.5670 0.6083 O 0 0 0
- 1.6937 -1.2960 -0.8548 C 0 0 0
- -0.8474 0.6691 0.0045 C 0 0 0
- -1.1535 -1.6264 0.4327 C 0 0 0
- 3.0962 0.3764 0.2267 C 0 0 1
- 3.0399 -0.5530 -1.0060 C 0 0 1
- -2.2160 0.8292 -0.1450 C 0 0 0
- -2.4881 -1.5411 0.3007 N 0 0 0
- -0.6563 -2.7061 0.6863 O 0 0 0
- 3.7044 1.7214 -0.1760 C 0 0 0
- 4.1133 -1.4943 -0.9421 O 0 0 0
- -3.0738 -0.3580 0.0193 C 0 0 0
- -2.7915 2.1366 -0.4569 C 0 0 0
- 3.6742 2.6115 0.9415 O 0 0 0
- -4.2815 -0.2745 -0.1011 O 0 0 0
- -3.9926 2.2562 -0.5840 O 0 0 0
- 0.6706 -1.6360 0.0000 H 0 0 0
- 0.9321 -1.9487 0.0000 H 0 0 0
- 2.2654 -2.1201 0.0000 H 0 0 0
- -0.2391 1.4666 0.0000 H 0 0 0
- 4.0698 0.1355 0.0000 H 0 0 0
- 3.9656 -0.1669 0.0000 H 0 0 0
- -3.0440 -2.3759 0.0000 H 0 0 0
- 4.4065 1.0051 0.0000 H 0 0 0
- 4.6264 2.1163 0.0000 H 0 0 0
- 4.8674 -2.1556 0.0000 H 0 0 0
- -2.2025 2.9484 0.0000 H 0 0 0
- 3.6402 3.6139 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 1 0
- 9 15 1 0
- 12 16 1 0
- 14 17 2 0
- 15 18 2 0
- 7 8 1 0
- 10 14 1 0
- 1 19 1 0
- 4 20 1 0
- 4 21 1 0
- 5 22 1 0
- 7 23 1 0
- 8 24 1 0
- 10 25 1 0
- 12 26 1 0
- 12 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4691-65-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 38 1 V2000
- -3.9287 0.5054 -0.1820 N 0 0 0
- -4.9312 1.4196 -0.3559 C 0 0 0
- -2.7256 0.6838 0.6347 C 0 0 2
- -4.2564 -0.6040 -0.9027 C 0 0 0
- -5.8618 0.8176 -1.2083 C 0 0 0
- -5.1559 2.6605 0.0986 N 0 0 0
- -1.6526 -0.1165 0.0925 O 0 0 0
- -2.9721 0.1086 2.0471 C 0 0 1
- -5.3965 -0.4185 -1.5031 N 0 0 0
- -7.0222 1.5492 -1.5646 C 0 0 0
- -6.2283 3.3203 -0.2390 C 0 0 0
- -0.7317 -0.3107 1.1879 C 0 0 1
- -1.6302 -0.5607 2.4194 C 0 0 1
- -3.2397 1.1777 2.9567 O 0 0 0
- -7.1711 2.7949 -1.0613 N 0 0 0
- -7.8628 1.0684 -2.3049 O 0 0 0
- 0.1242 -1.5505 0.9210 C 0 0 0
- -1.0705 0.0958 3.5586 O 0 0 0
- 0.8895 -1.3536 -0.2697 O 0 0 0
- 1.7614 -2.6892 -0.4886 P 0 0 0
- 2.6485 -2.8960 0.6779 O 0 0 0
- 0.7767 -3.9534 -0.6447 O 0 0 0
- 2.6530 -2.5358 -1.8204 O 0 0 0
- 13.0296 0.9133 -0.2437 Na 0 3 0
- 21.4944 2.7111 -0.5834 Na 0 3 0
- -2.5136 1.5251 0.0000 H 0 0 0
- -3.7947 -1.3385 0.0000 H 0 0 0
- -3.6485 -0.4347 0.0000 H 0 0 0
- -6.2096 4.1877 0.0000 H 0 0 0
- -0.2510 0.4116 0.0000 H 0 0 0
- -1.7131 -1.4243 0.0000 H 0 0 0
- -3.4504 2.0193 0.0000 H 0 0 0
- -7.9439 3.1891 0.0000 H 0 0 0
- -0.6426 -1.9563 0.0000 H 0 0 0
- 0.4374 -2.3596 0.0000 H 0 0 0
- -0.5076 0.7560 0.0000 H 0 0 0
- 0.2436 -4.6379 0.0000 H 0 0 0
- 3.5080 -2.3887 0.0000 H 0 0 0
- 1 2 1 0
- 3 1 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 10 16 2 0
- 12 17 1 0
- 13 18 1 0
- 17 19 1 0
- 19 20 1 0
- 20 21 2 0
- 20 22 1 0
- 20 23 1 0
- 5 9 1 0
- 11 15 1 0
- 12 13 1 0
- 3 26 1 0
- 4 27 1 0
- 8 28 1 0
- 11 29 1 0
- 12 30 1 0
- 13 31 1 0
- 14 32 1 0
- 15 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 22 37 1 0
- 23 38 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-480-81-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 47 49 1 V2000
- 2.8361 -0.3136 -0.7287 C 0 0 2
- 1.9300 -1.1704 0.1195 C 0 0 1
- 4.0849 -0.1519 0.1150 N 0 0 0
- 2.2629 1.0765 -0.8603 C 0 0 0
- 2.5841 -1.3814 1.4675 C 0 0 0
- 0.6865 -1.6276 -0.2391 O 0 0 0
- 3.5253 -0.1302 1.5165 C 0 0 0
- 4.4395 1.2718 -0.1383 C 0 0 0
- 3.1527 1.9640 -0.5057 C 0 0 0
- 0.8742 1.3988 -1.3486 C 0 0 0
- -0.4793 -1.2213 0.3072 C 0 0 0
- -0.0994 1.0610 -0.3268 O 0 0 0
- -1.7500 -1.7823 -0.1710 C 0 0 0
- -0.4775 -0.3915 1.1951 O 0 0 0
- -1.3496 1.5450 -0.4091 C 0 0 0
- -3.0498 -1.3300 0.4434 C 0 0 0
- -1.7534 -2.6891 -1.1451 C 0 0 0
- -2.3679 1.1829 0.6411 C 0 0 2
- -1.6576 2.2707 -1.3247 O 0 0 0
- -3.2891 0.1183 0.1021 C 0 0 0
- -0.7836 -3.8419 -1.1048 C 0 0 0
- -3.1832 2.4238 1.0104 C 0 0 0
- -1.6988 0.6891 1.8032 O 0 0 0
- -4.2980 0.4523 -0.6638 C 0 0 0
- 3.2516 -1.1891 0.0000 H 0 0 0
- 1.4195 -0.3468 0.0000 H 0 0 0
- 2.1863 -2.2650 0.0000 H 0 0 0
- 3.4182 -1.8746 0.0000 H 0 0 0
- 3.7564 0.8109 0.0000 H 0 0 0
- 2.6497 0.2851 0.0000 H 0 0 0
- 5.3571 0.9603 0.0000 H 0 0 0
- 4.8261 2.1604 0.0000 H 0 0 0
- 3.0124 2.9228 0.0000 H 0 0 0
- 1.3925 2.2176 0.0000 H 0 0 0
- 0.2723 2.1582 0.0000 H 0 0 0
- -4.0188 -1.3276 0.0000 H 0 0 0
- -3.2125 -2.2853 0.0000 H 0 0 0
- -2.6644 -3.0194 0.0000 H 0 0 0
- -1.5251 -4.4657 0.0000 H 0 0 0
- -0.1598 -4.5834 0.0000 H 0 0 0
- -0.0421 -3.2181 0.0000 H 0 0 0
- -2.3733 2.9559 0.0000 H 0 0 0
- -3.7153 3.2337 0.0000 H 0 0 0
- -3.9931 1.8917 0.0000 H 0 0 0
- -0.9191 0.1137 0.0000 H 0 0 0
- -4.4942 1.4013 0.0000 H 0 0 0
- -5.0217 -0.1921 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 6 11 1 0
- 10 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 1 0
- 13 16 1 0
- 13 17 2 0
- 15 18 1 0
- 15 19 2 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 20 24 2 0
- 5 7 1 0
- 8 9 1 0
- 18 20 1 0
- 1 25 1 0
- 2 26 1 0
- 5 27 1 0
- 5 28 1 0
- 7 29 1 0
- 7 30 1 0
- 8 31 1 0
- 8 32 1 0
- 9 33 1 0
- 10 34 1 0
- 10 35 1 0
- 16 36 1 0
- 16 37 1 0
- 17 38 1 0
- 21 39 1 0
- 21 40 1 0
- 21 41 1 0
- 22 42 1 0
- 22 43 1 0
- 22 44 1 0
- 23 45 1 0
- 24 46 1 0
- 24 47 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-4801-39-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 23 22 1 V2000
- -2.5850 -0.9993 0.0998 C 0 0 0
- -3.5940 -0.0301 0.1137 N 0 0 0
- -1.5080 -0.8950 0.9700 C 0 0 0
- -2.6614 -2.0710 -0.7805 C 0 0 0
- -3.2805 1.2713 -0.0430 C 0 0 0
- -0.5134 -1.8535 0.9537 C 0 0 0
- -1.6640 -3.0259 -0.7918 C 0 0 0
- -4.3476 2.3259 0.0993 C 0 0 0
- -2.1396 1.5938 -0.2986 O 0 0 0
- -0.5896 -2.9160 0.0723 C 0 0 0
- -3.7562 3.6532 -0.1160 N 0 0 0
- 9.6805 0.6145 -0.0607 Cl 0 0 0
- -4.5576 -0.3120 0.0000 H 0 0 0
- -1.1777 0.0531 0.0000 H 0 0 0
- -3.5982 -2.4322 0.0000 H 0 0 0
- 0.4240 -1.4941 0.0000 H 0 0 0
- -1.9901 -3.9754 0.0000 H 0 0 0
- -5.2091 2.8415 0.0000 H 0 0 0
- -4.9627 1.5324 0.0000 H 0 0 0
- 0.1310 -3.6151 0.0000 H 0 0 0
- -2.7577 3.7579 0.0000 H 0 0 0
- -4.3461 4.4656 0.0000 H 0 0 0
- 10.6845 0.6145 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 2 0
- 5 8 1 0
- 5 9 2 0
- 6 10 2 0
- 8 11 1 0
- 7 10 1 0
- 2 13 1 0
- 3 14 1 0
- 4 15 1 0
- 6 16 1 0
- 7 17 1 0
- 8 18 1 0
- 8 19 1 0
- 10 20 1 0
- 11 21 1 0
- 11 22 1 0
- 12 23 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-491-36-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- -0.4744 0.8955 -0.0026 C 0 0 0
- -0.0830 -0.4620 -0.0014 C 0 0 0
- 0.4834 1.8562 -0.0018 N 0 0 0
- -1.8333 1.2155 0.0011 C 0 0 0
- 1.3558 -0.7655 0.0007 C 0 0 0
- -1.0479 -1.4667 -0.0018 C 0 0 0
- 1.7469 1.5576 0.0002 C 0 0 0
- -2.7713 0.2073 0.0058 C 0 0 0
- 2.2133 0.2816 0.0014 N 0 0 0
- 1.7599 -1.9138 0.0014 O 0 0 0
- -2.3831 -1.1257 -0.0034 C 0 0 0
- -2.1338 2.2040 0.0000 H 0 0 0
- -0.7646 -2.4603 0.0000 H 0 0 0
- 2.4330 2.3301 0.0000 H 0 0 0
- -3.7766 0.4458 0.0000 H 0 0 0
- 3.2319 0.1090 0.0000 H 0 0 0
- -3.1014 -1.8683 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 9 1 0
- 8 11 2 0
- 4 12 1 0
- 6 13 1 0
- 7 14 1 0
- 8 15 1 0
- 9 16 1 0
- 11 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-4914-30-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 77 1 V2000
- -2.4299 1.2606 -0.3233 C 0 0 1
- -3.6754 0.4198 -0.2332 C 0 0 0
- -2.3181 2.1665 0.8240 N 0 0 0
- -1.2043 0.3391 -0.3414 C 0 0 0
- -4.7339 0.7736 0.5769 C 0 0 0
- -3.7482 -0.7403 -0.9915 C 0 0 0
- -1.2569 3.1278 0.4974 C 0 0 0
- -3.5681 2.9360 0.8863 C 0 0 0
- 0.0454 1.1700 -0.2346 C 0 0 0
- -5.8650 -0.0240 0.6356 C 0 0 0
- -4.6831 2.0298 1.4102 C 0 0 0
- -4.8746 -1.5413 -0.9378 C 0 0 0
- 0.0144 2.4142 0.1424 C 0 0 0
- 1.3725 0.5417 -0.5741 C 0 0 0
- -5.9414 -1.1818 -0.1190 C 0 0 0
- -4.9399 -2.6767 -1.6834 O 0 0 0
- 1.3135 3.1733 0.2266 C 0 0 0
- 1.9732 -0.0917 0.6824 C 0 0 2
- -7.0525 -1.9638 -0.0609 O 0 0 0
- -3.7102 -2.7679 -2.4057 C 0 0 0
- 1.5250 3.9669 -1.0643 C 0 0 0
- 3.4184 -0.4315 0.4313 C 0 0 0
- 1.2112 -1.2913 1.0363 N 0 0 0
- -7.9527 -1.3350 0.8536 C 0 0 0
- 3.9833 -1.5884 0.9271 C 0 0 0
- 4.1894 0.4467 -0.3159 C 0 0 0
- 1.8780 -1.8848 2.2040 C 0 0 0
- 5.3168 -1.8726 0.6808 C 0 0 0
- 3.1687 -2.5625 1.7408 C 0 0 0
- 5.5212 0.1680 -0.5661 C 0 0 0
- 6.0898 -0.9992 -0.0643 C 0 0 0
- 6.2729 1.0324 -1.2992 O 0 0 0
- 7.3985 -1.2799 -0.3046 O 0 0 0
- 5.4172 2.1174 -1.6634 C 0 0 0
- 7.6774 -2.5276 0.3337 C 0 0 0
- -3.2601 1.7695 0.0000 H 0 0 0
- -1.8736 -0.3682 0.0000 H 0 0 0
- -0.5771 -0.4057 0.0000 H 0 0 0
- -2.8973 -1.2137 0.0000 H 0 0 0
- -0.6917 3.9207 0.0000 H 0 0 0
- -1.9845 3.7750 0.0000 H 0 0 0
- -2.9680 3.7029 0.0000 H 0 0 0
- -4.2630 3.6182 0.0000 H 0 0 0
- -6.7142 0.4524 0.0000 H 0 0 0
- -5.0992 2.9102 0.0000 H 0 0 0
- -5.6373 1.8358 0.0000 H 0 0 0
- 2.2843 0.8834 0.0000 H 0 0 0
- 1.4132 1.5146 0.0000 H 0 0 0
- 1.5692 2.2337 0.0000 H 0 0 0
- 2.2872 3.1759 0.0000 H 0 0 0
- 2.4582 0.7527 0.0000 H 0 0 0
- -3.7822 -3.7390 0.0000 H 0 0 0
- -2.7391 -2.8399 0.0000 H 0 0 0
- -3.6382 -1.7968 0.0000 H 0 0 0
- 2.4659 3.7161 0.0000 H 0 0 0
- 1.7758 4.9078 0.0000 H 0 0 0
- 0.5841 4.2177 0.0000 H 0 0 0
- 0.2468 -1.4260 0.0000 H 0 0 0
- -7.3951 -0.5367 0.0000 H 0 0 0
- -8.7510 -0.7774 0.0000 H 0 0 0
- -8.5103 -2.1333 0.0000 H 0 0 0
- 3.8812 1.3704 0.0000 H 0 0 0
- 0.9816 -2.2650 0.0000 H 0 0 0
- 1.8379 -2.8577 0.0000 H 0 0 0
- 5.6214 -2.7975 0.0000 H 0 0 0
- 2.6560 -3.3904 0.0000 H 0 0 0
- 3.9581 -3.1326 0.0000 H 0 0 0
- 6.1818 2.7204 0.0000 H 0 0 0
- 4.8142 2.8820 0.0000 H 0 0 0
- 4.6526 1.5144 0.0000 H 0 0 0
- 6.7271 -2.7400 0.0000 H 0 0 0
- 7.8898 -3.4779 0.0000 H 0 0 0
- 8.6277 -2.3152 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 10 15 2 0
- 12 16 1 0
- 13 17 1 0
- 18 14 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 18 22 1 0
- 18 23 1 0
- 19 24 1 0
- 22 25 2 0
- 22 26 1 0
- 23 27 1 0
- 25 28 1 0
- 25 29 1 0
- 26 30 2 0
- 28 31 2 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 33 35 1 0
- 8 11 1 0
- 9 13 2 0
- 12 15 1 0
- 27 29 1 0
- 30 31 1 0
- 1 36 1 0
- 4 37 1 0
- 4 38 1 0
- 6 39 1 0
- 7 40 1 0
- 7 41 1 0
- 8 42 1 0
- 8 43 1 0
- 10 44 1 0
- 11 45 1 0
- 11 46 1 0
- 14 47 1 0
- 14 48 1 0
- 17 49 1 0
- 17 50 1 0
- 18 51 1 0
- 20 52 1 0
- 20 53 1 0
- 20 54 1 0
- 21 55 1 0
- 21 56 1 0
- 21 57 1 0
- 23 58 1 0
- 24 59 1 0
- 24 60 1 0
- 24 61 1 0
- 26 62 1 0
- 27 63 1 0
- 27 64 1 0
- 28 65 1 0
- 29 66 1 0
- 29 67 1 0
- 34 68 1 0
- 34 69 1 0
- 34 70 1 0
- 35 71 1 0
- 35 72 1 0
- 35 73 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-50-63-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 64 63 1 V2000
- -10.7486 1.5967 0.1556 C 0 0 0
- -11.9717 2.0060 -0.4269 C 0 0 0
- -10.5298 0.2182 0.3907 C 0 0 0
- -9.7837 2.5561 0.4929 C 0 0 0
- -12.8982 1.0944 -0.7452 N 0 0 0
- -12.1921 3.3738 -0.6616 C 0 0 0
- -11.5344 -0.6678 0.0348 C 0 0 0
- -9.3476 -0.2317 0.9586 N 0 0 0
- -10.0328 3.8743 0.2566 C 0 0 0
- -12.7068 -0.1866 -0.5316 C 0 0 0
- -11.2317 4.2806 -0.3273 C 0 0 0
- -9.3835 -1.0525 2.1715 C 0 0 0
- -11.5107 5.9687 -0.6207 Cl 0 0 0
- -8.2947 -2.1246 2.0942 C 0 0 0
- -9.1404 -0.1660 3.3946 C 0 0 0
- -8.5378 -3.0110 0.8710 C 0 0 0
- -7.4490 -4.0831 0.7937 C 0 0 0
- -7.6824 -4.9342 -0.3807 N 0 0 0
- -6.6084 -5.9363 -0.3959 C 0 0 0
- -8.9346 -5.6612 -0.1330 C 0 0 0
- -5.8285 -5.8282 -1.7078 C 0 0 0
- -9.8161 -5.5990 -1.3820 C 0 0 0
- 9.1158 -0.1723 -0.8740 P 0 0 0
- 8.0579 0.6112 0.0529 O 0 0 0
- 10.2460 -0.8464 0.0535 O 0 0 0
- 8.3526 -1.3182 -1.7086 O 0 0 0
- 9.7508 0.7807 -1.8116 O 0 0 0
- 21.7106 0.6484 0.4591 P 0 0 0
- 20.6527 1.4319 1.3860 O 0 0 0
- 22.8407 -0.0257 1.3866 O 0 0 0
- 20.9474 -0.4975 -0.3755 O 0 0 0
- 22.3456 1.6014 -0.4785 O 0 0 0
- -8.8410 2.2637 0.0000 H 0 0 0
- -13.1267 3.6910 0.0000 H 0 0 0
- -11.3707 -1.6411 0.0000 H 0 0 0
- -8.5230 0.3106 0.0000 H 0 0 0
- -9.2878 4.5217 0.0000 H 0 0 0
- -13.4836 -0.7955 0.0000 H 0 0 0
- -10.3020 -1.4137 0.0000 H 0 0 0
- -7.4008 -2.5429 0.0000 H 0 0 0
- -7.7312 -1.3143 0.0000 H 0 0 0
- -8.1886 -0.4270 0.0000 H 0 0 0
- -8.8794 0.7858 0.0000 H 0 0 0
- -10.0922 0.0950 0.0000 H 0 0 0
- -9.4317 -2.5927 0.0000 H 0 0 0
- -9.1013 -3.8213 0.0000 H 0 0 0
- -6.5551 -4.5014 0.0000 H 0 0 0
- -6.8855 -3.2728 0.0000 H 0 0 0
- -7.4271 -6.4875 0.0000 H 0 0 0
- -6.2560 -6.8582 0.0000 H 0 0 0
- -9.3146 -6.5721 0.0000 H 0 0 0
- -8.1926 -6.3120 0.0000 H 0 0 0
- -5.6930 -6.8058 0.0000 H 0 0 0
- -4.8509 -5.6927 0.0000 H 0 0 0
- -5.9640 -4.8506 0.0000 H 0 0 0
- -9.7466 -4.6145 0.0000 H 0 0 0
- -10.8006 -5.5295 0.0000 H 0 0 0
- -9.8856 -6.5835 0.0000 H 0 0 0
- 7.2648 1.1986 0.0000 H 0 0 0
- 11.0937 -1.3520 0.0000 H 0 0 0
- 7.8055 -2.1397 0.0000 H 0 0 0
- 19.8596 2.0193 0.0000 H 0 0 0
- 23.6883 -0.5313 0.0000 H 0 0 0
- 20.4003 -1.3190 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 2 0
- 8 12 1 0
- 11 13 1 0
- 12 14 1 0
- 12 15 1 0
- 14 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 23 24 1 0
- 23 25 1 0
- 23 26 1 0
- 23 27 2 0
- 28 29 1 0
- 28 30 1 0
- 28 31 1 0
- 28 32 2 0
- 7 10 1 0
- 9 11 1 0
- 4 33 1 0
- 6 34 1 0
- 7 35 1 0
- 8 36 1 0
- 9 37 1 0
- 10 38 1 0
- 12 39 1 0
- 14 40 1 0
- 14 41 1 0
- 15 42 1 0
- 15 43 1 0
- 15 44 1 0
- 16 45 1 0
- 16 46 1 0
- 17 47 1 0
- 17 48 1 0
- 19 49 1 0
- 19 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 21 55 1 0
- 22 56 1 0
- 22 57 1 0
- 22 58 1 0
- 24 59 1 0
- 25 60 1 0
- 26 61 1 0
- 29 62 1 0
- 30 63 1 0
- 31 64 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-514-10-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 52 54 1 V2000
- 2.1108 0.3691 -1.0184 C 0 0 1
- 1.2318 1.4024 -0.2998 C 0 0 1
- 2.4703 -0.7476 -0.0392 C 0 0 1
- 1.3512 -0.1910 -2.2167 C 0 0 0
- 0.0321 0.6714 0.3113 C 0 0 2
- 2.0556 2.0176 0.8406 C 0 0 0
- 0.7613 2.4799 -1.2788 C 0 0 0
- 3.2678 -0.1555 1.1261 C 0 0 0
- 1.2085 -1.3832 0.4853 C 0 0 0
- 3.3168 -1.8024 -0.7547 C 0 0 0
- -0.0399 -0.5899 -1.8254 C 0 0 0
- -0.6287 -0.2056 -0.7128 C 0 0 0
- -0.9487 1.6811 0.8905 C 0 0 0
- 2.4333 0.9143 1.8314 C 0 0 0
- 0.9750 -1.4207 1.8066 O 0 0 0
- 0.4070 -1.8590 -0.2836 O 0 0 0
- -2.0193 -0.6494 -0.4351 C 0 0 0
- -2.2725 1.7020 0.1412 C 0 0 0
- -2.8442 0.3130 0.0046 C 0 0 0
- -4.2816 0.0184 0.3480 C 0 0 0
- -4.9967 -0.5386 -0.8846 C 0 0 0
- -4.3352 -1.0121 1.4777 C 0 0 0
- 2.9113 0.8149 0.0000 H 0 0 0
- 1.2364 -1.1000 0.0000 H 0 0 0
- 2.1415 -0.6546 0.0000 H 0 0 0
- 0.6473 -0.0076 0.0000 H 0 0 0
- 2.8870 2.4026 0.0000 H 0 0 0
- 1.5864 2.8046 0.0000 H 0 0 0
- 1.6010 2.8466 0.0000 H 0 0 0
- 0.3946 3.3196 0.0000 H 0 0 0
- -0.0784 2.1132 0.0000 H 0 0 0
- 3.8198 -0.8868 0.0000 H 0 0 0
- 3.9947 0.4023 0.0000 H 0 0 0
- 2.6022 -2.3759 0.0000 H 0 0 0
- 3.8903 -2.5170 0.0000 H 0 0 0
- 4.0314 -1.2289 0.0000 H 0 0 0
- -0.1764 -1.4959 0.0000 H 0 0 0
- -0.1485 2.1273 0.0000 H 0 0 0
- -1.1722 2.5697 0.0000 H 0 0 0
- 1.5202 0.9902 0.0000 H 0 0 0
- 1.9976 0.1083 0.0000 H 0 0 0
- 0.0704 -1.5660 0.0000 H 0 0 0
- -2.2695 -1.5308 0.0000 H 0 0 0
- -2.1440 2.6092 0.0000 H 0 0 0
- -3.1566 1.9425 0.0000 H 0 0 0
- -4.6652 0.8505 0.0000 H 0 0 0
- -5.5597 0.1842 0.0000 H 0 0 0
- -5.7195 -1.1016 0.0000 H 0 0 0
- -4.4337 -1.2614 0.0000 H 0 0 0
- -5.2502 -0.9645 0.0000 H 0 0 0
- -4.3828 -1.9271 0.0000 H 0 0 0
- -3.4202 -1.0597 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 9 15 1 0
- 9 16 2 0
- 12 17 1 0
- 13 18 1 0
- 17 19 2 0
- 19 20 1 0
- 20 21 1 0
- 20 22 1 0
- 8 14 1 0
- 11 12 2 0
- 18 19 1 0
- 1 23 1 0
- 4 24 1 0
- 4 25 1 0
- 5 26 1 0
- 6 27 1 0
- 6 28 1 0
- 7 29 1 0
- 7 30 1 0
- 7 31 1 0
- 8 32 1 0
- 8 33 1 0
- 10 34 1 0
- 10 35 1 0
- 10 36 1 0
- 11 37 1 0
- 13 38 1 0
- 13 39 1 0
- 14 40 1 0
- 14 41 1 0
- 15 42 1 0
- 17 43 1 0
- 18 44 1 0
- 18 45 1 0
- 20 46 1 0
- 21 47 1 0
- 21 48 1 0
- 21 49 1 0
- 22 50 1 0
- 22 51 1 0
- 22 52 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-518-47-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 41 1 V2000
- -2.3278 0.4146 -0.3520 C 0 0 0
- -3.0463 1.4630 0.4335 C 0 0 0
- -1.1273 -0.0922 0.4034 C 0 0 0
- -3.2373 -0.7496 -0.6459 C 0 0 0
- -1.9050 1.0429 -1.5944 O 0 0 0
- -3.0188 2.6320 -0.3514 C 0 0 0
- -3.6543 1.4353 1.6684 C 0 0 0
- -1.2088 -1.2824 1.1070 C 0 0 0
- 0.0468 0.6368 0.3815 C 0 0 0
- -3.1571 -1.8973 0.1253 C 0 0 0
- -4.1421 -0.6592 -1.6867 C 0 0 0
- -2.3051 2.3311 -1.5921 C 0 0 0
- -3.6146 3.8124 0.1015 C 0 0 0
- -4.2443 2.6167 2.1082 C 0 0 0
- -2.3309 -2.0196 1.1791 O 0 0 0
- -0.0792 -1.7398 1.7869 C 0 0 0
- 1.1609 0.1832 1.0599 C 0 0 0
- -3.9916 -2.9728 -0.1817 C 0 0 0
- -4.9726 -1.7226 -1.9817 C 0 0 0
- -2.1024 3.1249 -2.4889 O 0 0 0
- -4.2247 3.7680 1.3458 C 0 0 0
- 1.0959 -1.0113 1.7636 C 0 0 0
- -4.8924 -2.8848 -1.2272 C 0 0 0
- 2.1890 -1.4658 2.4310 O 0 0 0
- -5.7002 -3.9386 -1.5169 O 0 0 0
- 12.4393 0.2148 0.1000 Na 0 3 0
- 21.0271 -0.1850 -0.9439 Na 0 3 0
- -4.1087 0.6617 0.0000 H 0 0 0
- -0.0289 1.5308 0.0000 H 0 0 0
- -4.4949 0.1657 0.0000 H 0 0 0
- -3.1724 4.5931 0.0000 H 0 0 0
- -5.1193 2.4182 0.0000 H 0 0 0
- -0.0029 -2.6338 0.0000 H 0 0 0
- 1.9187 0.6635 0.0000 H 0 0 0
- -3.6366 -3.7968 0.0000 H 0 0 0
- -5.8305 -1.4600 0.0000 H 0 0 0
- -4.8765 4.3845 0.0000 H 0 0 0
- 3.0174 -1.8103 0.0000 H 0 0 0
- -6.2460 -4.6507 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 2 0
- 3 9 1 0
- 4 10 2 0
- 4 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 1 0
- 8 16 1 0
- 9 17 2 0
- 10 18 1 0
- 11 19 2 0
- 12 20 2 0
- 13 21 2 0
- 16 22 2 0
- 18 23 2 0
- 22 24 1 0
- 23 25 1 0
- 6 12 1 0
- 10 15 1 0
- 14 21 1 0
- 17 22 1 0
- 19 23 1 0
- 7 28 1 0
- 9 29 1 0
- 11 30 1 0
- 13 31 1 0
- 14 32 1 0
- 16 33 1 0
- 17 34 1 0
- 18 35 1 0
- 19 36 1 0
- 21 37 1 0
- 24 38 1 0
- 25 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-528-53-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 35 36 1 V2000
- -1.7234 -0.4456 -0.1731 C 0 0 0
- -2.8950 0.4350 -0.0555 C 0 0 0
- -0.6816 -0.2687 0.6526 O 0 3 0
- -1.7183 -1.4533 -1.1377 C 0 0 0
- -3.9486 0.0907 0.8000 C 0 0 0
- -2.9573 1.6223 -0.7943 C 0 0 0
- 0.4111 -1.0546 0.5772 C 0 0 0
- -0.6173 -2.2870 -1.2541 C 0 0 0
- -2.7888 -1.6171 -1.9596 O 0 0 0
- -5.0477 0.9203 0.9078 C 0 0 0
- -4.0598 2.4472 -0.6813 C 0 0 0
- 0.4733 -2.0870 -0.3842 C 0 0 0
- 1.4804 -0.8583 1.4382 C 0 0 0
- -5.1087 2.0986 0.1665 C 0 0 0
- -6.0717 0.5866 1.7382 O 0 0 0
- -4.1210 3.6012 -1.3983 O 0 0 0
- 1.6186 -2.9065 -0.4607 C 0 0 0
- 2.5995 -1.6706 1.3532 C 0 0 0
- -6.1914 2.9123 0.2751 O 0 0 0
- 2.6683 -2.6905 0.4063 C 0 0 0
- 1.6865 -3.9009 -1.3811 O 0 0 0
- 3.6404 -1.4700 2.2005 O 0 0 0
- 12.9345 2.7265 -0.2975 Cl 0 0 0
- -4.0855 -0.7294 0.0000 H 0 0 0
- -2.2238 2.0139 0.0000 H 0 0 0
- -0.8096 -3.0959 0.0000 H 0 0 0
- -3.6107 -1.7429 0.0000 H 0 0 0
- 1.6644 -0.0475 0.0000 H 0 0 0
- -6.8622 0.3290 0.0000 H 0 0 0
- -4.1650 4.4315 0.0000 H 0 0 0
- -6.8561 3.4118 0.0000 H 0 0 0
- 3.3301 -3.1939 0.0000 H 0 0 0
- 1.7431 -4.7304 0.0000 H 0 0 0
- 4.4568 -1.3127 0.0000 H 0 0 0
- 13.7660 2.7265 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 7 13 1 0
- 10 14 1 0
- 10 15 1 0
- 11 16 1 0
- 12 17 1 0
- 13 18 2 0
- 14 19 1 0
- 17 20 2 0
- 17 21 1 0
- 18 22 1 0
- 8 12 2 0
- 11 14 2 0
- 18 20 1 0
- 5 24 1 0
- 6 25 1 0
- 8 26 1 0
- 9 27 1 0
- 13 28 1 0
- 15 29 1 0
- 16 30 1 0
- 19 31 1 0
- 20 32 1 0
- 21 33 1 0
- 22 34 1 0
- 23 35 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-531-85-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 29 1 V2000
- -4.4871 -0.6481 0.0232 C 0 0 0
- -5.5768 0.3575 -0.0143 C 0 0 0
- -3.3790 -0.4464 0.8450 C 0 0 0
- -4.5721 -1.7988 -0.7588 C 0 0 0
- -6.1882 0.6797 -1.2253 C 0 0 0
- -5.9951 0.9776 1.1619 C 0 0 0
- -2.3674 -1.3822 0.8782 C 0 0 0
- -3.5579 -2.7323 -0.7225 C 0 0 0
- -7.2007 1.6146 -1.2578 C 0 0 0
- -7.0083 1.9122 1.1247 C 0 0 0
- -2.4515 -2.5265 0.0931 C 0 0 0
- -7.6124 2.2361 -0.0843 C 0 0 0
- -1.4257 -3.4730 0.1283 N 0 0 0
- -8.6381 3.1827 -0.1196 N 0 0 0
- 7.9903 -0.5654 0.1232 Cl 0 0 0
- 16.4484 1.2752 -0.1480 Cl 0 0 0
- -3.1372 0.3845 0.0000 H 0 0 0
- -5.3769 -2.1170 0.0000 H 0 0 0
- -6.6877 -0.0270 0.0000 H 0 0 0
- -5.3386 1.5414 0.0000 H 0 0 0
- -1.5623 -1.0649 0.0000 H 0 0 0
- -3.7971 -3.5640 0.0000 H 0 0 0
- -7.8597 1.0537 0.0000 H 0 0 0
- -6.5065 2.6172 0.0000 H 0 0 0
- -1.6159 -4.3172 0.0000 H 0 0 0
- -0.5995 -3.2156 0.0000 H 0 0 0
- -8.4478 4.0269 0.0000 H 0 0 0
- -9.4643 2.9254 0.0000 H 0 0 0
- 8.8557 -0.5654 0.0000 H 0 0 0
- 17.3138 1.2752 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 2 0
- 4 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 1 0
- 9 12 1 0
- 11 13 1 0
- 12 14 1 0
- 8 11 2 0
- 10 12 2 0
- 3 17 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 10 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 14 28 1 0
- 15 29 1 0
- 16 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5323-95-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 54 1 V2000
- 2.4337 -1.8497 -0.8391 C 0 0 1
- 1.2048 -0.9715 -0.5956 C 0 0 0
- 3.5625 -1.4189 0.0996 C 0 0 0
- 2.1001 -3.2162 -0.5872 O 0 0 0
- 0.0930 -1.3958 -1.5203 C 0 0 0
- 4.7914 -2.2972 -0.1439 C 0 0 0
- -1.0459 -1.8143 -1.0264 C 0 0 0
- 5.9202 -1.8664 0.7949 C 0 0 0
- -1.8674 -0.9038 -0.1505 C 0 0 0
- 7.1491 -2.7446 0.5513 C 0 0 0
- -3.2999 -0.8390 -0.6841 C 0 0 0
- 8.2779 -2.3139 1.4901 C 0 0 0
- -4.1340 0.0854 0.2051 C 0 0 0
- 9.5068 -3.1921 1.2466 C 0 0 0
- -5.5664 0.1503 -0.3285 C 0 0 0
- -6.4005 1.0747 0.5607 C 0 0 0
- -7.8330 1.1395 0.0271 C 0 0 0
- -8.6671 2.0639 0.9163 C 0 0 0
- -10.0780 2.1277 0.3908 C 0 0 0
- -10.3888 1.4905 -0.6063 O 0 0 0
- -10.9127 2.8168 0.9612 O 0 0 0
- 16.4731 7.0587 -0.3578 Na 0 3 0
- 3.1340 -2.4674 0.0000 H 0 0 0
- 1.8848 -0.3315 0.0000 H 0 0 0
- 0.7089 -0.1802 0.0000 H 0 0 0
- 4.2425 -0.7789 0.0000 H 0 0 0
- 3.0666 -0.6276 0.0000 H 0 0 0
- 1.8786 -4.1234 0.0000 H 0 0 0
- 0.4205 -2.2703 0.0000 H 0 0 0
- 4.1114 -2.9372 0.0000 H 0 0 0
- 5.2873 -3.0885 0.0000 H 0 0 0
- -1.2700 -2.7208 0.0000 H 0 0 0
- 6.6002 -1.2264 0.0000 H 0 0 0
- 5.4243 -1.0751 0.0000 H 0 0 0
- -1.0367 -0.4773 0.0000 H 0 0 0
- -2.0662 0.0086 0.0000 H 0 0 0
- 6.4691 -3.3846 0.0000 H 0 0 0
- 7.6450 -3.5359 0.0000 H 0 0 0
- -4.1306 -1.2655 0.0000 H 0 0 0
- -3.1011 -1.7514 0.0000 H 0 0 0
- 8.9579 -1.6739 0.0000 H 0 0 0
- 7.7820 -1.5226 0.0000 H 0 0 0
- -3.3033 0.5119 0.0000 H 0 0 0
- -4.3328 0.9978 0.0000 H 0 0 0
- 8.9639 -3.9519 0.0000 H 0 0 0
- 10.2666 -3.7350 0.0000 H 0 0 0
- 10.0497 -2.4323 0.0000 H 0 0 0
- -6.3971 -0.2762 0.0000 H 0 0 0
- -5.3676 -0.7621 0.0000 H 0 0 0
- -5.5698 1.5012 0.0000 H 0 0 0
- -6.5993 1.9871 0.0000 H 0 0 0
- -8.6637 0.7130 0.0000 H 0 0 0
- -7.6342 0.2271 0.0000 H 0 0 0
- -7.8364 2.4904 0.0000 H 0 0 0
- -8.8659 2.9763 0.0000 H 0 0 0
- -11.6328 3.4113 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 15 16 1 0
- 16 17 1 0
- 17 18 1 0
- 18 19 1 0
- 19 20 2 0
- 19 21 1 0
- 1 23 1 0
- 2 24 1 0
- 2 25 1 0
- 3 26 1 0
- 3 27 1 0
- 4 28 1 0
- 5 29 1 0
- 6 30 1 0
- 6 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 10 37 1 0
- 10 38 1 0
- 11 39 1 0
- 11 40 1 0
- 12 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 14 46 1 0
- 14 47 1 0
- 15 48 1 0
- 15 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 21 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-535-83-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 18 1 V2000
- -0.4411 0.1537 0.0032 C 0 0 0
- 0.5522 -0.8343 0.0028 C 0 0 0
- -0.0520 1.5041 0.0007 C 0 0 0
- -1.8603 -0.2144 0.0002 C 0 0 0
- 1.8251 -0.5013 0.0002 N 0 3 0
- 1.2995 1.7955 -0.0020 C 0 0 0
- -2.7985 0.7390 0.0006 O 0 0 0
- -2.2169 -1.5037 -0.0031 O 0 0 0
- 2.2171 0.7594 -0.0022 C 0 0 0
- 2.8372 -1.5605 0.0003 C 0 0 0
- 0.2821 -1.8360 0.0000 H 0 0 0
- -0.7602 2.2623 0.0000 H 0 0 0
- 1.6227 2.7813 0.0000 H 0 0 0
- 3.2314 0.9774 0.0000 H 0 0 0
- 2.0871 -2.2772 0.0000 H 0 0 0
- 3.5539 -2.3106 0.0000 H 0 0 0
- 3.5873 -0.8438 0.0000 H 0 0 0
- -2.4935 -2.5036 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 3 6 1 0
- 4 7 2 0
- 4 8 1 0
- 5 9 1 0
- 5 10 1 0
- 6 9 2 0
- 2 11 1 0
- 3 12 1 0
- 6 13 1 0
- 9 14 1 0
- 10 15 1 0
- 10 16 1 0
- 10 17 1 0
- 8 18 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-53956-04-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-124129 1 V2000
- -2.8886 0.5786 0.3926 C 0 0 1
- -3.7648 1.8184 0.3945 C 0 0 2
- -1.4716 0.7978 0.9016 C 0 0 2
- -3.6163 -0.5316 1.1098 C 0 0 0
- -5.0834 1.5322 -0.3374 C 0 0 1
- -3.0670 3.0081 -0.2621 C 0 0 0
- -4.1615 2.2259 1.8170 C 0 0 0
- -0.8613 1.9718 0.1410 C 0 0 1
- -0.6206 -0.4487 0.5759 C 0 0 0
- -1.4218 1.0049 2.4107 C 0 0 0
- -5.0505 -0.6719 0.8188 C 0 0 0
- -3.0784 -1.3007 1.8811 O 0 0 0
- -5.7207 0.2679 0.1453 C 0 0 0
- -6.0133 2.7300 -0.1199 C 0 0 0
- -4.7824 1.4282 -1.8286 C 0 0 0
- -1.7005 3.2270 0.4035 C 0 0 0
- 0.6116 2.2215 0.3758 C 0 0 0
- 0.7777 -0.1858 1.1510 C 0 0 0
- -7.1955 -0.0064 -0.1021 C 0 0 1
- -7.4043 2.4112 -0.6720 C 0 0 0
- 1.4390 0.9419 0.3704 C 0 0 2
- 1.1268 3.0979 -0.7938 C 0 0 0
- 0.8651 3.0108 1.6623 C 0 0 0
- -8.0001 1.2648 0.1468 C 0 0 1
- -7.3766 -0.5152 -1.5260 C 0 0 0
- 2.7385 1.2044 0.9051 O 0 0 0
- -9.4672 1.0604 -0.2235 C 0 0 0
- -7.9215 1.6267 1.6352 C 0 0 0
- -8.8463 -0.6794 -1.8943 C 0 0 2
- 3.6825 0.6426 -0.0089 C 0 0 2
- -9.5796 0.6490 -1.6915 C 0 0 0
- -9.4837 -1.7438 -1.0394 C 0 0 0
- -8.9576 -1.0896 -3.3676 C 0 0 0
- 4.7110 -0.1854 0.7648 C 0 0 2
- 4.3405 1.6912 -0.7172 O 0 0 0
- -10.7810 -2.0477 -1.2021 O 0 0 0
- -8.8271 -2.3239 -0.2073 O 0 0 0
- 4.0472 -1.2471 1.4533 O 0 0 0
- 5.4179 0.7191 1.7807 C 0 0 2
- 4.8583 2.6051 0.2477 C 0 0 1
- 4.5405 -2.4694 0.9014 C 0 0 2
- 5.9831 1.9378 1.0424 C 0 0 1
- 6.4864 -0.0018 2.3977 O 0 0 0
- 5.3950 3.8259 -0.4541 C 0 0 0
- 4.2504 -2.5119 -0.4945 O 0 0 0
- 3.8735 -3.6530 1.6057 C 0 0 1
- 6.5117 2.8665 1.9912 O 0 0 0
- 5.5045 3.8372 -1.7919 O 0 0 0
- 5.7267 4.7946 0.1874 O 0 0 0
- 4.9141 -3.6511 -1.0387 C 0 0 1
- 4.4366 -4.9579 1.0313 C 0 0 2
- 4.1496 -3.5910 3.0064 O 0 0 0
- 4.2776 -4.9315 -0.4931 C 0 0 2
- 4.7952 -3.6317 -2.5409 C 0 0 0
- 3.7109 -6.0664 1.5667 O 0 0 0
- 4.9327 -6.0680 -1.0601 O 0 0 0
- 3.9809 -2.7476 -3.1383 O 0 0 0
- 5.4329 -4.4120 -3.2075 O 0 0 0
- 18.4933 5.5930 -4.6631 N 0 0 0
- -2.3547 -0.2506 0.0000 H 0 0 0
- -2.9971 3.9918 0.0000 H 0 0 0
- -4.0090 3.3002 0.0000 H 0 0 0
- -3.4548 2.9138 0.0000 H 0 0 0
- -4.8494 2.9326 0.0000 H 0 0 0
- -4.8682 1.5380 0.0000 H 0 0 0
- -0.2805 1.1747 0.0000 H 0 0 0
- -1.5037 -0.8877 0.0000 H 0 0 0
- -0.3070 -1.3837 0.0000 H 0 0 0
- -0.4629 0.7743 0.0000 H 0 0 0
- -1.1912 1.9638 0.0000 H 0 0 0
- -2.3807 1.2355 0.0000 H 0 0 0
- -5.4588 -1.5696 0.0000 H 0 0 0
- -5.1551 3.2159 0.0000 H 0 0 0
- -6.3702 3.6494 0.0000 H 0 0 0
- -5.1045 0.4961 0.0000 H 0 0 0
- -3.8503 1.1061 0.0000 H 0 0 0
- -4.4603 2.3603 0.0000 H 0 0 0
- -0.8107 3.6523 0.0000 H 0 0 0
- -1.9941 4.1685 0.0000 H 0 0 0
- 0.7256 -1.1706 0.0000 H 0 0 0
- 1.7223 -0.4693 0.0000 H 0 0 0
- -8.1756 -0.1158 0.0000 H 0 0 0
- -7.3949 3.3974 0.0000 H 0 0 0
- -8.3612 2.6499 0.0000 H 0 0 0
- 2.0119 0.1392 0.0000 H 0 0 0
- 1.9770 2.5981 0.0000 H 0 0 0
- 1.6266 3.9481 0.0000 H 0 0 0
- 0.2766 3.5977 0.0000 H 0 0 0
- 1.8041 2.7092 0.0000 H 0 0 0
- 1.1667 3.9498 0.0000 H 0 0 0
- -0.0739 3.3124 0.0000 H 0 0 0
- -7.4158 -1.5006 0.0000 H 0 0 0
- -6.4083 -0.7023 0.0000 H 0 0 0
- -9.4705 2.0466 0.0000 H 0 0 0
- -10.4449 1.1899 0.0000 H 0 0 0
- -6.9578 1.4174 0.0000 H 0 0 0
- -7.7122 2.5904 0.0000 H 0 0 0
- -8.8852 1.8360 0.0000 H 0 0 0
- 3.1197 -0.1673 0.0000 H 0 0 0
- -10.4289 1.1503 0.0000 H 0 0 0
- -10.2869 -0.0382 0.0000 H 0 0 0
- -9.9094 -0.8314 0.0000 H 0 0 0
- -9.2158 -2.0414 0.0000 H 0 0 0
- -8.0058 -1.3478 0.0000 H 0 0 0
- 5.5187 -0.7512 0.0000 H 0 0 0
- -11.7412 -2.2726 0.0000 H 0 0 0
- 4.5765 1.2336 0.0000 H 0 0 0
- 3.9767 3.0472 0.0000 H 0 0 0
- 5.5246 -2.5333 0.0000 H 0 0 0
- 6.8597 1.4860 0.0000 H 0 0 0
- 7.3039 -0.5534 0.0000 H 0 0 0
- 2.8887 -3.6009 0.0000 H 0 0 0
- 6.9995 3.7236 0.0000 H 0 0 0
- 6.4855 3.9384 0.0000 H 0 0 0
- 5.8998 -3.6185 0.0000 H 0 0 0
- 5.4191 -5.0427 0.0000 H 0 0 0
- 5.1118 -3.3749 0.0000 H 0 0 0
- 3.2919 -4.9619 0.0000 H 0 0 0
- 3.1707 -6.8915 0.0000 H 0 0 0
- 5.4252 -6.9224 0.0000 H 0 0 0
- 3.3128 -2.0222 0.0000 H 0 0 0
- 18.0002 6.4471 0.0000 H 0 0 0
- 18.0002 4.7389 0.0000 H 0 0 0
- 19.4795 5.5930 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 2 0
- 5 13 1 0
- 5 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 9 18 1 0
- 13 19 1 0
- 14 20 1 0
- 17 21 1 0
- 17 22 1 0
- 17 23 1 0
- 19 24 1 0
- 19 25 1 0
- 21 26 1 0
- 24 27 1 0
- 24 28 1 0
- 25 29 1 0
- 26 30 1 0
- 27 31 1 0
- 29 32 1 0
- 29 33 1 0
- 30 34 1 0
- 30 35 1 0
- 32 36 1 0
- 32 37 2 0
- 34 38 1 0
- 34 39 1 0
- 35 40 1 0
- 38 41 1 0
- 39 42 1 0
- 39 43 1 0
- 40 44 1 0
- 41 45 1 0
- 41 46 1 0
- 42 47 1 0
- 44 48 1 0
- 44 49 2 0
- 45 50 1 0
- 46 51 1 0
- 46 52 1 0
- 50 53 1 0
- 50 54 1 0
- 51 55 1 0
- 53 56 1 0
- 54 57 1 0
- 54 58 2 0
- 8 16 1 0
- 11 13 2 0
- 18 21 1 0
- 20 24 1 0
- 29 31 1 0
- 40 42 1 0
- 51 53 1 0
- 1 60 1 0
- 6 61 1 0
- 6 62 1 0
- 7 63 1 0
- 7 64 1 0
- 7 65 1 0
- 8 66 1 0
- 9 67 1 0
- 9 68 1 0
- 10 69 1 0
- 10 70 1 0
- 10 71 1 0
- 11 72 1 0
- 14 73 1 0
- 14 74 1 0
- 15 75 1 0
- 15 76 1 0
- 15 77 1 0
- 16 78 1 0
- 16 79 1 0
- 18 80 1 0
- 18 81 1 0
- 19 82 1 0
- 20 83 1 0
- 20 84 1 0
- 21 85 1 0
- 22 86 1 0
- 22 87 1 0
- 22 88 1 0
- 23 89 1 0
- 23 90 1 0
- 23 91 1 0
- 25 92 1 0
- 25 93 1 0
- 27 94 1 0
- 27 95 1 0
- 28 96 1 0
- 28 97 1 0
- 28 98 1 0
- 30 99 1 0
- 31100 1 0
- 31101 1 0
- 33102 1 0
- 33103 1 0
- 33104 1 0
- 34105 1 0
- 36106 1 0
- 39107 1 0
- 40108 1 0
- 41109 1 0
- 42110 1 0
- 43111 1 0
- 46112 1 0
- 47113 1 0
- 48114 1 0
- 50115 1 0
- 51116 1 0
- 52117 1 0
- 53118 1 0
- 55119 1 0
- 56120 1 0
- 57121 1 0
- 59122 1 0
- 59123 1 0
- 59124 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54-21-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 16 1 V2000
- -1.4989 0.1525 -0.0867 C 0 0 0
- -2.3974 -0.8854 0.2252 C 0 0 0
- -0.1726 -0.1596 -0.4227 C 0 0 0
- -1.9454 1.5437 -0.0666 C 0 0 0
- -1.9579 -2.2012 0.1957 C 0 0 0
- -3.6813 -0.6016 0.5522 O 0 0 0
- 0.2370 -1.4620 -0.4451 C 0 0 0
- -2.6821 2.0249 -1.0756 O 0 0 0
- -1.6177 2.3372 0.9608 O 0 0 0
- -0.6487 -2.4844 -0.1377 C 0 0 0
- 9.9342 0.2541 0.0811 Na 0 3 0
- 0.5204 0.5864 0.0000 H 0 0 0
- -2.6375 -2.9594 0.0000 H 0 0 0
- -4.6755 -0.3818 0.0000 H 0 0 0
- 1.2340 -1.6689 0.0000 H 0 0 0
- -0.3265 -3.4503 0.0000 H 0 0 0
- -1.2290 3.2783 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 2 0
- 4 9 1 0
- 5 10 2 0
- 7 10 1 0
- 3 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 10 16 1 0
- 9 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5418-93-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 18 1 V2000
- 0.9188 0.8768 -0.0027 C 0 0 0
- 0.6202 -0.4955 -0.0002 C 0 0 0
- 2.3014 0.9702 -0.0023 N 0 0 0
- -0.1076 1.8091 0.0001 C 0 0 0
- 1.8043 -1.1625 0.0016 N 0 0 0
- -0.7143 -0.9092 0.0004 C 0 0 0
- 2.7931 -0.3036 0.0004 C 0 0 0
- -1.4205 1.3855 0.0053 C 0 0 0
- -1.7219 0.0306 -0.0014 C 0 0 0
- 4.1314 -0.6362 0.0009 N 0 0 0
- -3.3800 -0.4835 -0.0006 Cl 0 0 0
- 2.8588 1.8446 0.0000 H 0 0 0
- 0.1113 2.8227 0.0000 H 0 0 0
- -0.9457 -1.9200 0.0000 H 0 0 0
- -2.1871 2.0838 0.0000 H 0 0 0
- 4.4180 -1.6328 0.0000 H 0 0 0
- 4.8512 0.1103 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 9 11 1 0
- 5 7 2 0
- 8 9 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-54556-98-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 59 1 V2000
- -0.9408 -1.1874 0.5011 C 0 0 0
- -1.8113 -1.8769 -0.5177 C 0 0 0
- 0.3941 -0.8609 -0.1173 C 0 0 0
- -1.6093 0.0850 0.9542 C 0 0 0
- -0.7474 -2.0498 1.6241 O 0 0 0
- -2.3726 -3.1063 -0.2283 C 0 0 0
- -2.0529 -1.2771 -1.7397 C 0 0 0
- 1.2692 -0.0124 0.5351 C 0 0 0
- 0.7458 -1.4141 -1.3341 C 0 0 0
- -1.8915 1.0487 0.0635 O 0 0 0
- -1.8911 0.2376 2.1191 O 0 0 0
- 0.2130 -3.0319 1.2300 C 0 0 0
- -3.1711 -3.7389 -1.1630 C 0 0 0
- -2.8513 -1.9094 -2.6741 C 0 0 0
- 2.4935 0.2870 -0.0321 C 0 0 0
- 1.9705 -1.1146 -1.9015 C 0 0 0
- -2.5356 2.2746 0.5000 C 0 0 0
- 0.4669 -3.9924 2.3936 C 0 0 0
- -3.4081 -3.1419 -2.3868 C 0 0 0
- 2.8430 -0.2618 -1.2519 C 0 0 0
- -2.0983 3.4311 -0.4045 C 0 0 0
- -4.0560 2.1152 0.4028 C 0 0 0
- 1.4952 -5.0439 1.9717 C 0 0 0
- -2.8693 4.6938 -0.0147 C 0 0 0
- -4.7247 3.4467 0.7505 C 0 0 0
- -4.3071 4.4765 -0.2068 N 0 0 0
- -4.9790 5.7206 0.1916 C 0 0 0
- 13.0936 1.9348 -0.1677 Cl 0 0 0
- -1.6426 -3.6782 0.0000 H 0 0 0
- -1.8154 -0.3807 0.0000 H 0 0 0
- 0.8206 0.7992 0.0000 H 0 0 0
- 0.3998 -2.2745 0.0000 H 0 0 0
- 1.1363 -3.1182 0.0000 H 0 0 0
- 0.6121 -2.1949 0.0000 H 0 0 0
- -3.4108 -4.6347 0.0000 H 0 0 0
- -3.5824 -1.3389 0.0000 H 0 0 0
- 2.8391 1.1475 0.0000 H 0 0 0
- 2.4207 -1.9253 0.0000 H 0 0 0
- -1.6100 2.3313 0.0000 H 0 0 0
- -0.4564 -3.9061 0.0000 H 0 0 0
- 0.0678 -4.8294 0.0000 H 0 0 0
- -4.3352 -3.1204 0.0000 H 0 0 0
- 3.7642 -0.3681 0.0000 H 0 0 0
- -1.3236 2.9215 0.0000 H 0 0 0
- -1.4316 4.0757 0.0000 H 0 0 0
- -4.9286 1.8015 0.0000 H 0 0 0
- -3.8493 1.2112 0.0000 H 0 0 0
- 0.8322 -5.6923 0.0000 H 0 0 0
- 2.1436 -5.7069 0.0000 H 0 0 0
- 2.1582 -4.3955 0.0000 H 0 0 0
- -2.0209 5.0681 0.0000 H 0 0 0
- -3.1280 5.5843 0.0000 H 0 0 0
- -5.4766 3.9895 0.0000 H 0 0 0
- -5.4307 2.8454 0.0000 H 0 0 0
- -4.1631 6.1613 0.0000 H 0 0 0
- -5.4197 6.5365 0.0000 H 0 0 0
- -5.7949 5.2799 0.0000 H 0 0 0
- 14.0209 1.9348 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 2 0
- 4 10 1 0
- 4 11 2 0
- 5 12 1 0
- 6 13 1 0
- 7 14 2 0
- 8 15 2 0
- 9 16 1 0
- 10 17 1 0
- 12 18 1 0
- 13 19 2 0
- 15 20 1 0
- 17 21 1 0
- 17 22 1 0
- 18 23 1 0
- 21 24 1 0
- 22 25 1 0
- 24 26 1 0
- 26 27 1 0
- 14 19 1 0
- 16 20 2 0
- 25 26 1 0
- 6 29 1 0
- 7 30 1 0
- 8 31 1 0
- 9 32 1 0
- 12 33 1 0
- 12 34 1 0
- 13 35 1 0
- 14 36 1 0
- 15 37 1 0
- 16 38 1 0
- 17 39 1 0
- 18 40 1 0
- 18 41 1 0
- 19 42 1 0
- 20 43 1 0
- 21 44 1 0
- 21 45 1 0
- 22 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 23 50 1 0
- 24 51 1 0
- 24 52 1 0
- 25 53 1 0
- 25 54 1 0
- 27 55 1 0
- 27 56 1 0
- 27 57 1 0
- 28 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-5461-85-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 24 23 1 V2000
- 0.7336 -0.4281 -0.3698 N 0 0 0
- -0.5165 0.1682 -0.3168 C 0 0 0
- 1.9029 0.3565 -0.7739 C 0 0 0
- 0.8683 -1.6727 -0.0583 N 0 0 0
- -1.5825 -0.5166 0.2163 N 0 0 0
- -0.6809 1.3754 -0.7713 N 0 0 0
- 2.8489 0.5130 0.4183 C 0 0 0
- 1.9669 -2.1967 -0.1050 O 0 0 0
- -2.8682 0.0376 0.1635 N 0 3 0
- 4.1768 1.1048 -0.0585 C 0 0 0
- 2.2163 1.4468 1.4522 C 0 0 0
- -3.0658 1.0581 -0.4713 O 0 0 0
- -3.7882 -0.5011 0.7525 O 0 5 0
- 2.1026 1.2610 0.0000 H 0 0 0
- 1.1376 0.8784 0.0000 H 0 0 0
- -1.5066 -1.4398 0.0000 H 0 0 0
- -0.8059 2.2933 0.0000 H 0 0 0
- 3.1152 -0.3742 0.0000 H 0 0 0
- 4.5539 0.2587 0.0000 H 0 0 0
- 5.0229 1.4819 0.0000 H 0 0 0
- 3.7997 1.9509 0.0000 H 0 0 0
- 2.9832 1.9663 0.0000 H 0 0 0
- 1.6968 2.2137 0.0000 H 0 0 0
- 1.4494 0.9273 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 1 0
- 7 11 1 0
- 9 12 2 0
- 9 13 1 0
- 3 14 1 0
- 3 15 1 0
- 5 16 1 0
- 6 17 1 0
- 7 18 1 0
- 10 19 1 0
- 10 20 1 0
- 10 21 1 0
- 11 22 1 0
- 11 23 1 0
- 11 24 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-548-42-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 36 39 1 V2000
- -1.5481 0.0853 0.0953 C 0 0 0
- -0.6144 -0.9233 0.3579 C 0 0 0
- -1.2833 1.5244 0.1159 C 0 0 0
- -2.8964 -0.1079 -0.2262 C 0 0 0
- 0.7632 -0.4588 0.7082 C 0 0 2
- -1.0878 -2.1922 0.2646 C 0 0 0
- 0.1182 2.0001 0.4174 C 0 0 0
- -2.4391 2.1020 -0.1712 C 0 0 0
- -3.4178 1.1414 -0.3784 N 0 0 0
- -3.3522 -1.4226 -0.3080 C 0 0 0
- 1.0740 0.8703 0.0171 C 0 0 1
- 1.8023 -1.4720 0.3217 C 0 0 0
- -2.4225 -2.4249 -0.0654 C 0 0 0
- 2.4634 1.2402 0.3009 N 0 0 0
- 2.9385 -1.1095 -0.2023 C 0 0 0
- 3.3048 0.3197 -0.4719 C 0 0 0
- 2.6685 2.5787 -0.2685 C 0 0 0
- 3.9368 -2.1818 -0.5554 C 0 0 0
- 0.0020 0.2329 0.0000 H 0 0 0
- -0.4306 -2.9834 0.0000 H 0 0 0
- 0.9801 2.5613 0.0000 H 0 0 0
- -0.3312 2.9252 0.0000 H 0 0 0
- -2.5992 3.1180 0.0000 H 0 0 0
- -4.4259 1.3454 0.0000 H 0 0 0
- -4.3587 -1.6340 0.0000 H 0 0 0
- 0.0740 0.6296 0.0000 H 0 0 0
- 1.5658 -2.4730 0.0000 H 0 0 0
- -2.7511 -3.3995 0.0000 H 0 0 0
- 4.2336 -0.1221 0.0000 H 0 0 0
- 3.9167 1.1464 0.0000 H 0 0 0
- 3.6851 2.4229 0.0000 H 0 0 0
- 2.8243 3.5953 0.0000 H 0 0 0
- 1.6519 2.7345 0.0000 H 0 0 0
- 3.1840 -2.8826 0.0000 H 0 0 0
- 4.6376 -2.9346 0.0000 H 0 0 0
- 4.6896 -1.4810 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 11 14 1 0
- 12 15 2 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 15 16 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 13 28 1 0
- 16 29 1 0
- 16 30 1 0
- 17 31 1 0
- 17 32 1 0
- 17 33 1 0
- 18 34 1 0
- 18 35 1 0
- 18 36 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-55-55-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 42 1 V2000
- -14.0848 0.1542 -0.4443 S 0 0 0
- -14.9926 -0.9784 0.0136 O 0 0 0
- -12.8167 -0.4762 -1.0020 O 0 0 0
- -14.7408 0.7496 -1.5553 O 0 0 0
- -13.6895 0.8346 0.7389 O 0 0 0
- -1.6857 0.7680 0.8370 C 0 0 0
- -2.5137 -0.2651 1.2547 C 0 0 0
- -0.4463 0.4814 0.2797 C 0 0 0
- -2.1020 2.0972 0.9721 N 0 0 0
- -2.1043 -1.5770 1.1157 C 0 0 0
- -0.0386 -0.8306 0.1415 C 0 0 0
- -1.2279 3.1870 0.5312 C 0 0 0
- -0.8666 -1.8623 0.5591 C 0 0 0
- -0.4641 -3.1543 0.4230 O 0 0 0
- 12.6773 1.0970 -0.1361 C 0 0 0
- 11.8490 0.0636 0.2817 C 0 0 0
- 13.9163 0.8105 -0.6932 C 0 0 0
- 12.2609 2.4262 -0.0010 N 0 0 0
- 12.2583 -1.2479 0.1428 C 0 0 0
- 14.3241 -0.5020 -0.8315 C 0 0 0
- 13.1351 3.5161 -0.4419 C 0 0 0
- 13.4964 -1.5333 -0.4140 C 0 0 0
- 13.8989 -2.8253 -0.5500 O 0 0 0
- -15.6274 -1.7703 0.0000 H 0 0 0
- -11.9079 -0.9280 0.0000 H 0 0 0
- -3.5110 -0.0768 0.0000 H 0 0 0
- 0.2443 1.2251 0.0000 H 0 0 0
- -3.0994 2.2851 0.0000 H 0 0 0
- -2.7942 -2.3214 0.0000 H 0 0 0
- 0.9585 -1.0198 0.0000 H 0 0 0
- -0.4362 2.5520 0.0000 H 0 0 0
- -0.5929 3.9787 0.0000 H 0 0 0
- -2.0196 3.8220 0.0000 H 0 0 0
- -0.1622 -4.1233 0.0000 H 0 0 0
- 10.8517 0.2519 0.0000 H 0 0 0
- 14.6069 1.5542 0.0000 H 0 0 0
- 11.2635 2.6141 0.0000 H 0 0 0
- 11.5684 -1.9923 0.0000 H 0 0 0
- 15.3212 -0.6912 0.0000 H 0 0 0
- 13.9268 2.8811 0.0000 H 0 0 0
- 13.7701 4.3078 0.0000 H 0 0 0
- 12.3434 4.1511 0.0000 H 0 0 0
- 14.2008 -3.7943 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 1 5 2 0
- 6 7 2 0
- 6 8 1 0
- 6 9 1 0
- 7 10 1 0
- 8 11 2 0
- 9 12 1 0
- 10 13 2 0
- 13 14 1 0
- 15 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 17 20 1 0
- 18 21 1 0
- 19 22 1 0
- 22 23 1 0
- 11 13 1 0
- 20 22 2 0
- 2 24 1 0
- 3 25 1 0
- 7 26 1 0
- 8 27 1 0
- 9 28 1 0
- 10 29 1 0
- 11 30 1 0
- 12 31 1 0
- 12 32 1 0
- 12 33 1 0
- 14 34 1 0
- 16 35 1 0
- 17 36 1 0
- 18 37 1 0
- 19 38 1 0
- 20 39 1 0
- 21 40 1 0
- 21 41 1 0
- 21 42 1 0
- 23 43 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5550-12-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 40 1 V2000
- -0.1306 -2.0967 0.0779 C 0 0 0
- -1.1463 -1.2103 0.3136 N 0 0 0
- 0.8408 -1.8420 1.0528 C 0 0 0
- 0.0722 -3.0650 -0.8230 N 0 0 0
- -2.3900 -1.0942 -0.4519 C 0 0 2
- -0.7892 -0.4548 1.3927 C 0 0 0
- 0.3795 -0.8285 1.8252 N 0 0 0
- 2.0211 -2.6217 1.0523 C 0 0 0
- 1.1742 -3.7813 -0.8140 C 0 0 0
- -2.8750 0.2642 -0.3792 O 0 0 0
- -3.4907 -1.9430 0.2221 C 0 0 1
- 2.1574 -3.5790 0.1082 N 0 0 0
- 2.8940 -2.4343 1.8825 O 0 0 0
- 1.3378 -4.7641 -1.7576 N 0 0 0
- -4.2876 0.1798 -0.6679 C 0 0 1
- -4.7678 -1.0856 0.0768 C 0 0 1
- -3.6548 -3.1674 -0.4961 O 0 0 0
- -4.9991 1.4083 -0.0973 C 0 0 0
- -5.7193 -1.7814 -0.7311 O 0 0 0
- -4.4899 2.5874 -0.7237 O 0 0 0
- -5.2785 3.8343 -0.0791 P 0 0 0
- -6.7285 3.6872 -0.3361 O 0 0 0
- -5.0161 3.8722 1.5089 O 0 0 0
- -4.7519 5.2034 -0.7428 O 0 0 0
- 13.4407 1.1307 -0.3108 Na 0 3 0
- 21.8659 3.1342 -0.3302 Na 0 3 0
- -2.1257 -2.0067 0.0000 H 0 0 0
- -1.1678 0.4166 0.0000 H 0 0 0
- -2.6679 -2.4180 0.0000 H 0 0 0
- 2.9343 -4.1258 0.0000 H 0 0 0
- 0.6042 -5.3678 0.0000 H 0 0 0
- 2.2274 -5.0976 0.0000 H 0 0 0
- -5.2345 0.1028 0.0000 H 0 0 0
- -5.5235 -0.5099 0.0000 H 0 0 0
- -3.7810 -4.1090 0.0000 H 0 0 0
- -5.7721 1.9606 0.0000 H 0 0 0
- -5.7022 0.7693 0.0000 H 0 0 0
- -6.4862 -2.3422 0.0000 H 0 0 0
- -4.0758 4.0080 0.0000 H 0 0 0
- -4.4108 6.0901 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 5 2 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 5 11 1 0
- 8 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 11 16 1 0
- 11 17 1 0
- 15 18 1 0
- 16 19 1 0
- 18 20 1 0
- 20 21 1 0
- 21 22 2 0
- 21 23 1 0
- 21 24 1 0
- 6 7 2 0
- 9 12 1 0
- 15 16 1 0
- 5 27 1 0
- 6 28 1 0
- 11 29 1 0
- 12 30 1 0
- 14 31 1 0
- 14 32 1 0
- 15 33 1 0
- 16 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 19 38 1 0
- 23 39 1 0
- 24 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-569-26-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 38 41 1 V2000
- -1.5804 0.0735 0.0930 C 0 0 0
- -0.6387 -0.9405 0.2793 C 0 0 0
- -1.3085 1.5099 0.1452 C 0 0 0
- -2.9412 -0.1062 -0.1808 C 0 0 0
- 0.7675 -0.5069 0.5669 C 0 0 2
- -1.1214 -2.2072 0.1776 C 0 0 0
- 0.1024 1.9672 0.4125 C 0 0 0
- -2.4727 2.0994 -0.0790 C 0 0 0
- -3.4630 1.1484 -0.2756 N 0 0 0
- -3.4042 -1.4169 -0.2835 C 0 0 0
- 1.0600 0.8595 -0.0536 C 0 0 1
- 1.7401 -1.5448 -0.0050 C 0 0 0
- -2.4715 -2.4273 -0.0915 C 0 0 0
- 2.4348 1.2672 0.2624 N 0 0 0
- 3.1767 -1.0648 0.2182 C 0 0 2
- 3.3395 0.3247 -0.4024 C 0 0 0
- 2.6444 2.5743 -0.3745 C 0 0 0
- 4.1494 -2.0388 -0.4498 C 0 0 0
- 1.7675 -0.2290 0.0000 H 0 0 0
- -0.4654 -3.0115 0.0000 H 0 0 0
- 0.9707 2.5357 0.0000 H 0 0 0
- -0.3458 2.9033 0.0000 H 0 0 0
- -2.6260 3.1259 0.0000 H 0 0 0
- -4.4790 1.3604 0.0000 H 0 0 0
- -4.4208 -1.6261 0.0000 H 0 0 0
- 0.0546 0.6017 0.0000 H 0 0 0
- 0.8891 -2.1389 0.0000 H 0 0 0
- 2.2064 -2.4720 0.0000 H 0 0 0
- -2.8097 -3.4085 0.0000 H 0 0 0
- 4.1572 -0.7245 0.0000 H 0 0 0
- 4.3157 -0.0276 0.0000 H 0 0 0
- 3.9049 1.1950 0.0000 H 0 0 0
- 3.6692 2.4100 0.0000 H 0 0 0
- 2.8087 3.5991 0.0000 H 0 0 0
- 1.6196 2.7386 0.0000 H 0 0 0
- 3.4150 -2.7722 0.0000 H 0 0 0
- 4.8828 -2.7732 0.0000 H 0 0 0
- 4.8838 -1.3054 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 11 14 1 0
- 12 15 1 0
- 14 16 1 0
- 14 17 1 0
- 15 18 1 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 15 16 1 0
- 5 19 1 0
- 6 20 1 0
- 7 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 10 25 1 0
- 11 26 1 0
- 12 27 1 0
- 12 28 1 0
- 13 29 1 0
- 15 30 1 0
- 16 31 1 0
- 16 32 1 0
- 17 33 1 0
- 17 34 1 0
- 17 35 1 0
- 18 36 1 0
- 18 37 1 0
- 18 38 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-57-47-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 41 43 1 V2000
- 1.7749 -0.8789 -0.4939 C 0 0 1
- 0.5251 -0.0372 -0.3642 C 0 0 0
- 2.9207 0.1457 -0.2622 C 0 0 1
- 1.8864 -1.8065 0.7406 C 0 0 0
- 1.8731 -1.6132 -1.8326 C 0 0 0
- 0.8772 1.1784 0.2075 C 0 0 0
- -0.7873 -0.2946 -0.7067 C 0 0 0
- 2.2467 1.2184 0.5006 N 0 0 0
- 3.8991 -0.5057 0.6298 N 0 0 0
- 3.4201 -1.8665 0.9496 C 0 0 0
- -0.1084 2.1416 0.4198 C 0 0 0
- -1.7640 0.6654 -0.4894 C 0 0 0
- 2.7538 2.4929 -0.0252 C 0 0 0
- 5.1366 -0.6650 -0.1455 C 0 0 0
- -1.4180 1.8852 0.0734 C 0 0 0
- -3.0569 0.4122 -0.8278 O 0 0 0
- -3.8690 -0.2192 0.0411 C 0 0 0
- -5.1154 -0.5693 -0.3338 N 0 0 0
- -3.4782 -0.4734 1.1633 O 0 0 0
- -5.9989 -1.2562 0.6115 C 0 0 0
- 3.6224 0.8291 0.0000 H 0 0 0
- 0.9090 -1.8718 0.0000 H 0 0 0
- 1.8999 -2.7859 0.0000 H 0 0 0
- 0.9022 -1.7430 0.0000 H 0 0 0
- 2.0029 -2.5841 0.0000 H 0 0 0
- 2.8440 -1.4834 0.0000 H 0 0 0
- -1.0689 -1.2328 0.0000 H 0 0 0
- 3.2845 -2.8366 0.0000 H 0 0 0
- 4.3719 -2.0981 0.0000 H 0 0 0
- 0.1720 3.0802 0.0000 H 0 0 0
- 3.6639 2.1308 0.0000 H 0 0 0
- 3.1159 3.4030 0.0000 H 0 0 0
- 1.8437 2.8550 0.0000 H 0 0 0
- 5.0115 -1.6365 0.0000 H 0 0 0
- 6.1081 -0.7901 0.0000 H 0 0 0
- 5.2617 0.3065 0.0000 H 0 0 0
- -2.0813 2.6060 0.0000 H 0 0 0
- -5.5567 0.3052 0.0000 H 0 0 0
- -6.6001 -0.4829 0.0000 H 0 0 0
- -6.7722 -1.8574 0.0000 H 0 0 0
- -5.3977 -2.0295 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 6 11 1 0
- 7 12 2 0
- 8 13 1 0
- 9 14 1 0
- 11 15 2 0
- 12 16 1 0
- 16 17 1 0
- 17 18 1 0
- 17 19 2 0
- 18 20 1 0
- 6 8 1 0
- 9 10 1 0
- 12 15 1 0
- 3 21 1 0
- 4 22 1 0
- 4 23 1 0
- 5 24 1 0
- 5 25 1 0
- 5 26 1 0
- 7 27 1 0
- 10 28 1 0
- 10 29 1 0
- 11 30 1 0
- 13 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 14 36 1 0
- 15 37 1 0
- 18 38 1 0
- 20 39 1 0
- 20 40 1 0
- 20 41 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-570-74-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 73 76 1 V2000
- -0.8456 -2.9065 -0.5295 C 0 0 0
- 0.2939 -1.8903 -0.4306 C 0 0 0
- 0.0987 -0.9939 0.8206 C 0 0 0
- 1.6095 -2.6081 -0.1445 C 0 0 0
- 0.2724 -0.9684 -1.6356 C 0 0 0
- -1.3378 -0.5024 0.8019 C 0 0 0
- 0.4503 -1.9627 1.9548 C 0 0 0
- 2.7748 -1.7627 -0.6623 C 0 0 0
- 1.6924 -2.7115 1.3989 C 0 0 0
- -1.1395 -0.3694 -1.7180 C 0 0 0
- -1.5076 0.3832 -0.4456 C 0 0 0
- -1.5832 0.3724 2.0382 C 0 0 0
- 2.9099 -0.5017 0.1937 C 0 0 0
- 4.0691 -2.5746 -0.5819 C 0 0 0
- -2.9596 0.8345 -0.5469 C 0 0 0
- -2.9031 1.0727 1.9128 C 0 0 0
- 4.0753 0.3437 -0.3241 C 0 0 0
- -3.0257 2.0364 -1.4913 C 0 0 0
- -3.5151 1.2508 0.7881 C 0 0 0
- -3.8391 -0.2743 -1.1195 C 0 0 0
- 4.2103 1.6047 0.5319 C 0 0 0
- -4.8843 1.9110 0.7756 C 0 0 0
- -5.2695 -0.1289 -0.6018 C 0 0 0
- 5.3757 2.4501 0.0141 C 0 0 0
- -5.6445 1.3384 -0.4293 C 0 0 0
- 5.1116 2.8465 -1.4399 C 0 0 0
- 5.5107 3.7111 0.8700 C 0 0 0
- -1.5154 -2.1555 0.0000 H 0 0 0
- -1.5966 -3.5763 0.0000 H 0 0 0
- -0.1758 -3.6575 0.0000 H 0 0 0
- 0.8037 -0.2758 0.0000 H 0 0 0
- 0.9634 -3.3796 0.0000 H 0 0 0
- 1.2717 -1.0871 0.0000 H 0 0 0
- 0.5308 0.0042 0.0000 H 0 0 0
- -2.0691 -1.1937 0.0000 H 0 0 0
- -0.5547 -2.0143 0.0000 H 0 0 0
- 0.2056 -2.9388 0.0000 H 0 0 0
- 1.9040 -1.2584 0.0000 H 0 0 0
- 1.5556 -3.7085 0.0000 H 0 0 0
- 2.6623 -2.4434 0.0000 H 0 0 0
- -2.1314 -0.5392 0.0000 H 0 0 0
- -1.2558 -1.3690 0.0000 H 0 0 0
- -0.8527 1.1472 0.0000 H 0 0 0
- -0.5771 0.3922 0.0000 H 0 0 0
- -1.3498 1.3513 0.0000 H 0 0 0
- 2.5340 0.4318 0.0000 H 0 0 0
- 1.9132 -0.6402 0.0000 H 0 0 0
- 3.5344 -3.4271 0.0000 H 0 0 0
- 4.9216 -3.1093 0.0000 H 0 0 0
- 4.6038 -1.7221 0.0000 H 0 0 0
- -2.5247 2.0052 0.0000 H 0 0 0
- 4.4512 -0.5898 0.0000 H 0 0 0
- 5.0720 0.4822 0.0000 H 0 0 0
- -2.0209 2.0917 0.0000 H 0 0 0
- -3.0810 3.0412 0.0000 H 0 0 0
- -4.0305 1.9811 0.0000 H 0 0 0
- -4.1279 -1.2383 0.0000 H 0 0 0
- -2.9469 -0.7397 0.0000 H 0 0 0
- 3.8344 2.5382 0.0000 H 0 0 0
- 3.2136 1.4662 0.0000 H 0 0 0
- -4.3095 2.7370 0.0000 H 0 0 0
- -5.6091 2.6091 0.0000 H 0 0 0
- -6.2669 -0.2624 0.0000 H 0 0 0
- -5.2535 -1.1351 0.0000 H 0 0 0
- 6.2465 1.9458 0.0000 H 0 0 0
- -6.1391 2.2148 0.0000 H 0 0 0
- -6.5783 0.9633 0.0000 H 0 0 0
- 5.9491 3.4045 0.0000 H 0 0 0
- 4.5536 3.6840 0.0000 H 0 0 0
- 4.2741 2.2885 0.0000 H 0 0 0
- 6.5113 3.6040 0.0000 H 0 0 0
- 5.6178 4.7117 0.0000 H 0 0 0
- 4.5101 3.8182 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 1 0
- 9 4 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 1 0
- 13 8 1 0
- 14 8 1 0
- 15 11 1 0
- 16 12 1 0
- 17 13 1 0
- 18 15 1 0
- 19 15 1 0
- 20 15 1 0
- 21 17 1 0
- 22 19 1 0
- 23 20 1 0
- 24 21 1 0
- 25 22 1 0
- 26 24 1 0
- 27 24 1 0
- 7 9 1 0
- 10 11 1 0
- 16 19 2 0
- 23 25 1 0
- 1 28 1 0
- 1 29 1 0
- 1 30 1 0
- 3 31 1 0
- 4 32 1 0
- 5 33 1 0
- 5 34 1 0
- 6 35 1 0
- 7 36 1 0
- 7 37 1 0
- 8 38 1 0
- 9 39 1 0
- 9 40 1 0
- 10 41 1 0
- 10 42 1 0
- 11 43 1 0
- 12 44 1 0
- 12 45 1 0
- 13 46 1 0
- 13 47 1 0
- 14 48 1 0
- 14 49 1 0
- 14 50 1 0
- 16 51 1 0
- 17 52 1 0
- 17 53 1 0
- 18 54 1 0
- 18 55 1 0
- 18 56 1 0
- 20 57 1 0
- 20 58 1 0
- 21 59 1 0
- 21 60 1 0
- 22 61 1 0
- 22 62 1 0
- 23 63 1 0
- 23 64 1 0
- 24 65 1 0
- 25 66 1 0
- 25 67 1 0
- 26 68 1 0
- 26 69 1 0
- 26 70 1 0
- 27 71 1 0
- 27 72 1 0
- 27 73 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-19-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 57 1 V2000
- 0.9037 0.8825 -0.0725 C 0 0 2
- 0.0092 -0.2399 0.4740 C 0 0 1
- 2.2673 0.7260 0.5734 C 0 0 1
- 0.2898 2.2327 0.3027 C 0 0 0
- -1.3842 -0.1338 -0.1499 C 0 0 2
- 0.6008 -1.6167 0.1921 C 0 0 0
- 2.8484 -0.6249 0.0749 C 0 0 2
- 3.3417 1.7154 0.1093 C 0 0 0
- -1.0983 2.3467 -0.3283 C 0 0 0
- -1.9996 1.2242 0.1923 C 0 0 1
- -2.2602 -1.2577 0.4116 C 0 0 0
- -1.2760 -0.2774 -1.6693 C 0 0 0
- 2.0389 -1.7296 0.7252 C 0 0 0
- 4.3188 -0.5395 0.4701 C 0 0 2
- 2.7233 -0.7147 -1.4474 C 0 0 0
- 4.6642 0.9700 0.4386 C 0 0 0
- -3.3740 1.3484 -0.4775 C 0 0 0
- -3.6360 -1.2230 -0.2597 C 0 0 2
- 5.1128 -1.2300 -0.4968 O 0 0 0
- -4.2194 0.1607 -0.0779 C 0 0 0
- -4.5525 -2.2539 0.4021 C 0 0 0
- -5.3289 0.3122 0.3741 O 0 0 0
- 1.3148 -0.1124 0.0000 H 0 0 0
- -0.4208 0.7469 0.0000 H 0 0 0
- 1.9338 1.7495 0.0000 H 0 0 0
- 1.3308 2.5065 0.0000 H 0 0 0
- 0.1956 3.3050 0.0000 H 0 0 0
- -0.4436 -1.8772 0.0000 H 0 0 0
- 0.6901 -2.6894 0.0000 H 0 0 0
- 3.9651 2.5929 0.0000 H 0 0 0
- 2.5339 2.4269 0.0000 H 0 0 0
- -0.8007 3.3812 0.0000 H 0 0 0
- -2.0539 2.8422 0.0000 H 0 0 0
- -2.4208 2.2148 0.0000 H 0 0 0
- -2.5135 -2.3039 0.0000 H 0 0 0
- -1.2908 -1.7257 0.0000 H 0 0 0
- -2.1357 -0.9252 0.0000 H 0 0 0
- -0.6282 -1.1371 0.0000 H 0 0 0
- -0.4163 0.3704 0.0000 H 0 0 0
- 1.7590 -2.7690 0.0000 H 0 0 0
- 3.0092 -2.1956 0.0000 H 0 0 0
- 3.9711 -1.5582 0.0000 H 0 0 0
- 2.0956 0.1598 0.0000 H 0 0 0
- 1.8488 -1.3424 0.0000 H 0 0 0
- 3.3510 -1.5892 0.0000 H 0 0 0
- 5.6856 0.6303 0.0000 H 0 0 0
- 5.1003 1.9541 0.0000 H 0 0 0
- -3.0907 2.3869 0.0000 H 0 0 0
- -4.3468 1.8093 0.0000 H 0 0 0
- -3.2075 -2.2105 0.0000 H 0 0 0
- 5.9250 -1.9364 0.0000 H 0 0 0
- -5.3570 -1.5387 0.0000 H 0 0 0
- -5.2677 -3.0584 0.0000 H 0 0 0
- -3.7480 -2.9691 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 14 19 1 0
- 17 20 1 0
- 18 21 1 0
- 20 22 2 0
- 7 13 1 0
- 9 10 1 0
- 14 16 1 0
- 18 20 1 0
- 1 23 1 0
- 2 24 1 0
- 3 25 1 0
- 4 26 1 0
- 4 27 1 0
- 6 28 1 0
- 6 29 1 0
- 8 30 1 0
- 8 31 1 0
- 9 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 12 39 1 0
- 13 40 1 0
- 13 41 1 0
- 14 42 1 0
- 15 43 1 0
- 15 44 1 0
- 15 45 1 0
- 16 46 1 0
- 16 47 1 0
- 17 48 1 0
- 17 49 1 0
- 18 50 1 0
- 19 51 1 0
- 21 52 1 0
- 21 53 1 0
- 21 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-58-56-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 25 24 1 V2000
- -2.2907 0.6288 0.2282 C 0 0 0
- -3.0960 -0.4875 0.3889 C 0 0 0
- -1.0885 0.4836 -0.4562 C 0 0 0
- -2.7101 1.9686 0.7761 C 0 0 0
- -2.6819 -1.6989 -0.1318 C 0 0 0
- -4.4077 -0.3818 1.1233 C 0 0 0
- -0.7411 -0.7655 -0.9501 C 0 0 0
- -0.2662 1.5502 -0.6388 O 0 0 0
- -3.2730 2.7576 -0.2740 O 0 0 0
- -1.5357 -1.8026 -0.7758 N 0 0 0
- -5.0422 -1.6619 1.1515 O 0 0 0
- 0.5580 -0.9382 -1.6942 C 0 0 0
- 10.0558 -0.0783 0.4413 Cl 0 0 0
- -1.7352 1.8562 0.0000 H 0 0 0
- -2.2115 2.8139 0.0000 H 0 0 0
- -3.2881 -2.4707 0.0000 H 0 0 0
- -4.2060 0.5786 0.0000 H 0 0 0
- -5.3350 -0.0605 0.0000 H 0 0 0
- 0.3330 2.3274 0.0000 H 0 0 0
- -3.8430 3.5565 0.0000 H 0 0 0
- -5.4780 -2.5412 0.0000 H 0 0 0
- 0.4287 -1.9110 0.0000 H 0 0 0
- 1.5308 -1.0675 0.0000 H 0 0 0
- 0.6873 0.0346 0.0000 H 0 0 0
- 11.0372 -0.0783 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 6 11 1 0
- 7 12 1 0
- 7 10 2 0
- 4 14 1 0
- 4 15 1 0
- 5 16 1 0
- 6 17 1 0
- 6 18 1 0
- 8 19 1 0
- 9 20 1 0
- 11 21 1 0
- 12 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-581-64-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 28 29 1 V2000
- -2.6592 1.0317 -0.3856 C 0 0 0
- -3.3516 -0.0367 0.3611 C 0 0 0
- -1.4118 0.9261 -0.7720 N 0 0 0
- -3.4147 2.2019 -0.6670 C 0 0 0
- -2.3580 -1.4758 0.6925 S 0 3 0
- -4.6574 0.0891 0.7584 C 0 0 0
- -0.4850 0.0062 -0.6622 C 0 0 0
- -4.7003 2.2925 -0.2540 C 0 0 0
- -0.7196 -1.2784 0.0257 C 0 0 0
- -5.3413 1.2587 0.4452 C 0 0 0
- 0.8107 0.2058 -1.2094 C 0 0 0
- 0.2601 -2.2305 0.1320 C 0 0 0
- -6.6627 1.4089 0.8365 N 0 0 0
- 1.7536 -0.7574 -1.0846 C 0 0 0
- 1.5072 -1.9714 -0.4269 C 0 0 0
- 2.5142 -2.9194 -0.3320 N 0 0 0
- 11.4437 1.2907 0.4848 Cl 0 0 0
- -2.9141 3.0486 0.0000 H 0 0 0
- -5.1872 -0.7396 0.0000 H 0 0 0
- -5.1481 3.1682 0.0000 H 0 0 0
- 1.1216 1.1389 0.0000 H 0 0 0
- -0.0147 -3.1749 0.0000 H 0 0 0
- -7.0551 2.3108 0.0000 H 0 0 0
- -7.2475 0.6181 0.0000 H 0 0 0
- 2.6969 -0.4787 0.0000 H 0 0 0
- 2.2884 -3.8767 0.0000 H 0 0 0
- 3.4561 -2.6363 0.0000 H 0 0 0
- 12.4273 1.2907 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 9 12 2 0
- 10 13 1 0
- 11 14 1 0
- 12 15 1 0
- 15 16 1 0
- 7 9 1 0
- 8 10 1 0
- 14 15 2 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 11 21 1 0
- 12 22 1 0
- 13 23 1 0
- 13 24 1 0
- 14 25 1 0
- 16 26 1 0
- 16 27 1 0
- 17 28 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-5858-81-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 43 43 1 V2000
- 0.3033 1.2638 -0.4367 C 0 0 0
- -0.6922 0.4328 0.2405 C 0 0 0
- 1.5467 0.6935 -0.8105 C 0 0 0
- 0.0466 2.6086 -0.7263 C 0 0 0
- -0.3911 -0.9039 0.5018 C 0 0 0
- -1.8912 0.9550 0.6097 N 0 0 0
- 1.8078 -0.6535 -0.5294 C 0 0 0
- 2.5023 1.4964 -1.4622 C 0 0 0
- 0.9950 3.3570 -1.3592 C 0 0 0
- 0.8571 -1.4392 0.1156 C 0 0 0
- -1.2981 -1.6901 1.1279 O 0 0 0
- -2.9835 0.3375 0.3100 N 0 0 0
- 2.2199 2.8024 -1.7226 C 0 0 0
- 1.1557 -2.8425 0.3975 C 0 0 0
- -4.1918 0.9106 0.5916 C 0 0 0
- 1.6582 -3.1939 1.5874 O 0 0 0
- 0.9267 -3.7759 -0.5344 O 0 0 0
- -5.3750 0.2964 0.1724 C 0 0 0
- -4.2505 2.1111 1.3053 C 0 0 0
- -6.5908 0.8807 0.4602 C 0 0 0
- -5.3138 -1.2204 -0.7222 S 0 0 0
- -5.4733 2.6834 1.5857 C 0 0 0
- -6.6408 2.0721 1.1622 C 0 0 0
- -5.4737 -2.2471 0.2472 O 0 0 0
- -6.1403 -1.0298 -1.8623 O 0 0 0
- -3.8981 -1.3753 -1.2590 O 0 0 0
- -7.9731 2.7043 1.4722 C 0 0 0
- 13.7227 -0.0746 -0.2529 Na 0 3 0
- 22.3057 0.6026 0.6815 Na 0 3 0
- -0.8902 2.9581 0.0000 H 0 0 0
- 2.7489 -0.9910 0.0000 H 0 0 0
- 3.4483 1.1729 0.0000 H 0 0 0
- 0.8739 4.3495 0.0000 H 0 0 0
- -2.0536 -2.3450 0.0000 H 0 0 0
- 2.9978 3.4305 0.0000 H 0 0 0
- -3.4202 2.6682 0.0000 H 0 0 0
- -7.4258 0.3308 0.0000 H 0 0 0
- -5.4956 3.6830 0.0000 H 0 0 0
- -7.5445 3.6076 0.0000 H 0 0 0
- -8.8764 3.1329 0.0000 H 0 0 0
- -8.4017 1.8010 0.0000 H 0 0 0
- 0.6885 -4.7469 0.0000 H 0 0 0
- -2.9042 -1.4840 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 8 13 2 0
- 10 14 1 0
- 12 15 1 0
- 14 16 2 0
- 14 17 1 0
- 15 18 2 0
- 15 19 1 0
- 18 20 1 0
- 18 21 1 0
- 19 22 2 0
- 20 23 2 0
- 21 24 2 0
- 21 25 2 0
- 21 26 1 0
- 23 27 1 0
- 7 10 1 0
- 9 13 1 0
- 22 23 1 0
- 4 30 1 0
- 7 31 1 0
- 8 32 1 0
- 9 33 1 0
- 11 34 1 0
- 13 35 1 0
- 19 36 1 0
- 20 37 1 0
- 22 38 1 0
- 27 39 1 0
- 27 40 1 0
- 27 41 1 0
- 17 42 1 0
- 26 43 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59-88-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 18 17 1 V2000
- -3.1677 -0.4493 -0.0975 C 0 0 0
- -4.0547 0.5194 -0.5489 C 0 0 0
- -1.9700 -0.0682 0.4945 C 0 0 0
- -3.4817 -1.8035 -0.2331 N 0 0 0
- -3.7437 1.8578 -0.4081 C 0 0 0
- -1.6653 1.2715 0.6321 C 0 0 0
- -2.6082 -2.7550 0.2114 N 0 0 0
- -2.5508 2.2336 0.1815 C 0 0 0
- 8.2177 -0.0160 -0.0773 Cl 0 0 0
- -5.0054 0.2700 0.0000 H 0 0 0
- -1.2463 -0.7333 0.0000 H 0 0 0
- -4.4322 -2.0537 0.0000 H 0 0 0
- -4.4649 2.5256 0.0000 H 0 0 0
- -0.7155 1.5243 0.0000 H 0 0 0
- -2.9029 -3.6927 0.0000 H 0 0 0
- -1.6488 -2.5414 0.0000 H 0 0 0
- -2.2973 3.1832 0.0000 H 0 0 0
- 9.2006 -0.0160 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 4 7 1 0
- 5 8 2 0
- 6 8 1 0
- 2 10 1 0
- 3 11 1 0
- 4 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 9 18 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-593-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 7 1 V2000
- -5.7285 0.5850 -0.0029 C 0 0 0
- -4.8024 -0.5553 0.0028 N 0 0 0
- 3.8387 0.0212 -0.0001 Cl 0 0 0
- -4.8733 1.2796 0.0000 H 0 0 0
- -6.4231 1.4402 0.0000 H 0 0 0
- -6.5837 -0.1096 0.0000 H 0 0 0
- -5.1958 -1.5844 0.0000 H 0 0 0
- -3.7145 -0.3814 0.0000 H 0 0 0
- 4.9404 0.0212 0.0000 H 0 0 0
- 1 2 1 0
- 1 4 1 0
- 1 5 1 0
- 1 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-59708-57-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 44 1 V2000
- -4.0307 0.4010 -0.0300 C 0 0 0
- -5.1335 1.1669 0.3181 C 0 0 0
- -2.8730 0.5160 0.6725 O 0 0 0
- -4.1132 -0.4870 -1.0930 C 0 0 0
- -6.3093 1.0482 -0.3978 C 0 0 0
- -5.0492 2.1281 1.4757 C 0 0 0
- -1.9389 -0.3888 0.0803 C 0 0 0
- -5.2927 -0.6061 -1.8018 C 0 0 0
- -6.3873 0.1667 -1.4598 C 0 0 0
- -7.5079 1.8801 -0.0202 C 0 0 0
- -0.6067 -0.3085 0.8283 C 0 0 0
- 0.3935 -1.2772 0.1942 C 0 0 0
- -0.0954 1.0236 0.7490 O 0 0 0
- 1.6726 -1.2001 0.9125 N 0 0 0
- 2.5826 -2.1489 0.2571 C 0 0 0
- 3.9418 -2.1197 0.9590 C 0 0 0
- 1.9956 -3.5594 0.3409 C 0 0 0
- 2.7583 -1.7560 -1.2111 C 0 0 0
- 12.4339 1.7649 -0.4737 Cl 0 0 0
- -3.4170 -1.1777 0.0000 H 0 0 0
- -4.0723 2.0424 0.0000 H 0 0 0
- -4.9635 3.1050 0.0000 H 0 0 0
- -6.0261 2.2138 0.0000 H 0 0 0
- -2.7727 -0.9050 0.0000 H 0 0 0
- -1.6423 -1.3235 0.0000 H 0 0 0
- -5.5420 -1.5545 0.0000 H 0 0 0
- -7.2771 -0.2456 0.0000 H 0 0 0
- -6.9487 2.6857 0.0000 H 0 0 0
- -8.3135 2.4393 0.0000 H 0 0 0
- -8.0671 1.0745 0.0000 H 0 0 0
- -0.9472 -1.2282 0.0000 H 0 0 0
- -0.4403 -1.7934 0.0000 H 0 0 0
- 0.6901 -2.2119 0.0000 H 0 0 0
- 0.2560 1.9391 0.0000 H 0 0 0
- 2.0300 -0.2869 0.0000 H 0 0 0
- 3.9629 -3.1001 0.0000 H 0 0 0
- 4.9222 -2.0986 0.0000 H 0 0 0
- 3.9207 -1.1393 0.0000 H 0 0 0
- 1.0902 -3.1826 0.0000 H 0 0 0
- 1.6188 -4.4648 0.0000 H 0 0 0
- 2.9010 -3.9362 0.0000 H 0 0 0
- 3.6535 -2.1563 0.0000 H 0 0 0
- 3.1586 -0.8608 0.0000 H 0 0 0
- 1.8631 -1.3557 0.0000 H 0 0 0
- 13.4146 1.7649 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 7 11 1 0
- 11 12 1 0
- 11 13 1 0
- 12 14 1 0
- 14 15 1 0
- 15 16 1 0
- 15 17 1 0
- 15 18 1 0
- 8 9 1 0
- 4 20 1 0
- 6 21 1 0
- 6 22 1 0
- 6 23 1 0
- 7 24 1 0
- 7 25 1 0
- 8 26 1 0
- 9 27 1 0
- 10 28 1 0
- 10 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 12 33 1 0
- 13 34 1 0
- 14 35 1 0
- 16 36 1 0
- 16 37 1 0
- 16 38 1 0
- 17 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 18 43 1 0
- 18 44 1 0
- 19 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-598-57-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 8 1 V2000
- 0.4154 -0.0096 -0.0016 N 0 3 0
- -0.8067 -0.6947 -0.0011 N 0 0 0
- 0.4309 1.2083 0.0001 O 0 0 0
- 1.4624 -0.6320 0.0013 O 0 5 0
- -2.0660 0.0539 0.0014 C 0 0 0
- -0.8192 -1.6768 0.0000 H 0 0 0
- -1.5641 0.8981 0.0000 H 0 0 0
- -2.9102 0.5558 0.0000 H 0 0 0
- -2.5679 -0.7903 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 5 7 1 0
- 5 8 1 0
- 5 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60-57-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 31 1 V2000
- -0.6413 0.8053 1.2452 C 0 0 1
- -0.6473 -0.7546 1.2732 C 0 0 2
- 0.4894 1.1471 0.2257 C 0 0 1
- -1.9885 1.1856 0.5627 C 0 0 2
- 0.4802 -1.1413 0.2663 C 0 0 2
- -1.9977 -1.1488 0.6049 C 0 0 2
- 1.5204 0.0040 0.5434 C 0 0 0
- -0.0620 0.6416 -1.1125 C 0 0 0
- 1.1181 2.8364 0.2663 Cl 0 0 0
- -3.0708 0.8145 1.6213 C 0 0 2
- -2.1515 0.0003 -0.4518 C 0 0 0
- -0.0673 -0.6790 -1.0890 C 0 0 0
- 1.0787 -2.8400 0.3505 Cl 0 0 0
- -3.0768 -0.7309 1.6493 C 0 0 1
- 2.9007 -0.0221 -0.6164 Cl 0 0 0
- 2.0771 0.0339 2.2580 Cl 0 0 0
- -0.5891 1.6358 -2.4343 Cl 0 0 0
- -4.1062 0.0346 1.0199 O 0 0 0
- -0.6037 -1.7152 -2.3744 Cl 0 0 0
- -0.6502 1.7674 0.0000 H 0 0 0
- -0.6696 -1.7165 0.0000 H 0 0 0
- -2.0150 2.1474 0.0000 H 0 0 0
- -2.0388 -2.1100 0.0000 H 0 0 0
- -3.5219 1.6643 0.0000 H 0 0 0
- -2.9613 0.5198 0.0000 H 0 0 0
- -2.9632 -0.5163 0.0000 H 0 0 0
- -3.5418 -1.5732 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 3 9 1 0
- 4 10 1 0
- 4 11 1 0
- 5 12 1 0
- 5 13 1 0
- 6 14 1 0
- 7 15 1 0
- 7 16 1 0
- 8 17 1 0
- 10 18 1 0
- 12 19 1 0
- 5 7 1 0
- 6 11 1 0
- 8 12 2 0
- 10 14 1 0
- 14 18 1 0
- 1 20 1 0
- 2 21 1 0
- 4 22 1 0
- 6 23 1 0
- 10 24 1 0
- 11 25 1 0
- 11 26 1 0
- 14 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-60254-83-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 56 1 V2000
- -0.5002 0.1914 -0.0615 C 0 0 0
- -0.5225 1.5629 -0.7394 C 0 0 0
- -1.7907 -0.5319 -0.3487 C 0 0 0
- 0.6242 -0.5914 -0.5801 N 0 0 0
- 0.6811 2.3582 -0.3037 C 0 0 0
- -2.9646 0.0043 0.0398 N 0 0 0
- -1.7729 -1.5965 -0.9294 O 0 0 0
- 1.8274 -0.5242 0.0235 C 0 0 0
- 1.7904 2.4385 -1.1243 C 0 0 0
- 0.6736 3.0121 0.9144 C 0 0 0
- -4.2192 -0.6989 -0.2395 C 0 0 0
- 2.9841 -1.3295 -0.5100 C 0 0 0
- 1.9792 0.1844 0.9959 O 0 0 0
- 2.8946 3.1681 -0.7246 C 0 0 0
- 1.7775 3.7415 1.3140 C 0 0 0
- -5.2426 -0.3674 0.8485 C 0 0 0
- -4.7519 -0.2626 -1.5799 C 0 0 0
- 4.1706 -1.0847 0.3137 N 0 0 0
- 2.8893 3.8171 0.4957 C 0 0 0
- -4.8772 -1.1096 2.1355 C 0 0 0
- -4.5232 0.8516 -1.9874 O 0 0 0
- -5.4805 -1.1119 -2.3213 O 0 0 0
- 5.3324 -1.7026 0.0223 C 0 0 0
- -4.7656 -0.1086 3.2873 C 0 0 0
- -5.9634 -2.1380 2.4571 C 0 0 0
- 6.5529 -1.4508 0.8696 C 0 0 0
- 5.3956 -2.4613 -0.9218 O 0 0 0
- 7.6804 -2.2358 0.3496 N 0 0 0
- 0.2996 0.6174 0.0000 H 0 0 0
- -0.8710 2.3994 0.0000 H 0 0 0
- -1.4096 1.3780 0.0000 H 0 0 0
- 0.3771 -1.4633 0.0000 H 0 0 0
- -3.0019 0.9097 0.0000 H 0 0 0
- 2.0824 1.5806 0.0000 H 0 0 0
- -0.1270 3.4368 0.0000 H 0 0 0
- -4.1298 -1.6007 0.0000 H 0 0 0
- 2.2966 -1.9199 0.0000 H 0 0 0
- 3.3836 -2.1429 0.0000 H 0 0 0
- 3.6945 2.7421 0.0000 H 0 0 0
- 1.4874 4.6000 0.0000 H 0 0 0
- -5.1916 0.5374 0.0000 H 0 0 0
- -6.1306 -0.5479 0.0000 H 0 0 0
- 4.2994 -0.1877 0.0000 H 0 0 0
- 3.5053 4.4818 0.0000 H 0 0 0
- -4.0659 -1.5134 0.0000 H 0 0 0
- -6.0705 -1.7997 0.0000 H 0 0 0
- -3.8650 -0.2090 0.0000 H 0 0 0
- -4.6652 0.7920 0.0000 H 0 0 0
- -5.6662 -0.0082 0.0000 H 0 0 0
- -6.5864 -1.4799 0.0000 H 0 0 0
- -6.6215 -2.7610 0.0000 H 0 0 0
- -5.3404 -2.7961 0.0000 H 0 0 0
- 7.2404 -0.8604 0.0000 H 0 0 0
- 6.1534 -0.6374 0.0000 H 0 0 0
- 7.6038 -3.1388 0.0000 H 0 0 0
- 8.5007 -1.8506 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 1 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 2 0
- 8 4 1 0
- 9 5 2 0
- 10 5 1 0
- 11 6 1 0
- 12 8 1 0
- 13 8 2 0
- 14 9 1 0
- 15 10 2 0
- 16 11 1 0
- 17 11 1 0
- 18 12 1 0
- 19 14 2 0
- 20 16 1 0
- 21 17 2 0
- 22 17 1 0
- 23 18 1 0
- 24 20 1 0
- 25 20 1 0
- 26 23 1 0
- 27 23 2 0
- 28 26 1 0
- 15 19 1 0
- 1 29 1 0
- 2 30 1 0
- 2 31 1 0
- 4 32 1 0
- 6 33 1 0
- 9 34 1 0
- 10 35 1 0
- 11 36 1 0
- 12 37 1 0
- 12 38 1 0
- 14 39 1 0
- 15 40 1 0
- 16 41 1 0
- 16 42 1 0
- 18 43 1 0
- 19 44 1 0
- 20 45 1 0
- 22 46 1 0
- 24 47 1 0
- 24 48 1 0
- 24 49 1 0
- 25 50 1 0
- 25 51 1 0
- 25 52 1 0
- 26 53 1 0
- 26 54 1 0
- 28 55 1 0
- 28 56 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6028-07-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- -1.9852 -1.0148 -0.2383 C 0 0 0
- -3.0856 -0.1597 -0.4011 C 0 0 0
- -0.9852 -0.2666 0.4225 C 0 0 0
- -1.7332 -2.3519 -0.5789 C 0 0 0
- -2.7593 1.0590 0.1396 C 0 0 0
- -4.4356 -0.3959 -1.0263 C 0 0 0
- -1.4875 1.0007 0.6416 N 0 0 0
- 0.2329 -0.8643 0.7220 C 0 0 0
- -0.5313 -2.9191 -0.2777 C 0 0 0
- -3.7305 2.1625 0.1088 C 0 0 0
- -5.4558 0.5039 -0.3257 C 0 0 0
- 0.4578 -2.1826 0.3727 C 0 0 0
- -4.9722 1.8622 -0.1295 N 0 0 0
- -3.3023 3.5879 0.3453 C 0 0 0
- 1.6495 -2.7650 0.6669 O 0 0 0
- 11.0618 1.0793 -0.2537 Cl 0 0 0
- -2.5383 -2.9743 0.0000 H 0 0 0
- -5.2620 -0.9897 0.0000 H 0 0 0
- -4.0411 -1.3339 0.0000 H 0 0 0
- -0.8965 1.8291 0.0000 H 0 0 0
- 1.0480 -0.2551 0.0000 H 0 0 0
- -0.4302 -3.9317 0.0000 H 0 0 0
- -6.3636 0.9638 0.0000 H 0 0 0
- -6.0269 -0.3384 0.0000 H 0 0 0
- -2.3277 3.2951 0.0000 H 0 0 0
- -3.0095 4.5625 0.0000 H 0 0 0
- -4.2769 3.8807 0.0000 H 0 0 0
- 2.5638 -3.2118 0.0000 H 0 0 0
- 12.0794 1.0793 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 1 0
- 8 12 2 0
- 10 13 2 0
- 10 14 1 0
- 12 15 1 0
- 5 7 1 0
- 9 12 1 0
- 11 13 1 0
- 4 17 1 0
- 6 18 1 0
- 6 19 1 0
- 7 20 1 0
- 8 21 1 0
- 9 22 1 0
- 11 23 1 0
- 11 24 1 0
- 14 25 1 0
- 14 26 1 0
- 14 27 1 0
- 15 28 1 0
- 16 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-604-35-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 79 82 1 V2000
- -2.6259 1.4932 1.2529 C 0 0 0
- -2.3536 0.3076 0.3249 C 0 0 0
- -0.8500 0.0953 0.2325 C 0 0 0
- -3.0427 -0.9115 0.8836 C 0 0 0
- -2.9546 0.6107 -1.0455 C 0 0 0
- -0.5745 -1.2983 -0.3553 C 0 0 0
- -0.2091 1.1804 -0.6343 C 0 0 0
- -2.4582 -2.0527 1.0663 C 0 0 0
- -4.5219 -0.7628 1.1996 C 0 0 0
- -4.3974 0.1104 -1.1063 C 0 0 0
- 0.9149 -1.4228 -0.6059 C 0 0 0
- -1.0349 -2.3349 0.6746 C 0 0 0
- 1.3236 1.0219 -0.6042 C 0 0 0
- -5.0842 0.2753 0.2177 C 0 0 0
- 1.6149 -0.2622 0.1512 C 0 0 0
- 1.5739 -2.6551 0.0282 C 0 0 0
- -6.5095 0.0571 0.0465 O 0 0 0
- 1.0738 -0.1690 1.5793 C 0 0 0
- 3.0812 -0.6883 0.1763 C 0 0 0
- 3.0631 -2.2357 0.1474 C 0 0 0
- -7.3184 1.0919 -0.2305 C 0 0 0
- 3.7865 -0.1631 -1.0758 C 0 0 0
- -8.7976 0.8654 -0.4082 C 0 0 0
- -6.8604 2.2049 -0.3373 O 0 0 0
- 5.2848 -0.4568 -0.9781 C 0 0 0
- 3.2108 -0.8546 -2.3132 C 0 0 0
- 6.0033 0.7525 -0.3762 C 0 0 0
- 7.5017 0.4588 -0.2785 C 0 0 0
- 8.2202 1.6680 0.3234 C 0 0 0
- 7.6634 1.9486 1.7206 C 0 0 0
- 9.7186 1.3744 0.4210 C 0 0 0
- -1.6000 1.7288 0.0000 H 0 0 0
- -2.8615 2.5191 0.0000 H 0 0 0
- -3.6518 1.2576 0.0000 H 0 0 0
- 0.1876 -0.0819 0.0000 H 0 0 0
- -2.2576 1.3995 0.0000 H 0 0 0
- -3.5406 1.4851 0.0000 H 0 0 0
- -1.6206 -1.1813 0.0000 H 0 0 0
- 0.0478 2.2012 0.0000 H 0 0 0
- -1.1827 1.5806 0.0000 H 0 0 0
- -3.0924 -2.8928 0.0000 H 0 0 0
- -5.5282 -1.0714 0.0000 H 0 0 0
- -4.4182 -1.8103 0.0000 H 0 0 0
- -4.9649 -0.7761 0.0000 H 0 0 0
- -3.7458 -0.7162 0.0000 H 0 0 0
- 0.3367 -2.3024 0.0000 H 0 0 0
- -1.3155 -3.3494 0.0000 H 0 0 0
- -0.0439 -2.6898 0.0000 H 0 0 0
- 2.3693 1.1420 0.0000 H 0 0 0
- 1.3176 2.0745 0.0000 H 0 0 0
- -5.0401 1.3270 0.0000 H 0 0 0
- 0.6123 -3.0832 0.0000 H 0 0 0
- 1.9316 -3.6451 0.0000 H 0 0 0
- 1.2525 0.8683 0.0000 H 0 0 0
- 0.0365 0.0097 0.0000 H 0 0 0
- 0.8951 -1.2063 0.0000 H 0 0 0
- 4.0191 -1.1661 0.0000 H 0 0 0
- 3.2506 -3.2715 0.0000 H 0 0 0
- 4.1120 -2.1477 0.0000 H 0 0 0
- 3.5535 0.8634 0.0000 H 0 0 0
- -8.9569 1.9059 0.0000 H 0 0 0
- -9.8381 0.7061 0.0000 H 0 0 0
- -8.6383 -0.1751 0.0000 H 0 0 0
- 4.9660 -1.4599 0.0000 H 0 0 0
- 6.2451 -0.8879 0.0000 H 0 0 0
- 2.4019 -0.1811 0.0000 H 0 0 0
- 2.5373 -1.6635 0.0000 H 0 0 0
- 4.0197 -1.5281 0.0000 H 0 0 0
- 6.3221 1.7557 0.0000 H 0 0 0
- 5.0430 1.1836 0.0000 H 0 0 0
- 7.1829 -0.5443 0.0000 H 0 0 0
- 8.4620 0.0277 0.0000 H 0 0 0
- 8.5614 2.6638 0.0000 H 0 0 0
- 8.1371 2.8886 0.0000 H 0 0 0
- 6.7234 2.4223 0.0000 H 0 0 0
- 7.1897 1.0086 0.0000 H 0 0 0
- 9.5162 0.3414 0.0000 H 0 0 0
- 10.7516 1.1720 0.0000 H 0 0 0
- 9.9210 2.4074 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 1 0
- 7 3 1 0
- 8 4 2 0
- 9 4 1 0
- 10 5 1 0
- 11 6 1 0
- 12 6 1 0
- 13 7 1 0
- 14 9 1 0
- 15 11 1 0
- 16 11 1 0
- 17 14 1 0
- 18 15 1 0
- 19 15 1 0
- 20 16 1 0
- 21 17 1 0
- 22 19 1 0
- 23 21 1 0
- 24 21 2 0
- 25 22 1 0
- 26 22 1 0
- 27 25 1 0
- 28 27 1 0
- 29 28 1 0
- 30 29 1 0
- 31 29 1 0
- 8 12 1 0
- 10 14 1 0
- 13 15 1 0
- 19 20 1 0
- 1 32 1 0
- 1 33 1 0
- 1 34 1 0
- 3 35 1 0
- 5 36 1 0
- 5 37 1 0
- 6 38 1 0
- 7 39 1 0
- 7 40 1 0
- 8 41 1 0
- 9 42 1 0
- 9 43 1 0
- 10 44 1 0
- 10 45 1 0
- 11 46 1 0
- 12 47 1 0
- 12 48 1 0
- 13 49 1 0
- 13 50 1 0
- 14 51 1 0
- 16 52 1 0
- 16 53 1 0
- 18 54 1 0
- 18 55 1 0
- 18 56 1 0
- 19 57 1 0
- 20 58 1 0
- 20 59 1 0
- 22 60 1 0
- 23 61 1 0
- 23 62 1 0
- 23 63 1 0
- 25 64 1 0
- 25 65 1 0
- 26 66 1 0
- 26 67 1 0
- 26 68 1 0
- 27 69 1 0
- 27 70 1 0
- 28 71 1 0
- 28 72 1 0
- 29 73 1 0
- 30 74 1 0
- 30 75 1 0
- 30 76 1 0
- 31 77 1 0
- 31 78 1 0
- 31 79 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61-76-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 26 1 V2000
- -2.6992 -0.6537 -0.1055 C 0 0 0
- -3.7030 0.4185 0.2323 C 0 0 2
- -1.6048 -0.8566 0.7123 C 0 0 0
- -2.8777 -1.4373 -1.2308 C 0 0 0
- -3.2864 1.7337 -0.4292 C 0 0 0
- -3.7543 0.5934 1.6496 O 0 0 0
- -0.6813 -1.8442 0.4010 C 0 0 0
- -1.9590 -2.4219 -1.5432 C 0 0 0
- -4.2648 2.7788 -0.0999 N 0 0 0
- -0.8598 -2.6254 -0.7312 C 0 0 0
- 0.3966 -2.0456 1.2039 O 0 0 0
- -3.8082 4.0081 -0.7620 C 0 0 0
- 10.4778 0.8036 -0.0775 Cl 0 0 0
- -4.4941 -0.0333 0.0000 H 0 0 0
- -1.1672 -0.0576 0.0000 H 0 0 0
- -3.7572 -1.6745 0.0000 H 0 0 0
- -2.4772 1.3152 0.0000 H 0 0 0
- -2.7367 2.4601 0.0000 H 0 0 0
- -4.0107 1.4675 0.0000 H 0 0 0
- -2.3970 -3.2207 0.0000 H 0 0 0
- -5.1579 2.5992 0.0000 H 0 0 0
- -0.3594 -3.3866 0.0000 H 0 0 0
- 1.2921 -2.2129 0.0000 H 0 0 0
- -2.9542 3.6909 0.0000 H 0 0 0
- -3.4910 4.8621 0.0000 H 0 0 0
- -4.6622 4.3253 0.0000 H 0 0 0
- 11.3888 0.8036 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 1 0
- 7 10 2 0
- 7 11 1 0
- 9 12 1 0
- 8 10 1 0
- 2 14 1 0
- 3 15 1 0
- 4 16 1 0
- 5 17 1 0
- 5 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 12 26 1 0
- 13 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-61-82-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 10 1 V2000
- -2.0436 -0.0255 -0.0004 N 0 0 0
- -0.7362 -0.0069 -0.0012 C 0 0 0
- 0.0505 1.0991 0.0012 N 0 0 0
- 0.0970 -1.1107 0.0014 N 0 0 0
- 1.3068 0.7532 -0.0005 C 0 0 0
- 1.4070 -0.6027 -0.0008 N 0 0 0
- -3.0623 -0.0400 0.0000 H 0 0 0
- -0.1817 -2.0906 0.0000 H 0 0 0
- 2.0939 1.4001 0.0000 H 0 0 0
- 2.2683 -1.1469 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 2 0
- 6 4 1 0
- 5 6 1 0
- 1 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6109-97-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 33 1 V2000
- -1.8855 -1.3376 -0.0767 C 0 0 0
- -2.8780 -0.2586 -0.2356 C 0 0 0
- -0.7956 -0.7794 0.6076 C 0 0 0
- -1.8604 -2.6791 -0.4513 C 0 0 0
- -2.3246 0.8829 0.3628 C 0 0 0
- -4.1402 -0.1978 -0.8212 C 0 0 0
- -1.0752 0.5509 0.8630 N 0 0 0
- 0.3063 -1.5775 0.9010 C 0 0 0
- -0.7597 -3.4528 -0.1532 C 0 0 0
- -3.0464 2.0722 0.3651 C 0 0 0
- -4.8456 0.9933 -0.8101 C 0 0 0
- -0.1800 1.4759 1.5623 C 0 0 0
- 0.3199 -2.9018 0.5202 C 0 0 0
- -4.2945 2.1252 -0.2165 C 0 0 0
- -6.1144 1.0598 -1.3977 N 0 0 0
- 0.7336 2.1665 0.5478 C 0 0 0
- 11.5314 0.5385 -0.5008 Cl 0 0 0
- -2.7148 -3.1331 0.0000 H 0 0 0
- -4.6394 -1.0266 0.0000 H 0 0 0
- 1.1658 -1.1332 0.0000 H 0 0 0
- -0.8277 -4.4179 0.0000 H 0 0 0
- -2.5541 2.9051 0.0000 H 0 0 0
- -0.3486 2.4286 0.0000 H 0 0 0
- -1.1052 1.7590 0.0000 H 0 0 0
- 1.1476 -3.4028 0.0000 H 0 0 0
- -4.7900 2.9562 0.0000 H 0 0 0
- -6.5536 1.9219 0.0000 H 0 0 0
- -6.6413 0.2484 0.0000 H 0 0 0
- 1.3170 1.3947 0.0000 H 0 0 0
- 1.5054 2.7499 0.0000 H 0 0 0
- 0.1502 2.9383 0.0000 H 0 0 0
- 12.4989 0.5385 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 2 0
- 10 14 1 0
- 11 15 1 0
- 12 16 1 0
- 5 7 1 0
- 9 13 1 0
- 11 14 2 0
- 4 18 1 0
- 6 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 12 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 15 28 1 0
- 16 29 1 0
- 16 30 1 0
- 16 31 1 0
- 17 32 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-611-53-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 30 1 V2000
- 1.4074 3.4526 0.4951 O 0 0 0
- 0.5787 2.5726 0.3637 C 0 0 0
- 0.9778 1.2906 0.3703 N 0 0 0
- -0.7172 2.9069 0.2208 N 0 0 0
- 2.4016 0.9881 0.5362 C 0 0 0
- 0.0874 0.2560 0.2262 C 0 0 0
- -1.6705 1.9120 0.0703 C 0 0 0
- 2.5562 -0.3805 0.9295 O 0 0 0
- 3.1271 1.1701 -0.8144 C 0 0 0
- -1.2252 0.5121 0.0730 C 0 0 0
- -2.9367 2.2125 -0.0703 N 0 0 0
- 3.2865 -1.1006 -0.0762 C 0 0 0
- 4.1184 -0.0255 -0.8197 C 0 0 0
- -2.6028 -1.0507 -0.1487 I 0 0 0
- 4.2297 -2.1003 0.5961 C 0 0 0
- 4.3482 -0.4476 -2.1655 O 0 0 0
- 3.4652 -3.0449 1.3480 O 0 0 0
- -0.9944 3.8815 0.0000 H 0 0 0
- 2.3831 2.0012 0.0000 H 0 0 0
- 0.4193 -0.7014 0.0000 H 0 0 0
- 3.9944 1.6940 0.0000 H 0 0 0
- 2.7376 2.1055 0.0000 H 0 0 0
- -3.9226 2.4465 0.0000 H 0 0 0
- 2.5622 -1.8092 0.0000 H 0 0 0
- 4.9573 0.5428 0.0000 H 0 0 0
- 4.9881 -2.7723 0.0000 H 0 0 0
- 4.9349 -1.3727 0.0000 H 0 0 0
- 4.8327 -1.3375 0.0000 H 0 0 0
- 2.8277 -3.8325 0.0000 H 0 0 0
- 2 1 2 0
- 3 2 1 0
- 4 2 1 0
- 5 3 1 0
- 6 3 1 0
- 7 4 1 0
- 8 5 1 0
- 9 5 1 0
- 10 6 2 0
- 11 7 2 0
- 12 8 1 0
- 13 9 1 0
- 14 10 1 0
- 15 12 1 0
- 16 13 1 0
- 17 15 1 0
- 7 10 1 0
- 12 13 1 0
- 4 18 1 0
- 5 19 1 0
- 6 20 1 0
- 9 21 1 0
- 9 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 15 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-62-33-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 39 35 1 V2000
- -5.1162 -1.8897 0.1856 N 0 0 0
- -5.7432 -0.5633 0.2601 C 0 0 0
- -4.2290 -2.0033 1.3509 C 0 0 0
- -6.1892 -2.8750 0.3743 C 0 0 0
- -4.6761 0.5166 0.0705 C 0 0 0
- -3.1183 -2.9744 1.0438 C 0 0 0
- -6.8041 -3.2100 -0.9602 C 0 0 0
- -5.3030 1.8430 0.1450 N 0 0 0
- -2.2655 -3.2150 1.8873 O 0 0 0
- -3.0695 -3.5223 -0.0490 O 0 0 0
- -7.7978 -3.9215 -1.0145 O 0 0 0
- -6.3094 -2.7704 -1.9892 O 0 0 0
- -5.7869 2.0044 1.5226 C 0 0 0
- -4.2300 2.8283 -0.0437 C 0 0 0
- -6.9212 2.9964 1.5436 C 0 0 0
- -4.0602 3.1106 -1.5143 C 0 0 0
- -7.3728 3.4315 0.4932 O 0 0 0
- -7.3904 3.3666 2.6112 O 0 0 0
- -3.1362 3.8138 -1.8995 O 0 0 0
- -4.8465 2.6365 -2.3230 O 0 0 0
- 9.8371 0.0136 -0.5902 Ca 0 2 0
- 18.4788 0.0776 -0.0264 Na 0 3 0
- 27.1204 0.1417 0.5375 Na 0 3 0
- -6.1734 -0.0256 0.0000 H 0 0 0
- -6.3273 -0.9280 0.0000 H 0 0 0
- -3.6334 -1.6577 0.0000 H 0 0 0
- -4.3653 -1.3283 0.0000 H 0 0 0
- -6.1503 -3.5625 0.0000 H 0 0 0
- -5.5512 -3.1341 0.0000 H 0 0 0
- -4.2459 -0.0211 0.0000 H 0 0 0
- -4.0920 0.8813 0.0000 H 0 0 0
- -6.4037 1.6982 0.0000 H 0 0 0
- -5.7391 1.3174 0.0000 H 0 0 0
- -4.0168 2.1735 0.0000 H 0 0 0
- -3.5458 2.7504 0.0000 H 0 0 0
- -3.0084 -4.2082 0.0000 H 0 0 0
- -5.7946 -2.3130 0.0000 H 0 0 0
- -7.9310 3.7931 0.0000 H 0 0 0
- -5.4362 2.2809 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 6 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 2 0
- 16 20 1 0
- 2 24 1 0
- 2 25 1 0
- 3 26 1 0
- 3 27 1 0
- 4 28 1 0
- 4 29 1 0
- 5 30 1 0
- 5 31 1 0
- 13 32 1 0
- 13 33 1 0
- 14 34 1 0
- 14 35 1 0
- 10 36 1 0
- 12 37 1 0
- 18 38 1 0
- 20 39 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-621-44-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 26 1 V2000
- -1.7380 0.0211 -0.8533 C 0 0 0
- -2.5654 -0.0673 0.4306 C 0 0 0
- -0.3341 0.4541 -0.5174 C 0 0 0
- -4.0290 -0.1465 0.0805 C 0 0 0
- -2.1761 -1.2679 1.1823 N 0 0 0
- 0.6782 -0.4843 -0.4426 C 0 0 0
- -0.0597 1.7903 -0.2902 C 0 0 0
- -4.5519 -1.2222 -0.0906 O 0 0 0
- -4.7517 0.9781 -0.0412 O 0 0 0
- 1.9662 -0.0898 -0.1352 C 0 0 0
- 1.2262 2.1898 0.0174 C 0 0 0
- 3.0496 -1.0950 -0.0557 N 0 3 0
- 2.2430 1.2492 0.0983 C 0 0 0
- 3.1592 -1.9422 -0.9238 O 0 0 0
- 3.8316 -1.0749 0.8779 O 0 5 0
- 3.5090 1.6397 0.4012 O 0 0 0
- -2.0871 -0.9267 0.0000 H 0 0 0
- -1.0432 -0.7121 0.0000 H 0 0 0
- -2.6464 0.9395 0.0000 H 0 0 0
- -2.8524 -2.0181 0.0000 H 0 0 0
- -1.1882 -1.4785 0.0000 H 0 0 0
- 0.4527 -1.4689 0.0000 H 0 0 0
- -0.8083 2.4684 0.0000 H 0 0 0
- -5.2978 1.8279 0.0000 H 0 0 0
- 1.4492 3.1750 0.0000 H 0 0 0
- 4.4742 1.9374 0.0000 H 0 0 0
- 2 1 1 0
- 3 1 1 0
- 4 2 1 0
- 5 2 1 0
- 6 3 2 0
- 7 3 1 0
- 8 4 2 0
- 9 4 1 0
- 10 6 1 0
- 11 7 2 0
- 12 10 1 0
- 13 10 2 0
- 14 12 2 0
- 15 12 1 0
- 16 13 1 0
- 11 13 1 0
- 1 17 1 0
- 1 18 1 0
- 2 19 1 0
- 5 20 1 0
- 5 21 1 0
- 6 22 1 0
- 7 23 1 0
- 9 24 1 0
- 11 25 1 0
- 16 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-624-18-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 18 1 V2000
- -6.7272 1.3425 0.0636 C 0 0 0
- -7.5214 0.3880 0.6848 C 0 0 0
- -5.5500 0.9623 -0.5675 C 0 0 0
- -7.1161 2.6874 0.0685 N 0 0 0
- -7.1407 -0.9396 0.6750 C 0 0 0
- -5.1694 -0.3649 -0.5773 C 0 0 0
- -5.9639 -1.3197 0.0440 C 0 0 0
- -5.5780 -2.6654 0.0341 N 0 0 0
- 4.6508 -0.2767 -0.4398 Cl 0 0 0
- 13.2645 0.2448 0.2900 Cl 0 0 0
- -8.4839 0.5905 0.0000 H 0 0 0
- -4.8431 1.6462 0.0000 H 0 0 0
- -6.4344 3.3964 0.0000 H 0 0 0
- -8.0710 2.9232 0.0000 H 0 0 0
- -7.8476 -1.6235 0.0000 H 0 0 0
- -4.2069 -0.5674 0.0000 H 0 0 0
- -6.2612 -3.3729 0.0000 H 0 0 0
- -4.6237 -2.9033 0.0000 H 0 0 0
- 5.6344 -0.2767 0.0000 H 0 0 0
- 14.2481 0.2448 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 2 0
- 5 7 2 0
- 7 8 1 0
- 6 7 1 0
- 2 11 1 0
- 3 12 1 0
- 4 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 8 17 1 0
- 8 18 1 0
- 9 19 1 0
- 10 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-6285-68-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- 0.2448 0.8179 -0.0028 C 0 0 0
- 0.0862 -0.5776 -0.0007 C 0 0 0
- 1.6105 1.0504 -0.0022 N 0 0 0
- -0.8707 1.6414 0.0001 C 0 0 0
- 1.3317 -1.1216 0.0010 N 0 0 0
- -1.1997 -1.1237 -0.0001 C 0 0 0
- 2.2285 -0.1671 0.0002 C 0 0 0
- -2.1339 1.0866 0.0050 C 0 0 0
- -2.2962 -0.2909 -0.0015 C 0 0 0
- 3.5935 -0.3626 0.0019 N 0 0 0
- -3.6831 -0.8805 -0.0008 C 0 0 0
- 2.0766 1.9766 0.0000 H 0 0 0
- -0.7558 2.6719 0.0000 H 0 0 0
- -1.3279 -2.1526 0.0000 H 0 0 0
- -2.9674 1.7034 0.0000 H 0 0 0
- 3.9794 -1.3250 0.0000 H 0 0 0
- 4.2340 0.4528 0.0000 H 0 0 0
- -4.0888 0.0737 0.0000 H 0 0 0
- -4.6373 -1.2862 0.0000 H 0 0 0
- -3.2774 -1.8347 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 6 9 2 0
- 7 10 1 0
- 9 11 1 0
- 5 7 2 0
- 8 9 1 0
- 3 12 1 0
- 4 13 1 0
- 6 14 1 0
- 8 15 1 0
- 10 16 1 0
- 10 17 1 0
- 11 18 1 0
- 11 19 1 0
- 11 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63-45-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 56 55 1 V2000
- -10.4417 0.1727 -0.1776 C 0 0 0
- -10.7444 1.4433 -0.7170 C 0 0 0
- -9.8567 0.0810 1.0646 C 0 0 0
- -10.7398 -0.9829 -0.8981 N 0 0 0
- -10.4385 2.6044 0.0345 C 0 0 0
- -11.3125 1.5604 -1.9199 N 0 0 0
- -9.5576 1.2299 1.8006 C 0 0 0
- -9.6595 -1.8624 -1.3515 C 0 0 0
- -9.8421 2.4798 1.2993 C 0 0 0
- -10.7423 3.8675 -0.5081 C 0 0 0
- -11.5975 2.7346 -2.4287 C 0 0 0
- -8.9799 1.1123 3.0250 O 0 0 0
- -10.1534 -3.3104 -1.3671 C 0 0 0
- -9.2285 -1.4554 -2.7620 C 0 0 0
- -11.3226 3.9159 -1.7437 C 0 0 0
- -8.7982 2.4386 3.5250 C 0 0 0
- -10.5844 -3.7174 0.0434 C 0 0 0
- -11.0782 -5.1654 0.0279 C 0 0 0
- -11.4921 -5.5562 1.3822 N 0 0 0
- 6.6470 -0.2836 0.4043 P 0 0 0
- 5.6881 0.9869 0.1630 O 0 0 0
- 7.8669 0.1396 1.3660 O 0 0 0
- 5.8043 -1.4683 1.0961 O 0 0 0
- 7.1818 -0.7517 -0.8939 O 0 0 0
- 19.3109 0.1268 -0.3282 P 0 0 0
- 18.3520 1.3974 -0.5695 O 0 0 0
- 20.5308 0.5500 0.6335 O 0 0 0
- 18.4682 -1.0578 0.3636 O 0 0 0
- 19.8457 -0.3413 -1.6265 O 0 0 0
- -9.3589 -0.6783 0.0000 H 0 0 0
- -11.6023 -1.2664 0.0000 H 0 0 0
- -8.8958 -2.3534 0.0000 H 0 0 0
- -9.2058 3.1275 0.0000 H 0 0 0
- -10.1512 4.5566 0.0000 H 0 0 0
- -12.5054 2.7303 0.0000 H 0 0 0
- -9.8041 -4.1484 0.0000 H 0 0 0
- -9.2460 -3.2803 0.0000 H 0 0 0
- -8.6051 -2.1155 0.0000 H 0 0 0
- -8.5684 -0.8320 0.0000 H 0 0 0
- -9.8519 -0.7953 0.0000 H 0 0 0
- -11.8571 4.6498 0.0000 H 0 0 0
- -7.8987 2.3154 0.0000 H 0 0 0
- -8.6750 3.3381 0.0000 H 0 0 0
- -9.6977 2.5618 0.0000 H 0 0 0
- -10.9337 -2.8794 0.0000 H 0 0 0
- -11.4918 -3.7475 0.0000 H 0 0 0
- -10.7289 -6.0034 0.0000 H 0 0 0
- -10.1708 -5.1353 0.0000 H 0 0 0
- -12.3620 -5.2961 0.0000 H 0 0 0
- -11.2824 -6.4396 0.0000 H 0 0 0
- 5.1411 1.7116 0.0000 H 0 0 0
- 8.7247 0.4372 0.0000 H 0 0 0
- 5.2780 -2.2082 0.0000 H 0 0 0
- 17.8051 2.1221 0.0000 H 0 0 0
- 21.3886 0.8476 0.0000 H 0 0 0
- 17.9419 -1.7976 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 5 10 2 0
- 6 11 1 0
- 7 12 1 0
- 8 13 1 0
- 8 14 1 0
- 10 15 1 0
- 12 16 1 0
- 13 17 1 0
- 17 18 1 0
- 18 19 1 0
- 20 21 1 0
- 20 22 1 0
- 20 23 1 0
- 20 24 2 0
- 25 26 1 0
- 25 27 1 0
- 25 28 1 0
- 25 29 2 0
- 7 9 2 0
- 11 15 2 0
- 3 30 1 0
- 4 31 1 0
- 8 32 1 0
- 9 33 1 0
- 10 34 1 0
- 11 35 1 0
- 13 36 1 0
- 13 37 1 0
- 14 38 1 0
- 14 39 1 0
- 14 40 1 0
- 15 41 1 0
- 16 42 1 0
- 16 43 1 0
- 16 44 1 0
- 17 45 1 0
- 17 46 1 0
- 18 47 1 0
- 18 48 1 0
- 19 49 1 0
- 19 50 1 0
- 21 51 1 0
- 22 52 1 0
- 23 53 1 0
- 26 54 1 0
- 27 55 1 0
- 28 56 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-63-56-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 45 1 V2000
- -1.3709 1.0593 0.0698 N 0 0 0
- -2.1809 1.1797 1.1857 C 0 0 0
- -0.2552 0.1098 0.0736 C 0 0 0
- -1.6329 1.8770 -1.1171 C 0 0 0
- -3.1854 2.0432 1.1654 N 0 0 0
- -1.9365 0.4246 2.2468 N 0 0 0
- -0.7566 -1.2559 -0.3196 C 0 0 0
- -0.8571 3.1916 -1.0122 C 0 0 0
- -3.9786 2.1825 2.2149 C 0 0 0
- -2.6916 0.5147 3.3290 C 0 0 0
- -0.6713 -1.6698 -1.6358 C 0 0 0
- -1.2961 -2.0952 0.6380 C 0 0 0
- -1.1198 4.0115 -2.2024 N 0 0 0
- -3.7482 1.4120 3.3435 C 0 0 0
- -1.1298 -2.9216 -1.9987 C 0 0 0
- -1.7559 -3.3475 0.2803 C 0 0 0
- -0.3497 5.2517 -2.0390 C 0 0 0
- -0.5333 3.2978 -3.3445 C 0 0 0
- -1.6762 -3.7633 -1.0411 C 0 0 0
- -2.1283 -4.9949 -1.3956 O 0 0 0
- -2.6249 -5.6108 -0.2056 C 0 0 0
- 12.8245 -0.1669 0.6826 Cl 0 0 0
- 0.3874 -0.2163 0.0000 H 0 0 0
- 0.1441 0.7096 0.0000 H 0 0 0
- -2.1474 2.3815 0.0000 H 0 0 0
- -2.2462 1.4988 0.0000 H 0 0 0
- -0.3426 2.6871 0.0000 H 0 0 0
- -0.2438 3.5698 0.0000 H 0 0 0
- -4.5170 2.6614 0.0000 H 0 0 0
- -2.9798 -0.1457 0.0000 H 0 0 0
- 0.0473 -1.7230 0.0000 H 0 0 0
- -1.9413 -1.7743 0.0000 H 0 0 0
- -4.3515 1.0179 0.0000 H 0 0 0
- -0.4852 -3.2437 0.0000 H 0 0 0
- -2.4741 -3.2890 0.0000 H 0 0 0
- 0.2625 4.8716 0.0000 H 0 0 0
- 0.0304 5.8639 0.0000 H 0 0 0
- -0.9619 5.6318 0.0000 H 0 0 0
- -1.0900 2.8403 0.0000 H 0 0 0
- -0.0758 2.7411 0.0000 H 0 0 0
- 0.0234 3.7553 0.0000 H 0 0 0
- -3.1858 -5.1585 0.0000 H 0 0 0
- -3.0772 -6.1717 0.0000 H 0 0 0
- -2.0640 -6.0631 0.0000 H 0 0 0
- 13.5451 -0.1669 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 6 10 2 0
- 7 11 2 0
- 7 12 1 0
- 8 13 1 0
- 9 14 2 0
- 11 15 1 0
- 12 16 2 0
- 13 17 1 0
- 13 18 1 0
- 15 19 2 0
- 19 20 1 0
- 20 21 1 0
- 10 14 1 0
- 16 19 1 0
- 3 23 1 0
- 3 24 1 0
- 4 25 1 0
- 4 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 10 30 1 0
- 11 31 1 0
- 12 32 1 0
- 14 33 1 0
- 15 34 1 0
- 16 35 1 0
- 17 36 1 0
- 17 37 1 0
- 17 38 1 0
- 18 39 1 0
- 18 40 1 0
- 18 41 1 0
- 21 42 1 0
- 21 43 1 0
- 21 44 1 0
- 22 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-63166-73-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-109115 1 V2000
- -4.4718 3.5772 -0.1053 C 0 0 2
- -4.3292 2.1714 -0.6926 C 0 0 1
- -3.2529 3.7446 0.8342 C 0 0 1
- -5.8200 4.1894 0.2332 C 0 0 0
- -4.9997 4.6678 -0.8381 O 0 0 0
- -3.1259 1.6008 -0.1370 O 0 0 0
- -5.5285 1.3116 -0.2952 C 0 0 0
- -4.2120 2.2386 -2.1104 O 0 0 0
- -2.9076 2.2684 1.1138 C 0 0 1
- -2.1491 4.4075 0.0078 C 0 0 0
- -5.3283 -0.1078 -0.8395 C 0 0 1
- -3.8740 0.9340 -2.5783 C 0 0 0
- -1.5116 2.0747 1.6527 C 0 0 0
- -0.7890 4.2382 0.6789 C 0 0 0
- -5.0469 -0.0205 -2.3438 C 0 0 1
- -4.2161 -0.7178 -0.1815 O 0 0 0
- -0.4673 2.7415 0.7576 C 0 0 1
- -4.6889 -1.4092 -2.8770 C 0 0 0
- -4.7234 -1.5806 0.7230 C 0 0 0
- 0.9023 2.5530 1.3574 C 0 0 0
- -3.8270 -2.3223 1.6088 C 0 0 0
- -5.9264 -1.7416 0.8017 O 0 0 0
- 1.8690 1.9509 0.6469 O 0 0 0
- 1.1303 2.9437 2.4777 O 0 0 0
- -4.3343 -3.1852 2.5134 C 0 0 0
- 3.1665 1.7039 1.2500 C 0 0 1
- -3.4321 -3.9317 3.4049 C 0 0 0
- 3.9719 0.7568 0.3576 C 0 0 1
- 3.8648 2.9388 1.3982 O 0 0 0
- -3.9541 -4.8270 4.3437 C 0 0 0
- -2.0478 -3.7537 3.3135 C 0 0 0
- 5.3244 0.4744 1.0214 C 0 0 2
- 3.2557 -0.4690 0.1954 O 0 0 0
- 5.0458 2.6787 2.1545 C 0 0 1
- -3.1021 -5.5231 5.1752 C 0 0 0
- -1.2092 -4.4570 4.1518 C 0 0 0
- 6.0050 1.8115 1.3361 C 0 0 1
- 6.1590 -0.2914 0.1130 O 0 0 0
- 2.8356 -0.5245 -1.1693 C 0 0 1
- 5.7283 4.0023 2.5055 C 0 0 0
- -1.7340 -5.3375 5.0822 C 0 0 0
- 7.1947 1.5743 2.0912 O 0 0 0
- 7.0704 -1.1482 0.5998 C 0 0 0
- 2.2245 -1.8972 -1.4596 C 0 0 1
- 1.8684 0.4957 -1.4108 O 0 0 0
- 7.9365 -1.9431 -0.3431 C 0 0 0
- 7.1964 -1.2821 1.7940 O 0 0 0
- 1.8110 -1.9581 -2.9344 C 0 0 2
- 3.1918 -2.9150 -1.1937 O 0 0 0
- 1.6135 0.5252 -2.8138 C 0 0 1
- 0.9024 -0.7616 -3.2387 C 0 0 1
- 1.0866 -3.1916 -3.1834 O 0 0 0
- 0.7303 1.7295 -3.1464 C 0 0 0
- 0.6301 -0.7148 -4.6407 O 0 0 0
- 1.1410 -3.7692 -4.3938 C 0 0 0
- 0.3892 -5.0494 -4.6523 C 0 0 0
- 1.7927 -3.2627 -5.2762 O 0 0 0
- -3.5690 4.6419 0.0000 H 0 0 0
- -6.4569 4.8961 0.0000 H 0 0 0
- -6.3819 3.4217 0.0000 H 0 0 0
- -5.9520 2.1635 0.0000 H 0 0 0
- -6.4372 1.0298 0.0000 H 0 0 0
- -3.8581 2.3094 0.0000 H 0 0 0
- -1.7561 5.2739 0.0000 H 0 0 0
- -2.8594 5.0405 0.0000 H 0 0 0
- -6.1110 -0.6486 0.0000 H 0 0 0
- -3.3849 0.1179 0.0000 H 0 0 0
- -2.9965 1.3016 0.0000 H 0 0 0
- -1.9048 1.2084 0.0000 H 0 0 0
- -0.7928 1.4515 0.0000 H 0 0 0
- 0.1576 4.3331 0.0000 H 0 0 0
- -0.7776 5.1895 0.0000 H 0 0 0
- -5.4963 0.8181 0.0000 H 0 0 0
- -0.2636 1.8122 0.0000 H 0 0 0
- -5.6102 -1.6467 0.0000 H 0 0 0
- -4.4514 -2.3305 0.0000 H 0 0 0
- -3.7676 -1.1717 0.0000 H 0 0 0
- -2.8900 -2.1576 0.0000 H 0 0 0
- -5.2713 -3.3499 0.0000 H 0 0 0
- 2.6879 0.8817 0.0000 H 0 0 0
- 4.4577 1.5748 0.0000 H 0 0 0
- -4.8903 -4.9963 0.0000 H 0 0 0
- -1.7803 -2.8407 0.0000 H 0 0 0
- 4.8900 -0.3720 0.0000 H 0 0 0
- 4.6099 1.8331 0.0000 H 0 0 0
- -3.3605 -6.4387 0.0000 H 0 0 0
- -0.2712 -4.2982 0.0000 H 0 0 0
- 6.4324 2.6615 0.0000 H 0 0 0
- 3.1532 0.3723 0.0000 H 0 0 0
- 6.5739 3.5663 0.0000 H 0 0 0
- 6.1643 4.8479 0.0000 H 0 0 0
- 4.8827 4.4383 0.0000 H 0 0 0
- -1.2094 -6.1312 0.0000 H 0 0 0
- 8.1277 1.3883 0.0000 H 0 0 0
- 1.9141 -2.7965 0.0000 H 0 0 0
- 7.2932 -2.6440 0.0000 H 0 0 0
- 8.6374 -2.5864 0.0000 H 0 0 0
- 8.5798 -1.2422 0.0000 H 0 0 0
- 2.3427 -2.7470 0.0000 H 0 0 0
- 3.8472 -3.6046 0.0000 H 0 0 0
- 2.0917 1.3477 0.0000 H 0 0 0
- 0.4086 -1.5748 0.0000 H 0 0 0
- 1.4975 2.2921 0.0000 H 0 0 0
- 0.1677 2.4967 0.0000 H 0 0 0
- -0.0369 1.1669 0.0000 H 0 0 0
- -0.3075 -0.5537 0.0000 H 0 0 0
- -0.4312 -4.5676 0.0000 H 0 0 0
- -0.0926 -5.8698 0.0000 H 0 0 0
- 1.2096 -5.5312 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 1 0
- 2 7 1 0
- 2 8 1 0
- 3 9 1 0
- 3 10 1 0
- 7 11 1 0
- 8 12 1 0
- 9 13 1 0
- 10 14 1 0
- 11 15 1 0
- 11 16 1 0
- 13 17 1 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 19 21 1 0
- 19 22 2 0
- 20 23 1 0
- 20 24 2 0
- 21 25 2 0
- 26 23 1 0
- 25 27 1 0
- 26 28 1 0
- 26 29 1 0
- 27 30 2 0
- 27 31 1 0
- 28 32 1 0
- 28 33 1 0
- 29 34 1 0
- 30 35 1 0
- 31 36 2 0
- 32 37 1 0
- 32 38 1 0
- 39 33 1 0
- 34 40 1 0
- 35 41 2 0
- 37 42 1 0
- 38 43 1 0
- 39 44 1 0
- 39 45 1 0
- 43 46 1 0
- 43 47 2 0
- 44 48 1 0
- 44 49 1 0
- 45 50 1 0
- 48 51 1 0
- 48 52 1 0
- 50 53 1 0
- 51 54 1 0
- 52 55 1 0
- 55 56 1 0
- 55 57 2 0
- 4 5 1 0
- 6 9 1 0
- 12 15 1 0
- 14 17 1 0
- 34 37 1 0
- 36 41 1 0
- 50 51 1 0
- 3 58 1 0
- 4 59 1 0
- 4 60 1 0
- 7 61 1 0
- 7 62 1 0
- 9 63 1 0
- 10 64 1 0
- 10 65 1 0
- 11 66 1 0
- 12 67 1 0
- 12 68 1 0
- 13 69 1 0
- 13 70 1 0
- 14 71 1 0
- 14 72 1 0
- 15 73 1 0
- 17 74 1 0
- 18 75 1 0
- 18 76 1 0
- 18 77 1 0
- 21 78 1 0
- 25 79 1 0
- 26 80 1 0
- 28 81 1 0
- 30 82 1 0
- 31 83 1 0
- 32 84 1 0
- 34 85 1 0
- 35 86 1 0
- 36 87 1 0
- 37 88 1 0
- 39 89 1 0
- 40 90 1 0
- 40 91 1 0
- 40 92 1 0
- 41 93 1 0
- 42 94 1 0
- 44 95 1 0
- 46 96 1 0
- 46 97 1 0
- 46 98 1 0
- 48 99 1 0
- 49100 1 0
- 50101 1 0
- 51102 1 0
- 53103 1 0
- 53104 1 0
- 53105 1 0
- 54106 1 0
- 56107 1 0
- 56108 1 0
- 56109 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-633-03-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 70 1 V2000
- -4.7158 -0.7481 -0.6549 C 0 0 0
- -3.6214 -1.4089 0.0575 C 0 0 0
- -5.0933 0.6221 -0.3069 C 0 0 0
- -5.4318 -1.4587 -1.7242 C 0 0 0
- -2.3080 -1.3273 -0.4359 C 0 0 0
- -3.8793 -2.1223 1.2401 C 0 0 0
- -6.2269 1.2114 -0.8923 C 0 0 0
- -4.3268 1.3513 0.6183 C 0 0 0
- -5.0110 -1.3374 -3.0553 C 0 0 0
- -6.5351 -2.2656 -1.4177 C 0 0 0
- -1.2922 -1.9448 0.2316 C 0 0 0
- -2.8560 -2.7363 1.9000 C 0 0 0
- -6.5746 2.4883 -0.5641 C 0 0 0
- -4.6833 2.6275 0.9394 C 0 0 0
- -5.6876 -2.0073 -4.0511 C 0 0 0
- -7.2002 -2.9286 -2.4264 C 0 0 0
- -1.5547 -2.6570 1.4028 C 0 0 0
- -5.8069 3.2098 0.3512 C 0 0 0
- -6.7807 -2.7989 -3.7396 C 0 0 0
- -0.5186 -3.2832 2.0771 N 0 0 0
- -6.1644 4.5071 0.6807 N 0 3 0
- -0.5237 -4.7393 2.2382 C 0 0 0
- 0.5819 -2.4890 2.6288 C 0 0 0
- -5.3640 5.6335 0.1941 C 0 0 0
- -7.3428 4.7526 1.5158 C 0 0 0
- 0.0062 -5.3954 0.9616 C 0 0 0
- 0.3357 -2.2421 4.1185 C 0 0 0
- -5.9011 6.0921 -1.1632 C 0 0 0
- -7.1515 4.0818 2.8775 C 0 0 0
- 15.3435 0.9296 -0.5799 S 0 0 0
- 14.5673 -0.3333 -0.2352 O 0 0 0
- 16.2821 0.5463 -1.5756 O 0 0 0
- 14.3700 1.9554 -0.7186 O 0 0 0
- 16.1682 1.3049 0.6431 O 0 0 0
- -2.0916 -0.4508 0.0000 H 0 0 0
- -4.7299 -2.4248 0.0000 H 0 0 0
- -6.9297 0.6447 0.0000 H 0 0 0
- -3.4565 1.1114 0.0000 H 0 0 0
- -4.2323 -0.8806 0.0000 H 0 0 0
- -7.1219 -1.5796 0.0000 H 0 0 0
- -0.4398 -1.6474 0.0000 H 0 0 0
- -3.0704 -3.6132 0.0000 H 0 0 0
- -7.4434 2.7337 0.0000 H 0 0 0
- -3.9828 3.1969 0.0000 H 0 0 0
- -5.1035 -2.6957 0.0000 H 0 0 0
- -7.9737 -3.3942 0.0000 H 0 0 0
- -6.3772 -3.6065 0.0000 H 0 0 0
- -1.3863 -4.4730 0.0000 H 0 0 0
- -1.0300 -5.4867 0.0000 H 0 0 0
- 1.1482 -3.1921 0.0000 H 0 0 0
- 1.2540 -1.8863 0.0000 H 0 0 0
- -4.6439 5.0890 0.0000 H 0 0 0
- -4.7984 6.3371 0.0000 H 0 0 0
- -7.3028 5.6545 0.0000 H 0 0 0
- -8.2394 4.6474 0.0000 H 0 0 0
- -0.6961 -5.9626 0.0000 H 0 0 0
- 0.5734 -6.0977 0.0000 H 0 0 0
- 0.7085 -4.8282 0.0000 H 0 0 0
- 0.9750 -1.6046 0.0000 H 0 0 0
- -0.3018 -1.6028 0.0000 H 0 0 0
- -0.3036 -2.8796 0.0000 H 0 0 0
- -5.3149 6.7787 0.0000 H 0 0 0
- -6.5877 6.6783 0.0000 H 0 0 0
- -6.4873 5.4055 0.0000 H 0 0 0
- -8.0197 3.8342 0.0000 H 0 0 0
- -6.9039 3.2136 0.0000 H 0 0 0
- -6.2833 4.3294 0.0000 H 0 0 0
- 14.0946 -1.1024 0.0000 H 0 0 0
- 16.9899 1.6788 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 1 0
- 7 13 2 0
- 8 14 2 0
- 9 15 2 0
- 10 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 1 0
- 17 20 1 0
- 18 21 2 0
- 20 22 1 0
- 20 23 1 0
- 21 24 1 0
- 21 25 1 0
- 22 26 1 0
- 23 27 1 0
- 24 28 1 0
- 25 29 1 0
- 30 31 1 0
- 30 32 2 0
- 30 33 2 0
- 30 34 1 0
- 12 17 2 0
- 14 18 1 0
- 16 19 2 0
- 5 35 1 0
- 6 36 1 0
- 7 37 1 0
- 8 38 1 0
- 9 39 1 0
- 10 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 14 44 1 0
- 15 45 1 0
- 16 46 1 0
- 19 47 1 0
- 22 48 1 0
- 22 49 1 0
- 23 50 1 0
- 23 51 1 0
- 24 52 1 0
- 24 53 1 0
- 25 54 1 0
- 25 55 1 0
- 26 56 1 0
- 26 57 1 0
- 26 58 1 0
- 27 59 1 0
- 27 60 1 0
- 27 61 1 0
- 28 62 1 0
- 28 63 1 0
- 28 64 1 0
- 29 65 1 0
- 29 66 1 0
- 29 67 1 0
- 31 68 1 0
- 34 69 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-64-75-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 58 60 1 V2000
- -2.0582 0.9608 1.0098 C 0 0 1
- -2.6398 -0.4395 0.8183 C 0 0 2
- -0.9877 1.2140 -0.0483 C 0 0 0
- -3.1359 2.0263 0.9957 C 0 0 1
- -1.5167 -1.4356 0.7098 C 0 0 0
- -3.3966 -0.4591 -0.4966 C 0 0 0
- -3.4961 -0.7746 1.9121 O 0 0 0
- 0.2090 0.3142 0.2707 C 0 0 1
- -4.0553 1.8892 -0.1807 C 0 0 0
- -3.9158 1.9503 2.2382 N 0 0 0
- -0.2453 -1.1065 0.4638 C 0 0 0
- -1.8118 -2.7409 0.8712 O 0 0 0
- -4.1871 0.7115 -0.8730 C 0 0 0
- -3.3468 -1.4302 -1.2232 O 0 0 0
- 1.2378 0.3984 -0.8532 C 0 0 2
- -4.7731 2.9534 -0.5695 O 0 0 0
- -2.9623 2.1033 3.3452 C 0 0 0
- -4.7856 3.1339 2.2637 C 0 0 0
- 0.7282 -2.1473 0.3815 C 0 0 0
- -5.1292 0.6268 -2.0003 C 0 0 0
- 2.3717 -0.5550 -0.5842 C 0 0 0
- 1.7830 1.8255 -0.9369 C 0 0 0
- 0.6149 0.0571 -2.0932 O 0 0 0
- 2.1150 -1.7898 0.0178 C 0 0 0
- 0.4226 -3.3046 0.6064 O 0 0 0
- -6.4274 0.3440 -1.7739 N 0 0 0
- -4.7363 0.8121 -3.1365 O 0 0 0
- 3.6623 -0.2154 -0.9262 C 0 0 0
- 3.1684 -2.6753 0.2700 C 0 0 0
- 4.7043 -1.0939 -0.6756 C 0 0 0
- 4.4624 -2.3169 -0.0808 C 0 0 0
- 2.9267 -3.8759 0.8540 O 0 0 0
- 14.1331 2.4656 0.0008 Cl 0 0 0
- -1.4201 0.2104 0.0000 H 0 0 0
- -0.2311 1.8446 0.0000 H 0 0 0
- -1.4281 2.0950 0.0000 H 0 0 0
- -2.8062 2.9545 0.0000 H 0 0 0
- -4.4133 -1.1335 0.0000 H 0 0 0
- 0.4827 1.2604 0.0000 H 0 0 0
- -2.0290 -3.7016 0.0000 H 0 0 0
- -5.3239 3.7700 0.0000 H 0 0 0
- -2.8062 1.1308 0.0000 H 0 0 0
- -1.9898 2.2594 0.0000 H 0 0 0
- -3.1184 3.0758 0.0000 H 0 0 0
- -3.9919 3.7172 0.0000 H 0 0 0
- -5.3689 3.9276 0.0000 H 0 0 0
- -5.5793 2.5506 0.0000 H 0 0 0
- 2.7031 1.4740 0.0000 H 0 0 0
- 2.1345 2.7456 0.0000 H 0 0 0
- 0.8629 2.1770 0.0000 H 0 0 0
- -0.2489 -0.4162 0.0000 H 0 0 0
- -7.0902 1.0726 0.0000 H 0 0 0
- -6.7270 -0.5943 0.0000 H 0 0 0
- 3.8788 0.7455 0.0000 H 0 0 0
- 5.6337 -0.7677 0.0000 H 0 0 0
- 5.1845 -2.9868 0.0000 H 0 0 0
- 2.7323 -4.8415 0.0000 H 0 0 0
- 15.1181 2.4656 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 2 0
- 5 12 1 0
- 6 13 1 0
- 6 14 2 0
- 8 15 1 0
- 9 16 1 0
- 10 17 1 0
- 10 18 1 0
- 11 19 1 0
- 13 20 1 0
- 15 21 1 0
- 15 22 1 0
- 15 23 1 0
- 19 24 1 0
- 19 25 2 0
- 20 26 1 0
- 20 27 2 0
- 21 28 2 0
- 24 29 2 0
- 28 30 1 0
- 29 31 1 0
- 29 32 1 0
- 8 11 1 0
- 9 13 2 0
- 21 24 1 0
- 30 31 2 0
- 1 34 1 0
- 3 35 1 0
- 3 36 1 0
- 4 37 1 0
- 7 38 1 0
- 8 39 1 0
- 12 40 1 0
- 16 41 1 0
- 17 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 18 46 1 0
- 18 47 1 0
- 22 48 1 0
- 22 49 1 0
- 22 50 1 0
- 23 51 1 0
- 26 52 1 0
- 26 53 1 0
- 28 54 1 0
- 30 55 1 0
- 31 56 1 0
- 32 57 1 0
- 33 58 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-64-86-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 56 1 V2000
- 0.5809 -0.4091 -0.5079 C 0 0 0
- -0.9083 -0.3583 -0.4106 C 0 0 0
- 1.2999 -1.2742 0.3220 C 0 0 0
- 1.2469 0.4062 -1.4172 C 0 0 0
- -1.4974 0.9034 -0.3143 C 0 0 0
- -1.5679 -1.5602 -0.4180 C 0 0 0
- 2.6858 -1.3095 0.2338 C 0 0 0
- 0.6488 -2.0733 1.2076 O 0 0 0
- 2.6232 0.3705 -1.4953 C 0 0 0
- 0.4598 1.3138 -2.3271 C 0 0 0
- -0.5936 2.1146 -0.2045 C 0 0 2
- -2.8198 1.1439 -0.3041 C 0 0 0
- -2.8737 -1.8861 -0.3789 C 0 0 0
- 3.3441 -0.4873 -0.6737 C 0 0 0
- 3.3983 -2.1484 1.0344 O 0 0 0
- 0.6867 -1.4064 2.4709 C 0 0 0
- -0.0332 2.5262 -1.5427 C 0 0 0
- 0.5097 1.8192 0.7130 N 0 0 0
- -3.9137 0.3263 -0.3437 C 0 0 0
- -3.9564 -1.0636 -0.3480 C 0 0 0
- 4.7006 -0.5195 -0.7544 O 0 0 0
- 3.5245 -3.3847 0.3288 C 0 0 0
- 0.9454 2.7642 1.5694 C 0 0 0
- -4.9986 0.8916 -0.3802 O 0 0 0
- -5.1793 -1.6474 -0.3191 O 0 0 0
- 5.0768 0.4219 -1.7615 C 0 0 0
- 2.0121 2.4309 2.5804 C 0 0 0
- 0.4791 3.8830 1.5264 O 0 0 0
- -5.6496 -1.5544 1.0270 C 0 0 0
- -1.0077 -2.2869 0.0000 H 0 0 0
- 3.0214 1.1971 0.0000 H 0 0 0
- -0.4573 1.3395 0.0000 H 0 0 0
- 0.0672 0.4845 0.0000 H 0 0 0
- -1.2399 2.7658 0.0000 H 0 0 0
- -3.0298 2.0370 0.0000 H 0 0 0
- -3.0583 -2.7849 0.0000 H 0 0 0
- 1.6027 -1.4585 0.0000 H 0 0 0
- 0.7388 -0.4904 0.0000 H 0 0 0
- -0.2293 -1.3543 0.0000 H 0 0 0
- 0.7854 2.9406 0.0000 H 0 0 0
- -0.5136 3.3079 0.0000 H 0 0 0
- 0.8993 0.9885 0.0000 H 0 0 0
- 2.6117 -3.4779 0.0000 H 0 0 0
- 3.6177 -4.2975 0.0000 H 0 0 0
- 4.4373 -3.2915 0.0000 H 0 0 0
- 5.9288 0.0814 0.0000 H 0 0 0
- 5.4173 1.2739 0.0000 H 0 0 0
- 4.2248 0.7624 0.0000 H 0 0 0
- 1.7385 1.5551 0.0000 H 0 0 0
- 2.8879 2.1573 0.0000 H 0 0 0
- 2.2857 3.3067 0.0000 H 0 0 0
- -5.4716 -0.6543 0.0000 H 0 0 0
- -6.5497 -1.3764 0.0000 H 0 0 0
- -5.8276 -2.4545 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 5 12 2 0
- 6 13 1 0
- 7 14 2 0
- 7 15 1 0
- 8 16 1 0
- 10 17 1 0
- 11 18 1 0
- 12 19 1 0
- 13 20 2 0
- 14 21 1 0
- 15 22 1 0
- 18 23 1 0
- 19 24 2 0
- 20 25 1 0
- 21 26 1 0
- 23 27 1 0
- 23 28 2 0
- 25 29 1 0
- 9 14 1 0
- 11 17 1 0
- 19 20 1 0
- 6 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 11 34 1 0
- 12 35 1 0
- 13 36 1 0
- 16 37 1 0
- 16 38 1 0
- 16 39 1 0
- 17 40 1 0
- 17 41 1 0
- 18 42 1 0
- 22 43 1 0
- 22 44 1 0
- 22 45 1 0
- 26 46 1 0
- 26 47 1 0
- 26 48 1 0
- 27 49 1 0
- 27 50 1 0
- 27 51 1 0
- 29 52 1 0
- 29 53 1 0
- 29 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6428-31-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 87 90 1 V2000
- -1.7056 -1.7801 0.7763 C 0 0 0
- -2.0204 -2.7857 1.7244 C 0 0 0
- -0.4023 -1.7104 0.2439 C 0 0 0
- -2.6960 -0.8617 0.3836 C 0 0 0
- -1.0300 -3.7025 2.1230 C 0 0 0
- -3.3208 -2.8578 2.2577 C 0 0 0
- 0.5584 -2.6387 0.6635 C 0 0 0
- -0.0761 -0.7365 -0.6827 N 0 0 0
- -3.9757 -0.9577 0.9369 C 0 0 0
- -2.4121 0.1062 -0.5212 O 0 0 0
- 0.2225 -3.6286 1.6050 C 0 0 0
- -4.2712 -1.9704 1.8683 C 0 0 0
- 1.8197 -2.5840 0.1583 N 0 0 0
- -4.9427 -0.0749 0.5657 N 0 0 0
- 1.4453 -4.7881 2.1199 S 0 0 0
- -5.8929 -2.0795 2.5484 S 0 0 0
- 2.3928 -3.6600 -0.2634 N 0 0 0
- -5.6493 0.5232 1.4640 N 0 0 0
- 1.3435 -5.8822 1.2190 O 0 0 0
- 2.6212 -4.0277 2.3608 O 0 0 0
- 1.0171 -5.3285 3.4768 O 0 0 0
- -5.8795 -1.2633 3.7116 O 0 0 0
- -6.7828 -1.9319 1.4504 O 0 0 0
- -6.0828 -3.5053 3.0459 O 0 0 0
- 3.6584 -3.6052 -0.7703 C 0 0 0
- -6.6188 1.4082 1.0918 C 0 0 0
- 4.2803 -4.7726 -1.2278 C 0 0 0
- 4.3329 -2.3802 -0.8381 C 0 0 0
- -7.3855 2.0571 2.0665 C 0 0 0
- -6.8428 1.6716 -0.2648 C 0 0 0
- 5.5467 -4.7177 -1.7349 C 0 0 0
- 5.5990 -2.3254 -1.3452 C 0 0 0
- -8.3553 2.9431 1.6940 C 0 0 0
- -7.8124 2.5573 -0.6370 C 0 0 0
- 6.2230 -3.4941 -1.7974 C 0 0 0
- -8.5827 3.2023 0.3377 C 0 0 0
- 7.4889 -3.4392 -2.3044 N 0 0 0
- -9.5525 4.0876 -0.0345 N 0 0 0
- 8.1124 -2.3114 -2.3620 N 0 0 0
- -9.7622 4.3265 -1.2847 N 0 0 0
- 9.3742 -2.2567 -2.8673 C 0 0 0
- -10.7287 5.2089 -1.6557 C 0 0 0
- 10.0572 -1.0279 -2.9316 C 0 0 0
- 10.0013 -3.4236 -3.3205 C 0 0 0
- -10.9601 5.4719 -3.0188 C 0 0 0
- -11.5016 5.8550 -0.6834 C 0 0 0
- 11.3420 -0.9852 -3.4485 C 0 0 0
- 9.4463 0.1366 -2.4786 N 0 0 0
- 11.2675 -3.3677 -3.8275 C 0 0 0
- -11.9478 6.3724 -3.3840 C 0 0 0
- -10.2022 4.8315 -3.9934 N 0 0 0
- -12.4717 6.7400 -1.0567 C 0 0 0
- 11.9460 -2.1521 -3.8986 C 0 0 0
- -12.7011 7.0079 -2.4054 C 0 0 0
- 13.2370 -2.1084 -4.4179 N 0 0 0
- -13.6934 7.9125 -2.7732 N 0 0 0
- 19.8468 9.1301 2.4409 Na 0 3 0
- 25.9258 15.0425 4.1987 Na 0 3 0
- -1.3551 -4.6102 0.0000 H 0 0 0
- -3.6495 -3.7642 0.0000 H 0 0 0
- 0.8687 -0.5446 0.0000 H 0 0 0
- -0.7147 -0.0142 0.0000 H 0 0 0
- -2.1407 1.0314 0.0000 H 0 0 0
- 3.8021 -5.6098 0.0000 H 0 0 0
- 3.8246 -1.5610 0.0000 H 0 0 0
- -8.0222 1.3331 0.0000 H 0 0 0
- -6.1491 2.3411 0.0000 H 0 0 0
- 6.0544 -5.5373 0.0000 H 0 0 0
- 6.0769 -1.4880 0.0000 H 0 0 0
- -9.0439 2.2683 0.0000 H 0 0 0
- -7.1776 3.2830 0.0000 H 0 0 0
- 9.5249 -4.2618 0.0000 H 0 0 0
- -12.1358 5.1288 0.0000 H 0 0 0
- 11.8294 -0.1533 0.0000 H 0 0 0
- 9.9617 0.9514 0.0000 H 0 0 0
- 8.4830 0.1756 0.0000 H 0 0 0
- 11.7738 -4.1882 0.0000 H 0 0 0
- -11.3121 7.0972 0.0000 H 0 0 0
- -10.3729 3.8826 0.0000 H 0 0 0
- -9.2951 5.1581 0.0000 H 0 0 0
- -13.1641 6.0691 0.0000 H 0 0 0
- 13.7470 -2.9266 0.0000 H 0 0 0
- 13.6905 -1.2576 0.0000 H 0 0 0
- -13.4871 8.8543 0.0000 H 0 0 0
- -14.6122 7.6202 0.0000 H 0 0 0
- 0.4183 -6.0842 0.0000 H 0 0 0
- -6.2101 -4.4610 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 4 10 1 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 9 14 1 0
- 11 15 1 0
- 12 16 1 0
- 13 17 2 0
- 14 18 2 0
- 15 19 2 0
- 15 20 2 0
- 15 21 1 0
- 16 22 2 0
- 16 23 2 0
- 16 24 1 0
- 17 25 1 0
- 18 26 1 0
- 25 27 2 0
- 25 28 1 0
- 26 29 2 0
- 26 30 1 0
- 27 31 1 0
- 28 32 2 0
- 29 33 1 0
- 30 34 2 0
- 31 35 2 0
- 33 36 2 0
- 35 37 1 0
- 36 38 1 0
- 37 39 2 0
- 38 40 2 0
- 39 41 1 0
- 40 42 1 0
- 41 43 2 0
- 41 44 1 0
- 42 45 2 0
- 42 46 1 0
- 43 47 1 0
- 43 48 1 0
- 44 49 2 0
- 45 50 1 0
- 45 51 1 0
- 46 52 2 0
- 47 53 2 0
- 50 54 2 0
- 53 55 1 0
- 54 56 1 0
- 7 11 2 0
- 9 12 1 0
- 32 35 1 0
- 34 36 1 0
- 49 53 1 0
- 52 54 1 0
- 5 59 1 0
- 6 60 1 0
- 8 61 1 0
- 8 62 1 0
- 10 63 1 0
- 27 64 1 0
- 28 65 1 0
- 29 66 1 0
- 30 67 1 0
- 31 68 1 0
- 32 69 1 0
- 33 70 1 0
- 34 71 1 0
- 44 72 1 0
- 46 73 1 0
- 47 74 1 0
- 48 75 1 0
- 48 76 1 0
- 49 77 1 0
- 50 78 1 0
- 51 79 1 0
- 51 80 1 0
- 52 81 1 0
- 55 82 1 0
- 55 83 1 0
- 56 84 1 0
- 56 85 1 0
- 21 86 1 0
- 24 87 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-650-51-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 9 7 1 V2000
- -1.2868 -0.1075 -0.0689 C 0 0 0
- -2.0837 0.9912 0.5860 C 0 0 0
- 0.0621 -0.6028 1.0201 Cl 0 0 0
- -2.3586 -1.5236 -0.3803 Cl 0 0 0
- -0.6106 0.4892 -1.6301 Cl 0 0 0
- -2.6305 0.7921 1.6622 O 0 0 0
- -2.1837 2.0823 0.0416 O 0 0 0
- 9.5940 0.0624 0.0711 Na 0 3 0
- -2.2677 2.9983 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 1 5 1 0
- 2 6 2 0
- 2 7 1 0
- 7 9 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6533-68-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 54 53 1 V2000
- -10.9151 -2.6322 -1.1445 C 0 0 1
- -11.7694 -2.2647 0.0865 C 0 0 1
- -9.8521 -3.6188 -0.6095 C 0 0 2
- -12.2352 -3.1405 -0.9421 O 0 0 0
- -11.1453 -3.0622 1.2545 C 0 0 1
- -10.4825 -4.2189 0.5960 N 0 0 0
- -8.6493 -2.7926 -0.1274 C 0 0 0
- -10.0358 -2.1957 1.8709 C 0 0 0
- -11.5537 -5.1025 0.1167 C 0 0 0
- -9.1564 -1.6416 0.7463 C 0 0 2
- -9.9326 -0.7225 -0.0668 O 0 0 0
- -9.9727 0.5819 0.2474 C 0 0 0
- -10.7782 1.5358 -0.5965 C 0 0 1
- -9.3628 0.9912 1.2068 O 0 0 0
- -10.6572 2.9288 -0.0344 C 0 0 0
- -10.2498 1.5175 -2.0322 C 0 0 0
- -11.7867 3.6041 0.3881 C 0 0 0
- -9.4156 3.5291 0.0638 C 0 0 0
- -11.0137 2.4221 -2.8324 O 0 0 0
- -11.6756 4.8821 0.9038 C 0 0 0
- -9.3046 4.8067 0.5794 C 0 0 0
- -10.4351 5.4844 0.9967 C 0 0 0
- 4.0089 0.8322 0.2671 O 0 0 0
- 12.6621 0.4990 0.1564 O 0 0 0
- 21.3152 0.1658 0.0456 O 0 0 0
- 29.9683 -0.1674 -0.0651 Br 0 0 0
- -10.3901 -1.8260 0.0000 H 0 0 0
- -12.0883 -1.3570 0.0000 H 0 0 0
- -9.2461 -4.3661 0.0000 H 0 0 0
- -11.9436 -3.5992 0.0000 H 0 0 0
- -8.1550 -3.6180 0.0000 H 0 0 0
- -7.7947 -2.3506 0.0000 H 0 0 0
- -10.1052 -1.2361 0.0000 H 0 0 0
- -10.9152 -1.8054 0.0000 H 0 0 0
- -12.1659 -4.3603 0.0000 H 0 0 0
- -12.2959 -5.7147 0.0000 H 0 0 0
- -10.9415 -5.8447 0.0000 H 0 0 0
- -8.3403 -1.1320 0.0000 H 0 0 0
- -11.6952 1.2448 0.0000 H 0 0 0
- -10.0486 0.5767 0.0000 H 0 0 0
- -9.3860 1.9412 0.0000 H 0 0 0
- -12.6433 3.1661 0.0000 H 0 0 0
- -8.6235 2.9830 0.0000 H 0 0 0
- -11.6344 3.1572 0.0000 H 0 0 0
- -12.4682 5.4275 0.0000 H 0 0 0
- -8.4477 5.2442 0.0000 H 0 0 0
- -10.3928 6.4456 0.0000 H 0 0 0
- 3.0468 0.8322 0.0000 H 0 0 0
- 4.9710 0.8322 0.0000 H 0 0 0
- 11.7000 0.4990 0.0000 H 0 0 0
- 13.6242 0.4990 0.0000 H 0 0 0
- 20.3531 0.1658 0.0000 H 0 0 0
- 22.2773 0.1658 0.0000 H 0 0 0
- 30.9304 -0.1674 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 3 7 1 0
- 5 8 1 0
- 6 9 1 0
- 7 10 1 0
- 10 11 1 0
- 11 12 1 0
- 12 13 1 0
- 12 14 2 0
- 13 15 1 0
- 13 16 1 0
- 15 17 2 0
- 15 18 1 0
- 16 19 1 0
- 17 20 1 0
- 18 21 2 0
- 20 22 2 0
- 2 4 1 0
- 5 6 1 0
- 8 10 1 0
- 21 22 1 0
- 1 27 1 0
- 2 28 1 0
- 3 29 1 0
- 5 30 1 0
- 7 31 1 0
- 7 32 1 0
- 8 33 1 0
- 8 34 1 0
- 9 35 1 0
- 9 36 1 0
- 9 37 1 0
- 10 38 1 0
- 13 39 1 0
- 16 40 1 0
- 16 41 1 0
- 17 42 1 0
- 18 43 1 0
- 19 44 1 0
- 20 45 1 0
- 21 46 1 0
- 22 47 1 0
- 23 48 1 0
- 23 49 1 0
- 24 50 1 0
- 24 51 1 0
- 25 52 1 0
- 25 53 1 0
- 26 54 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-66357-59-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 45 44 1 V2000
- -5.8095 2.2535 -0.6929 C 0 0 0
- -5.2145 1.0564 -0.5633 O 0 0 0
- -5.0686 3.0087 -1.5236 C 0 0 0
- -7.0929 2.6766 -0.0258 C 0 0 0
- -4.0942 1.0307 -1.3036 C 0 0 0
- -3.9629 2.2204 -1.9173 C 0 0 0
- -6.7895 3.2964 1.2710 N 0 0 0
- -3.1450 -0.1334 -1.4256 C 0 0 0
- -7.8694 4.2541 1.5441 C 0 0 0
- -6.8998 2.2362 2.2817 C 0 0 0
- -1.8697 -0.0109 -0.1414 S 0 0 0
- -0.8988 -1.4960 -0.5189 C 0 0 0
- 0.2678 -1.6063 0.4648 C 0 0 0
- 1.0519 -2.8057 0.1599 N 0 0 0
- 2.1693 -3.1182 0.9245 C 0 0 0
- 2.8815 -4.2077 0.6476 C 0 0 0
- 2.5429 -2.2931 1.9783 N 0 0 0
- 2.5735 -5.0062 -0.5609 N 0 3 0
- 3.7210 -2.6226 2.7844 C 0 0 0
- 1.6125 -4.7191 -1.2519 O 0 0 0
- 3.2813 -5.9500 -0.8638 O 0 5 0
- 14.2103 5.5160 -0.2085 Cl 0 0 0
- -5.1473 3.9029 0.0000 H 0 0 0
- -7.9163 3.0341 0.0000 H 0 0 0
- -7.4125 1.8377 0.0000 H 0 0 0
- -3.1435 2.5871 0.0000 H 0 0 0
- -3.9379 -0.5543 0.0000 H 0 0 0
- -2.8867 -0.9931 0.0000 H 0 0 0
- -7.2738 4.9257 0.0000 H 0 0 0
- -8.5410 4.8497 0.0000 H 0 0 0
- -8.4650 3.5825 0.0000 H 0 0 0
- -7.7927 2.3291 0.0000 H 0 0 0
- -6.9927 1.3433 0.0000 H 0 0 0
- -6.0069 2.1433 0.0000 H 0 0 0
- -1.7406 -1.8077 0.0000 H 0 0 0
- -0.7823 -2.3861 0.0000 H 0 0 0
- 1.1096 -1.2946 0.0000 H 0 0 0
- 0.1513 -0.7162 0.0000 H 0 0 0
- 0.5214 -3.5299 0.0000 H 0 0 0
- 3.7742 -4.1132 0.0000 H 0 0 0
- 2.1634 -1.4796 0.0000 H 0 0 0
- 3.4792 -3.4871 0.0000 H 0 0 0
- 4.5855 -2.8644 0.0000 H 0 0 0
- 3.9628 -1.7581 0.0000 H 0 0 0
- 15.1080 5.5160 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 4 7 1 0
- 5 8 1 0
- 7 9 1 0
- 7 10 1 0
- 8 11 1 0
- 11 12 1 0
- 12 13 1 0
- 13 14 1 0
- 14 15 1 0
- 15 16 2 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 2 0
- 18 21 1 0
- 5 6 2 0
- 3 23 1 0
- 4 24 1 0
- 4 25 1 0
- 6 26 1 0
- 8 27 1 0
- 8 28 1 0
- 9 29 1 0
- 9 30 1 0
- 9 31 1 0
- 10 32 1 0
- 10 33 1 0
- 10 34 1 0
- 12 35 1 0
- 12 36 1 0
- 13 37 1 0
- 13 38 1 0
- 14 39 1 0
- 16 40 1 0
- 17 41 1 0
- 19 42 1 0
- 19 43 1 0
- 19 44 1 0
- 22 45 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-6637-88-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 69 70 1 V2000
- -1.5461 -0.6947 -0.6987 C 0 0 0
- -2.9218 -0.1527 -0.7834 C 0 0 0
- -0.5885 -0.0477 0.0848 C 0 0 0
- -1.2095 -1.8555 -1.3979 C 0 0 0
- -3.6009 -0.1613 -2.0034 C 0 0 0
- -3.5404 0.3611 0.3580 C 0 0 0
- 0.6896 -0.5525 0.1626 C 0 0 0
- 0.0579 -2.3587 -1.3225 C 0 0 0
- -4.8695 0.3375 -2.0860 C 0 0 0
- -4.8189 0.8645 0.2779 C 0 0 0
- 1.0240 -1.7125 -0.5441 C 0 0 0
- 1.7261 0.1424 1.0074 C 0 0 0
- -5.4936 0.8592 -0.9477 C 0 0 0
- -5.5980 0.3264 -3.4051 C 0 0 0
- 2.2911 -2.2165 -0.4701 N 0 0 0
- -6.7619 1.3575 -1.0316 N 0 0 0
- 2.5701 -3.3449 -1.0294 N 0 0 0
- -7.3368 1.8384 0.0183 N 0 0 0
- 3.8054 -3.8931 -0.8758 C 0 0 0
- -8.6053 2.3367 -0.0656 C 0 0 0
- 4.2998 -4.1770 0.4089 C 0 0 0
- 4.5957 -4.1857 -2.0011 C 0 0 0
- -9.2253 2.8556 1.0677 C 0 0 0
- -9.2807 2.3309 -1.2949 C 0 0 0
- 5.5612 -4.7359 0.5523 C 0 0 0
- 3.5275 -3.8981 1.5320 N 0 0 0
- 5.8535 -4.7443 -1.8314 C 0 0 0
- 4.1178 -3.9162 -3.2796 N 0 0 0
- -10.5257 3.3653 0.9746 C 0 0 0
- -10.5589 2.8315 -1.3886 C 0 0 0
- 6.3313 -5.0133 -0.5618 C 0 0 0
- 6.1847 -5.0933 2.1610 S 0 0 0
- 6.7034 -5.0592 -3.0354 C 0 0 0
- -11.1939 3.3479 -0.2659 C 0 0 0
- -11.1871 3.9123 2.1579 C 0 0 0
- 6.7033 -3.8662 2.6555 O 0 0 0
- 5.1861 -5.8797 2.7963 O 0 0 0
- 7.3867 -6.0110 1.9896 O 0 0 0
- -12.4520 3.8386 -0.3647 O 0 0 0
- -11.1371 5.2270 2.4050 O 0 0 0
- -11.8429 3.0984 2.9945 O 0 0 0
- 15.4088 8.9876 0.4438 Na 0 3 0
- 21.6752 14.9019 -0.4242 Na 0 3 0
- -0.6833 0.8189 0.0000 H 0 0 0
- -1.8547 -2.4417 0.0000 H 0 0 0
- -3.7578 -1.0188 0.0000 H 0 0 0
- -3.0966 1.1114 0.0000 H 0 0 0
- 0.1500 -3.2256 0.0000 H 0 0 0
- -4.6597 1.7216 0.0000 H 0 0 0
- 2.2115 -0.5817 0.0000 H 0 0 0
- 2.4502 0.6278 0.0000 H 0 0 0
- 1.2407 0.8665 0.0000 H 0 0 0
- -5.6113 1.1981 0.0000 H 0 0 0
- -6.4697 0.3131 0.0000 H 0 0 0
- -5.5847 -0.5453 0.0000 H 0 0 0
- -8.7807 3.6054 0.0000 H 0 0 0
- -9.4388 1.4736 0.0000 H 0 0 0
- 3.3740 -3.0400 0.0000 H 0 0 0
- 2.8611 -4.4601 0.0000 H 0 0 0
- 4.1090 -3.0445 0.0000 H 0 0 0
- 3.3673 -4.3597 0.0000 H 0 0 0
- -10.9981 2.0785 0.0000 H 0 0 0
- 7.1240 -5.3761 0.0000 H 0 0 0
- 6.4005 -5.8766 0.0000 H 0 0 0
- 7.5208 -5.3621 0.0000 H 0 0 0
- 7.0063 -4.2418 0.0000 H 0 0 0
- -13.2642 4.1554 0.0000 H 0 0 0
- 8.0796 -6.5400 0.0000 H 0 0 0
- -12.3899 2.4196 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 7 12 1 0
- 9 13 1 0
- 9 14 1 0
- 11 15 1 0
- 13 16 1 0
- 15 17 2 0
- 16 18 2 0
- 17 19 1 0
- 18 20 1 0
- 19 21 2 0
- 19 22 1 0
- 20 23 2 0
- 20 24 1 0
- 21 25 1 0
- 21 26 1 0
- 22 27 2 0
- 22 28 1 0
- 23 29 1 0
- 24 30 2 0
- 25 31 2 0
- 25 32 1 0
- 27 33 1 0
- 29 34 2 0
- 29 35 1 0
- 32 36 2 0
- 32 37 2 0
- 32 38 1 0
- 34 39 1 0
- 35 40 2 0
- 35 41 1 0
- 8 11 1 0
- 10 13 2 0
- 27 31 1 0
- 30 34 1 0
- 3 44 1 0
- 4 45 1 0
- 5 46 1 0
- 6 47 1 0
- 8 48 1 0
- 10 49 1 0
- 12 50 1 0
- 12 51 1 0
- 12 52 1 0
- 14 53 1 0
- 14 54 1 0
- 14 55 1 0
- 23 56 1 0
- 24 57 1 0
- 26 58 1 0
- 26 59 1 0
- 28 60 1 0
- 28 61 1 0
- 30 62 1 0
- 31 63 1 0
- 33 64 1 0
- 33 65 1 0
- 33 66 1 0
- 39 67 1 0
- 38 68 1 0
- 41 69 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-668-17-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 77 81 1 V2000
- 0.1123 -0.5190 -0.4049 C 0 0 0
- -0.3691 -1.6268 0.2530 C 0 0 0
- 1.5538 -0.3869 -0.8241 C 0 0 2
- -0.7455 0.5440 -0.7047 C 0 0 0
- 0.5040 -2.8056 0.5997 C 0 0 2
- -1.7100 -1.6916 0.6234 C 0 0 0
- 2.2417 -1.7503 -0.8228 C 0 0 0
- 2.2309 0.4830 0.0852 O 0 0 0
- -2.0900 0.4903 -0.3365 C 0 0 0
- -0.2677 1.6329 -1.3563 O 0 0 0
- 1.9801 -2.4209 0.5311 C 0 0 2
- 0.2331 -3.9319 -0.3641 C 0 0 0
- -2.5769 -0.6475 0.3331 C 0 0 0
- 2.5050 1.6917 -0.6261 C 0 0 1
- -2.9975 1.6086 -0.6502 C 0 0 0
- 2.8463 -3.6755 0.6609 C 0 0 0
- 2.2900 -1.5105 1.5881 O 0 0 0
- 0.2805 -5.2045 0.0603 O 0 0 0
- -0.0267 -3.6896 -1.5190 O 0 0 0
- -3.9992 -0.7203 0.7278 C 0 0 0
- 3.1025 2.7238 0.3330 C 0 0 0
- 3.4256 1.4235 -1.6821 O 0 0 0
- -4.4150 1.5381 -0.2535 C 0 0 0
- -2.5770 2.5884 -1.2353 O 0 0 0
- 4.3124 -3.2685 0.8213 C 0 0 0
- 0.1312 -6.2926 -0.8894 C 0 0 0
- -4.9060 0.3966 0.4118 C 0 0 0
- -4.4200 -1.7002 1.3117 O 0 0 0
- 4.3887 2.1538 0.9418 C 0 0 1
- 4.5491 0.7524 -1.1150 C 0 0 2
- -5.2815 2.5937 -0.5453 C 0 0 0
- -6.2523 0.3379 0.7805 C 0 0 0
- 5.3140 1.7075 -0.1959 C 0 0 2
- 5.0564 3.1931 1.7369 N 0 0 0
- 5.4744 0.2717 -2.2347 C 0 0 0
- -6.6206 2.5182 -0.1659 C 0 0 0
- -4.8206 3.6907 -1.1962 O 0 0 0
- -7.1022 1.4000 0.4771 C 0 0 0
- -6.7313 -0.7508 1.4319 O 0 0 0
- 6.4504 1.0351 0.3503 O 0 0 0
- 5.2224 4.3569 0.8561 C 0 0 0
- 4.1121 3.5914 2.7892 C 0 0 0
- 1.1073 0.4297 0.0000 H 0 0 0
- -0.4081 -2.9912 0.0000 H 0 0 0
- -2.0851 -2.5434 0.0000 H 0 0 0
- 3.0015 -2.2879 0.0000 H 0 0 0
- 2.9469 -1.1428 0.0000 H 0 0 0
- 0.1063 2.4852 0.0000 H 0 0 0
- 1.6385 2.0316 0.0000 H 0 0 0
- 2.0264 -4.1161 0.0000 H 0 0 0
- 3.1932 -4.5392 0.0000 H 0 0 0
- 2.5899 -0.6294 0.0000 H 0 0 0
- 3.5099 3.5607 0.0000 H 0 0 0
- 2.2808 3.1609 0.0000 H 0 0 0
- 4.5614 -4.1653 0.0000 H 0 0 0
- 5.2092 -3.0195 0.0000 H 0 0 0
- 4.0634 -2.3717 0.0000 H 0 0 0
- -0.7909 -6.1661 0.0000 H 0 0 0
- 0.0047 -7.2147 0.0000 H 0 0 0
- 1.0533 -6.4191 0.0000 H 0 0 0
- 3.9979 1.3091 0.0000 H 0 0 0
- 4.0957 -0.0605 0.0000 H 0 0 0
- 5.7536 2.5279 0.0000 H 0 0 0
- 5.0453 -0.5542 0.0000 H 0 0 0
- 6.3003 -0.1574 0.0000 H 0 0 0
- 5.9035 1.0976 0.0000 H 0 0 0
- -7.1540 3.2810 0.0000 H 0 0 0
- -4.4601 4.5488 0.0000 H 0 0 0
- -8.0246 1.2756 0.0000 H 0 0 0
- -7.1061 -1.6027 0.0000 H 0 0 0
- 7.2514 0.5611 0.0000 H 0 0 0
- 6.1438 4.2255 0.0000 H 0 0 0
- 5.3538 5.2783 0.0000 H 0 0 0
- 4.3010 4.4883 0.0000 H 0 0 0
- 4.4738 4.4490 0.0000 H 0 0 0
- 3.2545 3.9531 0.0000 H 0 0 0
- 3.7504 2.7338 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 4 10 1 0
- 5 11 1 0
- 5 12 1 0
- 6 13 1 0
- 14 8 1 0
- 9 15 1 0
- 11 16 1 0
- 11 17 1 0
- 12 18 1 0
- 12 19 2 0
- 13 20 1 0
- 14 21 1 0
- 14 22 1 0
- 15 23 1 0
- 15 24 2 0
- 16 25 1 0
- 18 26 1 0
- 20 27 1 0
- 20 28 2 0
- 21 29 1 0
- 22 30 1 0
- 23 31 1 0
- 27 32 1 0
- 29 33 1 0
- 29 34 1 0
- 30 35 1 0
- 31 36 2 0
- 31 37 1 0
- 32 38 2 0
- 32 39 1 0
- 33 40 1 0
- 34 41 1 0
- 34 42 1 0
- 7 11 1 0
- 9 13 2 0
- 23 27 2 0
- 30 33 1 0
- 36 38 1 0
- 3 43 1 0
- 5 44 1 0
- 6 45 1 0
- 7 46 1 0
- 7 47 1 0
- 10 48 1 0
- 14 49 1 0
- 16 50 1 0
- 16 51 1 0
- 17 52 1 0
- 21 53 1 0
- 21 54 1 0
- 25 55 1 0
- 25 56 1 0
- 25 57 1 0
- 26 58 1 0
- 26 59 1 0
- 26 60 1 0
- 29 61 1 0
- 30 62 1 0
- 33 63 1 0
- 35 64 1 0
- 35 65 1 0
- 35 66 1 0
- 36 67 1 0
- 37 68 1 0
- 38 69 1 0
- 39 70 1 0
- 40 71 1 0
- 41 72 1 0
- 41 73 1 0
- 41 74 1 0
- 42 75 1 0
- 42 76 1 0
- 42 77 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-67199-66-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 33 1 V2000
- 0.1268 0.3306 0.0035 C 0 0 0
- -0.1793 -1.0038 0.0003 N 0 0 0
- 1.5984 0.4949 0.0024 C 0 0 0
- -0.8096 1.2583 0.0019 N 0 0 0
- -1.4669 -1.4229 0.0005 C 0 0 0
- 1.0698 -1.7758 -0.0030 C 0 0 0
- 2.1914 -0.7689 -0.0015 C 0 0 0
- 2.4049 1.6372 0.0041 C 0 0 0
- -2.1207 0.9590 -0.0029 C 0 0 0
- -2.5187 -0.3975 0.0042 C 0 0 0
- -1.7433 -2.6084 -0.0027 O 0 0 0
- 3.5601 -0.8938 -0.0029 C 0 0 0
- 3.7755 1.5086 0.0019 C 0 0 0
- -3.1008 1.9568 -0.0049 C 0 0 0
- -3.8723 -0.7276 0.0043 C 0 0 0
- 4.3605 0.2457 -0.0004 C 0 0 0
- -4.4224 1.6113 -0.0102 C 0 0 0
- -4.8138 0.2787 0.0074 C 0 0 0
- 5.7471 0.1215 -0.0013 N 0 0 0
- 0.4390 -2.6077 0.0000 H 0 0 0
- 1.8379 -2.4828 0.0000 H 0 0 0
- 1.9685 2.5856 0.0000 H 0 0 0
- 3.9988 -1.8411 0.0000 H 0 0 0
- 4.3781 2.3611 0.0000 H 0 0 0
- -2.8230 2.9632 0.0000 H 0 0 0
- -4.1706 -1.7281 0.0000 H 0 0 0
- -5.1495 2.3605 0.0000 H 0 0 0
- -5.8295 0.0374 0.0000 H 0 0 0
- 6.1864 -0.8256 0.0000 H 0 0 0
- 6.3477 0.9754 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 7 12 1 0
- 8 13 2 0
- 9 14 1 0
- 10 15 1 0
- 12 16 2 0
- 14 17 2 0
- 15 18 2 0
- 16 19 1 0
- 6 7 1 0
- 9 10 2 0
- 13 16 1 0
- 17 18 1 0
- 6 20 1 0
- 6 21 1 0
- 8 22 1 0
- 12 23 1 0
- 13 24 1 0
- 14 25 1 0
- 15 26 1 0
- 17 27 1 0
- 18 28 1 0
- 19 29 1 0
- 19 30 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-68884-32-2
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 28 1 V2000
- 0.4661 -0.5590 0.4309 C 0 0 0
- -0.7144 0.1698 0.2087 C 0 0 0
- 1.7387 0.1561 0.8051 C 0 0 0
- 0.4529 -1.9150 0.3119 C 0 0 0
- -1.9016 -0.5206 -0.1419 C 0 0 0
- -0.7413 1.5700 0.3278 C 0 0 0
- 2.5095 0.5233 -0.4645 C 0 0 0
- -0.7155 -2.5941 -0.0275 C 0 0 0
- -1.8751 -1.9203 -0.2605 C 0 0 0
- -3.0827 0.2083 -0.3637 C 0 0 0
- -1.9034 2.2424 0.1055 C 0 0 0
- 3.8016 1.2494 -0.0847 C 0 0 0
- 3.7802 -0.1303 -0.4562 O 0 0 0
- -3.0709 1.5635 -0.2393 C 0 0 0
- 1.7971 1.1869 0.0000 H 0 0 0
- 0.8627 0.7025 0.0000 H 0 0 0
- 1.3453 -2.4343 0.0000 H 0 0 0
- 0.1481 2.0944 0.0000 H 0 0 0
- 2.0343 1.4399 0.0000 H 0 0 0
- -0.7154 -3.6266 0.0000 H 0 0 0
- -2.7650 -2.4437 0.0000 H 0 0 0
- -3.9865 -0.2908 0.0000 H 0 0 0
- -1.9045 3.2749 0.0000 H 0 0 0
- 4.8208 1.4142 0.0000 H 0 0 0
- 3.4610 2.2241 0.0000 H 0 0 0
- -3.9636 2.0822 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 2 0
- 5 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 1 0
- 7 13 1 0
- 10 14 2 0
- 8 9 1 0
- 11 14 1 0
- 12 13 1 0
- 3 15 1 0
- 3 16 1 0
- 4 17 1 0
- 6 18 1 0
- 7 19 1 0
- 8 20 1 0
- 9 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 12 25 1 0
- 14 26 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-69-74-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 32 32 1 V2000
- -1.7627 -0.9742 0.4785 C 0 0 2
- -2.7781 0.0486 0.2157 N 0 0 0
- -0.7285 -0.4205 1.3210 O 0 0 0
- -1.0448 -1.3380 -0.8401 C 0 0 2
- -3.8594 -0.2565 -0.5249 C 0 0 0
- -2.6254 1.3024 0.7270 C 0 0 0
- 0.4312 -1.2512 1.0957 C 0 0 1
- 0.4316 -1.5245 -0.4247 C 0 0 1
- -1.1478 -0.2456 -1.7555 O 0 0 0
- -4.7975 0.6539 -0.7797 N 0 0 0
- -3.9822 -1.3854 -0.9706 O 0 0 0
- -3.5707 2.2391 0.4771 C 0 0 0
- 1.6949 -0.4766 1.4750 C 0 0 0
- 0.8271 -2.8763 -0.6656 O 0 0 0
- -4.6888 1.8888 -0.3074 C 0 0 0
- 1.6518 -0.1459 2.8645 O 0 0 0
- -5.6638 2.8210 -0.5774 N 0 0 0
- 11.8373 1.0298 -0.6377 Cl 0 0 0
- -2.3149 -1.7331 0.0000 H 0 0 0
- -1.3198 -2.2353 0.0000 H 0 0 0
- -1.7389 1.6104 0.0000 H 0 0 0
- -0.4033 -1.6807 0.0000 H 0 0 0
- 1.3605 -1.3907 0.0000 H 0 0 0
- -1.2359 0.6888 0.0000 H 0 0 0
- -3.3489 3.1510 0.0000 H 0 0 0
- 2.0688 -1.3374 0.0000 H 0 0 0
- 2.5995 -0.2265 0.0000 H 0 0 0
- 1.0906 -3.7771 0.0000 H 0 0 0
- 1.5305 0.7848 0.0000 H 0 0 0
- -5.4413 3.7328 0.0000 H 0 0 0
- -6.5647 2.5578 0.0000 H 0 0 0
- 12.7758 1.0298 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 2 0
- 13 16 1 0
- 15 17 1 0
- 7 8 1 0
- 12 15 1 0
- 1 19 1 0
- 4 20 1 0
- 6 21 1 0
- 7 22 1 0
- 8 23 1 0
- 9 24 1 0
- 12 25 1 0
- 13 26 1 0
- 13 27 1 0
- 14 28 1 0
- 16 29 1 0
- 17 30 1 0
- 17 31 1 0
- 18 32 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-69245-38-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
-112118 1 V2000
- -4.4116 1.6153 -0.1786 C 0 0 0
- -3.4430 0.8289 0.4005 C 0 0 0
- -4.1783 3.0631 -0.5269 C 0 0 2
- -5.6672 1.0832 -0.4605 C 0 0 0
- -2.0653 1.3463 0.7248 C 0 0 2
- -3.7190 -0.5070 0.7089 C 0 0 0
- -2.6836 3.3733 -0.5654 C 0 0 2
- -4.8471 3.9408 0.4995 C 0 0 0
- -5.9603 -0.2394 -0.1600 C 0 0 0
- -2.0533 2.8732 0.7399 C 0 0 0
- -1.1423 0.8778 -0.2604 O 0 0 0
- -4.9729 -1.0508 0.4291 C 0 0 0
- -2.7624 -1.2781 1.2825 O 0 0 0
- -2.4736 4.8834 -0.6938 C 0 0 0
- -2.0821 2.7073 -1.6774 O 0 0 0
- -5.3058 5.1528 0.1496 O 0 0 0
- -4.9705 3.5535 1.6373 O 0 0 0
- -7.2946 -0.7991 -0.4604 C 0 0 0
- -0.2278 0.0086 0.4105 C 0 0 1
- -5.2687 -2.4584 0.7514 C 0 0 0
- -0.9940 5.1721 -0.9552 C 0 0 0
- -6.0687 5.9424 1.0998 C 0 0 0
- -7.5906 -2.2046 -0.1339 C 0 0 0
- -8.1462 -0.1009 -0.9757 O 0 0 0
- 0.5316 -0.8279 -0.6219 C 0 0 0
- 0.6928 0.7853 1.1745 O 0 0 0
- -6.5983 -3.0177 0.4499 C 0 0 0
- -4.4163 -3.1574 1.2653 O 0 0 0
- -8.8495 -2.7427 -0.4122 C 0 0 0
- 1.2813 0.1123 -1.5725 C 0 0 1
- 1.2654 1.7574 0.3019 C 0 0 2
- -6.8873 -4.3503 0.7517 C 0 0 0
- -9.1201 -4.0736 -0.0994 C 0 0 0
- -9.8062 -1.9716 -0.9859 O 0 0 0
- 2.1470 1.0640 -0.7393 C 0 0 1
- 2.1408 -0.6770 -2.4648 N 0 0 0
- 2.1125 2.7374 1.1161 C 0 0 0
- -8.1478 -4.8703 0.4627 C 0 0 0
- -5.9429 -5.1372 1.3247 O 0 0 0
- 3.1710 0.3195 -0.0766 O 0 0 0
- 1.2473 -1.4167 -3.3662 C 0 0 0
- 2.8798 0.2822 -3.2965 C 0 0 0
- 4.4174 0.9141 -0.4438 C 0 0 1
- 5.2888 1.0834 0.8028 C 0 0 0
- 5.0829 0.0782 -1.3886 O 0 0 0
- 5.5158 -0.2904 1.4437 C 0 0 1
- 5.1451 -1.2347 -0.8347 C 0 0 2
- 6.0760 -1.2414 0.3800 C 0 0 1
- 6.4543 -0.1674 2.5143 O 0 0 0
- 5.6753 -2.2085 -1.8890 C 0 0 0
- 7.3770 -0.8012 -0.0147 O 0 0 0
- 8.3174 -1.6665 0.6249 C 0 0 1
- 9.2966 -2.1862 -0.3958 C 0 0 0
- 9.0116 -0.9458 1.6417 O 0 0 0
- 10.4183 -1.4713 -0.6722 C 0 0 0
- 9.0589 -3.3650 -1.0367 N 0 0 0
- 9.6121 0.1941 1.0269 C 0 0 2
- 10.6297 -0.2608 0.0106 C 0 0 0
- 10.3028 1.0449 2.0946 C 0 0 0
- 11.6183 0.4093 -0.2144 O 0 0 0
- -5.0893 2.8347 0.0000 H 0 0 0
- -6.3892 1.6840 0.0000 H 0 0 0
- -2.1171 0.4085 0.0000 H 0 0 0
- -1.1385 2.6602 0.0000 H 0 0 0
- -1.6450 3.7190 0.0000 H 0 0 0
- -2.0311 -1.8676 0.0000 H 0 0 0
- -2.5509 5.8195 0.0000 H 0 0 0
- -3.4125 4.9096 0.0000 H 0 0 0
- -1.4526 2.0103 0.0000 H 0 0 0
- -0.8995 -0.6479 0.0000 H 0 0 0
- -0.8141 4.2502 0.0000 H 0 0 0
- -0.0721 5.3520 0.0000 H 0 0 0
- -1.1739 6.0940 0.0000 H 0 0 0
- -5.3932 6.5950 0.0000 H 0 0 0
- -6.7213 6.6179 0.0000 H 0 0 0
- -6.7442 5.2898 0.0000 H 0 0 0
- -0.1291 -1.4955 0.0000 H 0 0 0
- 1.2336 -1.4519 0.0000 H 0 0 0
- 0.5663 0.7214 0.0000 H 0 0 0
- 0.5024 2.3051 0.0000 H 0 0 0
- -10.0050 -4.3885 0.0000 H 0 0 0
- -10.5375 -1.3822 0.0000 H 0 0 0
- 2.7136 1.8131 0.0000 H 0 0 0
- 2.8231 2.1232 0.0000 H 0 0 0
- 2.7267 3.4480 0.0000 H 0 0 0
- 1.4019 3.3516 0.0000 H 0 0 0
- -8.2859 -5.7993 0.0000 H 0 0 0
- -5.2213 -5.7384 0.0000 H 0 0 0
- 0.6483 -0.6932 0.0000 H 0 0 0
- 0.5238 -2.0157 0.0000 H 0 0 0
- 1.8463 -2.1402 0.0000 H 0 0 0
- 3.6238 -0.2910 0.0000 H 0 0 0
- 3.4530 1.0262 0.0000 H 0 0 0
- 2.1358 0.8554 0.0000 H 0 0 0
- 4.1233 1.8061 0.0000 H 0 0 0
- 6.2140 1.2452 0.0000 H 0 0 0
- 5.1183 2.0070 0.0000 H 0 0 0
- 4.6329 -0.6107 0.0000 H 0 0 0
- 4.2406 -1.4879 0.0000 H 0 0 0
- 6.2252 -2.1687 0.0000 H 0 0 0
- 7.3856 -0.0453 0.0000 H 0 0 0
- 4.8504 -2.6576 0.0000 H 0 0 0
- 6.1244 -3.0334 0.0000 H 0 0 0
- 6.5002 -1.7594 0.0000 H 0 0 0
- 7.7748 -2.4332 0.0000 H 0 0 0
- 11.1997 -1.9924 0.0000 H 0 0 0
- 8.1687 -3.6646 0.0000 H 0 0 0
- 9.7634 -3.9861 0.0000 H 0 0 0
- 8.8282 0.7115 0.0000 H 0 0 0
- 11.0320 0.4529 0.0000 H 0 0 0
- 10.8948 1.7741 0.0000 H 0 0 0
- 9.5736 1.6369 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 1 0
- 6 12 1 0
- 6 13 1 0
- 7 14 1 0
- 7 15 1 0
- 8 16 1 0
- 8 17 2 0
- 9 18 1 0
- 19 11 1 0
- 12 20 1 0
- 14 21 1 0
- 16 22 1 0
- 18 23 1 0
- 18 24 2 0
- 19 25 1 0
- 19 26 1 0
- 20 27 1 0
- 20 28 2 0
- 23 29 1 0
- 25 30 1 0
- 26 31 1 0
- 27 32 1 0
- 29 33 2 0
- 29 34 1 0
- 30 35 1 0
- 30 36 1 0
- 31 37 1 0
- 32 38 2 0
- 32 39 1 0
- 35 40 1 0
- 36 41 1 0
- 36 42 1 0
- 43 40 1 0
- 43 44 1 0
- 43 45 1 0
- 44 46 1 0
- 45 47 1 0
- 46 48 1 0
- 46 49 1 0
- 47 50 1 0
- 48 51 1 0
- 52 51 1 0
- 52 53 1 0
- 52 54 1 0
- 53 55 2 0
- 53 56 1 0
- 54 57 1 0
- 55 58 1 0
- 57 59 1 0
- 58 60 2 0
- 7 10 1 0
- 9 12 2 0
- 23 27 2 0
- 31 35 1 0
- 33 38 1 0
- 47 48 1 0
- 57 58 1 0
- 3 61 1 0
- 4 62 1 0
- 5 63 1 0
- 10 64 1 0
- 10 65 1 0
- 13 66 1 0
- 14 67 1 0
- 14 68 1 0
- 15 69 1 0
- 19 70 1 0
- 21 71 1 0
- 21 72 1 0
- 21 73 1 0
- 22 74 1 0
- 22 75 1 0
- 22 76 1 0
- 25 77 1 0
- 25 78 1 0
- 30 79 1 0
- 31 80 1 0
- 33 81 1 0
- 34 82 1 0
- 35 83 1 0
- 37 84 1 0
- 37 85 1 0
- 37 86 1 0
- 38 87 1 0
- 39 88 1 0
- 41 89 1 0
- 41 90 1 0
- 41 91 1 0
- 42 92 1 0
- 42 93 1 0
- 42 94 1 0
- 43 95 1 0
- 44 96 1 0
- 44 97 1 0
- 46 98 1 0
- 47 99 1 0
- 48100 1 0
- 49101 1 0
- 50102 1 0
- 50103 1 0
- 50104 1 0
- 52105 1 0
- 55106 1 0
- 56107 1 0
- 56108 1 0
- 57109 1 0
- 59110 1 0
- 59111 1 0
- 59112 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-70-18-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 37 36 1 V2000
- -1.3560 -1.0901 0.0003 C 0 0 1
- -2.0281 0.1996 0.3951 C 0 0 0
- -0.0250 -1.1535 0.6093 N 0 0 0
- -2.1961 -2.2727 0.4867 C 0 0 0
- -3.2693 0.4768 -0.0511 N 0 0 0
- -1.4521 0.9882 1.1142 O 0 0 0
- 1.0249 -0.5720 -0.0039 C 0 0 0
- -1.5117 -3.8151 -0.1790 S 0 0 0
- -3.9227 1.7306 0.3326 C 0 0 0
- 2.3684 -0.5328 0.6777 C 0 0 0
- 0.8885 -0.0803 -1.1041 O 0 0 0
- -5.2918 1.7957 -0.2938 C 0 0 0
- 3.3782 0.1774 -0.2261 C 0 0 0
- -6.0781 2.8622 -0.0789 O 0 0 0
- -5.6817 0.8880 -0.9894 O 0 0 0
- 4.7422 0.2172 0.4658 C 0 0 1
- 5.7368 0.9167 -0.4244 C 0 0 0
- 4.6257 0.9451 1.7365 N 0 0 0
- 6.4576 0.2109 -1.3099 O 0 0 0
- 5.8855 2.1129 -0.3410 O 0 0 0
- -0.9387 -1.9478 0.0000 H 0 0 0
- 0.1916 -2.0824 0.0000 H 0 0 0
- -2.8633 -1.5910 0.0000 H 0 0 0
- -2.9854 -2.8082 0.0000 H 0 0 0
- -3.8504 -0.2796 0.0000 H 0 0 0
- -1.1248 -4.6870 0.0000 H 0 0 0
- -3.0127 2.0165 0.0000 H 0 0 0
- -4.0449 2.6766 0.0000 H 0 0 0
- 2.0867 -1.4441 0.0000 H 0 0 0
- 3.1398 -1.0939 0.0000 H 0 0 0
- 3.6599 1.0887 0.0000 H 0 0 0
- 2.6068 0.7385 0.0000 H 0 0 0
- -6.6441 3.6299 0.0000 H 0 0 0
- 5.0432 -0.6879 0.0000 H 0 0 0
- 5.3660 1.5466 0.0000 H 0 0 0
- 3.7347 1.2855 0.0000 H 0 0 0
- 7.1391 -0.4564 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 4 8 1 0
- 5 9 1 0
- 7 10 1 0
- 7 11 2 0
- 9 12 1 0
- 10 13 1 0
- 12 14 1 0
- 12 15 2 0
- 13 16 1 0
- 16 17 1 0
- 16 18 1 0
- 17 19 1 0
- 17 20 2 0
- 1 21 1 0
- 3 22 1 0
- 4 23 1 0
- 4 24 1 0
- 5 25 1 0
- 8 26 1 0
- 9 27 1 0
- 9 28 1 0
- 10 29 1 0
- 10 30 1 0
- 13 31 1 0
- 13 32 1 0
- 14 33 1 0
- 16 34 1 0
- 18 35 1 0
- 18 36 1 0
- 19 37 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-71-33-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 11 11 1 V2000
- -2.3214 0.9491 -0.0005 O 0 0 0
- -1.1485 0.2746 -0.0012 C 0 0 0
- -0.0001 0.9394 0.0005 N 0 0 0
- -1.1453 -1.0545 0.0019 N 0 0 0
- 1.1485 0.2745 -0.0002 C 0 0 0
- 0.0000 -1.7139 0.0011 C 0 0 0
- 2.3214 0.9491 0.0011 O 0 0 0
- 1.1455 -1.0543 -0.0027 N 0 0 0
- -3.1848 1.4456 0.0000 H 0 0 0
- 0.0000 -2.7099 0.0000 H 0 0 0
- 3.1848 1.4457 0.0000 H 0 0 0
- 2 1 1 0
- 3 2 2 0
- 4 2 1 0
- 5 3 1 0
- 6 4 2 0
- 7 5 1 0
- 8 5 2 0
- 6 8 1 0
- 1 9 1 0
- 6 10 1 0
- 7 11 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-71376-34-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 10 9 1 V2000
- -2.0887 0.6897 -0.0395 C 0 0 0
- -2.9850 -0.4305 0.3514 C 0 0 0
- -1.1221 -0.3177 -0.5510 C 0 0 0
- -2.1304 1.9015 0.0259 O 0 0 0
- -2.0220 -1.3213 -0.1537 C 0 0 0
- -4.1891 -0.5424 0.9332 O 0 0 0
- 0.0845 -0.2835 -1.1380 O 0 0 0
- 8.6323 -0.0278 0.3297 Na 0 3 0
- -1.9761 -2.3041 0.0000 H 0 0 0
- 1.0680 -0.2556 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 2 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 5 2 0
- 5 9 1 0
- 7 10 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-72-17-3
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 13 11 1 V2000
- -1.7564 -0.6003 -0.3342 C 0 0 0
- -2.6427 0.5919 -0.0804 C 0 0 0
- -0.6117 -0.6101 0.6809 C 0 0 0
- -2.5217 -1.7997 -0.2007 O 0 0 0
- -2.1803 1.7227 -0.1454 O 0 0 0
- -3.8245 0.4289 0.1907 O 0 0 0
- 8.5517 0.0782 -0.0310 Na 0 3 0
- -1.3414 0.2166 0.0000 H 0 0 0
- -0.6195 -1.5263 0.0000 H 0 0 0
- 0.3045 -0.6179 0.0000 H 0 0 0
- -0.6039 0.3061 0.0000 H 0 0 0
- -3.0146 -2.5721 0.0000 H 0 0 0
- -4.7322 0.3037 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 3 11 1 0
- 4 12 1 0
- 6 13 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7336-20-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 40 39 1 V2000
- -1.4448 -3.0718 0.1219 C 0 0 0
- -2.2692 -1.9871 -0.1911 C 0 0 0
- 0.0697 -2.8090 0.9832 S 0 0 0
- -1.8209 -4.3471 -0.2389 C 0 0 0
- -1.8736 -0.6224 0.1978 C 0 0 0
- -3.4701 -2.2008 -0.8748 C 0 0 0
- 1.0175 -2.4359 -0.0075 O 0 0 0
- -0.2668 -2.0407 2.1303 O 0 0 0
- 0.5330 -4.1592 1.5112 O 0 0 0
- -3.0187 -4.5561 -0.9136 C 0 0 0
- -2.6672 0.4187 -0.1039 C 0 0 0
- -3.8363 -3.4781 -1.2371 C 0 0 0
- -3.3958 -5.8493 -1.2777 N 0 0 0
- -2.2715 1.7834 0.2850 C 0 0 0
- -3.0962 2.8684 -0.0281 C 0 0 0
- -1.0735 1.9965 0.9732 C 0 0 0
- -4.6112 2.6055 -0.8884 S 0 0 0
- -2.7228 4.1427 0.3372 C 0 0 0
- -0.7070 3.2742 1.3351 C 0 0 0
- -4.2659 2.5320 -2.2648 O 0 0 0
- -5.3002 1.5996 -0.1584 O 0 0 0
- -5.4451 3.8698 -0.7381 O 0 0 0
- -1.5271 4.3513 1.0168 C 0 0 0
- -1.1521 5.6440 1.3847 N 0 0 0
- 13.3671 0.4312 0.1914 Na 0 3 0
- 21.9031 1.1654 -1.0729 Na 0 3 0
- -1.1571 -5.0913 0.0000 H 0 0 0
- -0.8933 -0.4394 0.0000 H 0 0 0
- -4.1380 -1.4603 0.0000 H 0 0 0
- -3.6475 0.2357 0.0000 H 0 0 0
- -4.8165 -3.6614 0.0000 H 0 0 0
- -4.3645 -6.0862 0.0000 H 0 0 0
- -2.7063 -6.5697 0.0000 H 0 0 0
- -0.4057 1.2559 0.0000 H 0 0 0
- -3.3872 4.8863 0.0000 H 0 0 0
- 0.2731 3.4583 0.0000 H 0 0 0
- -0.1838 5.8823 0.0000 H 0 0 0
- -1.8426 6.3635 0.0000 H 0 0 0
- 0.8567 -5.1024 0.0000 H 0 0 0
- -5.9942 4.7022 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 2 0
- 3 9 1 0
- 4 10 2 0
- 5 11 2 0
- 6 12 2 0
- 10 13 1 0
- 11 14 1 0
- 14 15 1 0
- 14 16 2 0
- 15 17 1 0
- 15 18 2 0
- 16 19 1 0
- 17 20 2 0
- 17 21 2 0
- 17 22 1 0
- 18 23 1 0
- 23 24 1 0
- 10 12 1 0
- 19 23 2 0
- 4 27 1 0
- 5 28 1 0
- 6 29 1 0
- 11 30 1 0
- 12 31 1 0
- 13 32 1 0
- 13 33 1 0
- 16 34 1 0
- 18 35 1 0
- 19 36 1 0
- 24 37 1 0
- 24 38 1 0
- 9 39 1 0
- 22 40 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-7570-86-7
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 29 31 1 V2000
- 0.9423 0.8257 0.6935 C 0 0 2
- 0.1322 1.0569 -0.5836 C 0 0 2
- 0.9514 2.0736 -0.0028 O 0 0 0
- 2.1947 0.0561 0.3615 C 0 0 0
- -1.3099 1.3081 -0.2252 C 0 0 0
- 3.3525 0.7320 0.0255 C 0 0 0
- 2.1870 -1.3260 0.3986 C 0 0 0
- -2.2507 0.1808 -0.1264 C 0 0 0
- -1.6950 2.4391 -0.0182 O 0 0 0
- 4.5014 0.0259 -0.2792 C 0 0 0
- 3.3356 -2.0318 0.0942 C 0 0 0
- -3.5895 0.4097 0.2059 C 0 0 0
- -1.8116 -1.1247 -0.3700 C 0 0 0
- 4.4922 -1.3558 -0.2476 C 0 0 0
- -4.4649 -0.6520 0.2966 C 0 0 0
- -2.6990 -2.1755 -0.2754 C 0 0 0
- -4.0215 -1.9413 0.0597 C 0 0 0
- 0.5320 -0.1067 0.0000 H 0 0 0
- -0.0953 0.0640 0.0000 H 0 0 0
- 3.3640 1.7506 0.0000 H 0 0 0
- 1.2965 -1.8207 0.0000 H 0 0 0
- 5.3922 0.5201 0.0000 H 0 0 0
- 3.3244 -3.0504 0.0000 H 0 0 0
- -3.9445 1.3645 0.0000 H 0 0 0
- -0.8110 -1.3155 0.0000 H 0 0 0
- 5.3741 -1.8657 0.0000 H 0 0 0
- -5.4673 -0.4705 0.0000 H 0 0 0
- -2.3525 -3.1334 0.0000 H 0 0 0
- -4.6835 -2.7155 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 4 6 2 0
- 4 7 1 0
- 5 8 1 0
- 5 9 2 0
- 6 10 1 0
- 7 11 2 0
- 8 12 2 0
- 8 13 1 0
- 10 14 2 0
- 12 15 1 0
- 13 16 2 0
- 15 17 2 0
- 2 3 1 0
- 11 14 1 0
- 16 17 1 0
- 1 18 1 0
- 2 19 1 0
- 6 20 1 0
- 7 21 1 0
- 10 22 1 0
- 11 23 1 0
- 12 24 1 0
- 13 25 1 0
- 14 26 1 0
- 15 27 1 0
- 16 28 1 0
- 17 29 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-79-92-5
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 26 27 1 V2000
- 0.4900 -1.1854 -0.4501 C 0 0 1
- -0.8309 -0.4995 0.0143 C 0 0 0
- 1.0481 -0.0883 -1.4246 C 0 0 0
- 1.4510 -1.0082 0.7651 C 0 0 0
- -0.5124 0.9883 0.0365 C 0 0 0
- -1.9581 -0.7876 -0.9793 C 0 0 0
- -1.2175 -0.9819 1.4139 C 0 0 0
- 0.9548 1.0968 -0.4005 C 0 0 1
- 1.7544 0.5073 0.8008 C 0 0 0
- -1.3192 1.9683 0.3600 C 0 0 0
- 0.3536 -2.0984 0.0000 H 0 0 0
- 1.6839 -0.7577 0.0000 H 0 0 0
- 1.8914 0.2874 0.0000 H 0 0 0
- 1.5024 -1.9299 0.0000 H 0 0 0
- 2.3718 -1.0736 0.0000 H 0 0 0
- -2.1867 0.1068 0.0000 H 0 0 0
- -2.8525 -1.0162 0.0000 H 0 0 0
- -1.7295 -1.6820 0.0000 H 0 0 0
- -1.9379 -0.4046 0.0000 H 0 0 0
- -1.7948 -1.7023 0.0000 H 0 0 0
- -0.4971 -1.5592 0.0000 H 0 0 0
- 1.2106 1.9838 0.0000 H 0 0 0
- 2.6236 0.1964 0.0000 H 0 0 0
- 2.1884 1.3221 0.0000 H 0 0 0
- -0.9953 2.8328 0.0000 H 0 0 0
- -2.2298 1.8165 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 2 7 1 0
- 3 8 1 0
- 4 9 1 0
- 5 10 2 0
- 5 8 1 0
- 8 9 1 0
- 1 11 1 0
- 3 12 1 0
- 3 13 1 0
- 4 14 1 0
- 4 15 1 0
- 6 16 1 0
- 6 17 1 0
- 6 18 1 0
- 7 19 1 0
- 7 20 1 0
- 7 21 1 0
- 8 22 1 0
- 9 23 1 0
- 9 24 1 0
- 10 25 1 0
- 10 26 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-8048-52-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 60 63 1 V2000
- -11.2930 0.7080 -0.0186 C 0 0 0
- -11.9799 -0.3780 0.5781 C 0 0 0
- -9.9818 0.5721 -0.4023 N 0 3 0
- -11.9572 1.9135 -0.2064 C 0 0 0
- -11.3179 -1.5970 0.7767 C 0 0 0
- -13.3265 -0.2245 0.9680 C 0 0 0
- -9.3178 -0.6152 -0.2147 C 0 0 0
- -9.2848 1.7040 -1.0180 C 0 0 0
- -13.2789 2.0417 0.1897 C 0 0 0
- -9.9796 -1.7188 0.3782 C 0 0 0
- -13.9575 0.9618 0.7699 C 0 0 0
- -7.9916 -0.7461 -0.6056 C 0 0 0
- -13.9393 3.2469 0.0007 N 0 0 0
- -9.2866 -2.9324 0.5638 C 0 0 0
- -7.3310 -1.9492 -0.4120 C 0 0 0
- -7.9898 -3.0383 0.1725 C 0 0 0
- -6.0062 -2.0767 -0.8035 N 0 0 0
- 6.7727 1.0836 -0.3249 C 0 0 0
- 6.0617 -0.0406 0.2928 C 0 0 0
- 8.0430 0.9607 -0.6996 N 0 0 0
- 6.0820 2.2974 -0.5068 C 0 0 0
- 6.7263 -1.2530 0.4893 C 0 0 0
- 4.7151 0.1238 0.6789 C 0 0 0
- 8.7096 -0.1780 -0.5290 C 0 0 0
- 4.7705 2.3981 -0.1047 C 0 0 0
- 8.0597 -1.3420 0.0822 C 0 0 0
- 4.0972 1.3136 0.4753 C 0 0 0
- 10.0541 -0.2927 -0.9304 C 0 0 0
- 4.0929 3.6012 -0.2873 N 0 0 0
- 8.7949 -2.5335 0.2489 C 0 0 0
- 10.7193 -1.4823 -0.7414 C 0 0 0
- 10.0883 -2.5885 -0.1562 C 0 0 0
- 12.0493 -1.5895 -1.1406 N 0 0 0
- 20.1033 0.9705 1.0136 Cl 0 0 0
- -11.4071 2.7495 0.0000 H 0 0 0
- -11.8680 -2.4330 0.0000 H 0 0 0
- -13.8897 -1.0517 0.0000 H 0 0 0
- -8.4327 1.1793 0.0000 H 0 0 0
- -8.7601 2.5561 0.0000 H 0 0 0
- -10.1369 2.2287 0.0000 H 0 0 0
- -14.9576 0.9979 0.0000 H 0 0 0
- -7.4402 0.0890 0.0000 H 0 0 0
- -13.4197 4.1022 0.0000 H 0 0 0
- -14.9398 3.2692 0.0000 H 0 0 0
- -9.8239 -3.7767 0.0000 H 0 0 0
- -7.5342 -3.9293 0.0000 H 0 0 0
- -5.5912 -2.9873 0.0000 H 0 0 0
- -5.4251 -1.2620 0.0000 H 0 0 0
- 6.6178 3.1426 0.0000 H 0 0 0
- 6.1880 -2.0966 0.0000 H 0 0 0
- 4.1446 -0.6984 0.0000 H 0 0 0
- 3.0972 1.3519 0.0000 H 0 0 0
- 10.5967 0.5482 0.0000 H 0 0 0
- 4.6025 4.4625 0.0000 H 0 0 0
- 3.0922 3.6119 0.0000 H 0 0 0
- 8.2888 -3.3968 0.0000 H 0 0 0
- 10.5724 -3.4643 0.0000 H 0 0 0
- 12.4784 -2.4936 0.0000 H 0 0 0
- 12.6177 -0.7658 0.0000 H 0 0 0
- 21.1040 0.9705 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 2 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 1 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 7 12 2 0
- 9 13 1 0
- 10 14 2 0
- 12 15 1 0
- 14 16 1 0
- 15 17 1 0
- 18 19 1 0
- 18 20 2 0
- 18 21 1 0
- 19 22 2 0
- 19 23 1 0
- 20 24 1 0
- 21 25 2 0
- 22 26 1 0
- 23 27 2 0
- 24 28 2 0
- 25 29 1 0
- 26 30 2 0
- 28 31 1 0
- 30 32 1 0
- 31 33 1 0
- 7 10 1 0
- 9 11 1 0
- 15 16 2 0
- 24 26 1 0
- 25 27 1 0
- 31 32 2 0
- 4 35 1 0
- 5 36 1 0
- 6 37 1 0
- 8 38 1 0
- 8 39 1 0
- 8 40 1 0
- 11 41 1 0
- 12 42 1 0
- 13 43 1 0
- 13 44 1 0
- 14 45 1 0
- 16 46 1 0
- 17 47 1 0
- 17 48 1 0
- 21 49 1 0
- 22 50 1 0
- 23 51 1 0
- 27 52 1 0
- 28 53 1 0
- 29 54 1 0
- 29 55 1 0
- 30 56 1 0
- 32 57 1 0
- 33 58 1 0
- 33 59 1 0
- 34 60 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-83-95-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 34 36 1 V2000
- 0.3310 0.4700 -0.1491 C 0 0 0
- -0.0572 -0.8907 -0.1575 C 0 0 0
- 1.7024 0.7882 -0.1317 C 0 0 0
- -0.5967 1.4330 -0.1631 N 0 0 0
- -1.4375 -1.2028 -0.1669 C 0 0 0
- 0.9178 -1.8981 -0.1549 C 0 0 0
- 2.6373 -0.2272 -0.1271 C 0 0 0
- 2.1035 2.0880 -0.1200 O 0 0 0
- -1.8925 1.1587 -0.1812 C 0 0 0
- -2.3302 -0.1700 -0.1701 C 0 0 0
- -1.8613 -2.4909 -0.1730 O 0 0 0
- 2.2384 -1.5650 -0.1395 C 0 0 0
- 3.9621 0.0790 -0.1102 O 0 0 0
- 2.2097 2.4752 1.2514 C 0 0 0
- -2.9491 2.0161 -0.2109 O 0 0 0
- -3.8460 -0.1394 -0.1664 C 0 0 0
- -1.9869 -2.8909 1.1931 C 0 0 0
- 4.6726 -1.1609 -0.1095 C 0 0 0
- -4.1349 1.3271 0.2179 C 0 0 0
- 0.6362 -2.8874 0.0000 H 0 0 0
- 2.9500 -2.3077 0.0000 H 0 0 0
- 3.2016 2.2031 0.0000 H 0 0 0
- 2.4818 3.4671 0.0000 H 0 0 0
- 1.2178 2.7473 0.0000 H 0 0 0
- -4.8668 -0.2655 0.0000 H 0 0 0
- -3.7932 -1.1666 0.0000 H 0 0 0
- -2.9682 -2.5828 0.0000 H 0 0 0
- -2.2950 -3.8722 0.0000 H 0 0 0
- -1.0056 -3.1990 0.0000 H 0 0 0
- 3.7802 -1.6723 0.0000 H 0 0 0
- 5.1840 -2.0533 0.0000 H 0 0 0
- 5.5650 -0.6495 0.0000 H 0 0 0
- -4.5503 2.2681 0.0000 H 0 0 0
- -5.1160 1.0181 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 3 8 1 0
- 4 9 2 0
- 5 10 2 0
- 5 11 1 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 9 15 1 0
- 10 16 1 0
- 11 17 1 0
- 13 18 1 0
- 15 19 1 0
- 7 12 1 0
- 9 10 1 0
- 16 19 1 0
- 6 20 1 0
- 12 21 1 0
- 14 22 1 0
- 14 23 1 0
- 14 24 1 0
- 16 25 1 0
- 16 26 1 0
- 17 27 1 0
- 17 28 1 0
- 17 29 1 0
- 18 30 1 0
- 18 31 1 0
- 18 32 1 0
- 19 33 1 0
- 19 34 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-86-54-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 20 21 1 V2000
- -0.2740 0.3514 0.4165 C 0 0 0
- -1.1255 -0.8769 0.1458 C 0 0 0
- 1.1993 0.2134 0.1329 C 0 0 0
- -0.8396 1.6884 0.0322 C 0 0 0
- -0.4691 -2.0451 -0.0538 C 0 0 0
- -2.5095 -0.6968 0.0266 C 0 0 0
- 1.6413 -1.0475 -0.0748 N 0 0 0
- 1.9981 1.2451 0.0908 N 0 0 0
- -2.1567 1.7402 -0.2286 C 0 0 0
- 0.8654 -2.0615 -0.1178 N 0 0 0
- -3.0012 0.5574 -0.1462 C 0 0 0
- 3.3614 1.0650 -0.1770 N 0 0 0
- -1.2790 0.4553 0.0000 H 0 0 0
- -0.2650 2.5194 0.0000 H 0 0 0
- -0.9847 -2.9140 0.0000 H 0 0 0
- -3.1316 -1.4929 0.0000 H 0 0 0
- -2.6014 2.6474 0.0000 H 0 0 0
- -4.0039 0.6816 0.0000 H 0 0 0
- 3.7476 0.1314 0.0000 H 0 0 0
- 3.9768 1.8663 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 2 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 2 0
- 5 10 1 0
- 6 11 2 0
- 8 12 1 0
- 7 10 2 0
- 9 11 1 0
- 1 13 1 0
- 4 14 1 0
- 5 15 1 0
- 6 16 1 0
- 9 17 1 0
- 11 18 1 0
- 12 19 1 0
- 12 20 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-868-14-4
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 17 15 1 V2000
- -2.1468 -0.4878 -0.6246 C 0 0 2
- -3.0704 -0.1432 0.5455 C 0 0 2
- -0.9348 -1.2202 -0.1089 C 0 0 0
- -1.7348 0.7151 -1.2765 O 0 0 0
- -4.2824 0.5892 0.0298 C 0 0 0
- -2.3719 0.6874 1.4751 O 0 0 0
- -1.0811 -2.3846 0.5427 O 0 0 0
- 0.1685 -0.7592 -0.2821 O 0 0 0
- -5.0225 0.0513 -0.7824 O 0 0 0
- -4.5263 1.7216 0.4235 O 0 0 0
- 9.1664 0.3747 0.0076 K 0 3 0
- -2.5299 -1.2802 0.0000 H 0 0 0
- -3.4535 -0.9356 0.0000 H 0 0 0
- -1.4496 1.5478 0.0000 H 0 0 0
- -1.8054 1.3610 0.0000 H 0 0 0
- -1.1908 -3.2579 0.0000 H 0 0 0
- -4.7116 2.5820 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 5 9 2 0
- 5 10 1 0
- 1 12 1 0
- 2 13 1 0
- 4 14 1 0
- 6 15 1 0
- 7 16 1 0
- 10 17 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-89925-00-8
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 14 14 1 V2000
- -1.0732 0.2670 -0.3806 C 0 0 0
- -2.4221 -0.4492 -0.4736 C 0 0 0
- -2.0097 0.2563 0.6987 O 0 0 0
- 0.0303 -0.7572 -0.1084 C 0 0 0
- 1.3588 -0.0518 -0.0168 C 0 0 0
- 2.4821 -0.7582 0.2193 N 0 0 0
- 1.4173 1.1516 -0.1556 O 0 0 0
- -0.7148 1.1955 0.0000 H 0 0 0
- -3.3994 -0.2613 0.0000 H 0 0 0
- -2.2743 -1.4334 0.0000 H 0 0 0
- -0.7237 -1.4068 0.0000 H 0 0 0
- 0.5919 -1.5788 0.0000 H 0 0 0
- 2.4445 -1.7527 0.0000 H 0 0 0
- 3.3622 -0.2935 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 4 5 1 0
- 5 6 1 0
- 5 7 2 0
- 2 3 1 0
- 1 8 1 0
- 2 9 1 0
- 2 10 1 0
- 4 11 1 0
- 4 12 1 0
- 6 13 1 0
- 6 14 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-89930-60-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 61 63 1 V2000
- -6.5055 -0.7718 -0.4382 C 0 0 0
- -7.4452 0.1561 -0.9007 C 0 0 0
- -5.2033 -0.4527 0.1485 C 0 0 0
- -6.6462 -2.1640 -0.4623 C 0 0 0
- -7.0473 1.5936 -0.7922 C 0 0 2
- -8.5934 -0.3755 -1.3927 C 0 0 0
- -4.8160 0.9983 0.3097 C 0 0 0
- -4.6438 -1.6195 0.4264 C 0 0 0
- -5.4917 -2.6567 0.0671 N 0 0 0
- -7.8343 -2.6777 -0.9792 C 0 0 0
- -6.1166 1.8046 0.4035 C 0 0 1
- -8.2450 2.4886 -0.6507 C 0 0 0
- -8.7752 -1.7576 -1.4220 C 0 0 0
- -5.1878 -4.0803 0.2313 C 0 0 0
- -5.8319 3.2359 0.5376 N 0 0 0
- -8.2382 3.5035 0.1660 C 0 0 0
- -5.6742 -4.5506 1.6036 C 0 0 0
- -7.0649 3.8607 1.0293 C 0 0 0
- -4.8349 3.3696 1.6082 C 0 0 0
- -9.4732 4.3634 0.2472 C 0 0 0
- -5.3568 -6.0375 1.7751 C 0 0 0
- 12.2562 -0.3840 0.3361 C 0 0 2
- 11.2288 0.6306 -0.1696 C 0 0 2
- 13.4640 0.3454 0.8655 C 0 0 0
- 12.6497 -1.2395 -0.7388 O 0 0 0
- 10.0210 -0.0989 -0.6990 C 0 0 0
- 11.8079 1.4143 -1.2148 O 0 0 0
- 13.3329 1.2095 1.8843 O 0 0 0
- 14.5502 0.1525 0.3729 O 0 0 0
- 9.3128 -0.9011 0.1114 O 0 0 0
- 9.6901 0.0384 -1.8530 O 0 0 0
- -6.8414 2.5624 0.0000 H 0 0 0
- -9.3914 0.2112 0.0000 H 0 0 0
- -3.8886 0.6504 0.0000 H 0 0 0
- -4.3790 1.8872 0.0000 H 0 0 0
- -3.6604 -1.7372 0.0000 H 0 0 0
- -8.0146 -3.6516 0.0000 H 0 0 0
- -6.2803 0.8278 0.0000 H 0 0 0
- -9.1320 2.0478 0.0000 H 0 0 0
- -9.7113 -2.0813 0.0000 H 0 0 0
- -4.6429 -4.9074 0.0000 H 0 0 0
- -4.2741 -3.6979 0.0000 H 0 0 0
- -6.2191 -3.7235 0.0000 H 0 0 0
- -6.5879 -4.9330 0.0000 H 0 0 0
- -6.3987 4.5936 0.0000 H 0 0 0
- -7.5946 4.6976 0.0000 H 0 0 0
- -4.7033 2.3879 0.0000 H 0 0 0
- -3.8532 3.5012 0.0000 H 0 0 0
- -4.9665 4.3513 0.0000 H 0 0 0
- -8.9072 5.1762 0.0000 H 0 0 0
- -10.2860 4.9294 0.0000 H 0 0 0
- -10.0392 3.5506 0.0000 H 0 0 0
- -6.3254 -6.2443 0.0000 H 0 0 0
- -5.1500 -7.0061 0.0000 H 0 0 0
- -4.3882 -5.8307 0.0000 H 0 0 0
- 11.4452 -0.9525 0.0000 H 0 0 0
- 10.5618 1.3628 0.0000 H 0 0 0
- 13.0636 -2.1393 0.0000 H 0 0 0
- 12.3965 2.2109 0.0000 H 0 0 0
- 13.1843 2.1888 0.0000 H 0 0 0
- 8.6573 -1.6436 0.0000 H 0 0 0
- 1 2 2 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 5 12 1 0
- 6 13 2 0
- 9 14 1 0
- 11 15 1 0
- 12 16 2 0
- 14 17 1 0
- 15 18 1 0
- 15 19 1 0
- 16 20 1 0
- 17 21 1 0
- 22 23 1 0
- 22 24 1 0
- 22 25 1 0
- 23 26 1 0
- 23 27 1 0
- 24 28 1 0
- 24 29 2 0
- 26 30 1 0
- 26 31 2 0
- 7 11 1 0
- 8 9 1 0
- 10 13 1 0
- 16 18 1 0
- 5 32 1 0
- 6 33 1 0
- 7 34 1 0
- 7 35 1 0
- 8 36 1 0
- 10 37 1 0
- 11 38 1 0
- 12 39 1 0
- 13 40 1 0
- 14 41 1 0
- 14 42 1 0
- 17 43 1 0
- 17 44 1 0
- 18 45 1 0
- 18 46 1 0
- 19 47 1 0
- 19 48 1 0
- 19 49 1 0
- 20 50 1 0
- 20 51 1 0
- 20 52 1 0
- 21 53 1 0
- 21 54 1 0
- 21 55 1 0
- 22 56 1 0
- 23 57 1 0
- 25 58 1 0
- 27 59 1 0
- 28 60 1 0
- 30 61 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-9002-92-0
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 88 87 1 V2000
- -0.4000 3.5300 -1.1259 C 0 0 0
- -1.1002 2.4670 -1.9748 C 0 0 0
- 0.7083 2.9404 -0.4432 O 0 0 0
- -1.5672 1.4139 -1.1293 O 0 0 0
- 1.3176 3.9776 0.3281 C 0 0 0
- -2.2082 0.4578 -1.9761 C 0 0 0
- 2.5179 3.4098 1.0882 C 0 0 0
- -2.7340 -0.7024 -1.1287 C 0 0 0
- 3.4679 2.8880 0.1570 O 0 0 0
- -3.6738 -0.2067 -0.1731 O 0 0 0
- 4.5593 2.3754 0.9238 C 0 0 0
- -4.1260 -1.3316 0.5834 C 0 0 0
- 5.6179 1.7984 -0.0182 C 0 0 0
- -5.1406 -0.8674 1.6304 C 0 0 0
- 6.7865 1.2495 0.8029 C 0 0 0
- -6.2536 -0.2547 0.9763 O 0 0 0
- 7.8450 0.6725 -0.1391 C 0 0 0
- -7.1607 0.1552 2.0015 C 0 0 0
- 9.0136 0.1236 0.6819 C 0 0 0
- -8.3816 0.8227 1.3652 C 0 0 0
- 10.0722 -0.4533 -0.2601 C 0 0 0
- -9.0331 -0.1058 0.4960 O 0 0 0
- 11.2407 -1.0022 0.5609 C 0 0 0
- -10.1587 0.5731 -0.0645 C 0 0 0
- 12.2993 -1.5792 -0.3811 C 0 0 0
- -10.9043 -0.3705 -1.0103 C 0 0 0
- 13.4679 -2.1281 0.4400 C 0 0 0
- -11.3525 -1.5167 -0.2839 O 0 0 0
- 14.5264 -2.7050 -0.5020 C 0 0 0
- -12.0374 -2.3549 -1.2167 C 0 0 0
- 15.6950 -3.2539 0.3190 C 0 0 0
- -12.5457 -3.6072 -0.4994 C 0 0 0
- 16.7536 -3.8309 -0.6230 C 0 0 0
- -13.4421 -3.2263 0.5463 O 0 0 0
- 0.0494 4.3147 0.0000 H 0 0 0
- -1.1703 4.0036 0.0000 H 0 0 0
- -1.5493 3.2518 0.0000 H 0 0 0
- -2.0032 2.4207 0.0000 H 0 0 0
- 1.7284 4.7831 0.0000 H 0 0 0
- 0.5247 4.4122 0.0000 H 0 0 0
- -2.6509 1.2462 0.0000 H 0 0 0
- -3.1116 0.4189 0.0000 H 0 0 0
- 3.2816 3.8940 0.0000 H 0 0 0
- 2.4622 4.3123 0.0000 H 0 0 0
- -3.1398 -1.5105 0.0000 H 0 0 0
- -1.9180 -1.0920 0.0000 H 0 0 0
- 5.3215 2.8619 0.0000 H 0 0 0
- 4.5010 3.2777 0.0000 H 0 0 0
- -4.4893 -2.1596 0.0000 H 0 0 0
- -3.2924 -1.6819 0.0000 H 0 0 0
- 4.8557 1.3119 0.0000 H 0 0 0
- 5.6762 0.8961 0.0000 H 0 0 0
- -5.9025 -1.3543 0.0000 H 0 0 0
- -5.0775 -1.7694 0.0000 H 0 0 0
- 7.5487 1.7360 0.0000 H 0 0 0
- 6.7282 2.1518 0.0000 H 0 0 0
- 7.0828 0.1860 0.0000 H 0 0 0
- 7.9033 -0.2298 0.0000 H 0 0 0
- -7.9209 -0.3344 0.0000 H 0 0 0
- -7.0940 -0.7466 0.0000 H 0 0 0
- 9.7758 0.6102 0.0000 H 0 0 0
- 8.9553 1.0259 0.0000 H 0 0 0
- -7.9186 1.5994 0.0000 H 0 0 0
- -9.1406 1.3142 0.0000 H 0 0 0
- 9.3100 -0.9399 0.0000 H 0 0 0
- 10.1305 -1.3556 0.0000 H 0 0 0
- 12.0029 -0.5157 0.0000 H 0 0 0
- 11.1824 -0.0999 0.0000 H 0 0 0
- -9.6596 1.3271 0.0000 H 0 0 0
- -10.8911 1.1034 0.0000 H 0 0 0
- 11.5371 -2.0657 0.0000 H 0 0 0
- 12.3576 -2.4815 0.0000 H 0 0 0
- -11.3196 0.4327 0.0000 H 0 0 0
- -11.8073 -0.4177 0.0000 H 0 0 0
- 14.2301 -1.6416 0.0000 H 0 0 0
- 13.4096 -1.2258 0.0000 H 0 0 0
- 13.7642 -3.1915 0.0000 H 0 0 0
- 14.5847 -3.6073 0.0000 H 0 0 0
- -12.4404 -1.5454 0.0000 H 0 0 0
- -12.9410 -2.3894 0.0000 H 0 0 0
- 16.4572 -2.7674 0.0000 H 0 0 0
- 15.6367 -2.3516 0.0000 H 0 0 0
- -12.8948 -4.4413 0.0000 H 0 0 0
- -11.7097 -3.9518 0.0000 H 0 0 0
- 16.3208 -4.6249 0.0000 H 0 0 0
- 17.5476 -4.2637 0.0000 H 0 0 0
- 17.1863 -3.0369 0.0000 H 0 0 0
- -14.2743 -2.8727 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 2 4 1 0
- 3 5 1 0
- 4 6 1 0
- 5 7 1 0
- 6 8 1 0
- 7 9 1 0
- 8 10 1 0
- 9 11 1 0
- 10 12 1 0
- 11 13 1 0
- 12 14 1 0
- 13 15 1 0
- 14 16 1 0
- 15 17 1 0
- 16 18 1 0
- 17 19 1 0
- 18 20 1 0
- 19 21 1 0
- 20 22 1 0
- 21 23 1 0
- 22 24 1 0
- 23 25 1 0
- 24 26 1 0
- 25 27 1 0
- 26 28 1 0
- 27 29 1 0
- 28 30 1 0
- 29 31 1 0
- 30 32 1 0
- 31 33 1 0
- 32 34 1 0
- 1 35 1 0
- 1 36 1 0
- 2 37 1 0
- 2 38 1 0
- 5 39 1 0
- 5 40 1 0
- 6 41 1 0
- 6 42 1 0
- 7 43 1 0
- 7 44 1 0
- 8 45 1 0
- 8 46 1 0
- 11 47 1 0
- 11 48 1 0
- 12 49 1 0
- 12 50 1 0
- 13 51 1 0
- 13 52 1 0
- 14 53 1 0
- 14 54 1 0
- 15 55 1 0
- 15 56 1 0
- 17 57 1 0
- 17 58 1 0
- 18 59 1 0
- 18 60 1 0
- 19 61 1 0
- 19 62 1 0
- 20 63 1 0
- 20 64 1 0
- 21 65 1 0
- 21 66 1 0
- 23 67 1 0
- 23 68 1 0
- 24 69 1 0
- 24 70 1 0
- 25 71 1 0
- 25 72 1 0
- 26 73 1 0
- 26 74 1 0
- 27 75 1 0
- 27 76 1 0
- 29 77 1 0
- 29 78 1 0
- 30 79 1 0
- 30 80 1 0
- 31 81 1 0
- 31 82 1 0
- 32 83 1 0
- 32 84 1 0
- 33 85 1 0
- 33 86 1 0
- 33 87 1 0
- 34 88 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-90597-22-1
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 30 31 1 V2000
- 0.4795 -0.4867 0.3916 C 0 0 2
- -0.9004 -0.0943 0.0946 N 0 0 0
- 1.3254 0.7510 0.5807 C 0 0 0
- 1.0900 -1.1958 -0.8395 C 0 0 1
- -1.9013 -0.5122 0.8911 C 0 0 0
- -1.1631 0.6966 -0.9835 C 0 0 0
- 2.4491 0.6572 -0.0769 C 0 0 0
- 2.5398 -0.6587 -0.8141 C 0 0 1
- 1.1012 -2.6076 -0.6190 O 0 0 0
- -3.1647 -0.1708 0.6442 N 0 0 0
- -1.6473 -1.2156 1.8548 O 0 0 0
- -2.4425 1.0525 -1.2477 C 0 0 0
- 3.5156 1.7217 -0.0984 C 0 0 0
- 3.3691 -1.5605 -0.0785 O 0 0 0
- -3.4689 0.5930 -0.3969 C 0 0 0
- 3.1005 2.8281 0.7051 O 0 0 0
- -4.7775 0.9389 -0.6423 N 0 0 0
- -0.0321 -1.2874 0.0000 H 0 0 0
- 0.9172 1.6091 0.0000 H 0 0 0
- 0.2005 -1.5300 0.0000 H 0 0 0
- -0.5080 1.3849 0.0000 H 0 0 0
- 3.4127 -0.2833 0.0000 H 0 0 0
- 1.1087 -3.5578 0.0000 H 0 0 0
- -2.5135 2.0000 0.0000 H 0 0 0
- 4.0850 0.9610 0.0000 H 0 0 0
- 4.3491 2.1779 0.0000 H 0 0 0
- 4.0123 -2.2599 0.0000 H 0 0 0
- 2.7667 3.7177 0.0000 H 0 0 0
- -5.0265 1.8559 0.0000 H 0 0 0
- -5.4471 0.2647 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 1 0
- 3 7 2 0
- 4 8 1 0
- 4 9 1 0
- 5 10 1 0
- 5 11 2 0
- 6 12 2 0
- 7 13 1 0
- 8 14 1 0
- 10 15 2 0
- 13 16 1 0
- 15 17 1 0
- 7 8 1 0
- 12 15 1 0
- 1 18 1 0
- 3 19 1 0
- 4 20 1 0
- 6 21 1 0
- 8 22 1 0
- 9 23 1 0
- 12 24 1 0
- 13 25 1 0
- 13 26 1 0
- 14 27 1 0
- 16 28 1 0
- 17 29 1 0
- 17 30 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-924-43-6
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 16 15 1 V2000
- 0.8588 -0.5040 -0.3115 C 0 0 0
- -0.4295 -0.2556 0.3106 O 0 0 0
- 1.8864 0.4929 0.2281 C 0 0 0
- 1.3137 -1.9292 0.0092 C 0 0 0
- -1.3921 0.0341 -0.3771 N 0 0 0
- 1.4315 1.9180 -0.0926 C 0 0 0
- -2.4727 0.2425 0.1448 O 0 0 0
- 0.5647 0.4820 0.0000 H 0 0 0
- 2.4813 -0.3466 0.0000 H 0 0 0
- 2.8071 0.9522 0.0000 H 0 0 0
- 0.3335 -2.2421 0.0000 H 0 0 0
- 1.6266 -2.9094 0.0000 H 0 0 0
- 2.2939 -1.6163 0.0000 H 0 0 0
- 2.4117 2.2309 0.0000 H 0 0 0
- 1.1186 2.8982 0.0000 H 0 0 0
- 0.4513 1.6051 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 3 6 1 0
- 5 7 2 0
- 1 8 1 0
- 3 9 1 0
- 3 10 1 0
- 4 11 1 0
- 4 12 1 0
- 4 13 1 0
- 6 14 1 0
- 6 15 1 0
- 6 16 1 0
-M END
-> <Ames test categorisation>
-mutagen
-
-$$$$
-97534-21-9
-Prepared by Jeroen Kazius, Ross McGuire and Roberta Bursi.
-
- 27 28 1 V2000
- 0.7923 0.2032 -1.0604 C 0 0 0
- -0.5959 0.4471 -0.5271 C 0 0 0
- 1.7005 1.3460 -0.6478 C 0 0 0
- 1.2471 -1.1899 -0.6681 C 0 0 0
- -1.5778 -0.4432 -0.7714 N 0 0 0
- -0.8296 1.4447 0.1220 O 0 0 0
- 2.8273 1.0349 0.0275 N 0 0 0
- 1.4249 2.4961 -0.9148 O 0 0 0
- 2.4099 -1.2991 0.0087 N 0 0 0
- 0.5903 -2.1688 -0.9516 O 0 0 0
- -2.8307 -0.2861 -0.1684 C 0 0 0
- 3.1460 -0.2289 0.3295 C 0 0 0
- -3.7996 -1.2710 -0.3101 C 0 0 0
- -3.1059 0.8522 0.5776 C 0 0 0
- 4.6021 -0.4962 1.1894 S 0 0 0
- -5.0351 -1.1129 0.2862 C 0 0 0
- -4.3437 1.0043 1.1715 C 0 0 0
- -5.3081 0.0247 1.0238 C 0 0 0
- 1.7244 0.0355 0.0000 H 0 0 0
- -1.2926 -1.3463 0.0000 H 0 0 0
- 3.5044 1.6970 0.0000 H 0 0 0
- 2.8110 -2.1570 0.0000 H 0 0 0
- -3.4899 -2.1660 0.0000 H 0 0 0
- -2.4758 1.5592 0.0000 H 0 0 0
- -5.6675 -1.8178 0.0000 H 0 0 0
- -4.6555 1.8985 0.0000 H 0 0 0
- -6.2206 0.2782 0.0000 H 0 0 0
- 1 2 1 0
- 1 3 1 0
- 1 4 1 0
- 2 5 1 0
- 2 6 2 0
- 3 7 1 0
- 3 8 2 0
- 4 9 1 0
- 4 10 2 0
- 5 11 1 0
- 7 12 1 0
- 11 13 1 0
- 11 14 2 0
- 12 15 2 0
- 13 16 2 0
- 14 17 1 0
- 16 18 1 0
- 9 12 1 0
- 17 18 2 0
- 1 19 1 0
- 5 20 1 0
- 7 21 1 0
- 9 22 1 0
- 13 23 1 0
- 14 24 1 0
- 16 25 1 0
- 17 26 1 0
- 18 27 1 0
-M END
-> <Ames test categorisation>
-nonmutagen
-
-$$$$
-
diff --git a/models/mutagenicity/parts/cas_4337.zip b/models/mutagenicity/parts/cas_4337.zip
deleted file mode 100644
index 2d36c66..0000000
--- a/models/mutagenicity/parts/cas_4337.zip
+++ /dev/null
Binary files differ
diff --git a/models/mutagenicity/parts/efsa.csv b/models/mutagenicity/parts/efsa.csv
deleted file mode 100644
index b533b04..0000000
--- a/models/mutagenicity/parts/efsa.csv
+++ /dev/null
@@ -1 +0,0 @@
-ID,SMILES,Mutagenicity
diff --git a/models/mutagenicity/parts/efsa.tsv b/models/mutagenicity/parts/efsa.tsv
deleted file mode 100644
index e69de29..0000000
--- a/models/mutagenicity/parts/efsa.tsv
+++ /dev/null
diff --git a/models/mutagenicity/parts/efsa.xls b/models/mutagenicity/parts/efsa.xls
deleted file mode 100644
index 1372372..0000000
--- a/models/mutagenicity/parts/efsa.xls
+++ /dev/null
Binary files differ
diff --git a/models/mutagenicity/parts/toxicity_data.xlsx b/models/mutagenicity/parts/toxicity_data.xlsx
deleted file mode 100644
index 19432dd..0000000
--- a/models/mutagenicity/parts/toxicity_data.xlsx
+++ /dev/null
Binary files differ
generated by cgit v1.2.3 (git 2.25.1) at 2024-04-19 21:28:46 +0000